1 VAL 37 N -0.0106 -0.0039 -0.0110 2 VAL 37 CA -0.0088 -0.0033 -0.0094 3 VAL 37 C -0.0063 -0.0029 -0.0084 4 VAL 37 O -0.0040 -0.0026 -0.0079 5 VAL 37 CB -0.0079 -0.0037 -0.0112 6 VAL 37 CG1 -0.0103 -0.0039 -0.0114 7 VAL 37 CG2 -0.0071 -0.0043 -0.0142 8 LEU 38 N -0.0069 -0.0029 -0.0081 9 LEU 38 CA -0.0048 -0.0025 -0.0072 10 LEU 38 C -0.0040 -0.0018 -0.0041 11 LEU 38 O -0.0015 -0.0014 -0.0034 12 LEU 38 CB -0.0058 -0.0027 -0.0077 13 LEU 38 CG -0.0053 -0.0033 -0.0105 14 LEU 38 CD1 -0.0022 -0.0032 -0.0110 15 LEU 38 CD2 -0.0065 -0.0040 -0.0131 16 TYR 39 N -0.0062 -0.0015 -0.0023 17 TYR 39 CA -0.0060 -0.0008 0.0008 18 TYR 39 C -0.0041 -0.0003 0.0023 19 TYR 39 O -0.0018 0.0001 0.0034 20 TYR 39 CB -0.0048 -0.0006 0.0013 21 TYR 39 CG -0.0068 -0.0009 0.0006 22 TYR 39 CD1 -0.0090 -0.0007 0.0024 23 TYR 39 CD2 -0.0064 -0.0015 -0.0019 24 TYR 39 CE1 -0.0109 -0.0010 0.0017 25 TYR 39 CE2 -0.0082 -0.0018 -0.0026 26 TYR 39 CZ -0.0105 -0.0015 -0.0008 27 TYR 39 OH -0.0123 -0.0018 -0.0015 28 VAL 40 N -0.0052 -0.0004 0.0023 29 VAL 40 CA -0.0037 0.0000 0.0037 30 VAL 40 C -0.0041 0.0007 0.0069 31 VAL 40 O -0.0021 0.0013 0.0085 32 VAL 40 CB -0.0048 -0.0003 0.0026 33 VAL 40 CG1 -0.0034 0.0002 0.0041 34 VAL 40 CG2 -0.0043 -0.0010 -0.0006 35 GLY 41 N -0.0018 0.0047 0.0067 36 GLY 41 CA -0.0020 0.0057 0.0060 37 GLY 41 C -0.0026 0.0061 0.0033 38 GLY 41 O -0.0027 0.0081 0.0025 39 SER 42 N -0.0031 0.0042 0.0019 40 SER 42 CA -0.0037 0.0046 -0.0007 41 SER 42 C -0.0040 0.0053 -0.0020 42 SER 42 O -0.0043 0.0069 -0.0036 43 SER 42 CB -0.0041 0.0022 -0.0017 44 SER 42 OG -0.0047 0.0025 -0.0042 45 LYS 43 N -0.0039 0.0043 -0.0013 46 LYS 43 CA -0.0040 0.0052 -0.0020 47 LYS 43 C -0.0036 0.0042 -0.0003 48 LYS 43 O -0.0037 0.0020 -0.0000 49 LYS 43 CB -0.0047 0.0045 -0.0046 50 LYS 43 CG -0.0048 0.0057 -0.0055 51 LYS 43 CD -0.0055 0.0050 -0.0080 52 LYS 43 CE -0.0056 0.0065 -0.0089 53 LYS 43 NZ -0.0053 0.0058 -0.0076 54 THR 44 N -0.0032 0.0059 0.0010 55 THR 44 CA -0.0029 0.0052 0.0025 56 THR 44 C -0.0030 0.0066 0.0016 57 THR 44 O -0.0031 0.0086 0.0006 58 THR 44 CB -0.0022 0.0057 0.0051 59 THR 44 OG1 -0.0019 0.0083 0.0054 60 THR 44 CG2 -0.0021 0.0044 0.0060 61 LYS 45 N -0.0025 0.0051 0.0007 62 LYS 45 CA -0.0025 0.0060 0.0002 63 LYS 45 C -0.0023 0.0049 0.0017 64 LYS 45 O -0.0025 0.0030 0.0013 65 LYS 45 CB -0.0029 0.0056 -0.0022 66 LYS 45 CG -0.0029 0.0068 -0.0029 67 LYS 45 CD -0.0033 0.0066 -0.0054 68 LYS 45 CE -0.0033 0.0078 -0.0061 69 LYS 45 NZ -0.0037 0.0078 -0.0085 70 GLU 46 N -0.0020 0.0060 0.0035 71 GLU 46 CA -0.0018 0.0049 0.0053 72 GLU 46 C -0.0016 0.0063 0.0063 73 GLU 46 O -0.0013 0.0081 0.0071 74 GLU 46 CB -0.0016 0.0041 0.0070 75 GLU 46 CG -0.0014 0.0058 0.0077 76 GLU 46 CD -0.0012 0.0048 0.0090 77 GLU 46 OE1 -0.0013 0.0028 0.0092 78 GLU 46 OE2 -0.0011 0.0060 0.0098 79 GLY 47 N -0.0016 0.0055 0.0064 80 GLY 47 CA -0.0014 0.0068 0.0071 81 GLY 47 C -0.0016 0.0082 0.0054 82 GLY 47 O -0.0014 0.0101 0.0058 83 VAL 48 N -0.0019 0.0074 0.0034 84 VAL 48 CA -0.0021 0.0087 0.0015 85 VAL 48 C -0.0023 0.0078 0.0005 86 VAL 48 O -0.0025 0.0059 0.0003 87 VAL 48 CB -0.0024 0.0086 -0.0002 88 VAL 48 CG1 -0.0026 0.0099 -0.0022 89 VAL 48 CG2 -0.0022 0.0094 0.0008 90 VAL 49 N -0.0016 0.0090 0.0015 91 VAL 49 CA -0.0010 0.0079 0.0016 92 VAL 49 C -0.0006 0.0083 0.0008 93 VAL 49 O -0.0011 0.0092 0.0008 94 VAL 49 CB -0.0016 0.0073 0.0027 95 VAL 49 CG1 -0.0011 0.0064 0.0027 96 VAL 49 CG2 -0.0019 0.0067 0.0034 97 HIS 50 N 0.0004 0.0078 0.0001 98 HIS 50 CA 0.0008 0.0082 -0.0007 99 HIS 50 C 0.0017 0.0072 -0.0010 100 HIS 50 O 0.0023 0.0065 -0.0013 101 HIS 50 CB 0.0010 0.0093 -0.0017 102 HIS 50 CG 0.0017 0.0091 -0.0024 103 HIS 50 ND1 0.0026 0.0087 -0.0032 104 HIS 50 CD2 0.0016 0.0092 -0.0024 105 HIS 50 CE1 0.0031 0.0086 -0.0037 106 HIS 50 NE2 0.0025 0.0089 -0.0032 107 GLY 51 N 0.0018 0.0071 -0.0011 108 GLY 51 CA 0.0026 0.0062 -0.0014 109 GLY 51 C 0.0026 0.0050 -0.0005 110 GLY 51 O 0.0032 0.0041 -0.0006 111 VAL 52 N 0.0019 0.0049 0.0003 112 VAL 52 CA 0.0017 0.0039 0.0013 113 VAL 52 C 0.0018 0.0035 0.0014 114 VAL 52 O 0.0013 0.0043 0.0014 115 VAL 52 CB 0.0008 0.0040 0.0023 116 VAL 52 CG1 0.0006 0.0029 0.0032 117 VAL 52 CG2 0.0007 0.0042 0.0021 118 ALA 53 N 0.0039 0.0017 0.0002 119 ALA 53 CA 0.0038 0.0019 0.0004 120 ALA 53 C 0.0039 0.0013 0.0013 121 ALA 53 O 0.0042 0.0006 0.0015 122 ALA 53 CB 0.0040 0.0016 -0.0005 123 THR 54 N 0.0036 0.0017 0.0019 124 THR 54 CA 0.0037 0.0013 0.0028 125 THR 54 C 0.0035 0.0016 0.0030 126 THR 54 O 0.0031 0.0024 0.0030 127 THR 54 CB 0.0034 0.0016 0.0036 128 THR 54 OG1 0.0036 0.0013 0.0034 129 THR 54 CG2 0.0035 0.0012 0.0046 130 VAL 55 N 0.0038 0.0009 0.0033 131 VAL 55 CA 0.0037 0.0011 0.0036 132 VAL 55 C 0.0037 0.0006 0.0046 133 VAL 55 O 0.0041 -0.0002 0.0047 134 VAL 55 CB 0.0039 0.0008 0.0029 135 VAL 55 CG1 0.0038 0.0008 0.0032 136 VAL 55 CG2 0.0038 0.0013 0.0019 137 ALA 56 N 0.0034 0.0011 0.0053 138 ALA 56 CA 0.0034 0.0007 0.0062 139 ALA 56 C 0.0033 0.0009 0.0065 140 ALA 56 O 0.0029 0.0017 0.0067 141 ALA 56 CB 0.0032 0.0010 0.0070 142 GLU 57 N 0.0015 0.0015 0.0063 143 GLU 57 CA 0.0012 0.0009 0.0078 144 GLU 57 C 0.0012 0.0004 0.0089 145 GLU 57 O 0.0024 -0.0000 0.0091 146 GLU 57 CB 0.0024 0.0005 0.0081 147 GLU 57 CG 0.0024 0.0009 0.0072 148 GLU 57 CD 0.0036 0.0005 0.0076 149 GLU 57 OE1 0.0046 -0.0001 0.0085 150 GLU 57 OE2 0.0036 0.0008 0.0070 151 LYS 58 N -0.0002 0.0003 0.0096 152 LYS 58 CA -0.0005 -0.0001 0.0105 153 LYS 58 C -0.0013 -0.0006 0.0120 154 LYS 58 O -0.0027 -0.0004 0.0121 155 LYS 58 CB -0.0014 0.0005 0.0098 156 LYS 58 CG -0.0005 0.0009 0.0084 157 LYS 58 CD -0.0015 0.0014 0.0078 158 LYS 58 CE -0.0006 0.0019 0.0064 159 LYS 58 NZ -0.0015 0.0024 0.0058 160 THR 59 N -0.0004 -0.0013 0.0132 161 THR 59 CA -0.0011 -0.0019 0.0146 162 THR 59 C -0.0024 -0.0020 0.0153 163 THR 59 O -0.0036 -0.0021 0.0160 164 THR 59 CB 0.0002 -0.0026 0.0156 165 THR 59 OG1 0.0014 -0.0025 0.0149 166 THR 59 CG2 -0.0004 -0.0032 0.0171 167 LYS 60 N -0.0022 -0.0019 0.0150 168 LYS 60 CA -0.0034 -0.0019 0.0155 169 LYS 60 C -0.0033 -0.0014 0.0145 170 LYS 60 O -0.0021 -0.0016 0.0144 171 LYS 60 CB -0.0031 -0.0027 0.0171 172 LYS 60 CG -0.0045 -0.0027 0.0178 173 LYS 60 CD -0.0042 -0.0035 0.0194 174 LYS 60 CE -0.0056 -0.0036 0.0201 175 LYS 60 NZ -0.0054 -0.0044 0.0217 176 GLU 61 N -0.0030 -0.0034 0.0127 177 GLU 61 CA -0.0027 -0.0030 0.0105 178 GLU 61 C -0.0028 -0.0042 0.0083 179 GLU 61 O -0.0035 -0.0064 0.0082 180 GLU 61 CB -0.0030 -0.0040 0.0106 181 GLU 61 CG -0.0026 -0.0036 0.0083 182 GLU 61 CD -0.0030 -0.0045 0.0085 183 GLU 61 OE1 -0.0035 -0.0055 0.0105 184 GLU 61 OE2 -0.0027 -0.0043 0.0067 185 GLN 62 N -0.0022 -0.0028 0.0066 186 GLN 62 CA -0.0023 -0.0037 0.0045 187 GLN 62 C -0.0018 -0.0029 0.0021 188 GLN 62 O -0.0010 -0.0007 0.0017 189 GLN 62 CB -0.0020 -0.0027 0.0048 190 GLN 62 CG -0.0021 -0.0037 0.0028 191 GLN 62 CD -0.0019 -0.0028 0.0032 192 GLN 62 OE1 -0.0016 -0.0015 0.0050 193 GLN 62 NE2 -0.0020 -0.0036 0.0015 194 VAL 63 N -0.0022 -0.0046 0.0005 195 VAL 63 CA -0.0018 -0.0041 -0.0020 196 VAL 63 C -0.0021 -0.0054 -0.0039 197 VAL 63 O -0.0027 -0.0076 -0.0044 198 VAL 63 CB -0.0020 -0.0048 -0.0021 199 VAL 63 CG1 -0.0016 -0.0043 -0.0047 200 VAL 63 CG2 -0.0018 -0.0035 -0.0001 201 THR 64 N -0.0015 -0.0042 -0.0052 202 THR 64 CA -0.0017 -0.0053 -0.0070 203 THR 64 C -0.0010 -0.0040 -0.0094 204 THR 64 O -0.0004 -0.0020 -0.0096 205 THR 64 CB -0.0018 -0.0053 -0.0062 206 THR 64 OG1 -0.0010 -0.0029 -0.0062 207 THR 64 CG2 -0.0023 -0.0062 -0.0036 208 ASN 65 N 0.0064 -0.0082 -0.0138 209 ASN 65 CA 0.0054 -0.0060 -0.0165 210 ASN 65 C 0.0071 -0.0082 -0.0210 211 ASN 65 O 0.0093 -0.0118 -0.0214 212 ASN 65 CB 0.0046 -0.0052 -0.0134 213 ASN 65 CG 0.0067 -0.0088 -0.0122 214 ASN 65 OD1 0.0087 -0.0119 -0.0145 215 ASN 65 ND2 0.0060 -0.0084 -0.0085 216 VAL 66 N 0.0062 -0.0061 -0.0244 217 VAL 66 CA 0.0077 -0.0081 -0.0283 218 VAL 66 C 0.0070 -0.0068 -0.0285 219 VAL 66 O 0.0049 -0.0034 -0.0274 220 VAL 66 CB 0.0077 -0.0072 -0.0331 221 VAL 66 CG1 0.0079 -0.0076 -0.0326 222 VAL 66 CG2 0.0057 -0.0034 -0.0357 223 GLY 67 N 0.0088 -0.0097 -0.0295 224 GLY 67 CA 0.0084 -0.0089 -0.0300 225 GLY 67 C 0.0073 -0.0077 -0.0257 226 GLY 67 O 0.0070 -0.0071 -0.0260 227 GLY 68 N 0.0066 -0.0073 -0.0217 228 GLY 68 CA 0.0052 -0.0055 -0.0177 229 GLY 68 C 0.0063 -0.0081 -0.0132 230 GLY 68 O 0.0082 -0.0113 -0.0132 231 ALA 69 N 0.0036 -0.0011 -0.0100 232 ALA 69 CA 0.0034 -0.0025 -0.0083 233 ALA 69 C 0.0023 -0.0015 -0.0065 234 ALA 69 O 0.0018 -0.0005 -0.0062 235 ALA 69 CB 0.0039 -0.0038 -0.0083 236 VAL 70 N 0.0019 -0.0018 -0.0053 237 VAL 70 CA 0.0008 -0.0007 -0.0037 238 VAL 70 C 0.0006 -0.0022 -0.0018 239 VAL 70 O 0.0011 -0.0037 -0.0016 240 VAL 70 CB 0.0004 0.0003 -0.0038 241 VAL 70 CG1 -0.0006 0.0012 -0.0020 242 VAL 70 CG2 0.0006 0.0019 -0.0055 243 VAL 71 N -0.0002 -0.0016 -0.0005 244 VAL 71 CA -0.0006 -0.0027 0.0014 245 VAL 71 C -0.0016 -0.0015 0.0029 246 VAL 71 O -0.0023 0.0001 0.0029 247 VAL 71 CB -0.0006 -0.0032 0.0019 248 VAL 71 CG1 -0.0012 -0.0041 0.0040 249 VAL 71 CG2 0.0004 -0.0045 0.0006 250 THR 72 N -0.0018 -0.0024 0.0040 251 THR 72 CA -0.0028 -0.0014 0.0053 252 THR 72 C -0.0032 -0.0025 0.0074 253 THR 72 O -0.0027 -0.0041 0.0078 254 THR 72 CB -0.0027 -0.0011 0.0049 255 THR 72 OG1 -0.0020 -0.0029 0.0049 256 THR 72 CG2 -0.0023 0.0001 0.0029 257 GLY 73 N -0.0037 0.0011 0.0072 258 GLY 73 CA -0.0027 0.0015 0.0063 259 GLY 73 C -0.0024 0.0029 0.0061 260 GLY 73 O -0.0019 0.0034 0.0056 261 VAL 74 N -0.0027 0.0036 0.0063 262 VAL 74 CA -0.0024 0.0049 0.0060 263 VAL 74 C -0.0014 0.0049 0.0052 264 VAL 74 O -0.0012 0.0040 0.0050 265 VAL 74 CB -0.0032 0.0058 0.0068 266 VAL 74 CG1 -0.0042 0.0055 0.0077 267 VAL 74 CG2 -0.0032 0.0056 0.0068 268 THR 75 N -0.0009 0.0059 0.0047 269 THR 75 CA 0.0001 0.0059 0.0038 270 THR 75 C 0.0004 0.0074 0.0036 271 THR 75 O 0.0002 0.0082 0.0037 272 THR 75 CB 0.0009 0.0054 0.0031 273 THR 75 OG1 0.0006 0.0040 0.0033 274 THR 75 CG2 0.0019 0.0053 0.0022 275 ALA 76 N 0.0008 0.0076 0.0032 276 ALA 76 CA 0.0012 0.0088 0.0028 277 ALA 76 C 0.0004 0.0099 0.0035 278 ALA 76 O 0.0006 0.0110 0.0034 279 ALA 76 CB 0.0021 0.0092 0.0020 280 VAL 77 N 0.0009 0.0134 0.0022 281 VAL 77 CA 0.0017 0.0134 0.0032 282 VAL 77 C 0.0014 0.0126 0.0042 283 VAL 77 O 0.0005 0.0120 0.0043 284 VAL 77 CB 0.0021 0.0136 0.0031 285 VAL 77 CG1 0.0030 0.0136 0.0041 286 VAL 77 CG2 0.0024 0.0144 0.0021 287 ALA 78 N 0.0020 0.0125 0.0050 288 ALA 78 CA 0.0016 0.0118 0.0059 289 ALA 78 C 0.0026 0.0118 0.0069 290 ALA 78 O 0.0032 0.0121 0.0070 291 ALA 78 CB 0.0010 0.0115 0.0057 292 GLN 79 N 0.0027 0.0114 0.0077 293 GLN 79 CA 0.0036 0.0114 0.0087 294 GLN 79 C 0.0031 0.0105 0.0097 295 GLN 79 O 0.0022 0.0100 0.0096 296 GLN 79 CB 0.0043 0.0117 0.0088 297 GLN 79 CG 0.0037 0.0112 0.0091 298 GLN 79 CD 0.0044 0.0115 0.0092 299 GLN 79 OE1 0.0053 0.0121 0.0091 300 GLN 79 NE2 0.0039 0.0112 0.0094 301 LYS 80 N 0.0038 0.0104 0.0106 302 LYS 80 CA 0.0036 0.0097 0.0117 303 LYS 80 C 0.0045 0.0098 0.0124 304 LYS 80 O 0.0055 0.0104 0.0123 305 LYS 80 CB 0.0034 0.0094 0.0121 306 LYS 80 CG 0.0030 0.0085 0.0131 307 LYS 80 CD 0.0029 0.0082 0.0135 308 LYS 80 CE 0.0025 0.0074 0.0146 309 LYS 80 NZ 0.0024 0.0070 0.0151 310 THR 81 N 0.0150 0.0125 0.0100 311 THR 81 CA 0.0217 0.0122 0.0150 312 THR 81 C 0.0190 0.0070 0.0247 313 THR 81 O 0.0109 0.0040 0.0260 314 THR 81 CB 0.0215 0.0144 0.0101 315 THR 81 OG1 0.0240 0.0193 0.0010 316 THR 81 CG2 0.0286 0.0142 0.0152 317 VAL 82 N 0.0259 0.0060 0.0314 318 VAL 82 CA 0.0250 0.0014 0.0410 319 VAL 82 C 0.0311 0.0020 0.0436 320 VAL 82 O 0.0398 0.0049 0.0430 321 VAL 82 CB 0.0282 -0.0006 0.0473 322 VAL 82 CG1 0.0281 -0.0051 0.0573 323 VAL 82 CG2 0.0217 -0.0014 0.0450 324 GLU 83 N 0.0263 -0.0007 0.0464 325 GLU 83 CA 0.0307 -0.0008 0.0495 326 GLU 83 C 0.0360 0.0041 0.0421 327 GLU 83 O 0.0448 0.0064 0.0429 328 GLU 83 CB 0.0375 -0.0029 0.0585 329 GLU 83 CG 0.0323 -0.0081 0.0666 330 GLU 83 CD 0.0390 -0.0102 0.0754 331 GLU 83 OE1 0.0478 -0.0074 0.0752 332 GLU 83 OE2 0.0355 -0.0145 0.0827 333 GLY 84 N 0.0303 0.0059 0.0346 334 GLY 84 CA 0.0340 0.0103 0.0272 335 GLY 84 C 0.0260 0.0114 0.0196 336 GLY 84 O 0.0178 0.0089 0.0198 337 ALA 85 N 0.0091 0.0022 0.0149 338 ALA 85 CA 0.0076 0.0030 0.0133 339 ALA 85 C 0.0077 0.0042 0.0117 340 ALA 85 O 0.0095 0.0048 0.0112 341 ALA 85 CB 0.0082 0.0034 0.0128 342 GLY 86 N 0.0057 0.0045 0.0108 343 GLY 86 CA 0.0057 0.0056 0.0091 344 GLY 86 C 0.0043 0.0065 0.0075 345 GLY 86 O 0.0022 0.0062 0.0074 346 SER 87 N 0.0053 0.0077 0.0060 347 SER 87 CA 0.0042 0.0087 0.0043 348 SER 87 C 0.0044 0.0098 0.0028 349 SER 87 O 0.0062 0.0105 0.0021 350 SER 87 CB 0.0051 0.0093 0.0036 351 SER 87 OG 0.0048 0.0084 0.0049 352 ILE 88 N 0.0025 0.0098 0.0023 353 ILE 88 CA 0.0027 0.0106 0.0012 354 ILE 88 C 0.0030 0.0120 -0.0008 355 ILE 88 O 0.0047 0.0128 -0.0015 356 ILE 88 CB 0.0006 0.0101 0.0014 357 ILE 88 CG1 0.0008 0.0088 0.0033 358 ILE 88 CG2 0.0005 0.0111 -0.0001 359 ILE 88 CD1 -0.0012 0.0082 0.0038 360 ALA 89 N -0.0010 0.0027 0.0011 361 ALA 89 CA -0.0010 0.0028 0.0002 362 ALA 89 C -0.0013 0.0032 -0.0007 363 ALA 89 O -0.0018 0.0040 -0.0009 364 ALA 89 CB -0.0014 0.0032 0.0006 365 ALA 90 N -0.0008 0.0027 -0.0013 366 ALA 90 CA -0.0010 0.0031 -0.0022 367 ALA 90 C -0.0008 0.0028 -0.0032 368 ALA 90 O -0.0002 0.0021 -0.0032 369 ALA 90 CB -0.0008 0.0028 -0.0022 370 ALA 91 N -0.0011 0.0033 -0.0040 371 ALA 91 CA -0.0009 0.0031 -0.0050 372 ALA 91 C -0.0011 0.0036 -0.0059 373 ALA 91 O -0.0017 0.0043 -0.0059 374 ALA 91 CB -0.0011 0.0035 -0.0050 375 THR 92 N -0.0007 0.0031 -0.0066 376 THR 92 CA -0.0009 0.0034 -0.0075 377 THR 92 C -0.0006 0.0031 -0.0085 378 THR 92 O -0.0001 0.0025 -0.0086 379 THR 92 CB -0.0006 0.0030 -0.0075 380 THR 92 OG1 0.0001 0.0021 -0.0077 381 THR 92 CG2 -0.0008 0.0031 -0.0065 382 GLY 93 N 0.0017 0.0028 -0.0102 383 GLY 93 CA 0.0016 0.0018 -0.0116 384 GLY 93 C 0.0013 0.0012 -0.0133 385 GLY 93 O 0.0015 -0.0003 -0.0141 386 PHE 94 N 0.0008 0.0023 -0.0139 387 PHE 94 CA 0.0005 0.0019 -0.0156 388 PHE 94 C 0.0004 0.0026 -0.0153 389 PHE 94 O 0.0002 0.0041 -0.0144 390 PHE 94 CB -0.0002 0.0028 -0.0172 391 PHE 94 CG -0.0002 0.0020 -0.0179 392 PHE 94 CD1 -0.0002 0.0006 -0.0192 393 PHE 94 CD2 -0.0002 0.0027 -0.0172 394 PHE 94 CE1 -0.0002 -0.0002 -0.0198 395 PHE 94 CE2 -0.0002 0.0020 -0.0178 396 PHE 94 CZ -0.0002 0.0005 -0.0191 397 VAL 95 N 0.0005 0.0014 -0.0159 398 VAL 95 CA 0.0003 0.0020 -0.0159 399 VAL 95 C -0.0000 0.0014 -0.0179 400 VAL 95 O 0.0002 -0.0002 -0.0184 401 VAL 95 CB 0.0010 0.0012 -0.0144 402 VAL 95 CG1 0.0008 0.0016 -0.0147 403 VAL 95 CG2 0.0013 0.0019 -0.0125 404 LYS 96 N -0.0007 0.0027 -0.0188 405 LYS 96 CA -0.0011 0.0024 -0.0207 406 LYS 96 C -0.0013 0.0030 -0.0208 407 LYS 96 O -0.0011 0.0038 -0.0194 408 LYS 96 CB -0.0018 0.0033 -0.0221 409 LYS 96 CG -0.0016 0.0026 -0.0223 410 LYS 96 CD -0.0014 0.0007 -0.0234 411 LYS 96 CE -0.0012 -0.0000 -0.0235 412 LYS 96 NZ -0.0019 0.0011 -0.0248 413 LYS 97 N -0.0106 0.0136 -0.0225 414 LYS 97 CA -0.0096 0.0112 -0.0234 415 LYS 97 C -0.0064 0.0114 -0.0189 416 LYS 97 O -0.0062 0.0147 -0.0155 417 LYS 97 CB -0.0129 0.0133 -0.0260 418 LYS 97 CG -0.0122 0.0108 -0.0275 419 LYS 97 CD -0.0116 0.0061 -0.0310 420 LYS 97 CE -0.0109 0.0036 -0.0323 421 LYS 97 NZ -0.0142 0.0061 -0.0346 422 ASP 98 N -0.0039 0.0076 -0.0190 423 ASP 98 CA -0.0008 0.0074 -0.0151 424 ASP 98 C -0.0005 0.0051 -0.0168 425 ASP 98 O -0.0027 0.0040 -0.0209 426 ASP 98 CB 0.0028 0.0049 -0.0125 427 ASP 98 CG 0.0056 0.0058 -0.0077 428 ASP 98 OD1 0.0049 0.0083 -0.0064 429 ASP 98 OD2 0.0086 0.0040 -0.0053 430 GLN 99 N 0.0021 0.0044 -0.0138 431 GLN 99 CA 0.0028 0.0021 -0.0150 432 GLN 99 C 0.0042 -0.0029 -0.0179 433 GLN 99 O 0.0027 -0.0045 -0.0214 434 GLN 99 CB 0.0057 0.0025 -0.0108 435 GLN 99 CG 0.0064 0.0004 -0.0117 436 GLN 99 CD 0.0092 0.0009 -0.0074 437 GLN 99 OE1 0.0107 0.0027 -0.0037 438 GLN 99 NE2 0.0100 -0.0007 -0.0079 439 VAL 37 N 0.0010 0.0021 -0.0073 440 VAL 37 CA 0.0031 0.0018 -0.0061 441 VAL 37 C 0.0036 0.0015 -0.0056 442 VAL 37 O 0.0055 0.0016 -0.0051 443 VAL 37 CB 0.0049 0.0027 -0.0073 444 VAL 37 CG1 0.0046 0.0026 -0.0072 445 VAL 37 CG2 0.0047 0.0038 -0.0094 446 LEU 38 N 0.0018 0.0012 -0.0055 447 LEU 38 CA 0.0020 0.0010 -0.0050 448 LEU 38 C 0.0028 -0.0001 -0.0028 449 LEU 38 O 0.0043 -0.0001 -0.0023 450 LEU 38 CB -0.0002 0.0009 -0.0055 451 LEU 38 CG -0.0009 0.0020 -0.0075 452 LEU 38 CD1 0.0006 0.0024 -0.0079 453 LEU 38 CD2 -0.0008 0.0029 -0.0092 454 TYR 39 N 0.0017 -0.0010 -0.0015 455 TYR 39 CA 0.0023 -0.0021 0.0007 456 TYR 39 C 0.0022 -0.0026 0.0016 457 TYR 39 O 0.0039 -0.0028 0.0023 458 TYR 39 CB 0.0045 -0.0020 0.0012 459 TYR 39 CG 0.0046 -0.0018 0.0008 460 TYR 39 CD1 0.0038 -0.0027 0.0022 461 TYR 39 CD2 0.0055 -0.0008 -0.0009 462 TYR 39 CE1 0.0039 -0.0025 0.0018 463 TYR 39 CE2 0.0056 -0.0006 -0.0012 464 TYR 39 CZ 0.0048 -0.0014 0.0002 465 TYR 39 OH 0.0049 -0.0012 -0.0002 466 VAL 40 N 0.0002 -0.0028 0.0014 467 VAL 40 CA -0.0001 -0.0033 0.0023 468 VAL 40 C -0.0001 -0.0046 0.0045 469 VAL 40 O 0.0009 -0.0050 0.0056 470 VAL 40 CB -0.0023 -0.0032 0.0014 471 VAL 40 CG1 -0.0027 -0.0037 0.0023 472 VAL 40 CG2 -0.0022 -0.0019 -0.0009 473 GLY 41 N -0.0000 -0.0036 0.0051 474 GLY 41 CA 0.0000 -0.0032 0.0043 475 GLY 41 C -0.0001 -0.0029 0.0024 476 GLY 41 O 0.0002 -0.0017 0.0017 477 SER 42 N -0.0004 -0.0041 0.0016 478 SER 42 CA -0.0005 -0.0039 -0.0002 479 SER 42 C -0.0006 -0.0036 -0.0014 480 SER 42 O -0.0004 -0.0026 -0.0025 481 SER 42 CB -0.0009 -0.0053 -0.0007 482 SER 42 OG -0.0010 -0.0051 -0.0024 483 LYS 43 N -0.0008 -0.0045 -0.0011 484 LYS 43 CA -0.0008 -0.0041 -0.0019 485 LYS 43 C -0.0009 -0.0050 -0.0009 486 LYS 43 O -0.0012 -0.0065 -0.0007 487 LYS 43 CB -0.0011 -0.0047 -0.0037 488 LYS 43 CG -0.0010 -0.0041 -0.0046 489 LYS 43 CD -0.0013 -0.0047 -0.0064 490 LYS 43 CE -0.0012 -0.0039 -0.0073 491 LYS 43 NZ -0.0013 -0.0046 -0.0066 492 THR 44 N -0.0006 -0.0040 -0.0002 493 THR 44 CA -0.0007 -0.0047 0.0007 494 THR 44 C -0.0006 -0.0039 -0.0002 495 THR 44 O -0.0003 -0.0026 -0.0009 496 THR 44 CB -0.0004 -0.0043 0.0025 497 THR 44 OG1 0.0000 -0.0025 0.0027 498 THR 44 CG2 -0.0005 -0.0049 0.0034 499 LYS 45 N -0.0031 -0.0027 -0.0008 500 LYS 45 CA -0.0032 -0.0021 -0.0008 501 LYS 45 C -0.0029 -0.0028 0.0004 502 LYS 45 O -0.0028 -0.0040 0.0002 503 LYS 45 CB -0.0034 -0.0024 -0.0023 504 LYS 45 CG -0.0035 -0.0016 -0.0025 505 LYS 45 CD -0.0038 -0.0017 -0.0040 506 LYS 45 CE -0.0039 -0.0008 -0.0042 507 LYS 45 NZ -0.0041 -0.0009 -0.0057 508 GLU 46 N -0.0028 -0.0021 0.0016 509 GLU 46 CA -0.0025 -0.0028 0.0029 510 GLU 46 C -0.0025 -0.0019 0.0038 511 GLU 46 O -0.0026 -0.0007 0.0043 512 GLU 46 CB -0.0023 -0.0033 0.0037 513 GLU 46 CG -0.0024 -0.0022 0.0041 514 GLU 46 CD -0.0022 -0.0029 0.0046 515 GLU 46 OE1 -0.0020 -0.0043 0.0047 516 GLU 46 OE2 -0.0022 -0.0021 0.0050 517 GLY 47 N -0.0024 -0.0024 0.0041 518 GLY 47 CA -0.0024 -0.0015 0.0049 519 GLY 47 C -0.0026 -0.0006 0.0039 520 GLY 47 O -0.0027 0.0007 0.0043 521 VAL 48 N -0.0028 -0.0011 0.0026 522 VAL 48 CA -0.0031 -0.0002 0.0014 523 VAL 48 C -0.0031 -0.0008 0.0011 524 VAL 48 O -0.0029 -0.0021 0.0010 525 VAL 48 CB -0.0033 -0.0003 0.0001 526 VAL 48 CG1 -0.0036 0.0006 -0.0011 527 VAL 48 CG2 -0.0033 0.0002 0.0005 528 VAL 49 N -0.0026 0.0037 0.0022 529 VAL 49 CA -0.0020 0.0026 0.0022 530 VAL 49 C -0.0012 0.0029 0.0015 531 VAL 49 O -0.0016 0.0035 0.0015 532 VAL 49 CB -0.0026 0.0018 0.0030 533 VAL 49 CG1 -0.0020 0.0007 0.0029 534 VAL 49 CG2 -0.0032 0.0013 0.0036 535 HIS 50 N -0.0002 0.0024 0.0009 536 HIS 50 CA 0.0005 0.0026 0.0003 537 HIS 50 C 0.0014 0.0016 -0.0000 538 HIS 50 O 0.0019 0.0011 -0.0002 539 HIS 50 CB 0.0008 0.0038 -0.0004 540 HIS 50 CG 0.0015 0.0039 -0.0010 541 HIS 50 ND1 0.0025 0.0036 -0.0017 542 HIS 50 CD2 0.0012 0.0043 -0.0009 543 HIS 50 CE1 0.0029 0.0037 -0.0020 544 HIS 50 NE2 0.0021 0.0042 -0.0016 545 GLY 51 N 0.0016 0.0013 -0.0001 546 GLY 51 CA 0.0025 0.0003 -0.0004 547 GLY 51 C 0.0023 -0.0009 0.0003 548 GLY 51 O 0.0027 -0.0017 0.0002 549 VAL 52 N 0.0016 -0.0012 0.0009 550 VAL 52 CA 0.0013 -0.0023 0.0016 551 VAL 52 C 0.0015 -0.0029 0.0016 552 VAL 52 O 0.0012 -0.0023 0.0016 553 VAL 52 CB 0.0001 -0.0022 0.0024 554 VAL 52 CG1 -0.0002 -0.0033 0.0031 555 VAL 52 CG2 -0.0000 -0.0017 0.0024 556 ALA 53 N 0.0043 -0.0051 0.0005 557 ALA 53 CA 0.0042 -0.0046 0.0003 558 ALA 53 C 0.0044 -0.0049 0.0010 559 ALA 53 O 0.0045 -0.0057 0.0012 560 ALA 53 CB 0.0040 -0.0048 -0.0007 561 THR 54 N 0.0045 -0.0041 0.0013 562 THR 54 CA 0.0046 -0.0043 0.0020 563 THR 54 C 0.0046 -0.0036 0.0019 564 THR 54 O 0.0045 -0.0028 0.0018 565 THR 54 CB 0.0049 -0.0041 0.0030 566 THR 54 OG1 0.0049 -0.0048 0.0032 567 THR 54 CG2 0.0051 -0.0043 0.0038 568 VAL 55 N 0.0046 -0.0041 0.0018 569 VAL 55 CA 0.0045 -0.0035 0.0017 570 VAL 55 C 0.0047 -0.0038 0.0026 571 VAL 55 O 0.0048 -0.0047 0.0027 572 VAL 55 CB 0.0043 -0.0037 0.0008 573 VAL 55 CG1 0.0043 -0.0032 0.0007 574 VAL 55 CG2 0.0041 -0.0034 -0.0001 575 ALA 56 N 0.0048 -0.0031 0.0031 576 ALA 56 CA 0.0050 -0.0032 0.0039 577 ALA 56 C 0.0050 -0.0026 0.0038 578 ALA 56 O 0.0050 -0.0017 0.0038 579 ALA 56 CB 0.0053 -0.0030 0.0048 580 GLU 57 N 0.0040 0.0010 0.0039 581 GLU 57 CA 0.0037 0.0010 0.0049 582 GLU 57 C 0.0040 0.0008 0.0058 583 GLU 57 O 0.0049 0.0005 0.0060 584 GLU 57 CB 0.0041 0.0008 0.0049 585 GLU 57 CG 0.0037 0.0010 0.0042 586 GLU 57 CD 0.0042 0.0008 0.0042 587 GLU 57 OE1 0.0049 0.0005 0.0049 588 GLU 57 OE2 0.0039 0.0010 0.0037 589 LYS 58 N 0.0033 0.0010 0.0064 590 LYS 58 CA 0.0035 0.0009 0.0072 591 LYS 58 C 0.0030 0.0010 0.0082 592 LYS 58 O 0.0021 0.0014 0.0083 593 LYS 58 CB 0.0032 0.0010 0.0068 594 LYS 58 CG 0.0038 0.0009 0.0059 595 LYS 58 CD 0.0035 0.0010 0.0056 596 LYS 58 CE 0.0042 0.0008 0.0047 597 LYS 58 NZ 0.0039 0.0010 0.0044 598 THR 59 N 0.0035 0.0008 0.0090 599 THR 59 CA 0.0031 0.0009 0.0099 600 THR 59 C 0.0026 0.0010 0.0106 601 THR 59 O 0.0019 0.0012 0.0111 602 THR 59 CB 0.0038 0.0005 0.0106 603 THR 59 OG1 0.0042 0.0004 0.0099 604 THR 59 CG2 0.0034 0.0006 0.0115 605 LYS 60 N 0.0031 0.0008 0.0105 606 LYS 60 CA 0.0027 0.0009 0.0111 607 LYS 60 C 0.0030 0.0009 0.0105 608 LYS 60 O 0.0038 0.0005 0.0104 609 LYS 60 CB 0.0030 0.0007 0.0122 610 LYS 60 CG 0.0024 0.0009 0.0129 611 LYS 60 CD 0.0027 0.0007 0.0140 612 LYS 60 CE 0.0022 0.0008 0.0146 613 LYS 60 NZ 0.0024 0.0006 0.0158 614 GLU 61 N 0.0001 0.0043 0.0100 615 GLU 61 CA 0.0002 0.0048 0.0082 616 GLU 61 C -0.0001 0.0038 0.0064 617 GLU 61 O -0.0005 0.0020 0.0063 618 GLU 61 CB 0.0001 0.0042 0.0085 619 GLU 61 CG 0.0002 0.0047 0.0068 620 GLU 61 CD 0.0000 0.0041 0.0071 621 GLU 61 OE1 -0.0001 0.0034 0.0088 622 GLU 61 OE2 0.0001 0.0045 0.0058 623 GLN 62 N 0.0002 0.0049 0.0050 624 GLN 62 CA 0.0000 0.0042 0.0032 625 GLN 62 C 0.0002 0.0049 0.0013 626 GLN 62 O 0.0007 0.0067 0.0010 627 GLN 62 CB 0.0002 0.0047 0.0032 628 GLN 62 CG -0.0001 0.0039 0.0015 629 GLN 62 CD 0.0001 0.0043 0.0017 630 GLN 62 OE1 0.0003 0.0053 0.0031 631 GLN 62 NE2 -0.0001 0.0036 0.0003 632 VAL 63 N -0.0001 0.0036 0.0001 633 VAL 63 CA -0.0000 0.0042 -0.0018 634 VAL 63 C -0.0003 0.0030 -0.0035 635 VAL 63 O -0.0007 0.0013 -0.0038 636 VAL 63 CB -0.0001 0.0038 -0.0017 637 VAL 63 CG1 0.0000 0.0044 -0.0037 638 VAL 63 CG2 0.0002 0.0049 -0.0001 639 THR 64 N -0.0001 0.0039 -0.0046 640 THR 64 CA -0.0003 0.0030 -0.0062 641 THR 64 C -0.0001 0.0041 -0.0081 642 THR 64 O 0.0003 0.0056 -0.0083 643 THR 64 CB -0.0004 0.0028 -0.0057 644 THR 64 OG1 0.0001 0.0046 -0.0058 645 THR 64 CG2 -0.0006 0.0019 -0.0036 646 ASN 65 N 0.0000 0.0040 -0.0118 647 ASN 65 CA -0.0008 0.0054 -0.0135 648 ASN 65 C 0.0006 0.0040 -0.0165 649 ASN 65 O 0.0024 0.0016 -0.0168 650 ASN 65 CB -0.0014 0.0059 -0.0110 651 ASN 65 CG 0.0002 0.0034 -0.0098 652 ASN 65 OD1 0.0019 0.0014 -0.0114 653 ASN 65 ND2 -0.0003 0.0037 -0.0070 654 VAL 66 N -0.0001 0.0054 -0.0188 655 VAL 66 CA 0.0011 0.0041 -0.0214 656 VAL 66 C 0.0006 0.0049 -0.0211 657 VAL 66 O -0.0012 0.0071 -0.0203 658 VAL 66 CB 0.0011 0.0047 -0.0249 659 VAL 66 CG1 0.0013 0.0045 -0.0250 660 VAL 66 CG2 -0.0005 0.0073 -0.0267 661 GLY 67 N 0.0020 0.0029 -0.0216 662 GLY 67 CA 0.0017 0.0033 -0.0216 663 GLY 67 C 0.0008 0.0041 -0.0184 664 GLY 67 O 0.0005 0.0045 -0.0183 665 GLY 68 N 0.0002 0.0044 -0.0157 666 GLY 68 CA -0.0009 0.0055 -0.0127 667 GLY 68 C -0.0000 0.0038 -0.0096 668 GLY 68 O 0.0015 0.0017 -0.0098 669 ALA 69 N -0.0014 0.0048 -0.0076 670 ALA 69 CA -0.0014 0.0038 -0.0063 671 ALA 69 C -0.0019 0.0047 -0.0048 672 ALA 69 O -0.0021 0.0057 -0.0047 673 ALA 69 CB -0.0012 0.0032 -0.0065 674 VAL 70 N -0.0019 0.0043 -0.0038 675 VAL 70 CA -0.0024 0.0052 -0.0024 676 VAL 70 C -0.0024 0.0043 -0.0011 677 VAL 70 O -0.0021 0.0030 -0.0009 678 VAL 70 CB -0.0025 0.0056 -0.0023 679 VAL 70 CG1 -0.0029 0.0064 -0.0008 680 VAL 70 CG2 -0.0025 0.0067 -0.0036 681 VAL 71 N -0.0027 0.0049 -0.0001 682 VAL 71 CA -0.0028 0.0043 0.0013 683 VAL 71 C -0.0032 0.0051 0.0026 684 VAL 71 O -0.0035 0.0064 0.0027 685 VAL 71 CB -0.0028 0.0043 0.0015 686 VAL 71 CG1 -0.0030 0.0038 0.0031 687 VAL 71 CG2 -0.0024 0.0034 0.0003 688 THR 72 N -0.0032 0.0043 0.0035 689 THR 72 CA -0.0035 0.0050 0.0048 690 THR 72 C -0.0036 0.0043 0.0063 691 THR 72 O -0.0034 0.0030 0.0066 692 THR 72 CB -0.0035 0.0048 0.0046 693 THR 72 OG1 -0.0031 0.0033 0.0047 694 THR 72 CG2 -0.0034 0.0055 0.0031 695 GLY 73 N -0.0048 0.0014 0.0069 696 GLY 73 CA -0.0047 0.0015 0.0063 697 GLY 73 C -0.0048 0.0021 0.0060 698 GLY 73 O -0.0048 0.0025 0.0057 699 VAL 74 N -0.0048 0.0020 0.0061 700 VAL 74 CA -0.0048 0.0024 0.0058 701 VAL 74 C -0.0047 0.0022 0.0052 702 VAL 74 O -0.0046 0.0016 0.0050 703 VAL 74 CB -0.0049 0.0026 0.0063 704 VAL 74 CG1 -0.0050 0.0027 0.0070 705 VAL 74 CG2 -0.0048 0.0020 0.0062 706 THR 75 N -0.0047 0.0026 0.0047 707 THR 75 CA -0.0045 0.0024 0.0041 708 THR 75 C -0.0046 0.0029 0.0038 709 THR 75 O -0.0047 0.0035 0.0039 710 THR 75 CB -0.0045 0.0025 0.0036 711 THR 75 OG1 -0.0045 0.0021 0.0039 712 THR 75 CG2 -0.0044 0.0023 0.0029 713 ALA 76 N -0.0045 0.0026 0.0034 714 ALA 76 CA -0.0045 0.0029 0.0031 715 ALA 76 C -0.0046 0.0033 0.0035 716 ALA 76 O -0.0047 0.0039 0.0034 717 ALA 76 CB -0.0045 0.0033 0.0025 718 VAL 77 N -0.0059 0.0046 0.0029 719 VAL 77 CA -0.0054 0.0045 0.0034 720 VAL 77 C -0.0056 0.0040 0.0040 721 VAL 77 O -0.0061 0.0038 0.0040 722 VAL 77 CB -0.0051 0.0047 0.0032 723 VAL 77 CG1 -0.0045 0.0046 0.0037 724 VAL 77 CG2 -0.0049 0.0051 0.0026 725 ALA 78 N -0.0052 0.0038 0.0044 726 ALA 78 CA -0.0054 0.0034 0.0050 727 ALA 78 C -0.0048 0.0032 0.0055 728 ALA 78 O -0.0045 0.0033 0.0056 729 ALA 78 CB -0.0058 0.0032 0.0050 730 GLN 79 N -0.0047 0.0031 0.0059 731 GLN 79 CA -0.0042 0.0029 0.0064 732 GLN 79 C -0.0044 0.0024 0.0070 733 GLN 79 O -0.0050 0.0022 0.0070 734 GLN 79 CB -0.0037 0.0031 0.0063 735 GLN 79 CG -0.0040 0.0030 0.0064 736 GLN 79 CD -0.0035 0.0032 0.0063 737 GLN 79 OE1 -0.0029 0.0034 0.0062 738 GLN 79 NE2 -0.0038 0.0031 0.0064 739 LYS 80 N -0.0040 0.0023 0.0074 740 LYS 80 CA -0.0041 0.0018 0.0080 741 LYS 80 C -0.0035 0.0018 0.0084 742 LYS 80 O -0.0029 0.0021 0.0083 743 LYS 80 CB -0.0042 0.0016 0.0084 744 LYS 80 CG -0.0045 0.0011 0.0090 745 LYS 80 CD -0.0046 0.0008 0.0093 746 LYS 80 CE -0.0048 0.0004 0.0099 747 LYS 80 NZ -0.0049 0.0000 0.0103 748 THR 81 N -0.0058 0.0028 0.0086 749 THR 81 CA -0.0020 0.0028 0.0119 750 THR 81 C -0.0041 0.0001 0.0187 751 THR 81 O -0.0098 -0.0016 0.0196 752 THR 81 CB -0.0028 0.0037 0.0083 753 THR 81 OG1 -0.0007 0.0062 0.0020 754 THR 81 CG2 0.0013 0.0037 0.0118 755 VAL 82 N 0.0005 -0.0002 0.0235 756 VAL 82 CA -0.0005 -0.0025 0.0302 757 VAL 82 C 0.0028 -0.0022 0.0318 758 VAL 82 O 0.0087 -0.0005 0.0313 759 VAL 82 CB 0.0022 -0.0032 0.0347 760 VAL 82 CG1 0.0016 -0.0055 0.0417 761 VAL 82 CG2 -0.0014 -0.0037 0.0332 762 GLU 83 N -0.0011 -0.0037 0.0337 763 GLU 83 CA 0.0011 -0.0038 0.0357 764 GLU 83 C 0.0044 -0.0013 0.0303 765 GLU 83 O 0.0102 0.0000 0.0309 766 GLU 83 CB 0.0054 -0.0046 0.0420 767 GLU 83 CG 0.0020 -0.0073 0.0477 768 GLU 83 CD 0.0063 -0.0081 0.0539 769 GLU 83 OE1 0.0122 -0.0065 0.0537 770 GLU 83 OE2 0.0039 -0.0103 0.0591 771 GLY 84 N 0.0005 -0.0007 0.0251 772 GLY 84 CA 0.0028 0.0016 0.0198 773 GLY 84 C -0.0025 0.0019 0.0145 774 GLY 84 O -0.0078 0.0004 0.0147 775 ALA 85 N -0.0064 0.0022 0.0104 776 ALA 85 CA -0.0072 0.0020 0.0094 777 ALA 85 C -0.0067 0.0022 0.0082 778 ALA 85 O -0.0057 0.0026 0.0079 779 ALA 85 CB -0.0076 0.0018 0.0093 780 GLY 86 N -0.0074 0.0020 0.0074 781 GLY 86 CA -0.0069 0.0022 0.0062 782 GLY 86 C -0.0078 0.0020 0.0051 783 GLY 86 O -0.0087 0.0017 0.0050 784 SER 87 N -0.0074 0.0022 0.0043 785 SER 87 CA -0.0080 0.0020 0.0031 786 SER 87 C -0.0074 0.0023 0.0020 787 SER 87 O -0.0065 0.0027 0.0017 788 SER 87 CB -0.0082 0.0020 0.0030 789 SER 87 OG -0.0089 0.0017 0.0039 790 ILE 88 N -0.0079 0.0022 0.0015 791 ILE 88 CA -0.0072 0.0025 0.0006 792 ILE 88 C -0.0071 0.0026 -0.0007 793 ILE 88 O -0.0062 0.0029 -0.0011 794 ILE 88 CB -0.0078 0.0023 0.0005 795 ILE 88 CG1 -0.0075 0.0023 0.0017 796 ILE 88 CG2 -0.0073 0.0025 -0.0007 797 ILE 88 CD1 -0.0081 0.0021 0.0018 798 ALA 89 N -0.0075 0.0032 0.0002 799 ALA 89 CA -0.0074 0.0038 -0.0003 800 ALA 89 C -0.0070 0.0042 -0.0009 801 ALA 89 O -0.0074 0.0048 -0.0010 802 ALA 89 CB -0.0081 0.0044 -0.0001 803 ALA 90 N -0.0063 0.0038 -0.0012 804 ALA 90 CA -0.0059 0.0041 -0.0018 805 ALA 90 C -0.0055 0.0044 -0.0024 806 ALA 90 O -0.0053 0.0043 -0.0024 807 ALA 90 CB -0.0054 0.0034 -0.0017 808 ALA 91 N -0.0053 0.0050 -0.0029 809 ALA 91 CA -0.0049 0.0054 -0.0036 810 ALA 91 C -0.0045 0.0057 -0.0041 811 ALA 91 O -0.0049 0.0061 -0.0041 812 ALA 91 CB -0.0054 0.0061 -0.0036 813 THR 92 N -0.0038 0.0054 -0.0045 814 THR 92 CA -0.0034 0.0056 -0.0050 815 THR 92 C -0.0029 0.0060 -0.0057 816 THR 92 O -0.0027 0.0058 -0.0057 817 THR 92 CB -0.0028 0.0049 -0.0050 818 THR 92 OG1 -0.0023 0.0044 -0.0051 819 THR 92 CG2 -0.0032 0.0045 -0.0043 820 GLY 93 N -0.0020 0.0060 -0.0074 821 GLY 93 CA -0.0018 0.0061 -0.0079 822 GLY 93 C -0.0014 0.0055 -0.0091 823 GLY 93 O -0.0013 0.0050 -0.0094 824 PHE 94 N -0.0010 0.0056 -0.0098 825 PHE 94 CA -0.0006 0.0051 -0.0110 826 PHE 94 C -0.0005 0.0046 -0.0113 827 PHE 94 O -0.0005 0.0052 -0.0110 828 PHE 94 CB -0.0001 0.0062 -0.0118 829 PHE 94 CG -0.0000 0.0066 -0.0117 830 PHE 94 CD1 0.0002 0.0060 -0.0124 831 PHE 94 CD2 -0.0002 0.0076 -0.0110 832 PHE 94 CE1 0.0002 0.0063 -0.0123 833 PHE 94 CE2 -0.0002 0.0079 -0.0109 834 PHE 94 CZ 0.0000 0.0073 -0.0115 835 VAL 95 N -0.0004 0.0035 -0.0120 836 VAL 95 CA -0.0002 0.0030 -0.0125 837 VAL 95 C 0.0003 0.0026 -0.0137 838 VAL 95 O 0.0002 0.0018 -0.0139 839 VAL 95 CB -0.0007 0.0019 -0.0118 840 VAL 95 CG1 -0.0005 0.0014 -0.0125 841 VAL 95 CG2 -0.0012 0.0024 -0.0106 842 LYS 96 N 0.0007 0.0031 -0.0146 843 LYS 96 CA 0.0012 0.0028 -0.0158 844 LYS 96 C 0.0014 0.0023 -0.0164 845 LYS 96 O 0.0011 0.0023 -0.0158 846 LYS 96 CB 0.0017 0.0040 -0.0164 847 LYS 96 CG 0.0016 0.0044 -0.0160 848 LYS 96 CD 0.0016 0.0036 -0.0165 849 LYS 96 CE 0.0015 0.0040 -0.0160 850 LYS 96 NZ 0.0019 0.0052 -0.0166 851 LYS 97 N 0.0016 -0.0032 -0.0199 852 LYS 97 CA 0.0017 -0.0035 -0.0191 853 LYS 97 C 0.0022 -0.0035 -0.0165 854 LYS 97 O 0.0023 -0.0024 -0.0154 855 LYS 97 CB 0.0014 -0.0015 -0.0200 856 LYS 97 CG 0.0015 -0.0016 -0.0194 857 LYS 97 CD 0.0015 -0.0036 -0.0207 858 LYS 97 CE 0.0016 -0.0038 -0.0200 859 LYS 97 NZ 0.0013 -0.0018 -0.0208 860 ASP 98 N 0.0025 -0.0048 -0.0155 861 ASP 98 CA 0.0029 -0.0049 -0.0131 862 ASP 98 C 0.0030 -0.0050 -0.0127 863 ASP 98 O 0.0027 -0.0048 -0.0143 864 ASP 98 CB 0.0032 -0.0070 -0.0121 865 ASP 98 CG 0.0036 -0.0068 -0.0095 866 ASP 98 OD1 0.0037 -0.0051 -0.0085 867 ASP 98 OD2 0.0039 -0.0084 -0.0086 868 GLN 99 N 0.0033 -0.0051 -0.0105 869 GLN 99 CA 0.0035 -0.0052 -0.0099 870 GLN 99 C 0.0035 -0.0074 -0.0107 871 GLN 99 O 0.0033 -0.0074 -0.0118 872 GLN 99 CB 0.0039 -0.0050 -0.0073 873 GLN 99 CG 0.0040 -0.0050 -0.0065 874 GLN 99 CD 0.0045 -0.0047 -0.0039 875 GLN 99 OE1 0.0047 -0.0046 -0.0027 876 GLN 99 NE2 0.0046 -0.0046 -0.0030 877 VAL 37 N 0.0111 0.0082 -0.0008 878 VAL 37 CA 0.0128 0.0072 -0.0004 879 VAL 37 C 0.0112 0.0064 -0.0004 880 VAL 37 O 0.0120 0.0062 -0.0003 881 VAL 37 CB 0.0149 0.0090 -0.0005 882 VAL 37 CG1 0.0168 0.0090 -0.0002 883 VAL 37 CG2 0.0139 0.0116 -0.0012 884 LEU 38 N 0.0088 0.0059 -0.0006 885 LEU 38 CA 0.0070 0.0052 -0.0007 886 LEU 38 C 0.0075 0.0026 -0.0001 887 LEU 38 O 0.0076 0.0023 -0.0000 888 LEU 38 CB 0.0044 0.0053 -0.0011 889 LEU 38 CG 0.0028 0.0076 -0.0018 890 LEU 38 CD1 0.0021 0.0083 -0.0020 891 LEU 38 CD2 0.0041 0.0098 -0.0021 892 TYR 39 N 0.0079 0.0009 0.0003 893 TYR 39 CA 0.0085 -0.0017 0.0010 894 TYR 39 C 0.0066 -0.0029 0.0010 895 TYR 39 O 0.0071 -0.0036 0.0012 896 TYR 39 CB 0.0111 -0.0018 0.0013 897 TYR 39 CG 0.0132 -0.0012 0.0015 898 TYR 39 CD1 0.0140 -0.0029 0.0019 899 TYR 39 CD2 0.0144 0.0011 0.0011 900 TYR 39 CE1 0.0160 -0.0024 0.0021 901 TYR 39 CE2 0.0164 0.0017 0.0013 902 TYR 39 CZ 0.0171 -0.0001 0.0017 903 TYR 39 OH 0.0190 0.0005 0.0019 904 VAL 40 N 0.0043 -0.0032 0.0007 905 VAL 40 CA 0.0023 -0.0045 0.0007 906 VAL 40 C 0.0027 -0.0072 0.0014 907 VAL 40 O 0.0024 -0.0084 0.0016 908 VAL 40 CB -0.0002 -0.0038 0.0003 909 VAL 40 CG1 -0.0023 -0.0052 0.0003 910 VAL 40 CG2 -0.0006 -0.0011 -0.0004 911 GLY 41 N 0.0026 -0.0077 0.0011 912 GLY 41 CA 0.0028 -0.0080 0.0004 913 GLY 41 C 0.0032 -0.0080 -0.0001 914 GLY 41 O 0.0037 -0.0078 -0.0005 915 SER 42 N 0.0030 -0.0081 -0.0001 916 SER 42 CA 0.0034 -0.0080 -0.0005 917 SER 42 C 0.0036 -0.0083 -0.0013 918 SER 42 O 0.0041 -0.0081 -0.0016 919 SER 42 CB 0.0031 -0.0082 -0.0004 920 SER 42 OG 0.0034 -0.0081 -0.0008 921 LYS 43 N 0.0031 -0.0088 -0.0015 922 LYS 43 CA 0.0033 -0.0090 -0.0022 923 LYS 43 C 0.0027 -0.0094 -0.0023 924 LYS 43 O 0.0022 -0.0097 -0.0022 925 LYS 43 CB 0.0034 -0.0092 -0.0028 926 LYS 43 CG 0.0036 -0.0094 -0.0035 927 LYS 43 CD 0.0037 -0.0096 -0.0040 928 LYS 43 CE 0.0040 -0.0098 -0.0047 929 LYS 43 NZ 0.0035 -0.0102 -0.0049 930 THR 44 N 0.0028 -0.0094 -0.0024 931 THR 44 CA 0.0024 -0.0097 -0.0025 932 THR 44 C 0.0027 -0.0099 -0.0032 933 THR 44 O 0.0032 -0.0097 -0.0034 934 THR 44 CB 0.0022 -0.0096 -0.0020 935 THR 44 OG1 0.0028 -0.0092 -0.0020 936 THR 44 CG2 0.0020 -0.0094 -0.0013 937 LYS 45 N -0.0030 -0.0072 -0.0036 938 LYS 45 CA -0.0032 -0.0070 -0.0029 939 LYS 45 C -0.0027 -0.0071 -0.0022 940 LYS 45 O -0.0020 -0.0074 -0.0021 941 LYS 45 CB -0.0031 -0.0071 -0.0029 942 LYS 45 CG -0.0034 -0.0069 -0.0022 943 LYS 45 CD -0.0034 -0.0069 -0.0023 944 LYS 45 CE -0.0038 -0.0067 -0.0016 945 LYS 45 NZ -0.0038 -0.0067 -0.0017 946 GLU 46 N -0.0030 -0.0070 -0.0018 947 GLU 46 CA -0.0024 -0.0071 -0.0013 948 GLU 46 C -0.0028 -0.0069 -0.0005 949 GLU 46 O -0.0034 -0.0067 -0.0005 950 GLU 46 CB -0.0022 -0.0073 -0.0018 951 GLU 46 CG -0.0029 -0.0071 -0.0022 952 GLU 46 CD -0.0026 -0.0072 -0.0028 953 GLU 46 OE1 -0.0019 -0.0075 -0.0029 954 GLU 46 OE2 -0.0030 -0.0071 -0.0032 955 GLY 47 N -0.0024 -0.0070 0.0002 956 GLY 47 CA -0.0027 -0.0068 0.0010 957 GLY 47 C -0.0032 -0.0066 0.0012 958 GLY 47 O -0.0038 -0.0063 0.0016 959 VAL 48 N -0.0030 -0.0067 0.0011 960 VAL 48 CA -0.0035 -0.0065 0.0011 961 VAL 48 C -0.0031 -0.0065 0.0018 962 VAL 48 O -0.0024 -0.0068 0.0018 963 VAL 48 CB -0.0036 -0.0065 0.0003 964 VAL 48 CG1 -0.0041 -0.0063 0.0004 965 VAL 48 CG2 -0.0040 -0.0065 -0.0003 966 VAL 49 N -0.0034 -0.0003 0.0033 967 VAL 49 CA -0.0029 -0.0014 0.0032 968 VAL 49 C -0.0019 -0.0013 0.0030 969 VAL 49 O -0.0020 -0.0011 0.0030 970 VAL 49 CB -0.0036 -0.0022 0.0035 971 VAL 49 CG1 -0.0030 -0.0032 0.0033 972 VAL 49 CG2 -0.0044 -0.0023 0.0037 973 HIS 50 N -0.0011 -0.0016 0.0028 974 HIS 50 CA -0.0002 -0.0016 0.0025 975 HIS 50 C 0.0006 -0.0024 0.0024 976 HIS 50 O 0.0008 -0.0025 0.0023 977 HIS 50 CB 0.0003 -0.0006 0.0024 978 HIS 50 CG 0.0007 -0.0001 0.0022 979 HIS 50 ND1 0.0017 -0.0003 0.0020 980 HIS 50 CD2 0.0003 0.0005 0.0023 981 HIS 50 CE1 0.0018 0.0002 0.0019 982 HIS 50 NE2 0.0010 0.0007 0.0021 983 GLY 51 N 0.0010 -0.0030 0.0023 984 GLY 51 CA 0.0017 -0.0038 0.0021 985 GLY 51 C 0.0013 -0.0048 0.0022 986 GLY 51 O 0.0015 -0.0051 0.0022 987 VAL 52 N 0.0008 -0.0053 0.0024 988 VAL 52 CA 0.0003 -0.0063 0.0026 989 VAL 52 C 0.0006 -0.0071 0.0025 990 VAL 52 O 0.0006 -0.0070 0.0025 991 VAL 52 CB -0.0009 -0.0062 0.0029 992 VAL 52 CG1 -0.0014 -0.0072 0.0031 993 VAL 52 CG2 -0.0012 -0.0054 0.0030 994 ALA 53 N 0.0037 -0.0096 0.0010 995 ALA 53 CA 0.0037 -0.0088 0.0003 996 ALA 53 C 0.0038 -0.0089 0.0005 997 ALA 53 O 0.0035 -0.0098 0.0008 998 ALA 53 CB 0.0031 -0.0089 -0.0009 999 THR 54 N 0.0042 -0.0081 0.0005 1000 THR 54 CA 0.0044 -0.0081 0.0008 1001 THR 54 C 0.0045 -0.0072 0.0001 1002 THR 54 O 0.0049 -0.0063 -0.0000 1003 THR 54 CB 0.0050 -0.0080 0.0020 1004 THR 54 OG1 0.0049 -0.0088 0.0026 1005 THR 54 CG2 0.0052 -0.0080 0.0023 1006 VAL 55 N 0.0042 -0.0074 -0.0003 1007 VAL 55 CA 0.0043 -0.0066 -0.0010 1008 VAL 55 C 0.0044 -0.0068 -0.0005 1009 VAL 55 O 0.0041 -0.0077 -0.0003 1010 VAL 55 CB 0.0037 -0.0068 -0.0022 1011 VAL 55 CG1 0.0037 -0.0060 -0.0028 1012 VAL 55 CG2 0.0035 -0.0066 -0.0026 1013 ALA 56 N 0.0050 -0.0059 -0.0003 1014 ALA 56 CA 0.0052 -0.0059 0.0002 1015 ALA 56 C 0.0053 -0.0051 -0.0005 1016 ALA 56 O 0.0058 -0.0041 -0.0005 1017 ALA 56 CB 0.0058 -0.0058 0.0013 1018 GLU 57 N 0.0043 0.0004 -0.0006 1019 GLU 57 CA 0.0042 0.0009 -0.0003 1020 GLU 57 C 0.0046 0.0008 0.0005 1021 GLU 57 O 0.0049 0.0002 0.0006 1022 GLU 57 CB 0.0041 0.0007 -0.0008 1023 GLU 57 CG 0.0036 0.0009 -0.0016 1024 GLU 57 CD 0.0035 0.0008 -0.0021 1025 GLU 57 OE1 0.0038 0.0005 -0.0018 1026 GLU 57 OE2 0.0031 0.0010 -0.0027 1027 LYS 58 N 0.0046 0.0013 0.0011 1028 LYS 58 CA 0.0049 0.0013 0.0019 1029 LYS 58 C 0.0048 0.0019 0.0023 1030 LYS 58 O 0.0045 0.0025 0.0025 1031 LYS 58 CB 0.0051 0.0012 0.0022 1032 LYS 58 CG 0.0053 0.0005 0.0019 1033 LYS 58 CD 0.0055 0.0005 0.0023 1034 LYS 58 CE 0.0057 -0.0002 0.0020 1035 LYS 58 NZ 0.0059 -0.0003 0.0024 1036 THR 59 N 0.0049 0.0018 0.0026 1037 THR 59 CA 0.0048 0.0024 0.0029 1038 THR 59 C 0.0050 0.0027 0.0037 1039 THR 59 O 0.0047 0.0033 0.0040 1040 THR 59 CB 0.0049 0.0021 0.0029 1041 THR 59 OG1 0.0048 0.0018 0.0022 1042 THR 59 CG2 0.0048 0.0027 0.0032 1043 LYS 60 N 0.0054 0.0022 0.0041 1044 LYS 60 CA 0.0055 0.0025 0.0049 1045 LYS 60 C 0.0058 0.0020 0.0050 1046 LYS 60 O 0.0062 0.0013 0.0051 1047 LYS 60 CB 0.0058 0.0025 0.0055 1048 LYS 60 CG 0.0059 0.0029 0.0063 1049 LYS 60 CD 0.0061 0.0030 0.0069 1050 LYS 60 CE 0.0062 0.0034 0.0076 1051 LYS 60 NZ 0.0064 0.0035 0.0082 1052 GLU 61 N 0.0020 0.0080 0.0054 1053 GLU 61 CA 0.0018 0.0085 0.0045 1054 GLU 61 C 0.0015 0.0079 0.0035 1055 GLU 61 O 0.0013 0.0069 0.0034 1056 GLU 61 CB 0.0019 0.0084 0.0048 1057 GLU 61 CG 0.0018 0.0088 0.0039 1058 GLU 61 CD 0.0018 0.0088 0.0042 1059 GLU 61 OE1 0.0019 0.0083 0.0051 1060 GLU 61 OE2 0.0017 0.0091 0.0035 1061 GLN 62 N 0.0014 0.0085 0.0026 1062 GLN 62 CA 0.0011 0.0080 0.0016 1063 GLN 62 C 0.0010 0.0086 0.0007 1064 GLN 62 O 0.0012 0.0096 0.0005 1065 GLN 62 CB 0.0011 0.0080 0.0016 1066 GLN 62 CG 0.0008 0.0075 0.0006 1067 GLN 62 CD 0.0008 0.0075 0.0005 1068 GLN 62 OE1 0.0010 0.0080 0.0013 1069 GLN 62 NE2 0.0005 0.0070 -0.0003 1070 VAL 63 N 0.0008 0.0080 0.0000 1071 VAL 63 CA 0.0007 0.0085 -0.0009 1072 VAL 63 C 0.0003 0.0078 -0.0019 1073 VAL 63 O 0.0001 0.0069 -0.0020 1074 VAL 63 CB 0.0007 0.0085 -0.0008 1075 VAL 63 CG1 0.0006 0.0090 -0.0019 1076 VAL 63 CG2 0.0010 0.0092 0.0002 1077 THR 64 N 0.0003 0.0081 -0.0026 1078 THR 64 CA -0.0001 0.0075 -0.0035 1079 THR 64 C -0.0002 0.0082 -0.0045 1080 THR 64 O -0.0001 0.0090 -0.0047 1081 THR 64 CB -0.0001 0.0072 -0.0033 1082 THR 64 OG1 0.0001 0.0081 -0.0034 1083 THR 64 CG2 0.0001 0.0066 -0.0022 1084 ASN 65 N -0.0029 0.0103 -0.0076 1085 ASN 65 CA -0.0031 0.0108 -0.0082 1086 ASN 65 C -0.0020 0.0102 -0.0096 1087 ASN 65 O -0.0010 0.0093 -0.0098 1088 ASN 65 CB -0.0035 0.0106 -0.0069 1089 ASN 65 CG -0.0025 0.0092 -0.0062 1090 ASN 65 OD1 -0.0014 0.0084 -0.0069 1091 ASN 65 ND2 -0.0029 0.0090 -0.0047 1092 VAL 66 N -0.0021 0.0109 -0.0106 1093 VAL 66 CA -0.0011 0.0103 -0.0117 1094 VAL 66 C -0.0012 0.0103 -0.0113 1095 VAL 66 O -0.0023 0.0112 -0.0109 1096 VAL 66 CB -0.0009 0.0109 -0.0135 1097 VAL 66 CG1 -0.0010 0.0112 -0.0138 1098 VAL 66 CG2 -0.0016 0.0120 -0.0143 1099 GLY 67 N -0.0002 0.0092 -0.0114 1100 GLY 67 CA -0.0002 0.0091 -0.0111 1101 GLY 67 C -0.0009 0.0091 -0.0095 1102 GLY 67 O -0.0009 0.0090 -0.0093 1103 GLY 68 N -0.0016 0.0092 -0.0084 1104 GLY 68 CA -0.0024 0.0095 -0.0069 1105 GLY 68 C -0.0022 0.0086 -0.0054 1106 GLY 68 O -0.0014 0.0078 -0.0056 1107 ALA 69 N -0.0038 0.0068 -0.0037 1108 ALA 69 CA -0.0038 0.0062 -0.0029 1109 ALA 69 C -0.0040 0.0068 -0.0019 1110 ALA 69 O -0.0041 0.0076 -0.0019 1111 ALA 69 CB -0.0038 0.0058 -0.0032 1112 VAL 70 N -0.0040 0.0065 -0.0012 1113 VAL 70 CA -0.0042 0.0071 -0.0002 1114 VAL 70 C -0.0042 0.0065 0.0007 1115 VAL 70 O -0.0041 0.0056 0.0008 1116 VAL 70 CB -0.0042 0.0073 -0.0000 1117 VAL 70 CG1 -0.0044 0.0078 0.0010 1118 VAL 70 CG2 -0.0042 0.0081 -0.0008 1119 VAL 71 N -0.0043 0.0070 0.0012 1120 VAL 71 CA -0.0044 0.0066 0.0022 1121 VAL 71 C -0.0045 0.0071 0.0031 1122 VAL 71 O -0.0046 0.0081 0.0031 1123 VAL 71 CB -0.0044 0.0067 0.0022 1124 VAL 71 CG1 -0.0045 0.0064 0.0032 1125 VAL 71 CG2 -0.0042 0.0061 0.0013 1126 THR 72 N -0.0045 0.0066 0.0038 1127 THR 72 CA -0.0047 0.0070 0.0047 1128 THR 72 C -0.0047 0.0066 0.0057 1129 THR 72 O -0.0046 0.0057 0.0059 1130 THR 72 CB -0.0046 0.0068 0.0047 1131 THR 72 OG1 -0.0045 0.0058 0.0047 1132 THR 72 CG2 -0.0046 0.0073 0.0037 1133 GLY 73 N -0.0066 0.0009 0.0068 1134 GLY 73 CA -0.0072 0.0008 0.0065 1135 GLY 73 C -0.0074 0.0005 0.0063 1136 GLY 73 O -0.0078 0.0007 0.0062 1137 VAL 74 N -0.0073 -0.0001 0.0063 1138 VAL 74 CA -0.0075 -0.0005 0.0061 1139 VAL 74 C -0.0081 -0.0008 0.0058 1140 VAL 74 O -0.0081 -0.0009 0.0058 1141 VAL 74 CB -0.0071 -0.0010 0.0062 1142 VAL 74 CG1 -0.0065 -0.0007 0.0065 1143 VAL 74 CG2 -0.0069 -0.0016 0.0061 1144 THR 75 N -0.0085 -0.0010 0.0056 1145 THR 75 CA -0.0091 -0.0012 0.0054 1146 THR 75 C -0.0093 -0.0016 0.0052 1147 THR 75 O -0.0093 -0.0015 0.0052 1148 THR 75 CB -0.0095 -0.0007 0.0053 1149 THR 75 OG1 -0.0093 -0.0002 0.0055 1150 THR 75 CG2 -0.0101 -0.0009 0.0050 1151 ALA 76 N -0.0095 -0.0022 0.0050 1152 ALA 76 CA -0.0098 -0.0027 0.0048 1153 ALA 76 C -0.0094 -0.0029 0.0049 1154 ALA 76 O -0.0096 -0.0029 0.0048 1155 ALA 76 CB -0.0104 -0.0024 0.0046 1156 VAL 77 N -0.0107 -0.0038 0.0044 1157 VAL 77 CA -0.0107 -0.0039 0.0042 1158 VAL 77 C -0.0106 -0.0040 0.0039 1159 VAL 77 O -0.0104 -0.0039 0.0039 1160 VAL 77 CB -0.0106 -0.0038 0.0042 1161 VAL 77 CG1 -0.0106 -0.0040 0.0040 1162 VAL 77 CG2 -0.0107 -0.0038 0.0045 1163 ALA 78 N -0.0108 -0.0042 0.0037 1164 ALA 78 CA -0.0107 -0.0043 0.0035 1165 ALA 78 C -0.0107 -0.0045 0.0032 1166 ALA 78 O -0.0110 -0.0046 0.0032 1167 ALA 78 CB -0.0108 -0.0043 0.0035 1168 GLN 79 N -0.0105 -0.0045 0.0030 1169 GLN 79 CA -0.0106 -0.0046 0.0028 1170 GLN 79 C -0.0104 -0.0047 0.0025 1171 GLN 79 O -0.0103 -0.0046 0.0026 1172 GLN 79 CB -0.0105 -0.0046 0.0028 1173 GLN 79 CG -0.0102 -0.0044 0.0027 1174 GLN 79 CD -0.0101 -0.0044 0.0027 1175 GLN 79 OE1 -0.0102 -0.0045 0.0027 1176 GLN 79 NE2 -0.0098 -0.0043 0.0027 1177 LYS 80 N -0.0105 -0.0049 0.0023 1178 LYS 80 CA -0.0104 -0.0049 0.0021 1179 LYS 80 C -0.0103 -0.0050 0.0019 1180 LYS 80 O -0.0105 -0.0051 0.0019 1181 LYS 80 CB -0.0105 -0.0051 0.0019 1182 LYS 80 CG -0.0104 -0.0051 0.0017 1183 LYS 80 CD -0.0105 -0.0053 0.0016 1184 LYS 80 CE -0.0103 -0.0053 0.0013 1185 LYS 80 NZ -0.0104 -0.0055 0.0012 1186 THR 81 N -0.0163 -0.0035 0.0019 1187 THR 81 CA -0.0148 -0.0035 0.0033 1188 THR 81 C -0.0157 -0.0044 0.0060 1189 THR 81 O -0.0181 -0.0051 0.0064 1190 THR 81 CB -0.0152 -0.0032 0.0019 1191 THR 81 OG1 -0.0144 -0.0023 -0.0007 1192 THR 81 CG2 -0.0137 -0.0032 0.0032 1193 VAL 82 N -0.0139 -0.0045 0.0080 1194 VAL 82 CA -0.0144 -0.0053 0.0107 1195 VAL 82 C -0.0132 -0.0052 0.0113 1196 VAL 82 O -0.0108 -0.0046 0.0111 1197 VAL 82 CB -0.0132 -0.0055 0.0125 1198 VAL 82 CG1 -0.0135 -0.0064 0.0153 1199 VAL 82 CG2 -0.0146 -0.0057 0.0119 1200 GLU 83 N -0.0148 -0.0058 0.0121 1201 GLU 83 CA -0.0140 -0.0058 0.0129 1202 GLU 83 C -0.0127 -0.0049 0.0107 1203 GLU 83 O -0.0104 -0.0044 0.0110 1204 GLU 83 CB -0.0123 -0.0061 0.0154 1205 GLU 83 CG -0.0137 -0.0071 0.0178 1206 GLU 83 CD -0.0120 -0.0073 0.0203 1207 GLU 83 OE1 -0.0097 -0.0067 0.0202 1208 GLU 83 OE2 -0.0130 -0.0081 0.0223 1209 GLY 84 N -0.0143 -0.0048 0.0086 1210 GLY 84 CA -0.0134 -0.0040 0.0065 1211 GLY 84 C -0.0155 -0.0039 0.0043 1212 GLY 84 O -0.0176 -0.0044 0.0044 1213 ALA 85 N -0.0153 -0.0006 0.0008 1214 ALA 85 CA -0.0152 -0.0011 0.0008 1215 ALA 85 C -0.0149 -0.0014 0.0006 1216 ALA 85 O -0.0150 -0.0013 0.0006 1217 ALA 85 CB -0.0157 -0.0014 0.0010 1218 GLY 86 N -0.0146 -0.0017 0.0004 1219 GLY 86 CA -0.0143 -0.0020 0.0002 1220 GLY 86 C -0.0143 -0.0026 0.0001 1221 GLY 86 O -0.0141 -0.0027 -0.0000 1222 SER 87 N -0.0145 -0.0029 0.0002 1223 SER 87 CA -0.0145 -0.0034 0.0001 1224 SER 87 C -0.0141 -0.0036 -0.0001 1225 SER 87 O -0.0142 -0.0036 -0.0001 1226 SER 87 CB -0.0149 -0.0037 0.0003 1227 SER 87 OG -0.0153 -0.0036 0.0005 1228 ILE 88 N -0.0137 -0.0038 -0.0003 1229 ILE 88 CA -0.0134 -0.0038 -0.0006 1230 ILE 88 C -0.0135 -0.0043 -0.0006 1231 ILE 88 O -0.0135 -0.0043 -0.0005 1232 ILE 88 CB -0.0129 -0.0038 -0.0008 1233 ILE 88 CG1 -0.0128 -0.0033 -0.0008 1234 ILE 88 CG2 -0.0125 -0.0040 -0.0010 1235 ILE 88 CD1 -0.0124 -0.0032 -0.0010 1236 ALA 89 N -0.0114 0.0011 0.0002 1237 ALA 89 CA -0.0112 0.0022 0.0003 1238 ALA 89 C -0.0101 0.0025 -0.0000 1239 ALA 89 O -0.0099 0.0030 -0.0000 1240 ALA 89 CB -0.0120 0.0029 0.0006 1241 ALA 90 N -0.0094 0.0022 -0.0003 1242 ALA 90 CA -0.0083 0.0024 -0.0006 1243 ALA 90 C -0.0078 0.0032 -0.0006 1244 ALA 90 O -0.0082 0.0033 -0.0005 1245 ALA 90 CB -0.0077 0.0014 -0.0009 1246 ALA 91 N -0.0071 0.0038 -0.0007 1247 ALA 91 CA -0.0066 0.0047 -0.0008 1248 ALA 91 C -0.0055 0.0048 -0.0011 1249 ALA 91 O -0.0053 0.0051 -0.0011 1250 ALA 91 CB -0.0072 0.0057 -0.0005 1251 THR 92 N -0.0048 0.0047 -0.0013 1252 THR 92 CA -0.0037 0.0049 -0.0016 1253 THR 92 C -0.0033 0.0058 -0.0016 1254 THR 92 O -0.0036 0.0059 -0.0015 1255 THR 92 CB -0.0031 0.0039 -0.0019 1256 THR 92 OG1 -0.0031 0.0036 -0.0019 1257 THR 92 CG2 -0.0036 0.0030 -0.0019 1258 GLY 93 N -0.0031 0.0050 -0.0021 1259 GLY 93 CA -0.0027 0.0058 -0.0018 1260 GLY 93 C -0.0018 0.0054 -0.0023 1261 GLY 93 O -0.0018 0.0057 -0.0022 1262 PHE 94 N -0.0010 0.0047 -0.0030 1263 PHE 94 CA -0.0000 0.0043 -0.0035 1264 PHE 94 C 0.0001 0.0031 -0.0042 1265 PHE 94 O 0.0002 0.0029 -0.0044 1266 PHE 94 CB 0.0013 0.0051 -0.0035 1267 PHE 94 CG 0.0013 0.0063 -0.0029 1268 PHE 94 CD1 0.0016 0.0065 -0.0029 1269 PHE 94 CD2 0.0010 0.0073 -0.0023 1270 PHE 94 CE1 0.0016 0.0075 -0.0024 1271 PHE 94 CE2 0.0010 0.0084 -0.0017 1272 PHE 94 CZ 0.0014 0.0085 -0.0017 1273 VAL 95 N 0.0002 0.0023 -0.0047 1274 VAL 95 CA 0.0006 0.0011 -0.0054 1275 VAL 95 C 0.0016 0.0009 -0.0059 1276 VAL 95 O 0.0013 0.0009 -0.0058 1277 VAL 95 CB -0.0006 0.0001 -0.0056 1278 VAL 95 CG1 -0.0002 -0.0011 -0.0064 1279 VAL 95 CG2 -0.0016 0.0002 -0.0052 1280 LYS 96 N 0.0027 0.0007 -0.0064 1281 LYS 96 CA 0.0037 0.0005 -0.0068 1282 LYS 96 C 0.0041 -0.0007 -0.0076 1283 LYS 96 O 0.0036 -0.0014 -0.0078 1284 LYS 96 CB 0.0048 0.0015 -0.0067 1285 LYS 96 CG 0.0046 0.0027 -0.0060 1286 LYS 96 CD 0.0046 0.0028 -0.0059 1287 LYS 96 CE 0.0043 0.0040 -0.0052 1288 LYS 96 NZ 0.0054 0.0050 -0.0050 1289 LYS 97 N 0.0074 -0.0146 -0.0104 1290 LYS 97 CA 0.0058 -0.0106 -0.0090 1291 LYS 97 C 0.0013 -0.0109 -0.0076 1292 LYS 97 O -0.0001 -0.0133 -0.0077 1293 LYS 97 CB 0.0080 -0.0072 -0.0090 1294 LYS 97 CG 0.0068 -0.0028 -0.0077 1295 LYS 97 CD 0.0082 -0.0012 -0.0078 1296 LYS 97 CE 0.0069 0.0032 -0.0064 1297 LYS 97 NZ 0.0089 0.0062 -0.0064 1298 ASP 98 N -0.0010 -0.0086 -0.0064 1299 ASP 98 CA -0.0053 -0.0083 -0.0049 1300 ASP 98 C -0.0062 -0.0037 -0.0036 1301 ASP 98 O -0.0034 -0.0010 -0.0039 1302 ASP 98 CB -0.0078 -0.0112 -0.0047 1303 ASP 98 CG -0.0121 -0.0122 -0.0035 1304 ASP 98 OD1 -0.0133 -0.0105 -0.0027 1305 ASP 98 OD2 -0.0144 -0.0147 -0.0033 1306 GLN 99 N -0.0100 -0.0028 -0.0021 1307 GLN 99 CA -0.0113 0.0015 -0.0008 1308 GLN 99 C -0.0107 0.0030 -0.0006 1309 GLN 99 O -0.0090 0.0064 -0.0005 1310 GLN 99 CB -0.0157 0.0017 0.0007 1311 GLN 99 CG -0.0173 0.0060 0.0021 1312 GLN 99 CD -0.0216 0.0061 0.0036 1313 GLN 99 OE1 -0.0236 0.0029 0.0036 1314 GLN 99 NE2 -0.0232 0.0098 0.0049 1315 VAL 37 N 0.0153 0.0087 0.0066 1316 VAL 37 CA 0.0155 0.0075 0.0059 1317 VAL 37 C 0.0128 0.0066 0.0054 1318 VAL 37 O 0.0121 0.0062 0.0052 1319 VAL 37 CB 0.0166 0.0090 0.0067 1320 VAL 37 CG1 0.0194 0.0092 0.0068 1321 VAL 37 CG2 0.0154 0.0112 0.0080 1322 LEU 38 N 0.0114 0.0063 0.0053 1323 LEU 38 CA 0.0088 0.0055 0.0049 1324 LEU 38 C 0.0087 0.0031 0.0035 1325 LEU 38 O 0.0073 0.0025 0.0032 1326 LEU 38 CB 0.0074 0.0058 0.0051 1327 LEU 38 CG 0.0060 0.0079 0.0063 1328 LEU 38 CD1 0.0036 0.0082 0.0065 1329 LEU 38 CD2 0.0077 0.0100 0.0075 1330 TYR 39 N 0.0102 0.0017 0.0027 1331 TYR 39 CA 0.0105 -0.0006 0.0013 1332 TYR 39 C 0.0080 -0.0019 0.0006 1333 TYR 39 O 0.0070 -0.0028 0.0001 1334 TYR 39 CB 0.0118 -0.0010 0.0011 1335 TYR 39 CG 0.0145 -0.0003 0.0014 1336 TYR 39 CD1 0.0164 -0.0017 0.0006 1337 TYR 39 CD2 0.0152 0.0017 0.0026 1338 TYR 39 CE1 0.0190 -0.0011 0.0010 1339 TYR 39 CE2 0.0178 0.0023 0.0029 1340 TYR 39 CZ 0.0196 0.0009 0.0021 1341 TYR 39 OH 0.0221 0.0016 0.0024 1342 VAL 40 N 0.0069 -0.0019 0.0006 1343 VAL 40 CA 0.0045 -0.0031 -0.0000 1344 VAL 40 C 0.0050 -0.0056 -0.0015 1345 VAL 40 O 0.0035 -0.0069 -0.0022 1346 VAL 40 CB 0.0033 -0.0024 0.0004 1347 VAL 40 CG1 0.0008 -0.0036 -0.0003 1348 VAL 40 CG2 0.0028 0.0001 0.0018 1349 GLY 41 N 0.0044 -0.0072 -0.0030 1350 GLY 41 CA 0.0046 -0.0076 -0.0036 1351 GLY 41 C 0.0050 -0.0078 -0.0027 1352 GLY 41 O 0.0056 -0.0086 -0.0029 1353 SER 42 N 0.0047 -0.0071 -0.0019 1354 SER 42 CA 0.0052 -0.0072 -0.0010 1355 SER 42 C 0.0053 -0.0076 -0.0013 1356 SER 42 O 0.0060 -0.0082 -0.0009 1357 SER 42 CB 0.0047 -0.0063 -0.0001 1358 SER 42 OG 0.0051 -0.0064 0.0008 1359 LYS 43 N 0.0048 -0.0073 -0.0021 1360 LYS 43 CA 0.0050 -0.0077 -0.0026 1361 LYS 43 C 0.0043 -0.0074 -0.0037 1362 LYS 43 O 0.0037 -0.0066 -0.0037 1363 LYS 43 CB 0.0050 -0.0075 -0.0019 1364 LYS 43 CG 0.0053 -0.0081 -0.0024 1365 LYS 43 CD 0.0054 -0.0078 -0.0017 1366 LYS 43 CE 0.0057 -0.0085 -0.0022 1367 LYS 43 NZ 0.0052 -0.0083 -0.0033 1368 THR 44 N 0.0045 -0.0081 -0.0047 1369 THR 44 CA 0.0040 -0.0079 -0.0057 1370 THR 44 C 0.0043 -0.0085 -0.0062 1371 THR 44 O 0.0050 -0.0093 -0.0060 1372 THR 44 CB 0.0038 -0.0080 -0.0065 1373 THR 44 OG1 0.0045 -0.0090 -0.0067 1374 THR 44 CG2 0.0035 -0.0075 -0.0060 1375 LYS 45 N -0.0018 -0.0059 -0.0063 1376 LYS 45 CA -0.0022 -0.0063 -0.0046 1377 LYS 45 C -0.0014 -0.0056 -0.0047 1378 LYS 45 O -0.0001 -0.0047 -0.0042 1379 LYS 45 CB -0.0018 -0.0060 -0.0030 1380 LYS 45 CG -0.0023 -0.0065 -0.0013 1381 LYS 45 CD -0.0021 -0.0064 0.0003 1382 LYS 45 CE -0.0027 -0.0069 0.0020 1383 LYS 45 NZ -0.0025 -0.0069 0.0036 1384 GLU 46 N -0.0021 -0.0062 -0.0053 1385 GLU 46 CA -0.0013 -0.0056 -0.0058 1386 GLU 46 C -0.0021 -0.0062 -0.0052 1387 GLU 46 O -0.0033 -0.0071 -0.0057 1388 GLU 46 CB -0.0011 -0.0053 -0.0078 1389 GLU 46 CG -0.0023 -0.0062 -0.0090 1390 GLU 46 CD -0.0019 -0.0058 -0.0109 1391 GLU 46 OE1 -0.0006 -0.0048 -0.0112 1392 GLU 46 OE2 -0.0028 -0.0065 -0.0121 1393 GLY 47 N -0.0014 -0.0057 -0.0041 1394 GLY 47 CA -0.0021 -0.0063 -0.0034 1395 GLY 47 C -0.0028 -0.0069 -0.0017 1396 GLY 47 O -0.0040 -0.0078 -0.0014 1397 VAL 48 N -0.0022 -0.0065 -0.0005 1398 VAL 48 CA -0.0030 -0.0071 0.0010 1399 VAL 48 C -0.0022 -0.0066 0.0027 1400 VAL 48 O -0.0009 -0.0056 0.0029 1401 VAL 48 CB -0.0030 -0.0072 0.0008 1402 VAL 48 CG1 -0.0037 -0.0078 0.0024 1403 VAL 48 CG2 -0.0038 -0.0077 -0.0009 1404 VAL 49 N -0.0032 -0.0015 0.0050 1405 VAL 49 CA -0.0029 -0.0021 0.0048 1406 VAL 49 C -0.0019 -0.0025 0.0051 1407 VAL 49 O -0.0016 -0.0028 0.0051 1408 VAL 49 CB -0.0035 -0.0029 0.0043 1409 VAL 49 CG1 -0.0031 -0.0036 0.0041 1410 VAL 49 CG2 -0.0044 -0.0026 0.0040 1411 HIS 50 N -0.0014 -0.0024 0.0053 1412 HIS 50 CA -0.0005 -0.0027 0.0056 1413 HIS 50 C -0.0001 -0.0031 0.0056 1414 HIS 50 O -0.0002 -0.0027 0.0057 1415 HIS 50 CB 0.0001 -0.0020 0.0061 1416 HIS 50 CG 0.0001 -0.0012 0.0064 1417 HIS 50 ND1 0.0008 -0.0012 0.0067 1418 HIS 50 CD2 -0.0004 -0.0004 0.0066 1419 HIS 50 CE1 0.0007 -0.0004 0.0070 1420 HIS 50 NE2 -0.0001 0.0001 0.0069 1421 GLY 51 N 0.0005 -0.0038 0.0054 1422 GLY 51 CA 0.0009 -0.0043 0.0054 1423 GLY 51 C 0.0003 -0.0048 0.0050 1424 GLY 51 O 0.0001 -0.0046 0.0050 1425 VAL 52 N 0.0001 -0.0055 0.0046 1426 VAL 52 CA -0.0005 -0.0061 0.0041 1427 VAL 52 C -0.0000 -0.0070 0.0039 1428 VAL 52 O 0.0003 -0.0074 0.0039 1429 VAL 52 CB -0.0014 -0.0060 0.0038 1430 VAL 52 CG1 -0.0020 -0.0067 0.0033 1431 VAL 52 CG2 -0.0019 -0.0051 0.0040 1432 ALA 53 N 0.0021 -0.0094 0.0021 1433 ALA 53 CA 0.0024 -0.0087 0.0007 1434 ALA 53 C 0.0020 -0.0090 0.0006 1435 ALA 53 O 0.0011 -0.0098 0.0009 1436 ALA 53 CB 0.0017 -0.0089 -0.0005 1437 THR 54 N 0.0028 -0.0082 0.0000 1438 THR 54 CA 0.0026 -0.0083 -0.0001 1439 THR 54 C 0.0031 -0.0075 -0.0014 1440 THR 54 O 0.0041 -0.0066 -0.0016 1441 THR 54 CB 0.0033 -0.0081 0.0013 1442 THR 54 OG1 0.0028 -0.0089 0.0025 1443 THR 54 CG2 0.0032 -0.0082 0.0012 1444 VAL 55 N 0.0024 -0.0078 -0.0023 1445 VAL 55 CA 0.0027 -0.0072 -0.0036 1446 VAL 55 C 0.0025 -0.0074 -0.0035 1447 VAL 55 O 0.0015 -0.0083 -0.0033 1448 VAL 55 CB 0.0020 -0.0073 -0.0050 1449 VAL 55 CG1 0.0023 -0.0067 -0.0063 1450 VAL 55 CG2 0.0023 -0.0071 -0.0052 1451 ALA 56 N 0.0033 -0.0066 -0.0037 1452 ALA 56 CA 0.0032 -0.0067 -0.0036 1453 ALA 56 C 0.0037 -0.0060 -0.0049 1454 ALA 56 O 0.0047 -0.0051 -0.0050 1455 ALA 56 CB 0.0039 -0.0066 -0.0022 1456 GLU 57 N 0.0029 -0.0010 -0.0052 1457 GLU 57 CA 0.0030 -0.0003 -0.0057 1458 GLU 57 C 0.0031 -0.0005 -0.0050 1459 GLU 57 O 0.0028 -0.0015 -0.0049 1460 GLU 57 CB 0.0024 -0.0006 -0.0069 1461 GLU 57 CG 0.0023 -0.0002 -0.0077 1462 GLU 57 CD 0.0018 -0.0005 -0.0089 1463 GLU 57 OE1 0.0015 -0.0010 -0.0091 1464 GLU 57 OE2 0.0016 -0.0001 -0.0097 1465 LYS 58 N 0.0037 0.0003 -0.0044 1466 LYS 58 CA 0.0039 0.0002 -0.0035 1467 LYS 58 C 0.0042 0.0011 -0.0038 1468 LYS 58 O 0.0046 0.0021 -0.0036 1469 LYS 58 CB 0.0043 0.0001 -0.0023 1470 LYS 58 CG 0.0041 -0.0009 -0.0019 1471 LYS 58 CD 0.0045 -0.0009 -0.0007 1472 LYS 58 CE 0.0042 -0.0019 -0.0004 1473 LYS 58 NZ 0.0046 -0.0019 0.0008 1474 THR 59 N 0.0039 0.0008 -0.0042 1475 THR 59 CA 0.0041 0.0017 -0.0045 1476 THR 59 C 0.0047 0.0021 -0.0035 1477 THR 59 O 0.0050 0.0031 -0.0035 1478 THR 59 CB 0.0037 0.0012 -0.0052 1479 THR 59 OG1 0.0032 0.0007 -0.0062 1480 THR 59 CG2 0.0039 0.0021 -0.0057 1481 LYS 60 N 0.0047 0.0014 -0.0025 1482 LYS 60 CA 0.0053 0.0019 -0.0015 1483 LYS 60 C 0.0054 0.0012 -0.0004 1484 LYS 60 O 0.0050 0.0001 -0.0002 1485 LYS 60 CB 0.0053 0.0019 -0.0014 1486 LYS 60 CG 0.0058 0.0025 -0.0004 1487 LYS 60 CD 0.0059 0.0025 -0.0005 1488 LYS 60 CE 0.0064 0.0031 0.0005 1489 LYS 60 NZ 0.0064 0.0032 0.0004 1490 GLU 61 N 0.0021 0.0075 0.0009 1491 GLU 61 CA 0.0019 0.0077 0.0010 1492 GLU 61 C 0.0018 0.0076 0.0008 1493 GLU 61 O 0.0020 0.0074 0.0008 1494 GLU 61 CB 0.0021 0.0079 0.0012 1495 GLU 61 CG 0.0019 0.0081 0.0012 1496 GLU 61 CD 0.0021 0.0082 0.0015 1497 GLU 61 OE1 0.0023 0.0082 0.0016 1498 GLU 61 OE2 0.0019 0.0084 0.0015 1499 GLN 62 N 0.0016 0.0077 0.0006 1500 GLN 62 CA 0.0014 0.0075 0.0004 1501 GLN 62 C 0.0012 0.0078 0.0004 1502 GLN 62 O 0.0010 0.0079 0.0004 1503 GLN 62 CB 0.0013 0.0074 0.0002 1504 GLN 62 CG 0.0012 0.0072 -0.0000 1505 GLN 62 CD 0.0011 0.0071 -0.0002 1506 GLN 62 OE1 0.0011 0.0070 -0.0002 1507 GLN 62 NE2 0.0010 0.0069 -0.0004 1508 VAL 63 N 0.0012 0.0078 0.0004 1509 VAL 63 CA 0.0010 0.0080 0.0004 1510 VAL 63 C 0.0009 0.0078 0.0002 1511 VAL 63 O 0.0011 0.0077 0.0002 1512 VAL 63 CB 0.0011 0.0081 0.0006 1513 VAL 63 CG1 0.0009 0.0083 0.0006 1514 VAL 63 CG2 0.0012 0.0083 0.0008 1515 THR 64 N 0.0007 0.0078 0.0000 1516 THR 64 CA 0.0006 0.0076 -0.0002 1517 THR 64 C 0.0003 0.0078 -0.0003 1518 THR 64 O 0.0001 0.0079 -0.0004 1519 THR 64 CB 0.0006 0.0074 -0.0004 1520 THR 64 OG1 0.0004 0.0075 -0.0005 1521 THR 64 CG2 0.0009 0.0072 -0.0003 1522 ASN 65 N -0.0028 0.0105 -0.0028 1523 ASN 65 CA -0.0024 0.0102 -0.0025 1524 ASN 65 C -0.0016 0.0104 -0.0024 1525 ASN 65 O -0.0012 0.0106 -0.0025 1526 ASN 65 CB -0.0027 0.0094 -0.0021 1527 ASN 65 CG -0.0022 0.0090 -0.0017 1528 ASN 65 OD1 -0.0016 0.0092 -0.0017 1529 ASN 65 ND2 -0.0026 0.0084 -0.0014 1530 VAL 66 N -0.0012 0.0103 -0.0023 1531 VAL 66 CA -0.0004 0.0104 -0.0022 1532 VAL 66 C -0.0002 0.0097 -0.0017 1533 VAL 66 O -0.0006 0.0094 -0.0016 1534 VAL 66 CB 0.0000 0.0110 -0.0025 1535 VAL 66 CG1 -0.0003 0.0116 -0.0030 1536 VAL 66 CG2 0.0000 0.0109 -0.0024 1537 GLY 67 N 0.0005 0.0094 -0.0015 1538 GLY 67 CA 0.0007 0.0088 -0.0010 1539 GLY 67 C 0.0002 0.0081 -0.0007 1540 GLY 67 O 0.0004 0.0076 -0.0004 1541 GLY 68 N -0.0005 0.0082 -0.0009 1542 GLY 68 CA -0.0011 0.0076 -0.0006 1543 GLY 68 C -0.0014 0.0074 -0.0006 1544 GLY 68 O -0.0012 0.0078 -0.0008 1545 ALA 69 N -0.0030 0.0053 0.0007 1546 ALA 69 CA -0.0032 0.0049 0.0011 1547 ALA 69 C -0.0033 0.0052 0.0016 1548 ALA 69 O -0.0032 0.0056 0.0016 1549 ALA 69 CB -0.0032 0.0046 0.0007 1550 VAL 70 N -0.0034 0.0051 0.0022 1551 VAL 70 CA -0.0035 0.0054 0.0027 1552 VAL 70 C -0.0037 0.0051 0.0031 1553 VAL 70 O -0.0038 0.0045 0.0032 1554 VAL 70 CB -0.0035 0.0057 0.0030 1555 VAL 70 CG1 -0.0036 0.0060 0.0036 1556 VAL 70 CG2 -0.0033 0.0062 0.0027 1557 VAL 71 N -0.0037 0.0053 0.0033 1558 VAL 71 CA -0.0039 0.0050 0.0038 1559 VAL 71 C -0.0040 0.0054 0.0044 1560 VAL 71 O -0.0038 0.0059 0.0044 1561 VAL 71 CB -0.0038 0.0050 0.0036 1562 VAL 71 CG1 -0.0040 0.0047 0.0040 1563 VAL 71 CG2 -0.0038 0.0046 0.0030 1564 THR 72 N -0.0041 0.0050 0.0048 1565 THR 72 CA -0.0042 0.0053 0.0054 1566 THR 72 C -0.0044 0.0051 0.0059 1567 THR 72 O -0.0046 0.0045 0.0060 1568 THR 72 CB -0.0043 0.0053 0.0056 1569 THR 72 OG1 -0.0044 0.0047 0.0057 1570 THR 72 CG2 -0.0041 0.0056 0.0052 1571 GLY 73 N -0.0062 0.0002 0.0077 1572 GLY 73 CA -0.0071 -0.0000 0.0079 1573 GLY 73 C -0.0075 -0.0009 0.0077 1574 GLY 73 O -0.0082 -0.0010 0.0079 1575 VAL 74 N -0.0072 -0.0015 0.0072 1576 VAL 74 CA -0.0077 -0.0023 0.0070 1577 VAL 74 C -0.0083 -0.0024 0.0072 1578 VAL 74 O -0.0081 -0.0020 0.0073 1579 VAL 74 CB -0.0072 -0.0029 0.0064 1580 VAL 74 CG1 -0.0065 -0.0027 0.0063 1581 VAL 74 CG2 -0.0068 -0.0031 0.0062 1582 THR 75 N -0.0090 -0.0029 0.0072 1583 THR 75 CA -0.0096 -0.0030 0.0074 1584 THR 75 C -0.0100 -0.0039 0.0071 1585 THR 75 O -0.0102 -0.0043 0.0070 1586 THR 75 CB -0.0102 -0.0025 0.0080 1587 THR 75 OG1 -0.0098 -0.0017 0.0082 1588 THR 75 CG2 -0.0109 -0.0026 0.0082 1589 ALA 76 N -0.0101 -0.0043 0.0070 1590 ALA 76 CA -0.0106 -0.0051 0.0068 1591 ALA 76 C -0.0103 -0.0057 0.0063 1592 ALA 76 O -0.0107 -0.0062 0.0062 1593 ALA 76 CB -0.0116 -0.0051 0.0072 1594 VAL 77 N -0.0108 -0.0070 0.0061 1595 VAL 77 CA -0.0113 -0.0073 0.0049 1596 VAL 77 C -0.0108 -0.0070 0.0037 1597 VAL 77 O -0.0097 -0.0064 0.0035 1598 VAL 77 CB -0.0111 -0.0072 0.0049 1599 VAL 77 CG1 -0.0116 -0.0075 0.0037 1600 VAL 77 CG2 -0.0116 -0.0075 0.0062 1601 ALA 78 N -0.0115 -0.0074 0.0027 1602 ALA 78 CA -0.0110 -0.0072 0.0015 1603 ALA 78 C -0.0118 -0.0076 0.0003 1604 ALA 78 O -0.0127 -0.0082 0.0002 1605 ALA 78 CB -0.0110 -0.0072 0.0019 1606 GLN 79 N -0.0113 -0.0074 -0.0007 1607 GLN 79 CA -0.0120 -0.0078 -0.0019 1608 GLN 79 C -0.0114 -0.0074 -0.0031 1609 GLN 79 O -0.0104 -0.0068 -0.0030 1610 GLN 79 CB -0.0121 -0.0079 -0.0021 1611 GLN 79 CG -0.0110 -0.0072 -0.0024 1612 GLN 79 CD -0.0112 -0.0073 -0.0026 1613 GLN 79 OE1 -0.0122 -0.0079 -0.0026 1614 GLN 79 NE2 -0.0103 -0.0068 -0.0029 1615 LYS 80 N -0.0120 -0.0078 -0.0042 1616 LYS 80 CA -0.0115 -0.0075 -0.0055 1617 LYS 80 C -0.0119 -0.0078 -0.0065 1618 LYS 80 O -0.0129 -0.0084 -0.0064 1619 LYS 80 CB -0.0118 -0.0077 -0.0060 1620 LYS 80 CG -0.0111 -0.0073 -0.0072 1621 LYS 80 CD -0.0113 -0.0074 -0.0077 1622 LYS 80 CE -0.0106 -0.0070 -0.0090 1623 LYS 80 NZ -0.0109 -0.0072 -0.0096 1624 THR 81 N -0.0164 -0.0059 -0.0070 1625 THR 81 CA -0.0163 -0.0062 -0.0080 1626 THR 81 C -0.0158 -0.0064 -0.0092 1627 THR 81 O -0.0148 -0.0059 -0.0094 1628 THR 81 CB -0.0156 -0.0057 -0.0077 1629 THR 81 OG1 -0.0161 -0.0055 -0.0065 1630 THR 81 CG2 -0.0155 -0.0060 -0.0086 1631 VAL 82 N -0.0164 -0.0071 -0.0101 1632 VAL 82 CA -0.0159 -0.0073 -0.0114 1633 VAL 82 C -0.0156 -0.0074 -0.0121 1634 VAL 82 O -0.0164 -0.0079 -0.0121 1635 VAL 82 CB -0.0168 -0.0080 -0.0120 1636 VAL 82 CG1 -0.0163 -0.0083 -0.0134 1637 VAL 82 CG2 -0.0170 -0.0079 -0.0113 1638 GLU 83 N -0.0145 -0.0070 -0.0126 1639 GLU 83 CA -0.0141 -0.0070 -0.0134 1640 GLU 83 C -0.0143 -0.0069 -0.0126 1641 GLU 83 O -0.0150 -0.0073 -0.0129 1642 GLU 83 CB -0.0146 -0.0078 -0.0146 1643 GLU 83 CG -0.0142 -0.0079 -0.0155 1644 GLU 83 CD -0.0146 -0.0086 -0.0167 1645 GLU 83 OE1 -0.0153 -0.0090 -0.0168 1646 GLU 83 OE2 -0.0143 -0.0088 -0.0175 1647 GLY 84 N -0.0138 -0.0062 -0.0117 1648 GLY 84 CA -0.0138 -0.0059 -0.0110 1649 GLY 84 C -0.0131 -0.0052 -0.0099 1650 GLY 84 O -0.0127 -0.0048 -0.0097 1651 ALA 85 N -0.0141 -0.0025 -0.0126 1652 ALA 85 CA -0.0131 -0.0025 -0.0115 1653 ALA 85 C -0.0135 -0.0031 -0.0102 1654 ALA 85 O -0.0146 -0.0036 -0.0099 1655 ALA 85 CB -0.0131 -0.0026 -0.0114 1656 GLY 86 N -0.0124 -0.0030 -0.0094 1657 GLY 86 CA -0.0127 -0.0036 -0.0081 1658 GLY 86 C -0.0118 -0.0037 -0.0069 1659 GLY 86 O -0.0106 -0.0033 -0.0068 1660 SER 87 N -0.0124 -0.0042 -0.0060 1661 SER 87 CA -0.0116 -0.0043 -0.0048 1662 SER 87 C -0.0121 -0.0049 -0.0036 1663 SER 87 O -0.0132 -0.0054 -0.0033 1664 SER 87 CB -0.0119 -0.0045 -0.0047 1665 SER 87 OG -0.0113 -0.0039 -0.0057 1666 ILE 88 N -0.0112 -0.0048 -0.0030 1667 ILE 88 CA -0.0117 -0.0053 -0.0021 1668 ILE 88 C -0.0118 -0.0058 -0.0007 1669 ILE 88 O -0.0129 -0.0063 -0.0003 1670 ILE 88 CB -0.0107 -0.0050 -0.0019 1671 ILE 88 CG1 -0.0109 -0.0047 -0.0032 1672 ILE 88 CG2 -0.0110 -0.0055 -0.0007 1673 ILE 88 CD1 -0.0099 -0.0043 -0.0033 1674 ALA 89 N -0.0090 -0.0016 0.0001 1675 ALA 89 CA -0.0088 -0.0005 0.0010 1676 ALA 89 C -0.0074 -0.0003 0.0009 1677 ALA 89 O -0.0066 0.0001 0.0011 1678 ALA 89 CB -0.0092 0.0002 0.0016 1679 ALA 90 N -0.0070 -0.0006 0.0006 1680 ALA 90 CA -0.0057 -0.0004 0.0005 1681 ALA 90 C -0.0056 0.0004 0.0012 1682 ALA 90 O -0.0065 0.0007 0.0015 1683 ALA 90 CB -0.0054 -0.0014 -0.0003 1684 ALA 91 N -0.0044 0.0009 0.0014 1685 ALA 91 CA -0.0041 0.0018 0.0021 1686 ALA 91 C -0.0027 0.0019 0.0019 1687 ALA 91 O -0.0019 0.0020 0.0019 1688 ALA 91 CB -0.0045 0.0027 0.0029 1689 THR 92 N -0.0024 0.0019 0.0018 1690 THR 92 CA -0.0011 0.0020 0.0017 1691 THR 92 C -0.0009 0.0028 0.0024 1692 THR 92 O -0.0018 0.0031 0.0027 1693 THR 92 CB -0.0008 0.0010 0.0009 1694 THR 92 OG1 -0.0016 0.0009 0.0009 1695 THR 92 CG2 -0.0011 0.0001 0.0001 1696 GLY 93 N -0.0004 0.0012 0.0036 1697 GLY 93 CA -0.0002 0.0019 0.0046 1698 GLY 93 C 0.0001 0.0020 0.0049 1699 GLY 93 O -0.0002 0.0027 0.0055 1700 PHE 94 N 0.0008 0.0012 0.0045 1701 PHE 94 CA 0.0013 0.0012 0.0048 1702 PHE 94 C 0.0014 0.0003 0.0039 1703 PHE 94 O 0.0018 -0.0004 0.0033 1704 PHE 94 CB 0.0025 0.0012 0.0056 1705 PHE 94 CG 0.0024 0.0020 0.0066 1706 PHE 94 CD1 0.0023 0.0027 0.0072 1707 PHE 94 CD2 0.0025 0.0022 0.0069 1708 PHE 94 CE1 0.0023 0.0035 0.0082 1709 PHE 94 CE2 0.0025 0.0030 0.0078 1710 PHE 94 CZ 0.0024 0.0036 0.0084 1711 VAL 95 N 0.0011 0.0004 0.0037 1712 VAL 95 CA 0.0014 -0.0004 0.0030 1713 VAL 95 C 0.0018 -0.0003 0.0035 1714 VAL 95 O 0.0013 0.0003 0.0038 1715 VAL 95 CB 0.0003 -0.0006 0.0021 1716 VAL 95 CG1 0.0006 -0.0013 0.0014 1717 VAL 95 CG2 -0.0001 -0.0008 0.0015 1718 LYS 96 N 0.0028 -0.0009 0.0034 1719 LYS 96 CA 0.0034 -0.0009 0.0039 1720 LYS 96 C 0.0037 -0.0017 0.0031 1721 LYS 96 O 0.0035 -0.0023 0.0022 1722 LYS 96 CB 0.0045 -0.0008 0.0047 1723 LYS 96 CG 0.0043 0.0001 0.0056 1724 LYS 96 CD 0.0039 0.0008 0.0062 1725 LYS 96 CE 0.0037 0.0017 0.0070 1726 LYS 96 NZ 0.0047 0.0017 0.0078 1727 LYS 97 N 0.0042 -0.0129 0.0037 1728 LYS 97 CA 0.0028 -0.0093 0.0038 1729 LYS 97 C -0.0012 -0.0096 0.0042 1730 LYS 97 O -0.0028 -0.0119 0.0044 1731 LYS 97 CB 0.0039 -0.0071 0.0036 1732 LYS 97 CG 0.0029 -0.0033 0.0037 1733 LYS 97 CD 0.0047 -0.0013 0.0034 1734 LYS 97 CE 0.0035 0.0025 0.0035 1735 LYS 97 NZ 0.0046 0.0044 0.0033 1736 ASP 98 N -0.0028 -0.0071 0.0043 1737 ASP 98 CA -0.0066 -0.0068 0.0047 1738 ASP 98 C -0.0074 -0.0028 0.0047 1739 ASP 98 O -0.0051 -0.0006 0.0044 1740 ASP 98 CB -0.0080 -0.0086 0.0049 1741 ASP 98 CG -0.0119 -0.0094 0.0053 1742 ASP 98 OD1 -0.0135 -0.0085 0.0055 1743 ASP 98 OD2 -0.0133 -0.0110 0.0055 1744 GLN 99 N -0.0108 -0.0020 0.0050 1745 GLN 99 CA -0.0120 0.0017 0.0051 1746 GLN 99 C -0.0108 0.0037 0.0049 1747 GLN 99 O -0.0093 0.0066 0.0047 1748 GLN 99 CB -0.0160 0.0019 0.0055 1749 GLN 99 CG -0.0174 0.0056 0.0056 1750 GLN 99 CD -0.0214 0.0056 0.0060 1751 GLN 99 OE1 -0.0231 0.0029 0.0062 1752 GLN 99 NE2 -0.0229 0.0088 0.0061 1753 VAL 37 N 0.0113 0.0021 0.0128 1754 VAL 37 CA 0.0093 0.0014 0.0110 1755 VAL 37 C 0.0069 0.0008 0.0103 1756 VAL 37 O 0.0045 0.0002 0.0097 1757 VAL 37 CB 0.0083 0.0014 0.0124 1758 VAL 37 CG1 0.0106 0.0018 0.0121 1759 VAL 37 CG2 0.0076 0.0018 0.0156 1760 LEU 38 N 0.0077 0.0010 0.0105 1761 LEU 38 CA 0.0056 0.0005 0.0099 1762 LEU 38 C 0.0048 -0.0002 0.0068 1763 LEU 38 O 0.0023 -0.0008 0.0061 1764 LEU 38 CB 0.0069 0.0009 0.0109 1765 LEU 38 CG 0.0065 0.0013 0.0140 1766 LEU 38 CD1 0.0034 0.0009 0.0147 1767 LEU 38 CD2 0.0076 0.0020 0.0163 1768 TYR 39 N 0.0070 -0.0001 0.0048 1769 TYR 39 CA 0.0067 -0.0007 0.0016 1770 TYR 39 C 0.0050 -0.0012 0.0006 1771 TYR 39 O 0.0026 -0.0019 -0.0006 1772 TYR 39 CB 0.0053 -0.0011 0.0006 1773 TYR 39 CG 0.0072 -0.0007 0.0009 1774 TYR 39 CD1 0.0093 -0.0007 -0.0011 1775 TYR 39 CD2 0.0068 -0.0004 0.0032 1776 TYR 39 CE1 0.0110 -0.0003 -0.0009 1777 TYR 39 CE2 0.0084 -0.0001 0.0035 1778 TYR 39 CZ 0.0106 0.0000 0.0015 1779 TYR 39 OH 0.0123 0.0004 0.0017 1780 VAL 40 N 0.0062 -0.0009 0.0009 1781 VAL 40 CA 0.0048 -0.0014 -0.0001 1782 VAL 40 C 0.0051 -0.0019 -0.0034 1783 VAL 40 O 0.0031 -0.0025 -0.0048 1784 VAL 40 CB 0.0061 -0.0009 0.0014 1785 VAL 40 CG1 0.0048 -0.0013 0.0004 1786 VAL 40 CG2 0.0056 -0.0004 0.0047 1787 GLY 41 N 0.0044 -0.0036 -0.0064 1788 GLY 41 CA 0.0045 -0.0037 -0.0067 1789 GLY 41 C 0.0043 -0.0039 -0.0049 1790 GLY 41 O 0.0047 -0.0050 -0.0047 1791 SER 42 N 0.0038 -0.0027 -0.0036 1792 SER 42 CA 0.0036 -0.0030 -0.0017 1793 SER 42 C 0.0036 -0.0029 -0.0015 1794 SER 42 O 0.0038 -0.0040 -0.0005 1795 SER 42 CB 0.0030 -0.0017 -0.0004 1796 SER 42 OG 0.0029 -0.0019 0.0014 1797 LYS 43 N 0.0033 -0.0017 -0.0026 1798 LYS 43 CA 0.0033 -0.0017 -0.0028 1799 LYS 43 C 0.0031 -0.0005 -0.0046 1800 LYS 43 O 0.0026 0.0010 -0.0047 1801 LYS 43 CB 0.0029 -0.0009 -0.0012 1802 LYS 43 CG 0.0029 -0.0012 -0.0014 1803 LYS 43 CD 0.0025 -0.0005 0.0003 1804 LYS 43 CE 0.0027 -0.0009 0.0001 1805 LYS 43 NZ 0.0025 0.0001 -0.0015 1806 THR 44 N 0.0036 -0.0014 -0.0060 1807 THR 44 CA 0.0035 -0.0004 -0.0077 1808 THR 44 C 0.0036 -0.0008 -0.0079 1809 THR 44 O 0.0040 -0.0022 -0.0072 1810 THR 44 CB 0.0038 -0.0009 -0.0094 1811 THR 44 OG1 0.0045 -0.0028 -0.0097 1812 THR 44 CG2 0.0037 -0.0006 -0.0092 1813 LYS 45 N 0.0003 0.0008 -0.0077 1814 LYS 45 CA -0.0001 0.0001 -0.0054 1815 LYS 45 C 0.0009 0.0014 -0.0061 1816 LYS 45 O 0.0026 0.0034 -0.0053 1817 LYS 45 CB 0.0004 0.0006 -0.0023 1818 LYS 45 CG -0.0003 -0.0004 0.0002 1819 LYS 45 CD 0.0001 -0.0002 0.0032 1820 LYS 45 CE -0.0007 -0.0013 0.0057 1821 LYS 45 NZ -0.0004 -0.0012 0.0087 1822 GLU 46 N -0.0001 0.0003 -0.0076 1823 GLU 46 CA 0.0009 0.0016 -0.0089 1824 GLU 46 C -0.0002 0.0003 -0.0086 1825 GLU 46 O -0.0019 -0.0017 -0.0096 1826 GLU 46 CB 0.0012 0.0022 -0.0122 1827 GLU 46 CG -0.0005 0.0003 -0.0141 1828 GLU 46 CD 0.0001 0.0011 -0.0171 1829 GLU 46 OE1 0.0018 0.0032 -0.0176 1830 GLU 46 OE2 -0.0012 -0.0002 -0.0189 1831 GLY 47 N 0.0008 0.0013 -0.0073 1832 GLY 47 CA -0.0002 0.0002 -0.0066 1833 GLY 47 C -0.0012 -0.0012 -0.0037 1834 GLY 47 O -0.0028 -0.0031 -0.0036 1835 VAL 48 N -0.0003 -0.0003 -0.0014 1836 VAL 48 CA -0.0012 -0.0016 0.0013 1837 VAL 48 C -0.0002 -0.0006 0.0039 1838 VAL 48 O 0.0016 0.0015 0.0041 1839 VAL 48 CB -0.0013 -0.0017 0.0018 1840 VAL 48 CG1 -0.0022 -0.0030 0.0046 1841 VAL 48 CG2 -0.0023 -0.0028 -0.0008 1842 VAL 49 N -0.0027 0.0006 0.0068 1843 VAL 49 CA -0.0027 0.0003 0.0066 1844 VAL 49 C -0.0017 -0.0003 0.0072 1845 VAL 49 O -0.0010 -0.0011 0.0072 1846 VAL 49 CB -0.0031 -0.0004 0.0053 1847 VAL 49 CG1 -0.0029 -0.0009 0.0051 1848 VAL 49 CG2 -0.0041 0.0002 0.0047 1849 HIS 50 N -0.0015 0.0000 0.0078 1850 HIS 50 CA -0.0005 -0.0005 0.0084 1851 HIS 50 C -0.0005 -0.0005 0.0085 1852 HIS 50 O -0.0010 0.0003 0.0088 1853 HIS 50 CB 0.0000 -0.0002 0.0095 1854 HIS 50 CG -0.0003 0.0009 0.0103 1855 HIS 50 ND1 0.0001 0.0011 0.0110 1856 HIS 50 CD2 -0.0009 0.0018 0.0106 1857 HIS 50 CE1 -0.0003 0.0021 0.0117 1858 HIS 50 NE2 -0.0009 0.0025 0.0114 1859 GLY 51 N 0.0002 -0.0014 0.0084 1860 GLY 51 CA 0.0003 -0.0015 0.0085 1861 GLY 51 C -0.0004 -0.0016 0.0075 1862 GLY 51 O -0.0010 -0.0009 0.0075 1863 VAL 52 N -0.0004 -0.0024 0.0066 1864 VAL 52 CA -0.0010 -0.0026 0.0055 1865 VAL 52 C -0.0005 -0.0036 0.0051 1866 VAL 52 O 0.0002 -0.0044 0.0051 1867 VAL 52 CB -0.0017 -0.0027 0.0047 1868 VAL 52 CG1 -0.0023 -0.0029 0.0036 1869 VAL 52 CG2 -0.0023 -0.0016 0.0050 1870 ALA 53 N -0.0007 -0.0068 0.0034 1871 ALA 53 CA -0.0002 -0.0065 0.0015 1872 ALA 53 C -0.0011 -0.0071 0.0010 1873 ALA 53 O -0.0026 -0.0081 0.0015 1874 ALA 53 CB -0.0005 -0.0068 -0.0002 1875 THR 54 N -0.0002 -0.0066 0.0001 1876 THR 54 CA -0.0008 -0.0070 -0.0002 1877 THR 54 C -0.0000 -0.0066 -0.0021 1878 THR 54 O 0.0015 -0.0056 -0.0024 1879 THR 54 CB -0.0005 -0.0067 0.0016 1880 THR 54 OG1 -0.0013 -0.0071 0.0034 1881 THR 54 CG2 -0.0011 -0.0072 0.0012 1882 VAL 55 N -0.0011 -0.0074 -0.0034 1883 VAL 55 CA -0.0006 -0.0072 -0.0053 1884 VAL 55 C -0.0014 -0.0077 -0.0054 1885 VAL 55 O -0.0029 -0.0087 -0.0051 1886 VAL 55 CB -0.0010 -0.0075 -0.0072 1887 VAL 55 CG1 -0.0005 -0.0074 -0.0091 1888 VAL 55 CG2 -0.0001 -0.0070 -0.0071 1889 ALA 56 N -0.0004 -0.0071 -0.0057 1890 ALA 56 CA -0.0010 -0.0075 -0.0058 1891 ALA 56 C -0.0003 -0.0071 -0.0077 1892 ALA 56 O 0.0012 -0.0061 -0.0079 1893 ALA 56 CB -0.0006 -0.0071 -0.0040 1894 GLU 57 N -0.0010 -0.0039 -0.0085 1895 GLU 57 CA -0.0006 -0.0032 -0.0099 1896 GLU 57 C -0.0008 -0.0036 -0.0092 1897 GLU 57 O -0.0019 -0.0049 -0.0092 1898 GLU 57 CB -0.0014 -0.0036 -0.0119 1899 GLU 57 CG -0.0011 -0.0031 -0.0128 1900 GLU 57 CD -0.0019 -0.0035 -0.0148 1901 GLU 57 OE1 -0.0028 -0.0044 -0.0154 1902 GLU 57 OE2 -0.0017 -0.0030 -0.0158 1903 LYS 58 N 0.0002 -0.0025 -0.0086 1904 LYS 58 CA 0.0002 -0.0028 -0.0077 1905 LYS 58 C 0.0009 -0.0017 -0.0086 1906 LYS 58 O 0.0020 -0.0003 -0.0084 1907 LYS 58 CB 0.0007 -0.0027 -0.0055 1908 LYS 58 CG -0.0001 -0.0039 -0.0044 1909 LYS 58 CD 0.0005 -0.0038 -0.0022 1910 LYS 58 CE -0.0003 -0.0050 -0.0011 1911 LYS 58 NZ 0.0002 -0.0049 0.0010 1912 THR 59 N 0.0002 -0.0023 -0.0098 1913 THR 59 CA 0.0008 -0.0013 -0.0109 1914 THR 59 C 0.0015 -0.0007 -0.0095 1915 THR 59 O 0.0025 0.0006 -0.0099 1916 THR 59 CB -0.0003 -0.0021 -0.0124 1917 THR 59 OG1 -0.0010 -0.0027 -0.0135 1918 THR 59 CG2 0.0003 -0.0011 -0.0137 1919 LYS 60 N 0.0011 -0.0016 -0.0079 1920 LYS 60 CA 0.0019 -0.0010 -0.0065 1921 LYS 60 C 0.0016 -0.0018 -0.0045 1922 LYS 60 O 0.0006 -0.0032 -0.0042 1923 LYS 60 CB 0.0016 -0.0012 -0.0071 1924 LYS 60 CG 0.0025 -0.0004 -0.0059 1925 LYS 60 CD 0.0022 -0.0006 -0.0066 1926 LYS 60 CE 0.0031 0.0002 -0.0054 1927 LYS 60 NZ 0.0029 0.0001 -0.0061 1928 GLU 61 N 0.0007 0.0036 -0.0023 1929 GLU 61 CA 0.0005 0.0035 -0.0015 1930 GLU 61 C 0.0009 0.0038 -0.0011 1931 GLU 61 O 0.0015 0.0042 -0.0010 1932 GLU 61 CB 0.0007 0.0036 -0.0011 1933 GLU 61 CG 0.0006 0.0035 -0.0002 1934 GLU 61 CD 0.0008 0.0036 0.0002 1935 GLU 61 OE1 0.0010 0.0038 -0.0003 1936 GLU 61 OE2 0.0007 0.0035 0.0009 1937 GLN 62 N 0.0006 0.0035 -0.0007 1938 GLN 62 CA 0.0009 0.0037 -0.0004 1939 GLN 62 C 0.0006 0.0035 0.0004 1940 GLN 62 O 0.0001 0.0030 0.0006 1941 GLN 62 CB 0.0007 0.0036 -0.0009 1942 GLN 62 CG 0.0010 0.0038 -0.0006 1943 GLN 62 CD 0.0008 0.0037 -0.0012 1944 GLN 62 OE1 0.0005 0.0035 -0.0018 1945 GLN 62 NE2 0.0011 0.0039 -0.0010 1946 VAL 63 N 0.0011 0.0038 0.0010 1947 VAL 63 CA 0.0009 0.0036 0.0018 1948 VAL 63 C 0.0013 0.0039 0.0022 1949 VAL 63 O 0.0019 0.0043 0.0024 1950 VAL 63 CB 0.0010 0.0037 0.0023 1951 VAL 63 CG1 0.0009 0.0035 0.0032 1952 VAL 63 CG2 0.0007 0.0034 0.0020 1953 THR 64 N 0.0011 0.0037 0.0022 1954 THR 64 CA 0.0014 0.0040 0.0025 1955 THR 64 C 0.0011 0.0036 0.0032 1956 THR 64 O 0.0006 0.0033 0.0030 1957 THR 64 CB 0.0015 0.0040 0.0018 1958 THR 64 OG1 0.0009 0.0036 0.0016 1959 THR 64 CG2 0.0017 0.0043 0.0011 1960 ASN 65 N -0.0006 0.0061 0.0013 1961 ASN 65 CA 0.0000 0.0053 0.0022 1962 ASN 65 C 0.0007 0.0060 0.0032 1963 ASN 65 O 0.0008 0.0070 0.0032 1964 ASN 65 CB -0.0001 0.0042 0.0021 1965 ASN 65 CG 0.0000 0.0044 0.0022 1966 ASN 65 OD1 0.0004 0.0053 0.0027 1967 ASN 65 ND2 -0.0003 0.0036 0.0018 1968 VAL 66 N 0.0013 0.0054 0.0040 1969 VAL 66 CA 0.0020 0.0059 0.0050 1970 VAL 66 C 0.0024 0.0048 0.0055 1971 VAL 66 O 0.0023 0.0037 0.0054 1972 VAL 66 CB 0.0025 0.0064 0.0056 1973 VAL 66 CG1 0.0021 0.0073 0.0050 1974 VAL 66 CG2 0.0029 0.0055 0.0062 1975 GLY 67 N 0.0028 0.0051 0.0061 1976 GLY 67 CA 0.0032 0.0042 0.0067 1977 GLY 67 C 0.0028 0.0032 0.0061 1978 GLY 67 O 0.0031 0.0024 0.0066 1979 GLY 68 N 0.0021 0.0031 0.0051 1980 GLY 68 CA 0.0017 0.0020 0.0046 1981 GLY 68 C 0.0010 0.0024 0.0037 1982 GLY 68 O 0.0009 0.0035 0.0035 1983 ALA 69 N 0.0005 0.0021 0.0043 1984 ALA 69 CA 0.0001 0.0018 0.0044 1985 ALA 69 C -0.0000 0.0019 0.0047 1986 ALA 69 O 0.0002 0.0020 0.0045 1987 ALA 69 CB 0.0001 0.0013 0.0039 1988 VAL 70 N -0.0004 0.0020 0.0051 1989 VAL 70 CA -0.0005 0.0022 0.0055 1990 VAL 70 C -0.0010 0.0018 0.0056 1991 VAL 70 O -0.0013 0.0016 0.0056 1992 VAL 70 CB -0.0006 0.0026 0.0059 1993 VAL 70 CG1 -0.0007 0.0028 0.0063 1994 VAL 70 CG2 -0.0001 0.0030 0.0059 1995 VAL 71 N -0.0009 0.0018 0.0055 1996 VAL 71 CA -0.0013 0.0015 0.0056 1997 VAL 71 C -0.0015 0.0018 0.0061 1998 VAL 71 O -0.0012 0.0022 0.0061 1999 VAL 71 CB -0.0012 0.0012 0.0052 2000 VAL 71 CG1 -0.0016 0.0010 0.0054 2001 VAL 71 CG2 -0.0011 0.0009 0.0048 2002 THR 72 N -0.0019 0.0017 0.0065 2003 THR 72 CA -0.0021 0.0020 0.0069 2004 THR 72 C -0.0025 0.0017 0.0070 2005 THR 72 O -0.0028 0.0014 0.0071 2006 THR 72 CB -0.0022 0.0023 0.0073 2007 THR 72 OG1 -0.0026 0.0020 0.0073 2008 THR 72 CG2 -0.0018 0.0026 0.0072 2009 GLY 73 N -0.0036 -0.0001 0.0092 2010 GLY 73 CA -0.0042 -0.0002 0.0096 2011 GLY 73 C -0.0047 -0.0010 0.0093 2012 GLY 73 O -0.0054 -0.0013 0.0097 2013 VAL 74 N -0.0045 -0.0012 0.0086 2014 VAL 74 CA -0.0050 -0.0019 0.0083 2015 VAL 74 C -0.0051 -0.0018 0.0086 2016 VAL 74 O -0.0047 -0.0013 0.0088 2017 VAL 74 CB -0.0047 -0.0023 0.0074 2018 VAL 74 CG1 -0.0044 -0.0023 0.0071 2019 VAL 74 CG2 -0.0041 -0.0021 0.0070 2020 THR 75 N -0.0058 -0.0023 0.0087 2021 THR 75 CA -0.0060 -0.0023 0.0091 2022 THR 75 C -0.0064 -0.0030 0.0087 2023 THR 75 O -0.0069 -0.0035 0.0085 2024 THR 75 CB -0.0065 -0.0020 0.0100 2025 THR 75 OG1 -0.0060 -0.0014 0.0104 2026 THR 75 CG2 -0.0067 -0.0019 0.0104 2027 ALA 76 N -0.0063 -0.0030 0.0085 2028 ALA 76 CA -0.0067 -0.0036 0.0082 2029 ALA 76 C -0.0067 -0.0042 0.0074 2030 ALA 76 O -0.0073 -0.0048 0.0073 2031 ALA 76 CB -0.0075 -0.0038 0.0089 2032 VAL 77 N -0.0055 -0.0037 0.0074 2033 VAL 77 CA -0.0064 -0.0043 0.0053 2034 VAL 77 C -0.0056 -0.0037 0.0033 2035 VAL 77 O -0.0038 -0.0025 0.0031 2036 VAL 77 CB -0.0061 -0.0041 0.0051 2037 VAL 77 CG1 -0.0070 -0.0047 0.0029 2038 VAL 77 CG2 -0.0069 -0.0047 0.0071 2039 ALA 78 N -0.0067 -0.0045 0.0017 2040 ALA 78 CA -0.0060 -0.0040 -0.0001 2041 ALA 78 C -0.0073 -0.0048 -0.0022 2042 ALA 78 O -0.0088 -0.0058 -0.0023 2043 ALA 78 CB -0.0059 -0.0039 0.0006 2044 GLN 79 N -0.0066 -0.0043 -0.0040 2045 GLN 79 CA -0.0076 -0.0050 -0.0061 2046 GLN 79 C -0.0066 -0.0043 -0.0080 2047 GLN 79 O -0.0050 -0.0031 -0.0078 2048 GLN 79 CB -0.0079 -0.0051 -0.0067 2049 GLN 79 CG -0.0061 -0.0039 -0.0073 2050 GLN 79 CD -0.0065 -0.0042 -0.0079 2051 GLN 79 OE1 -0.0081 -0.0053 -0.0079 2052 GLN 79 NE2 -0.0050 -0.0031 -0.0085 2053 LYS 80 N -0.0077 -0.0050 -0.0099 2054 LYS 80 CA -0.0069 -0.0044 -0.0120 2055 LYS 80 C -0.0077 -0.0049 -0.0139 2056 LYS 80 O -0.0093 -0.0060 -0.0137 2057 LYS 80 CB -0.0073 -0.0046 -0.0126 2058 LYS 80 CG -0.0062 -0.0038 -0.0146 2059 LYS 80 CD -0.0066 -0.0041 -0.0153 2060 LYS 80 CE -0.0055 -0.0033 -0.0174 2061 LYS 80 NZ -0.0059 -0.0036 -0.0183 2062 THR 81 N -0.0073 -0.0029 -0.0147 2063 THR 81 CA -0.0076 -0.0038 -0.0179 2064 THR 81 C -0.0059 -0.0037 -0.0222 2065 THR 81 O -0.0025 -0.0020 -0.0227 2066 THR 81 CB -0.0056 -0.0024 -0.0168 2067 THR 81 OG1 -0.0073 -0.0025 -0.0127 2068 THR 81 CG2 -0.0061 -0.0034 -0.0201 2069 VAL 82 N -0.0082 -0.0057 -0.0253 2070 VAL 82 CA -0.0069 -0.0059 -0.0298 2071 VAL 82 C -0.0066 -0.0062 -0.0321 2072 VAL 82 O -0.0096 -0.0079 -0.0322 2073 VAL 82 CB -0.0095 -0.0077 -0.0318 2074 VAL 82 CG1 -0.0082 -0.0080 -0.0366 2075 VAL 82 CG2 -0.0095 -0.0072 -0.0296 2076 GLU 83 N -0.0032 -0.0048 -0.0340 2077 GLU 83 CA -0.0023 -0.0048 -0.0365 2078 GLU 83 C -0.0034 -0.0049 -0.0339 2079 GLU 83 O -0.0059 -0.0064 -0.0349 2080 GLU 83 CB -0.0042 -0.0068 -0.0407 2081 GLU 83 CG -0.0028 -0.0066 -0.0438 2082 GLU 83 CD -0.0046 -0.0085 -0.0479 2083 GLU 83 OE1 -0.0072 -0.0100 -0.0483 2084 GLU 83 OE2 -0.0034 -0.0084 -0.0508 2085 GLY 84 N -0.0014 -0.0031 -0.0306 2086 GLY 84 CA -0.0018 -0.0028 -0.0281 2087 GLY 84 C 0.0008 -0.0006 -0.0245 2088 GLY 84 O 0.0027 0.0006 -0.0239 2089 ALA 85 N -0.0045 -0.0011 -0.0263 2090 ALA 85 CA -0.0027 -0.0003 -0.0241 2091 ALA 85 C -0.0038 -0.0011 -0.0212 2092 ALA 85 O -0.0059 -0.0023 -0.0207 2093 ALA 85 CB -0.0020 0.0001 -0.0244 2094 GLY 86 N -0.0023 -0.0005 -0.0192 2095 GLY 86 CA -0.0032 -0.0011 -0.0164 2096 GLY 86 C -0.0015 -0.0004 -0.0140 2097 GLY 86 O 0.0005 0.0007 -0.0135 2098 SER 87 N -0.0023 -0.0009 -0.0125 2099 SER 87 CA -0.0009 -0.0004 -0.0101 2100 SER 87 C -0.0023 -0.0013 -0.0075 2101 SER 87 O -0.0042 -0.0024 -0.0069 2102 SER 87 CB -0.0007 -0.0002 -0.0104 2103 SER 87 OG 0.0008 0.0007 -0.0127 2104 ILE 88 N -0.0012 -0.0008 -0.0058 2105 ILE 88 CA -0.0025 -0.0017 -0.0035 2106 ILE 88 C -0.0027 -0.0020 -0.0011 2107 ILE 88 O -0.0048 -0.0031 -0.0003 2108 ILE 88 CB -0.0014 -0.0011 -0.0026 2109 ILE 88 CG1 -0.0019 -0.0013 -0.0050 2110 ILE 88 CG2 -0.0024 -0.0019 0.0001 2111 ILE 88 CD1 -0.0006 -0.0006 -0.0047 2112 ALA 89 N -0.0011 -0.0043 -0.0003 2113 ALA 89 CA -0.0009 -0.0036 0.0013 2114 ALA 89 C 0.0005 -0.0035 0.0013 2115 ALA 89 O 0.0018 -0.0032 0.0016 2116 ALA 89 CB -0.0006 -0.0032 0.0024 2117 ALA 90 N 0.0001 -0.0037 0.0009 2118 ALA 90 CA 0.0013 -0.0036 0.0008 2119 ALA 90 C 0.0010 -0.0031 0.0021 2120 ALA 90 O -0.0004 -0.0030 0.0027 2121 ALA 90 CB 0.0012 -0.0042 -0.0007 2122 ALA 91 N 0.0023 -0.0028 0.0026 2123 ALA 91 CA 0.0022 -0.0023 0.0039 2124 ALA 91 C 0.0035 -0.0022 0.0037 2125 ALA 91 O 0.0049 -0.0021 0.0036 2126 ALA 91 CB 0.0023 -0.0017 0.0054 2127 THR 92 N 0.0030 -0.0023 0.0037 2128 THR 92 CA 0.0042 -0.0022 0.0035 2129 THR 92 C 0.0040 -0.0017 0.0049 2130 THR 92 O 0.0026 -0.0016 0.0055 2131 THR 92 CB 0.0040 -0.0028 0.0020 2132 THR 92 OG1 0.0025 -0.0029 0.0021 2133 THR 92 CG2 0.0041 -0.0033 0.0007 2134 GLY 93 N 0.0061 -0.0050 0.0069 2135 GLY 93 CA 0.0055 -0.0049 0.0091 2136 GLY 93 C 0.0045 -0.0041 0.0105 2137 GLY 93 O 0.0034 -0.0031 0.0118 2138 PHE 94 N 0.0048 -0.0045 0.0103 2139 PHE 94 CA 0.0040 -0.0038 0.0117 2140 PHE 94 C 0.0041 -0.0035 0.0103 2141 PHE 94 O 0.0052 -0.0046 0.0091 2142 PHE 94 CB 0.0046 -0.0052 0.0137 2143 PHE 94 CG 0.0043 -0.0054 0.0154 2144 PHE 94 CD1 0.0031 -0.0043 0.0170 2145 PHE 94 CD2 0.0053 -0.0067 0.0153 2146 PHE 94 CE1 0.0029 -0.0045 0.0186 2147 PHE 94 CE2 0.0051 -0.0069 0.0169 2148 PHE 94 CZ 0.0039 -0.0058 0.0185 2149 VAL 95 N 0.0029 -0.0020 0.0105 2150 VAL 95 CA 0.0028 -0.0016 0.0095 2151 VAL 95 C 0.0019 -0.0009 0.0112 2152 VAL 95 O 0.0007 0.0004 0.0121 2153 VAL 95 CB 0.0023 -0.0002 0.0075 2154 VAL 95 CG1 0.0020 0.0004 0.0067 2155 VAL 95 CG2 0.0032 -0.0008 0.0056 2156 LYS 96 N 0.0025 -0.0018 0.0118 2157 LYS 96 CA 0.0017 -0.0014 0.0135 2158 LYS 96 C 0.0017 -0.0010 0.0125 2159 LYS 96 O 0.0023 -0.0012 0.0106 2160 LYS 96 CB 0.0024 -0.0029 0.0154 2161 LYS 96 CG 0.0024 -0.0032 0.0167 2162 LYS 96 CD 0.0009 -0.0018 0.0181 2163 LYS 96 CE 0.0008 -0.0021 0.0193 2164 LYS 96 NZ 0.0016 -0.0036 0.0210 2165 LYS 97 N -0.0061 0.0018 0.0156 2166 LYS 97 CA -0.0053 -0.0003 0.0153 2167 LYS 97 C -0.0030 -0.0002 0.0129 2168 LYS 97 O -0.0020 0.0005 0.0116 2169 LYS 97 CB -0.0055 -0.0034 0.0163 2170 LYS 97 CG -0.0049 -0.0058 0.0163 2171 LYS 97 CD -0.0063 -0.0055 0.0177 2172 LYS 97 CE -0.0056 -0.0078 0.0176 2173 LYS 97 NZ -0.0057 -0.0107 0.0184 2174 ASP 98 N -0.0024 -0.0007 0.0123 2175 ASP 98 CA -0.0002 -0.0009 0.0101 2176 ASP 98 C 0.0003 -0.0034 0.0102 2177 ASP 98 O -0.0010 -0.0050 0.0120 2178 ASP 98 CB 0.0001 0.0020 0.0091 2179 ASP 98 CG 0.0023 0.0024 0.0066 2180 ASP 98 OD1 0.0037 0.0003 0.0057 2181 ASP 98 OD2 0.0028 0.0047 0.0056 2182 GLN 99 N 0.0022 -0.0039 0.0084 2183 GLN 99 CA 0.0029 -0.0062 0.0082 2184 GLN 99 C 0.0018 -0.0058 0.0093 2185 GLN 99 O 0.0010 -0.0077 0.0106 2186 GLN 99 CB 0.0052 -0.0065 0.0059 2187 GLN 99 CG 0.0061 -0.0090 0.0056 2188 GLN 99 CD 0.0084 -0.0093 0.0032 2189 GLN 99 OE1 0.0093 -0.0075 0.0018 2190 GLN 99 NE2 0.0093 -0.0114 0.0028 2191 VAL 37 N -0.0010 -0.0080 0.0161 2192 VAL 37 CA -0.0047 -0.0079 0.0136 2193 VAL 37 C -0.0059 -0.0079 0.0130 2194 VAL 37 O -0.0093 -0.0083 0.0121 2195 VAL 37 CB -0.0079 -0.0094 0.0152 2196 VAL 37 CG1 -0.0069 -0.0089 0.0147 2197 VAL 37 CG2 -0.0077 -0.0113 0.0195 2198 LEU 38 N -0.0028 -0.0073 0.0134 2199 LEU 38 CA -0.0035 -0.0073 0.0129 2200 LEU 38 C -0.0048 -0.0057 0.0088 2201 LEU 38 O -0.0077 -0.0061 0.0080 2202 LEU 38 CB 0.0003 -0.0070 0.0144 2203 LEU 38 CG 0.0012 -0.0086 0.0185 2204 LEU 38 CD1 -0.0016 -0.0098 0.0196 2205 LEU 38 CD2 0.0012 -0.0099 0.0213 2206 TYR 39 N -0.0026 -0.0040 0.0062 2207 TYR 39 CA -0.0035 -0.0023 0.0021 2208 TYR 39 C -0.0036 -0.0018 0.0009 2209 TYR 39 O -0.0067 -0.0020 -0.0005 2210 TYR 39 CB -0.0074 -0.0026 0.0006 2211 TYR 39 CG -0.0072 -0.0026 0.0007 2212 TYR 39 CD1 -0.0054 -0.0009 -0.0020 2213 TYR 39 CD2 -0.0088 -0.0043 0.0036 2214 TYR 39 CE1 -0.0053 -0.0010 -0.0020 2215 TYR 39 CE2 -0.0087 -0.0044 0.0037 2216 TYR 39 CZ -0.0069 -0.0027 0.0009 2217 TYR 39 OH -0.0068 -0.0027 0.0010 2218 VAL 40 N -0.0001 -0.0013 0.0016 2219 VAL 40 CA 0.0001 -0.0007 0.0006 2220 VAL 40 C 0.0002 0.0012 -0.0037 2221 VAL 40 O -0.0017 0.0016 -0.0055 2222 VAL 40 CB 0.0039 -0.0008 0.0028 2223 VAL 40 CG1 0.0043 -0.0002 0.0016 2224 VAL 40 CG2 0.0036 -0.0028 0.0070 2225 GLY 41 N 0.0031 0.0019 -0.0085 2226 GLY 41 CA 0.0029 0.0026 -0.0085 2227 GLY 41 C 0.0018 0.0026 -0.0059 2228 GLY 41 O 0.0018 0.0013 -0.0055 2229 SER 42 N 0.0008 0.0038 -0.0042 2230 SER 42 CA -0.0003 0.0034 -0.0015 2231 SER 42 C -0.0007 0.0044 -0.0009 2232 SER 42 O -0.0011 0.0031 0.0006 2233 SER 42 CB -0.0012 0.0049 -0.0001 2234 SER 42 OG -0.0022 0.0046 0.0025 2235 LYS 43 N -0.0005 0.0067 -0.0021 2236 LYS 43 CA -0.0007 0.0075 -0.0021 2237 LYS 43 C -0.0000 0.0095 -0.0044 2238 LYS 43 O -0.0003 0.0116 -0.0045 2239 LYS 43 CB -0.0019 0.0087 0.0003 2240 LYS 43 CG -0.0021 0.0093 0.0004 2241 LYS 43 CD -0.0034 0.0104 0.0028 2242 LYS 43 CE -0.0035 0.0107 0.0030 2243 LYS 43 NZ -0.0030 0.0127 0.0011 2244 THR 44 N 0.0008 0.0088 -0.0061 2245 THR 44 CA 0.0014 0.0106 -0.0081 2246 THR 44 C 0.0013 0.0109 -0.0080 2247 THR 44 O 0.0012 0.0091 -0.0071 2248 THR 44 CB 0.0027 0.0097 -0.0106 2249 THR 44 OG1 0.0033 0.0072 -0.0110 2250 THR 44 CG2 0.0028 0.0093 -0.0108 2251 LYS 45 N 0.0038 0.0123 -0.0075 2252 LYS 45 CA 0.0033 0.0113 -0.0049 2253 LYS 45 C 0.0044 0.0130 -0.0061 2254 LYS 45 O 0.0063 0.0157 -0.0052 2255 LYS 45 CB 0.0040 0.0119 -0.0008 2256 LYS 45 CG 0.0033 0.0105 0.0020 2257 LYS 45 CD 0.0037 0.0108 0.0060 2258 LYS 45 CE 0.0028 0.0092 0.0088 2259 LYS 45 NZ 0.0032 0.0094 0.0128 2260 GLU 46 N 0.0032 0.0115 -0.0083 2261 GLU 46 CA 0.0043 0.0132 -0.0104 2262 GLU 46 C 0.0030 0.0113 -0.0104 2263 GLU 46 O 0.0011 0.0087 -0.0117 2264 GLU 46 CB 0.0046 0.0140 -0.0143 2265 GLU 46 CG 0.0027 0.0114 -0.0166 2266 GLU 46 CD 0.0033 0.0127 -0.0202 2267 GLU 46 OE1 0.0052 0.0155 -0.0207 2268 GLU 46 OE2 0.0019 0.0108 -0.0224 2269 GLY 47 N 0.0041 0.0127 -0.0090 2270 GLY 47 CA 0.0030 0.0111 -0.0086 2271 GLY 47 C 0.0019 0.0092 -0.0049 2272 GLY 47 O 0.0002 0.0066 -0.0049 2273 VAL 48 N 0.0030 0.0104 -0.0018 2274 VAL 48 CA 0.0020 0.0086 0.0017 2275 VAL 48 C 0.0032 0.0101 0.0047 2276 VAL 48 O 0.0051 0.0129 0.0051 2277 VAL 48 CB 0.0020 0.0086 0.0028 2278 VAL 48 CG1 0.0010 0.0068 0.0064 2279 VAL 48 CG2 0.0008 0.0071 -0.0003 2280 VAL 49 N -0.0040 0.0052 0.0079 2281 VAL 49 CA -0.0040 0.0048 0.0074 2282 VAL 49 C -0.0027 0.0041 0.0082 2283 VAL 49 O -0.0019 0.0031 0.0082 2284 VAL 49 CB -0.0045 0.0040 0.0059 2285 VAL 49 CG1 -0.0043 0.0034 0.0055 2286 VAL 49 CG2 -0.0059 0.0048 0.0052 2287 HIS 50 N -0.0025 0.0045 0.0090 2288 HIS 50 CA -0.0013 0.0038 0.0097 2289 HIS 50 C -0.0012 0.0038 0.0098 2290 HIS 50 O -0.0018 0.0048 0.0101 2291 HIS 50 CB -0.0005 0.0042 0.0111 2292 HIS 50 CG -0.0009 0.0056 0.0121 2293 HIS 50 ND1 -0.0004 0.0058 0.0130 2294 HIS 50 CD2 -0.0017 0.0067 0.0124 2295 HIS 50 CE1 -0.0009 0.0071 0.0138 2296 HIS 50 NE2 -0.0017 0.0077 0.0135 2297 GLY 51 N -0.0003 0.0026 0.0095 2298 GLY 51 CA -0.0002 0.0025 0.0096 2299 GLY 51 C -0.0011 0.0024 0.0083 2300 GLY 51 O -0.0018 0.0032 0.0083 2301 VAL 52 N -0.0010 0.0013 0.0072 2302 VAL 52 CA -0.0019 0.0011 0.0059 2303 VAL 52 C -0.0012 -0.0002 0.0053 2304 VAL 52 O -0.0003 -0.0012 0.0053 2305 VAL 52 CB -0.0027 0.0010 0.0048 2306 VAL 52 CG1 -0.0035 0.0006 0.0034 2307 VAL 52 CG2 -0.0035 0.0023 0.0053 2308 ALA 53 N -0.0059 -0.0071 0.0031 2309 ALA 53 CA -0.0052 -0.0073 0.0011 2310 ALA 53 C -0.0064 -0.0083 0.0007 2311 ALA 53 O -0.0081 -0.0091 0.0011 2312 ALA 53 CB -0.0050 -0.0077 -0.0005 2313 THR 54 N -0.0057 -0.0081 -0.0003 2314 THR 54 CA -0.0067 -0.0088 -0.0006 2315 THR 54 C -0.0058 -0.0090 -0.0026 2316 THR 54 O -0.0042 -0.0080 -0.0028 2317 THR 54 CB -0.0069 -0.0083 0.0011 2318 THR 54 OG1 -0.0077 -0.0083 0.0029 2319 THR 54 CG2 -0.0079 -0.0091 0.0007 2320 VAL 55 N -0.0069 -0.0101 -0.0039 2321 VAL 55 CA -0.0063 -0.0103 -0.0058 2322 VAL 55 C -0.0075 -0.0111 -0.0059 2323 VAL 55 O -0.0092 -0.0120 -0.0056 2324 VAL 55 CB -0.0063 -0.0109 -0.0076 2325 VAL 55 CG1 -0.0058 -0.0112 -0.0095 2326 VAL 55 CG2 -0.0049 -0.0101 -0.0076 2327 ALA 56 N -0.0068 -0.0108 -0.0063 2328 ALA 56 CA -0.0078 -0.0115 -0.0064 2329 ALA 56 C -0.0070 -0.0116 -0.0083 2330 ALA 56 O -0.0055 -0.0107 -0.0085 2331 ALA 56 CB -0.0078 -0.0109 -0.0046 2332 GLU 57 N -0.0082 -0.0094 -0.0102 2333 GLU 57 CA -0.0077 -0.0085 -0.0120 2334 GLU 57 C -0.0080 -0.0089 -0.0115 2335 GLU 57 O -0.0094 -0.0101 -0.0116 2336 GLU 57 CB -0.0088 -0.0089 -0.0142 2337 GLU 57 CG -0.0084 -0.0083 -0.0150 2338 GLU 57 CD -0.0095 -0.0087 -0.0172 2339 GLU 57 OE1 -0.0106 -0.0095 -0.0180 2340 GLU 57 OE2 -0.0092 -0.0082 -0.0181 2341 LYS 58 N -0.0066 -0.0077 -0.0110 2342 LYS 58 CA -0.0067 -0.0080 -0.0102 2343 LYS 58 C -0.0058 -0.0068 -0.0115 2344 LYS 58 O -0.0042 -0.0054 -0.0113 2345 LYS 58 CB -0.0059 -0.0079 -0.0077 2346 LYS 58 CG -0.0070 -0.0093 -0.0063 2347 LYS 58 CD -0.0062 -0.0092 -0.0039 2348 LYS 58 CE -0.0073 -0.0106 -0.0025 2349 LYS 58 NZ -0.0066 -0.0105 -0.0001 2350 THR 59 N -0.0067 -0.0073 -0.0129 2351 THR 59 CA -0.0059 -0.0062 -0.0143 2352 THR 59 C -0.0049 -0.0055 -0.0131 2353 THR 59 O -0.0036 -0.0042 -0.0136 2354 THR 59 CB -0.0072 -0.0069 -0.0161 2355 THR 59 OG1 -0.0082 -0.0075 -0.0172 2356 THR 59 CG2 -0.0065 -0.0058 -0.0178 2357 LYS 60 N -0.0054 -0.0065 -0.0113 2358 LYS 60 CA -0.0044 -0.0059 -0.0100 2359 LYS 60 C -0.0047 -0.0068 -0.0076 2360 LYS 60 O -0.0061 -0.0082 -0.0072 2361 LYS 60 CB -0.0047 -0.0060 -0.0109 2362 LYS 60 CG -0.0036 -0.0052 -0.0097 2363 LYS 60 CD -0.0039 -0.0052 -0.0108 2364 LYS 60 CE -0.0028 -0.0045 -0.0097 2365 LYS 60 NZ -0.0031 -0.0045 -0.0107 2366 GLU 61 N -0.0028 -0.0013 -0.0039 2367 GLU 61 CA -0.0028 -0.0018 -0.0025 2368 GLU 61 C -0.0019 -0.0013 -0.0019 2369 GLU 61 O -0.0009 -0.0006 -0.0018 2370 GLU 61 CB -0.0027 -0.0020 -0.0019 2371 GLU 61 CG -0.0027 -0.0025 -0.0005 2372 GLU 61 CD -0.0026 -0.0027 0.0001 2373 GLU 61 OE1 -0.0025 -0.0024 -0.0006 2374 GLU 61 OE2 -0.0025 -0.0031 0.0012 2375 GLN 62 N -0.0021 -0.0017 -0.0014 2376 GLN 62 CA -0.0013 -0.0013 -0.0008 2377 GLN 62 C -0.0014 -0.0020 0.0005 2378 GLN 62 O -0.0023 -0.0027 0.0007 2379 GLN 62 CB -0.0015 -0.0011 -0.0016 2380 GLN 62 CG -0.0006 -0.0006 -0.0012 2381 GLN 62 CD -0.0008 -0.0004 -0.0021 2382 GLN 62 OE1 -0.0015 -0.0006 -0.0030 2383 GLN 62 NE2 -0.0001 0.0000 -0.0017 2384 VAL 63 N -0.0005 -0.0017 0.0015 2385 VAL 63 CA -0.0005 -0.0022 0.0028 2386 VAL 63 C 0.0005 -0.0016 0.0033 2387 VAL 63 O 0.0014 -0.0010 0.0037 2388 VAL 63 CB -0.0004 -0.0025 0.0036 2389 VAL 63 CG1 -0.0004 -0.0030 0.0050 2390 VAL 63 CG2 -0.0014 -0.0030 0.0031 2391 THR 64 N 0.0003 -0.0018 0.0034 2392 THR 64 CA 0.0012 -0.0013 0.0039 2393 THR 64 C 0.0010 -0.0019 0.0050 2394 THR 64 O 0.0003 -0.0024 0.0047 2395 THR 64 CB 0.0014 -0.0007 0.0028 2396 THR 64 OG1 0.0005 -0.0013 0.0025 2397 THR 64 CG2 0.0014 -0.0002 0.0016 2398 ASN 65 N 0.0019 -0.0000 0.0024 2399 ASN 65 CA 0.0026 -0.0013 0.0039 2400 ASN 65 C 0.0034 -0.0002 0.0055 2401 ASN 65 O 0.0034 0.0015 0.0055 2402 ASN 65 CB 0.0024 -0.0027 0.0036 2403 ASN 65 CG 0.0025 -0.0019 0.0039 2404 ASN 65 OD1 0.0030 -0.0006 0.0047 2405 ASN 65 ND2 0.0022 -0.0029 0.0032 2406 VAL 66 N 0.0040 -0.0011 0.0069 2407 VAL 66 CA 0.0048 -0.0003 0.0086 2408 VAL 66 C 0.0052 -0.0018 0.0095 2409 VAL 66 O 0.0050 -0.0034 0.0093 2410 VAL 66 CB 0.0053 0.0002 0.0096 2411 VAL 66 CG1 0.0049 0.0013 0.0086 2412 VAL 66 CG2 0.0058 -0.0013 0.0107 2413 GLY 67 N 0.0056 -0.0011 0.0104 2414 GLY 67 CA 0.0061 -0.0022 0.0114 2415 GLY 67 C 0.0056 -0.0036 0.0105 2416 GLY 67 O 0.0059 -0.0046 0.0113 2417 GLY 68 N 0.0048 -0.0037 0.0088 2418 GLY 68 CA 0.0043 -0.0052 0.0079 2419 GLY 68 C 0.0036 -0.0044 0.0064 2420 GLY 68 O 0.0035 -0.0027 0.0060 2421 ALA 69 N 0.0060 0.0000 0.0062 2422 ALA 69 CA 0.0052 -0.0005 0.0062 2423 ALA 69 C 0.0048 -0.0004 0.0064 2424 ALA 69 O 0.0051 -0.0005 0.0062 2425 ALA 69 CB 0.0053 -0.0013 0.0057 2426 VAL 70 N 0.0041 -0.0001 0.0068 2427 VAL 70 CA 0.0037 0.0001 0.0071 2428 VAL 70 C 0.0029 -0.0004 0.0071 2429 VAL 70 O 0.0024 -0.0006 0.0072 2430 VAL 70 CB 0.0035 0.0009 0.0076 2431 VAL 70 CG1 0.0030 0.0011 0.0079 2432 VAL 70 CG2 0.0043 0.0014 0.0076 2433 VAL 71 N 0.0028 -0.0007 0.0070 2434 VAL 71 CA 0.0020 -0.0012 0.0070 2435 VAL 71 C 0.0016 -0.0007 0.0074 2436 VAL 71 O 0.0019 -0.0005 0.0074 2437 VAL 71 CB 0.0021 -0.0019 0.0065 2438 VAL 71 CG1 0.0014 -0.0023 0.0066 2439 VAL 71 CG2 0.0025 -0.0024 0.0061 2440 THR 72 N 0.0008 -0.0007 0.0077 2441 THR 72 CA 0.0004 -0.0002 0.0081 2442 THR 72 C -0.0004 -0.0007 0.0082 2443 THR 72 O -0.0009 -0.0009 0.0082 2444 THR 72 CB 0.0002 0.0005 0.0086 2445 THR 72 OG1 -0.0003 0.0003 0.0086 2446 THR 72 CG2 0.0010 0.0010 0.0086 2447 GLY 73 N -0.0003 0.0004 0.0110 2448 GLY 73 CA -0.0006 0.0003 0.0111 2449 GLY 73 C -0.0011 0.0000 0.0106 2450 GLY 73 O -0.0017 -0.0002 0.0109 2451 VAL 74 N -0.0009 -0.0001 0.0099 2452 VAL 74 CA -0.0013 -0.0003 0.0094 2453 VAL 74 C -0.0012 -0.0003 0.0095 2454 VAL 74 O -0.0006 0.0000 0.0096 2455 VAL 74 CB -0.0013 -0.0005 0.0086 2456 VAL 74 CG1 -0.0013 -0.0005 0.0086 2457 VAL 74 CG2 -0.0006 -0.0003 0.0082 2458 THR 75 N -0.0017 -0.0005 0.0093 2459 THR 75 CA -0.0016 -0.0004 0.0094 2460 THR 75 C -0.0020 -0.0007 0.0088 2461 THR 75 O -0.0026 -0.0010 0.0087 2462 THR 75 CB -0.0019 -0.0004 0.0102 2463 THR 75 OG1 -0.0015 -0.0001 0.0107 2464 THR 75 CG2 -0.0017 -0.0003 0.0103 2465 ALA 76 N -0.0017 -0.0007 0.0085 2466 ALA 76 CA -0.0020 -0.0009 0.0080 2467 ALA 76 C -0.0023 -0.0011 0.0073 2468 ALA 76 O -0.0029 -0.0014 0.0071 2469 ALA 76 CB -0.0026 -0.0010 0.0084 2470 VAL 77 N 0.0032 0.0037 0.0075 2471 VAL 77 CA 0.0021 0.0030 0.0048 2472 VAL 77 C 0.0031 0.0040 0.0025 2473 VAL 77 O 0.0051 0.0056 0.0023 2474 VAL 77 CB 0.0023 0.0033 0.0043 2475 VAL 77 CG1 0.0012 0.0025 0.0016 2476 VAL 77 CG2 0.0014 0.0024 0.0067 2477 ALA 78 N 0.0017 0.0030 0.0007 2478 ALA 78 CA 0.0025 0.0038 -0.0014 2479 ALA 78 C 0.0010 0.0027 -0.0040 2480 ALA 78 O -0.0007 0.0013 -0.0040 2481 ALA 78 CB 0.0028 0.0039 -0.0002 2482 GLN 79 N 0.0017 0.0035 -0.0063 2483 GLN 79 CA 0.0005 0.0026 -0.0089 2484 GLN 79 C 0.0016 0.0036 -0.0111 2485 GLN 79 O 0.0035 0.0052 -0.0108 2486 GLN 79 CB 0.0000 0.0023 -0.0099 2487 GLN 79 CG 0.0020 0.0040 -0.0108 2488 GLN 79 CD 0.0015 0.0036 -0.0118 2489 GLN 79 OE1 -0.0004 0.0021 -0.0118 2490 GLN 79 NE2 0.0031 0.0050 -0.0126 2491 LYS 80 N 0.0004 0.0028 -0.0134 2492 LYS 80 CA 0.0013 0.0037 -0.0159 2493 LYS 80 C 0.0002 0.0030 -0.0184 2494 LYS 80 O -0.0016 0.0015 -0.0182 2495 LYS 80 CB 0.0009 0.0034 -0.0164 2496 LYS 80 CG 0.0022 0.0046 -0.0188 2497 LYS 80 CD 0.0017 0.0043 -0.0193 2498 LYS 80 CE 0.0030 0.0054 -0.0218 2499 LYS 80 NZ 0.0026 0.0052 -0.0227 2500 THR 81 N 0.0087 0.0058 -0.0187 2501 THR 81 CA 0.0082 0.0044 -0.0236 2502 THR 81 C 0.0106 0.0046 -0.0295 2503 THR 81 O 0.0151 0.0074 -0.0301 2504 THR 81 CB 0.0109 0.0064 -0.0225 2505 THR 81 OG1 0.0087 0.0061 -0.0169 2506 THR 81 CG2 0.0103 0.0049 -0.0275 2507 VAL 82 N 0.0074 0.0017 -0.0338 2508 VAL 82 CA 0.0092 0.0016 -0.0400 2509 VAL 82 C 0.0095 0.0010 -0.0438 2510 VAL 82 O 0.0056 -0.0017 -0.0442 2511 VAL 82 CB 0.0057 -0.0012 -0.0425 2512 VAL 82 CG1 0.0074 -0.0015 -0.0491 2513 VAL 82 CG2 0.0057 -0.0004 -0.0388 2514 GLU 83 N 0.0142 0.0034 -0.0466 2515 GLU 83 CA 0.0154 0.0033 -0.0507 2516 GLU 83 C 0.0139 0.0030 -0.0475 2517 GLU 83 O 0.0105 0.0005 -0.0490 2518 GLU 83 CB 0.0128 0.0004 -0.0565 2519 GLU 83 CG 0.0148 0.0008 -0.0604 2520 GLU 83 CD 0.0123 -0.0020 -0.0663 2521 GLU 83 OE1 0.0087 -0.0045 -0.0671 2522 GLU 83 OE2 0.0139 -0.0018 -0.0700 2523 GLY 84 N 0.0167 0.0057 -0.0430 2524 GLY 84 CA 0.0161 0.0060 -0.0398 2525 GLY 84 C 0.0196 0.0093 -0.0349 2526 GLY 84 O 0.0222 0.0113 -0.0336 2527 ALA 85 N 0.0092 0.0062 -0.0375 2528 ALA 85 CA 0.0116 0.0078 -0.0344 2529 ALA 85 C 0.0102 0.0062 -0.0301 2530 ALA 85 O 0.0073 0.0038 -0.0297 2531 ALA 85 CB 0.0124 0.0086 -0.0359 2532 GLY 86 N 0.0123 0.0075 -0.0268 2533 GLY 86 CA 0.0112 0.0061 -0.0226 2534 GLY 86 C 0.0135 0.0076 -0.0194 2535 GLY 86 O 0.0162 0.0097 -0.0182 2536 SER 87 N 0.0123 0.0064 -0.0178 2537 SER 87 CA 0.0141 0.0076 -0.0146 2538 SER 87 C 0.0125 0.0057 -0.0105 2539 SER 87 O 0.0098 0.0035 -0.0101 2540 SER 87 CB 0.0143 0.0079 -0.0160 2541 SER 87 OG 0.0161 0.0098 -0.0196 2542 ILE 88 N 0.0140 0.0066 -0.0075 2543 ILE 88 CA 0.0123 0.0048 -0.0038 2544 ILE 88 C 0.0121 0.0042 -0.0008 2545 ILE 88 O 0.0093 0.0019 0.0000 2546 ILE 88 CB 0.0140 0.0059 -0.0016 2547 ILE 88 CG1 0.0134 0.0058 -0.0044 2548 ILE 88 CG2 0.0128 0.0044 0.0028 2549 ILE 88 CD1 0.0152 0.0071 -0.0030 2550 ALA 89 N 0.0108 -0.0070 -0.0015 2551 ALA 89 CA 0.0108 -0.0069 0.0003 2552 ALA 89 C 0.0118 -0.0069 0.0005 2553 ALA 89 O 0.0133 -0.0069 0.0009 2554 ALA 89 CB 0.0117 -0.0069 0.0014 2555 ALA 90 N 0.0108 -0.0069 0.0002 2556 ALA 90 CA 0.0115 -0.0069 0.0003 2557 ALA 90 C 0.0109 -0.0069 0.0019 2558 ALA 90 O 0.0095 -0.0069 0.0026 2559 ALA 90 CB 0.0110 -0.0070 -0.0013 2560 ALA 91 N 0.0119 -0.0069 0.0026 2561 ALA 91 CA 0.0115 -0.0069 0.0042 2562 ALA 91 C 0.0124 -0.0069 0.0042 2563 ALA 91 O 0.0140 -0.0069 0.0041 2564 ALA 91 CB 0.0120 -0.0068 0.0058 2565 THR 92 N 0.0113 -0.0069 0.0043 2566 THR 92 CA 0.0120 -0.0069 0.0043 2567 THR 92 C 0.0114 -0.0068 0.0059 2568 THR 92 O 0.0100 -0.0068 0.0066 2569 THR 92 CB 0.0114 -0.0069 0.0027 2570 THR 92 OG1 0.0095 -0.0069 0.0028 2571 THR 92 CG2 0.0118 -0.0069 0.0010 2572 GLY 93 N 0.0174 -0.0158 0.0080 2573 GLY 93 CA 0.0157 -0.0165 0.0116 2574 GLY 93 C 0.0129 -0.0148 0.0140 2575 GLY 93 O 0.0107 -0.0137 0.0161 2576 PHE 94 N 0.0130 -0.0146 0.0136 2577 PHE 94 CA 0.0105 -0.0131 0.0158 2578 PHE 94 C 0.0106 -0.0113 0.0135 2579 PHE 94 O 0.0128 -0.0126 0.0115 2580 PHE 94 CB 0.0105 -0.0160 0.0192 2581 PHE 94 CG 0.0099 -0.0175 0.0221 2582 PHE 94 CD1 0.0071 -0.0161 0.0248 2583 PHE 94 CD2 0.0122 -0.0205 0.0221 2584 PHE 94 CE1 0.0066 -0.0176 0.0274 2585 PHE 94 CE2 0.0116 -0.0219 0.0247 2586 PHE 94 CZ 0.0088 -0.0205 0.0274 2587 VAL 95 N 0.0081 -0.0082 0.0138 2588 VAL 95 CA 0.0077 -0.0063 0.0121 2589 VAL 95 C 0.0050 -0.0051 0.0150 2590 VAL 95 O 0.0026 -0.0032 0.0164 2591 VAL 95 CB 0.0075 -0.0033 0.0086 2592 VAL 95 CG1 0.0068 -0.0012 0.0073 2593 VAL 95 CG2 0.0104 -0.0045 0.0056 2594 LYS 96 N 0.0052 -0.0062 0.0159 2595 LYS 96 CA 0.0028 -0.0052 0.0186 2596 LYS 96 C 0.0024 -0.0034 0.0170 2597 LYS 96 O 0.0041 -0.0029 0.0138 2598 LYS 96 CB 0.0031 -0.0084 0.0219 2599 LYS 96 CG 0.0031 -0.0102 0.0240 2600 LYS 96 CD 0.0002 -0.0082 0.0264 2601 LYS 96 CE 0.0002 -0.0100 0.0285 2602 LYS 96 NZ 0.0008 -0.0133 0.0314 2603 LYS 97 N -0.0206 0.0234 0.0221 2604 LYS 97 CA -0.0181 0.0168 0.0230 2605 LYS 97 C -0.0111 0.0172 0.0175 2606 LYS 97 O -0.0073 0.0198 0.0134 2607 LYS 97 CB -0.0177 0.0090 0.0261 2608 LYS 97 CG -0.0157 0.0017 0.0277 2609 LYS 97 CD -0.0210 0.0014 0.0320 2610 LYS 97 CE -0.0188 -0.0058 0.0335 2611 LYS 97 NZ -0.0182 -0.0130 0.0361 2612 ASP 98 N -0.0096 0.0147 0.0174 2613 ASP 98 CA -0.0031 0.0141 0.0126 2614 ASP 98 C -0.0013 0.0064 0.0146 2615 ASP 98 O -0.0051 0.0019 0.0194 2616 ASP 98 CB -0.0031 0.0212 0.0095 2617 ASP 98 CG 0.0040 0.0223 0.0036 2618 ASP 98 OD1 0.0089 0.0173 0.0019 2619 ASP 98 OD2 0.0045 0.0281 0.0006 2620 GLN 99 N 0.0046 0.0047 0.0108 2621 GLN 99 CA 0.0068 -0.0023 0.0121 2622 GLN 99 C 0.0024 -0.0023 0.0155 2623 GLN 99 O 0.0001 -0.0079 0.0197 2624 GLN 99 CB 0.0141 -0.0031 0.0068 2625 GLN 99 CG 0.0170 -0.0105 0.0078 2626 GLN 99 CD 0.0242 -0.0112 0.0025 2627 GLN 99 OE1 0.0271 -0.0060 -0.0020 2628 GLN 99 NE2 0.0272 -0.0176 0.0029 2629 VAL 37 N -0.0044 -0.0121 -0.0235 2630 VAL 37 CA -0.0088 -0.0109 -0.0212 2631 VAL 37 C -0.0090 -0.0102 -0.0202 2632 VAL 37 O -0.0128 -0.0101 -0.0194 2633 VAL 37 CB -0.0130 -0.0131 -0.0233 2634 VAL 37 CG1 -0.0131 -0.0130 -0.0231 2635 VAL 37 CG2 -0.0124 -0.0162 -0.0274 2636 LEU 38 N -0.0048 -0.0096 -0.0202 2637 LEU 38 CA -0.0045 -0.0089 -0.0193 2638 LEU 38 C -0.0059 -0.0059 -0.0152 2639 LEU 38 O -0.0088 -0.0056 -0.0143 2640 LEU 38 CB 0.0006 -0.0090 -0.0204 2641 LEU 38 CG 0.0022 -0.0119 -0.0244 2642 LEU 38 CD1 -0.0001 -0.0129 -0.0252 2643 LEU 38 CD2 0.0015 -0.0144 -0.0276 2644 TYR 39 N -0.0040 -0.0036 -0.0126 2645 TYR 39 CA -0.0052 -0.0006 -0.0085 2646 TYR 39 C -0.0042 0.0008 -0.0069 2647 TYR 39 O -0.0075 0.0015 -0.0054 2648 TYR 39 CB -0.0103 -0.0004 -0.0073 2649 TYR 39 CG -0.0113 -0.0010 -0.0079 2650 TYR 39 CD1 -0.0100 0.0012 -0.0053 2651 TYR 39 CD2 -0.0135 -0.0037 -0.0111 2652 TYR 39 CE1 -0.0110 0.0007 -0.0058 2653 TYR 39 CE2 -0.0144 -0.0043 -0.0116 2654 TYR 39 CZ -0.0132 -0.0021 -0.0090 2655 TYR 39 OH -0.0141 -0.0026 -0.0095 2656 VAL 40 N 0.0003 0.0011 -0.0072 2657 VAL 40 CA 0.0017 0.0025 -0.0057 2658 VAL 40 C 0.0016 0.0058 -0.0014 2659 VAL 40 O -0.0000 0.0071 0.0006 2660 VAL 40 CB 0.0066 0.0017 -0.0075 2661 VAL 40 CG1 0.0082 0.0032 -0.0059 2662 VAL 40 CG2 0.0065 -0.0016 -0.0118 2663 GLY 41 N 0.0022 0.0063 0.0036 2664 GLY 41 CA 0.0023 0.0062 0.0041 2665 GLY 41 C 0.0021 0.0059 0.0015 2666 GLY 41 O 0.0027 0.0042 0.0013 2667 SER 42 N 0.0013 0.0075 -0.0004 2668 SER 42 CA 0.0012 0.0072 -0.0032 2669 SER 42 C 0.0011 0.0072 -0.0033 2670 SER 42 O 0.0016 0.0057 -0.0048 2671 SER 42 CB 0.0002 0.0091 -0.0051 2672 SER 42 OG 0.0001 0.0088 -0.0077 2673 LYS 43 N 0.0006 0.0090 -0.0017 2674 LYS 43 CA 0.0007 0.0089 -0.0012 2675 LYS 43 C 0.0004 0.0105 0.0014 2676 LYS 43 O -0.0005 0.0128 0.0015 2677 LYS 43 CB 0.0001 0.0100 -0.0035 2678 LYS 43 CG 0.0003 0.0096 -0.0031 2679 LYS 43 CD -0.0003 0.0105 -0.0055 2680 LYS 43 CE -0.0000 0.0099 -0.0052 2681 LYS 43 NZ -0.0003 0.0113 -0.0028 2682 THR 44 N 0.0011 0.0093 0.0035 2683 THR 44 CA 0.0008 0.0106 0.0060 2684 THR 44 C 0.0011 0.0100 0.0063 2685 THR 44 O 0.0018 0.0080 0.0055 2686 THR 44 CB 0.0013 0.0099 0.0084 2687 THR 44 OG1 0.0024 0.0073 0.0089 2688 THR 44 CG2 0.0011 0.0104 0.0080 2689 LYS 45 N 0.0066 0.0095 0.0064 2690 LYS 45 CA 0.0063 0.0076 0.0042 2691 LYS 45 C 0.0065 0.0089 0.0055 2692 LYS 45 O 0.0083 0.0113 0.0047 2693 LYS 45 CB 0.0077 0.0079 0.0003 2694 LYS 45 CG 0.0073 0.0057 -0.0022 2695 LYS 45 CD 0.0086 0.0058 -0.0060 2696 LYS 45 CE 0.0080 0.0034 -0.0085 2697 LYS 45 NZ 0.0093 0.0033 -0.0122 2698 GLU 46 N 0.0048 0.0072 0.0077 2699 GLU 46 CA 0.0049 0.0086 0.0097 2700 GLU 46 C 0.0034 0.0061 0.0100 2701 GLU 46 O 0.0015 0.0037 0.0112 2702 GLU 46 CB 0.0046 0.0102 0.0134 2703 GLU 46 CG 0.0028 0.0082 0.0154 2704 GLU 46 CD 0.0029 0.0102 0.0186 2705 GLU 46 OE1 0.0044 0.0131 0.0191 2706 GLU 46 OE2 0.0014 0.0089 0.0206 2707 GLY 47 N 0.0042 0.0068 0.0088 2708 GLY 47 CA 0.0029 0.0045 0.0086 2709 GLY 47 C 0.0026 0.0021 0.0052 2710 GLY 47 O 0.0009 -0.0007 0.0053 2711 VAL 48 N 0.0042 0.0032 0.0023 2712 VAL 48 CA 0.0041 0.0010 -0.0010 2713 VAL 48 C 0.0054 0.0016 -0.0038 2714 VAL 48 O 0.0071 0.0044 -0.0041 2715 VAL 48 CB 0.0049 0.0016 -0.0022 2716 VAL 48 CG1 0.0048 -0.0005 -0.0057 2717 VAL 48 CG2 0.0036 0.0010 0.0005 2718 VAL 49 N 0.0017 -0.0055 -0.0084 2719 VAL 49 CA 0.0018 -0.0054 -0.0087 2720 VAL 49 C 0.0021 -0.0060 -0.0096 2721 VAL 49 O 0.0023 -0.0069 -0.0096 2722 VAL 49 CB 0.0016 -0.0058 -0.0079 2723 VAL 49 CG1 0.0017 -0.0059 -0.0082 2724 VAL 49 CG2 0.0012 -0.0051 -0.0070 2725 HIS 50 N 0.0023 -0.0055 -0.0104 2726 HIS 50 CA 0.0027 -0.0061 -0.0112 2727 HIS 50 C 0.0028 -0.0058 -0.0118 2728 HIS 50 O 0.0027 -0.0049 -0.0120 2729 HIS 50 CB 0.0029 -0.0062 -0.0119 2730 HIS 50 CG 0.0029 -0.0052 -0.0124 2731 HIS 50 ND1 0.0031 -0.0049 -0.0133 2732 HIS 50 CD2 0.0027 -0.0045 -0.0122 2733 HIS 50 CE1 0.0030 -0.0040 -0.0136 2734 HIS 50 NE2 0.0028 -0.0037 -0.0129 2735 GLY 51 N 0.0030 -0.0065 -0.0121 2736 GLY 51 CA 0.0032 -0.0063 -0.0127 2737 GLY 51 C 0.0029 -0.0060 -0.0121 2738 GLY 51 O 0.0028 -0.0052 -0.0122 2739 VAL 52 N 0.0028 -0.0067 -0.0115 2740 VAL 52 CA 0.0026 -0.0066 -0.0108 2741 VAL 52 C 0.0028 -0.0073 -0.0110 2742 VAL 52 O 0.0030 -0.0082 -0.0110 2743 VAL 52 CB 0.0023 -0.0066 -0.0097 2744 VAL 52 CG1 0.0021 -0.0066 -0.0090 2745 VAL 52 CG2 0.0021 -0.0058 -0.0095 2746 ALA 53 N -0.0040 -0.0090 -0.0090 2747 ALA 53 CA -0.0037 -0.0075 -0.0069 2748 ALA 53 C -0.0037 -0.0072 -0.0063 2749 ALA 53 O -0.0051 -0.0083 -0.0068 2750 ALA 53 CB -0.0053 -0.0075 -0.0052 2751 THR 54 N -0.0023 -0.0058 -0.0054 2752 THR 54 CA -0.0021 -0.0054 -0.0049 2753 THR 54 C -0.0015 -0.0037 -0.0029 2754 THR 54 O 0.0001 -0.0026 -0.0026 2755 THR 54 CB -0.0004 -0.0055 -0.0068 2756 THR 54 OG1 -0.0011 -0.0071 -0.0087 2757 THR 54 CG2 -0.0002 -0.0050 -0.0064 2758 VAL 55 N -0.0027 -0.0035 -0.0014 2759 VAL 55 CA -0.0022 -0.0020 0.0006 2760 VAL 55 C -0.0020 -0.0018 0.0007 2761 VAL 55 O -0.0035 -0.0029 0.0004 2762 VAL 55 CB -0.0039 -0.0018 0.0025 2763 VAL 55 CG1 -0.0035 -0.0003 0.0046 2764 VAL 55 CG2 -0.0040 -0.0019 0.0024 2765 ALA 56 N -0.0003 -0.0005 0.0011 2766 ALA 56 CA 0.0001 -0.0001 0.0013 2767 ALA 56 C 0.0007 0.0015 0.0033 2768 ALA 56 O 0.0025 0.0027 0.0035 2769 ALA 56 CB 0.0018 -0.0003 -0.0006 2770 GLU 57 N -0.0101 0.0068 0.0033 2771 GLU 57 CA -0.0085 0.0054 0.0085 2772 GLU 57 C -0.0119 0.0042 0.0106 2773 GLU 57 O -0.0166 0.0034 0.0112 2774 GLU 57 CB -0.0090 0.0043 0.0116 2775 GLU 57 CG -0.0052 0.0053 0.0102 2776 GLU 57 CD -0.0057 0.0042 0.0134 2777 GLU 57 OE1 -0.0094 0.0028 0.0163 2778 GLU 57 OE2 -0.0025 0.0048 0.0129 2779 LYS 58 N -0.0097 0.0042 0.0116 2780 LYS 58 CA -0.0126 0.0034 0.0129 2781 LYS 58 C -0.0102 0.0022 0.0177 2782 LYS 58 O -0.0060 0.0028 0.0177 2783 LYS 58 CB -0.0127 0.0047 0.0087 2784 LYS 58 CG -0.0158 0.0057 0.0041 2785 LYS 58 CD -0.0161 0.0070 0.0001 2786 LYS 58 CE -0.0192 0.0080 -0.0045 2787 LYS 58 NZ -0.0195 0.0092 -0.0084 2788 THR 59 N -0.0129 0.0005 0.0218 2789 THR 59 CA -0.0107 -0.0007 0.0267 2790 THR 59 C -0.0106 -0.0008 0.0269 2791 THR 59 O -0.0070 -0.0010 0.0292 2792 THR 59 CB -0.0138 -0.0025 0.0309 2793 THR 59 OG1 -0.0139 -0.0023 0.0304 2794 THR 59 CG2 -0.0113 -0.0037 0.0360 2795 LYS 60 N -0.0143 -0.0005 0.0244 2796 LYS 60 CA -0.0141 -0.0004 0.0243 2797 LYS 60 C -0.0170 0.0007 0.0195 2798 LYS 60 O -0.0216 0.0002 0.0187 2799 LYS 60 CB -0.0166 -0.0022 0.0289 2800 LYS 60 CG -0.0159 -0.0023 0.0293 2801 LYS 60 CD -0.0179 -0.0041 0.0342 2802 LYS 60 CE -0.0172 -0.0041 0.0346 2803 LYS 60 NZ -0.0192 -0.0059 0.0393 2804 GLU 61 N -0.0146 0.0089 0.0125 2805 GLU 61 CA -0.0158 0.0090 0.0085 2806 GLU 61 C -0.0133 0.0089 0.0094 2807 GLU 61 O -0.0088 0.0087 0.0093 2808 GLU 61 CB -0.0143 0.0089 0.0035 2809 GLU 61 CG -0.0155 0.0090 -0.0007 2810 GLU 61 CD -0.0141 0.0090 -0.0056 2811 GLU 61 OE1 -0.0121 0.0089 -0.0057 2812 GLU 61 OE2 -0.0149 0.0090 -0.0094 2813 GLN 62 N -0.0162 0.0090 0.0101 2814 GLN 62 CA -0.0143 0.0089 0.0114 2815 GLN 62 C -0.0163 0.0090 0.0078 2816 GLN 62 O -0.0207 0.0091 0.0075 2817 GLN 62 CB -0.0156 0.0089 0.0167 2818 GLN 62 CG -0.0136 0.0089 0.0185 2819 GLN 62 CD -0.0148 0.0089 0.0238 2820 GLN 62 OE1 -0.0173 0.0089 0.0262 2821 GLN 62 NE2 -0.0130 0.0088 0.0256 2822 VAL 63 N -0.0130 0.0089 0.0051 2823 VAL 63 CA -0.0144 0.0089 0.0016 2824 VAL 63 C -0.0114 0.0088 0.0029 2825 VAL 63 O -0.0071 0.0087 0.0016 2826 VAL 63 CB -0.0134 0.0089 -0.0037 2827 VAL 63 CG1 -0.0148 0.0090 -0.0072 2828 VAL 63 CG2 -0.0162 0.0090 -0.0050 2829 THR 64 N -0.0138 0.0089 0.0055 2830 THR 64 CA -0.0113 0.0088 0.0071 2831 THR 64 C -0.0142 0.0089 0.0053 2832 THR 64 O -0.0181 0.0090 0.0073 2833 THR 64 CB -0.0108 0.0088 0.0127 2834 THR 64 OG1 -0.0156 0.0089 0.0148 2835 THR 64 CG2 -0.0087 0.0087 0.0148 2836 ASN 65 N -0.0064 0.0096 0.0040 2837 ASN 65 CA -0.0061 0.0090 0.0033 2838 ASN 65 C -0.0034 0.0092 0.0037 2839 ASN 65 O -0.0017 0.0095 0.0041 2840 ASN 65 CB -0.0070 0.0072 0.0012 2841 ASN 65 CG -0.0052 0.0059 -0.0003 2842 ASN 65 OD1 -0.0030 0.0060 -0.0000 2843 ASN 65 ND2 -0.0063 0.0045 -0.0019 2844 VAL 66 N -0.0031 0.0092 0.0037 2845 VAL 66 CA -0.0006 0.0091 0.0036 2846 VAL 66 C -0.0005 0.0076 0.0019 2847 VAL 66 O -0.0023 0.0072 0.0014 2848 VAL 66 CB 0.0003 0.0106 0.0054 2849 VAL 66 CG1 -0.0004 0.0122 0.0072 2850 VAL 66 CG2 -0.0006 0.0107 0.0056 2851 GLY 67 N 0.0016 0.0067 0.0009 2852 GLY 67 CA 0.0020 0.0053 -0.0008 2853 GLY 67 C 0.0003 0.0039 -0.0025 2854 GLY 67 O 0.0007 0.0026 -0.0039 2855 GLY 68 N -0.0015 0.0040 -0.0024 2856 GLY 68 CA -0.0033 0.0028 -0.0039 2857 GLY 68 C -0.0037 0.0022 -0.0045 2858 GLY 68 O -0.0024 0.0028 -0.0039 2859 ALA 69 N -0.0024 0.0031 -0.0033 2860 ALA 69 CA -0.0020 0.0024 -0.0047 2861 ALA 69 C -0.0033 0.0030 -0.0056 2862 ALA 69 O -0.0043 0.0034 -0.0063 2863 ALA 69 CB -0.0015 0.0018 -0.0058 2864 VAL 70 N -0.0031 0.0028 -0.0056 2865 VAL 70 CA -0.0042 0.0034 -0.0063 2866 VAL 70 C -0.0039 0.0027 -0.0078 2867 VAL 70 O -0.0027 0.0019 -0.0078 2868 VAL 70 CB -0.0045 0.0039 -0.0051 2869 VAL 70 CG1 -0.0056 0.0044 -0.0058 2870 VAL 70 CG2 -0.0051 0.0047 -0.0037 2871 VAL 71 N -0.0048 0.0029 -0.0092 2872 VAL 71 CA -0.0047 0.0024 -0.0107 2873 VAL 71 C -0.0058 0.0030 -0.0109 2874 VAL 71 O -0.0070 0.0038 -0.0109 2875 VAL 71 CB -0.0050 0.0021 -0.0121 2876 VAL 71 CG1 -0.0050 0.0017 -0.0137 2877 VAL 71 CG2 -0.0039 0.0015 -0.0120 2878 THR 72 N -0.0052 0.0026 -0.0110 2879 THR 72 CA -0.0061 0.0032 -0.0112 2880 THR 72 C -0.0060 0.0026 -0.0128 2881 THR 72 O -0.0049 0.0018 -0.0130 2882 THR 72 CB -0.0058 0.0033 -0.0098 2883 THR 72 OG1 -0.0043 0.0024 -0.0097 2884 THR 72 CG2 -0.0059 0.0039 -0.0082 2885 GLY 73 N 0.0016 -0.0016 -0.0137 2886 GLY 73 CA 0.0014 -0.0017 -0.0143 2887 GLY 73 C 0.0011 -0.0023 -0.0141 2888 GLY 73 O 0.0006 -0.0028 -0.0145 2889 VAL 74 N 0.0012 -0.0022 -0.0135 2890 VAL 74 CA 0.0009 -0.0027 -0.0133 2891 VAL 74 C 0.0010 -0.0024 -0.0138 2892 VAL 74 O 0.0014 -0.0018 -0.0140 2893 VAL 74 CB 0.0009 -0.0028 -0.0123 2894 VAL 74 CG1 0.0009 -0.0030 -0.0118 2895 VAL 74 CG2 0.0014 -0.0023 -0.0120 2896 THR 75 N 0.0006 -0.0029 -0.0140 2897 THR 75 CA 0.0007 -0.0027 -0.0146 2898 THR 75 C 0.0004 -0.0032 -0.0143 2899 THR 75 O -0.0000 -0.0038 -0.0141 2900 THR 75 CB 0.0005 -0.0028 -0.0155 2901 THR 75 OG1 0.0008 -0.0024 -0.0158 2902 THR 75 CG2 0.0006 -0.0025 -0.0161 2903 ALA 76 N 0.0006 -0.0028 -0.0143 2904 ALA 76 CA 0.0004 -0.0032 -0.0141 2905 ALA 76 C 0.0002 -0.0036 -0.0133 2906 ALA 76 O -0.0003 -0.0042 -0.0132 2907 ALA 76 CB -0.0000 -0.0036 -0.0149 2908 VAL 77 N 0.0064 -0.0043 -0.0113 2909 VAL 77 CA 0.0047 -0.0045 -0.0087 2910 VAL 77 C 0.0059 -0.0032 -0.0059 2911 VAL 77 O 0.0084 -0.0018 -0.0056 2912 VAL 77 CB 0.0044 -0.0047 -0.0089 2913 VAL 77 CG1 0.0026 -0.0049 -0.0063 2914 VAL 77 CG2 0.0033 -0.0060 -0.0118 2915 ALA 78 N 0.0042 -0.0035 -0.0037 2916 ALA 78 CA 0.0052 -0.0022 -0.0011 2917 ALA 78 C 0.0031 -0.0026 0.0016 2918 ALA 78 O 0.0011 -0.0035 0.0019 2919 ALA 78 CB 0.0061 -0.0019 -0.0016 2920 GLN 79 N 0.0035 -0.0018 0.0037 2921 GLN 79 CA 0.0016 -0.0021 0.0064 2922 GLN 79 C 0.0030 -0.0007 0.0091 2923 GLN 79 O 0.0055 0.0005 0.0090 2924 GLN 79 CB 0.0005 -0.0026 0.0068 2925 GLN 79 CG 0.0026 -0.0013 0.0073 2926 GLN 79 CD 0.0014 -0.0019 0.0077 2927 GLN 79 OE1 -0.0011 -0.0031 0.0075 2928 GLN 79 NE2 0.0031 -0.0009 0.0082 2929 LYS 80 N 0.0013 -0.0009 0.0116 2930 LYS 80 CA 0.0023 0.0004 0.0145 2931 LYS 80 C 0.0005 0.0000 0.0166 2932 LYS 80 O -0.0020 -0.0013 0.0163 2933 LYS 80 CB 0.0022 0.0006 0.0157 2934 LYS 80 CG 0.0037 0.0021 0.0185 2935 LYS 80 CD 0.0036 0.0024 0.0198 2936 LYS 80 CE 0.0050 0.0038 0.0226 2937 LYS 80 NZ 0.0049 0.0042 0.0242 2938 THR 81 N 0.0095 0.0026 0.0170 2939 THR 81 CA 0.0064 0.0024 0.0210 2940 THR 81 C 0.0082 0.0050 0.0267 2941 THR 81 O 0.0129 0.0073 0.0273 2942 THR 81 CB 0.0070 0.0021 0.0191 2943 THR 81 OG1 0.0053 -0.0004 0.0137 2944 THR 81 CG2 0.0037 0.0018 0.0232 2945 VAL 82 N 0.0046 0.0045 0.0308 2946 VAL 82 CA 0.0055 0.0068 0.0366 2947 VAL 82 C 0.0028 0.0064 0.0393 2948 VAL 82 O -0.0020 0.0041 0.0394 2949 VAL 82 CB 0.0034 0.0067 0.0396 2950 VAL 82 CG1 0.0039 0.0089 0.0457 2951 VAL 82 CG2 0.0063 0.0073 0.0370 2952 GLU 83 N 0.0059 0.0085 0.0416 2953 GLU 83 CA 0.0042 0.0087 0.0446 2954 GLU 83 C 0.0015 0.0062 0.0409 2955 GLU 83 O -0.0032 0.0044 0.0420 2956 GLU 83 CB 0.0007 0.0087 0.0500 2957 GLU 83 CG 0.0036 0.0114 0.0542 2958 GLU 83 CD 0.0002 0.0115 0.0597 2959 GLU 83 OE1 -0.0046 0.0094 0.0601 2960 GLU 83 OE2 0.0022 0.0136 0.0636 2961 GLY 84 N 0.0045 0.0063 0.0365 2962 GLY 84 CA 0.0026 0.0043 0.0329 2963 GLY 84 C 0.0069 0.0048 0.0282 2964 GLY 84 O 0.0111 0.0066 0.0276 2965 ALA 85 N 0.0020 -0.0003 0.0272 2966 ALA 85 CA 0.0044 0.0004 0.0243 2967 ALA 85 C 0.0030 -0.0005 0.0207 2968 ALA 85 O 0.0001 -0.0018 0.0201 2969 ALA 85 CB 0.0053 0.0008 0.0245 2970 GLY 86 N 0.0050 0.0002 0.0184 2971 GLY 86 CA 0.0038 -0.0006 0.0149 2972 GLY 86 C 0.0061 0.0000 0.0118 2973 GLY 86 O 0.0088 0.0011 0.0112 2974 SER 87 N 0.0049 -0.0006 0.0096 2975 SER 87 CA 0.0068 -0.0001 0.0065 2976 SER 87 C 0.0050 -0.0012 0.0032 2977 SER 87 O 0.0024 -0.0024 0.0023 2978 SER 87 CB 0.0070 -0.0000 0.0065 2979 SER 87 OG 0.0089 0.0010 0.0093 2980 ILE 88 N 0.0065 -0.0007 0.0013 2981 ILE 88 CA 0.0047 -0.0017 -0.0014 2982 ILE 88 C 0.0045 -0.0021 -0.0048 2983 ILE 88 O 0.0018 -0.0034 -0.0058 2984 ILE 88 CB 0.0063 -0.0011 -0.0023 2985 ILE 88 CG1 0.0057 -0.0011 0.0010 2986 ILE 88 CG2 0.0050 -0.0020 -0.0056 2987 ILE 88 CD1 0.0074 -0.0004 0.0008 2988 ALA 89 N 0.0025 -0.0022 -0.0050 2989 ALA 89 CA 0.0025 -0.0022 -0.0056 2990 ALA 89 C 0.0029 -0.0020 -0.0052 2991 ALA 89 O 0.0035 -0.0016 -0.0054 2992 ALA 89 CB 0.0029 -0.0020 -0.0064 2993 ALA 90 N 0.0025 -0.0023 -0.0048 2994 ALA 90 CA 0.0027 -0.0021 -0.0044 2995 ALA 90 C 0.0025 -0.0023 -0.0048 2996 ALA 90 O 0.0019 -0.0026 -0.0052 2997 ALA 90 CB 0.0025 -0.0022 -0.0034 2998 ALA 91 N 0.0029 -0.0020 -0.0048 2999 ALA 91 CA 0.0027 -0.0021 -0.0052 3000 ALA 91 C 0.0030 -0.0019 -0.0047 3001 ALA 91 O 0.0037 -0.0015 -0.0047 3002 ALA 91 CB 0.0029 -0.0020 -0.0061 3003 THR 92 N 0.0026 -0.0022 -0.0044 3004 THR 92 CA 0.0028 -0.0020 -0.0040 3005 THR 92 C 0.0026 -0.0022 -0.0044 3006 THR 92 O 0.0020 -0.0026 -0.0048 3007 THR 92 CB 0.0025 -0.0022 -0.0031 3008 THR 92 OG1 0.0018 -0.0027 -0.0031 3009 THR 92 CG2 0.0027 -0.0021 -0.0026 3010 GLY 93 N 0.0070 -0.0045 -0.0025 3011 GLY 93 CA 0.0067 -0.0039 -0.0044 3012 GLY 93 C 0.0063 -0.0033 -0.0057 3013 GLY 93 O 0.0054 -0.0021 -0.0069 3014 PHE 94 N 0.0068 -0.0040 -0.0055 3015 PHE 94 CA 0.0066 -0.0036 -0.0067 3016 PHE 94 C 0.0067 -0.0038 -0.0054 3017 PHE 94 O 0.0075 -0.0050 -0.0043 3018 PHE 94 CB 0.0075 -0.0046 -0.0085 3019 PHE 94 CG 0.0073 -0.0042 -0.0101 3020 PHE 94 CD1 0.0065 -0.0031 -0.0116 3021 PHE 94 CD2 0.0080 -0.0051 -0.0101 3022 PHE 94 CE1 0.0064 -0.0028 -0.0130 3023 PHE 94 CE2 0.0078 -0.0047 -0.0115 3024 PHE 94 CZ 0.0070 -0.0036 -0.0130 3025 VAL 95 N 0.0058 -0.0027 -0.0055 3026 VAL 95 CA 0.0059 -0.0029 -0.0046 3027 VAL 95 C 0.0055 -0.0023 -0.0061 3028 VAL 95 O 0.0045 -0.0010 -0.0069 3029 VAL 95 CB 0.0050 -0.0019 -0.0027 3030 VAL 95 CG1 0.0050 -0.0019 -0.0020 3031 VAL 95 CG2 0.0054 -0.0025 -0.0011 3032 LYS 96 N 0.0064 -0.0034 -0.0066 3033 LYS 96 CA 0.0062 -0.0030 -0.0081 3034 LYS 96 C 0.0063 -0.0032 -0.0072 3035 LYS 96 O 0.0066 -0.0037 -0.0054 3036 LYS 96 CB 0.0072 -0.0041 -0.0099 3037 LYS 96 CG 0.0070 -0.0038 -0.0111 3038 LYS 96 CD 0.0059 -0.0023 -0.0123 3039 LYS 96 CE 0.0058 -0.0020 -0.0135 3040 LYS 96 NZ 0.0068 -0.0032 -0.0151 3041 LYS 97 N -0.0008 0.0082 -0.0122 3042 LYS 97 CA -0.0005 0.0070 -0.0112 3043 LYS 97 C 0.0007 0.0071 -0.0099 3044 LYS 97 O 0.0010 0.0075 -0.0099 3045 LYS 97 CB -0.0014 0.0054 -0.0112 3046 LYS 97 CG -0.0012 0.0042 -0.0102 3047 LYS 97 CD -0.0013 0.0044 -0.0104 3048 LYS 97 CE -0.0010 0.0031 -0.0094 3049 LYS 97 NZ -0.0019 0.0016 -0.0095 3050 ASP 98 N 0.0015 0.0069 -0.0090 3051 ASP 98 CA 0.0026 0.0068 -0.0077 3052 ASP 98 C 0.0027 0.0054 -0.0068 3053 ASP 98 O 0.0019 0.0046 -0.0071 3054 ASP 98 CB 0.0037 0.0083 -0.0075 3055 ASP 98 CG 0.0048 0.0085 -0.0064 3056 ASP 98 OD1 0.0048 0.0074 -0.0058 3057 ASP 98 OD2 0.0057 0.0097 -0.0062 3058 GLN 99 N 0.0038 0.0052 -0.0055 3059 GLN 99 CA 0.0040 0.0040 -0.0045 3060 GLN 99 C 0.0042 0.0042 -0.0045 3061 GLN 99 O 0.0036 0.0032 -0.0045 3062 GLN 99 CB 0.0051 0.0038 -0.0032 3063 GLN 99 CG 0.0054 0.0025 -0.0022 3064 GLN 99 CD 0.0065 0.0024 -0.0009 3065 GLN 99 OE1 0.0071 0.0033 -0.0008 3066 GLN 99 NE2 0.0068 0.0013 0.0001 3067 VAL 37 N 0.0080 -0.0020 -0.0176 3068 VAL 37 CA 0.0055 -0.0019 -0.0159 3069 VAL 37 C 0.0041 -0.0020 -0.0152 3070 VAL 37 O 0.0016 -0.0022 -0.0146 3071 VAL 37 CB 0.0035 -0.0026 -0.0175 3072 VAL 37 CG1 0.0048 -0.0024 -0.0173 3073 VAL 37 CG2 0.0034 -0.0034 -0.0205 3074 LEU 38 N 0.0059 -0.0017 -0.0152 3075 LEU 38 CA 0.0049 -0.0017 -0.0145 3076 LEU 38 C 0.0040 -0.0011 -0.0115 3077 LEU 38 O 0.0016 -0.0012 -0.0108 3078 LEU 38 CB 0.0072 -0.0015 -0.0153 3079 LEU 38 CG 0.0075 -0.0022 -0.0182 3080 LEU 38 CD1 0.0051 -0.0027 -0.0189 3081 LEU 38 CD2 0.0079 -0.0027 -0.0206 3082 TYR 39 N 0.0058 -0.0003 -0.0096 3083 TYR 39 CA 0.0052 0.0003 -0.0065 3084 TYR 39 C 0.0046 0.0005 -0.0053 3085 TYR 39 O 0.0022 0.0005 -0.0042 3086 TYR 39 CB 0.0028 0.0002 -0.0057 3087 TYR 39 CG 0.0035 0.0002 -0.0061 3088 TYR 39 CD1 0.0051 0.0009 -0.0042 3089 TYR 39 CD2 0.0026 -0.0005 -0.0085 3090 TYR 39 CE1 0.0057 0.0009 -0.0046 3091 TYR 39 CE2 0.0032 -0.0005 -0.0089 3092 TYR 39 CZ 0.0048 0.0002 -0.0069 3093 TYR 39 OH 0.0054 0.0002 -0.0073 3094 VAL 40 N 0.0067 0.0008 -0.0056 3095 VAL 40 CA 0.0064 0.0010 -0.0045 3096 VAL 40 C 0.0066 0.0018 -0.0013 3097 VAL 40 O 0.0049 0.0020 0.0002 3098 VAL 40 CB 0.0087 0.0010 -0.0058 3099 VAL 40 CG1 0.0085 0.0013 -0.0046 3100 VAL 40 CG2 0.0084 0.0002 -0.0090 3101 GLY 41 N 0.0039 0.0005 0.0025 3102 GLY 41 CA 0.0042 -0.0003 0.0032 3103 GLY 41 C 0.0048 -0.0006 0.0016 3104 GLY 41 O 0.0056 -0.0021 0.0016 3105 SER 42 N 0.0043 0.0007 0.0001 3106 SER 42 CA 0.0049 0.0005 -0.0018 3107 SER 42 C 0.0052 -0.0001 -0.0015 3108 SER 42 O 0.0061 -0.0012 -0.0025 3109 SER 42 CB 0.0043 0.0022 -0.0033 3110 SER 42 OG 0.0048 0.0020 -0.0052 3111 LYS 43 N 0.0044 0.0007 -0.0002 3112 LYS 43 CA 0.0046 -0.0000 0.0006 3113 LYS 43 C 0.0037 0.0007 0.0026 3114 LYS 43 O 0.0027 0.0024 0.0027 3115 LYS 43 CB 0.0047 0.0005 -0.0009 3116 LYS 43 CG 0.0051 -0.0004 -0.0002 3117 LYS 43 CD 0.0052 0.0001 -0.0017 3118 LYS 43 CE 0.0057 -0.0010 -0.0011 3119 LYS 43 NZ 0.0049 -0.0005 0.0008 3120 THR 44 N 0.0040 -0.0005 0.0043 3121 THR 44 CA 0.0032 0.0000 0.0062 3122 THR 44 C 0.0037 -0.0010 0.0069 3123 THR 44 O 0.0047 -0.0025 0.0063 3124 THR 44 CB 0.0030 -0.0003 0.0078 3125 THR 44 OG1 0.0041 -0.0022 0.0082 3126 THR 44 CG2 0.0026 0.0007 0.0071 3127 LYS 45 N 0.0030 -0.0008 0.0077 3128 LYS 45 CA 0.0026 -0.0021 0.0056 3129 LYS 45 C 0.0031 -0.0013 0.0062 3130 LYS 45 O 0.0048 0.0004 0.0055 3131 LYS 45 CB 0.0038 -0.0019 0.0027 3132 LYS 45 CG 0.0032 -0.0034 0.0004 3133 LYS 45 CD 0.0042 -0.0034 -0.0023 3134 LYS 45 CE 0.0036 -0.0050 -0.0046 3135 LYS 45 NZ 0.0045 -0.0051 -0.0074 3136 GLU 46 N 0.0017 -0.0024 0.0076 3137 GLU 46 CA 0.0021 -0.0015 0.0089 3138 GLU 46 C 0.0007 -0.0032 0.0086 3139 GLU 46 O -0.0010 -0.0049 0.0095 3140 GLU 46 CB 0.0020 -0.0004 0.0119 3141 GLU 46 CG 0.0002 -0.0017 0.0136 3142 GLU 46 CD 0.0005 -0.0003 0.0164 3143 GLU 46 OE1 0.0020 0.0017 0.0168 3144 GLU 46 OE2 -0.0009 -0.0013 0.0181 3145 GLY 47 N 0.0015 -0.0027 0.0073 3146 GLY 47 CA 0.0004 -0.0043 0.0067 3147 GLY 47 C -0.0001 -0.0060 0.0040 3148 GLY 47 O -0.0017 -0.0079 0.0039 3149 VAL 48 N 0.0013 -0.0052 0.0019 3150 VAL 48 CA 0.0009 -0.0067 -0.0006 3151 VAL 48 C 0.0021 -0.0063 -0.0030 3152 VAL 48 O 0.0037 -0.0043 -0.0033 3153 VAL 48 CB 0.0014 -0.0063 -0.0010 3154 VAL 48 CG1 0.0010 -0.0078 -0.0037 3155 VAL 48 CG2 0.0002 -0.0067 0.0014 3156 VAL 49 N 0.0014 -0.0062 -0.0069 3157 VAL 49 CA 0.0017 -0.0064 -0.0073 3158 VAL 49 C 0.0020 -0.0068 -0.0079 3159 VAL 49 O 0.0019 -0.0074 -0.0079 3160 VAL 49 CB 0.0014 -0.0068 -0.0070 3161 VAL 49 CG1 0.0016 -0.0070 -0.0074 3162 VAL 49 CG2 0.0011 -0.0063 -0.0064 3163 HIS 50 N 0.0023 -0.0065 -0.0085 3164 HIS 50 CA 0.0026 -0.0069 -0.0091 3165 HIS 50 C 0.0030 -0.0068 -0.0096 3166 HIS 50 O 0.0031 -0.0062 -0.0097 3167 HIS 50 CB 0.0028 -0.0068 -0.0093 3168 HIS 50 CG 0.0030 -0.0060 -0.0094 3169 HIS 50 ND1 0.0034 -0.0058 -0.0101 3170 HIS 50 CD2 0.0029 -0.0054 -0.0091 3171 HIS 50 CE1 0.0036 -0.0051 -0.0101 3172 HIS 50 NE2 0.0033 -0.0049 -0.0095 3173 GLY 51 N 0.0031 -0.0074 -0.0099 3174 GLY 51 CA 0.0034 -0.0074 -0.0105 3175 GLY 51 C 0.0033 -0.0074 -0.0103 3176 GLY 51 O 0.0034 -0.0069 -0.0103 3177 VAL 52 N 0.0030 -0.0080 -0.0100 3178 VAL 52 CA 0.0029 -0.0080 -0.0098 3179 VAL 52 C 0.0030 -0.0087 -0.0101 3180 VAL 52 O 0.0029 -0.0093 -0.0101 3181 VAL 52 CB 0.0024 -0.0081 -0.0090 3182 VAL 52 CG1 0.0023 -0.0082 -0.0088 3183 VAL 52 CG2 0.0023 -0.0074 -0.0087 3184 ALA 53 N 0.0022 -0.0104 -0.0086 3185 ALA 53 CA 0.0024 -0.0089 -0.0069 3186 ALA 53 C 0.0025 -0.0085 -0.0064 3187 ALA 53 O 0.0014 -0.0095 -0.0068 3188 ALA 53 CB 0.0007 -0.0089 -0.0055 3189 THR 54 N 0.0037 -0.0071 -0.0056 3190 THR 54 CA 0.0041 -0.0066 -0.0053 3191 THR 54 C 0.0045 -0.0050 -0.0036 3192 THR 54 O 0.0058 -0.0040 -0.0034 3193 THR 54 CB 0.0057 -0.0068 -0.0068 3194 THR 54 OG1 0.0052 -0.0084 -0.0084 3195 THR 54 CG2 0.0061 -0.0063 -0.0065 3196 VAL 55 N 0.0035 -0.0047 -0.0024 3197 VAL 55 CA 0.0039 -0.0032 -0.0007 3198 VAL 55 C 0.0042 -0.0029 -0.0006 3199 VAL 55 O 0.0031 -0.0038 -0.0009 3200 VAL 55 CB 0.0022 -0.0030 0.0009 3201 VAL 55 CG1 0.0025 -0.0014 0.0026 3202 VAL 55 CG2 0.0020 -0.0032 0.0008 3203 ALA 56 N 0.0058 -0.0016 -0.0003 3204 ALA 56 CA 0.0062 -0.0012 -0.0001 3205 ALA 56 C 0.0067 0.0004 0.0015 3206 ALA 56 O 0.0082 0.0014 0.0017 3207 ALA 56 CB 0.0079 -0.0014 -0.0017 3208 GLU 57 N 0.0029 0.0043 0.0016 3209 GLU 57 CA 0.0041 0.0039 0.0056 3210 GLU 57 C 0.0021 0.0034 0.0071 3211 GLU 57 O -0.0014 0.0027 0.0076 3212 GLU 57 CB 0.0032 0.0034 0.0079 3213 GLU 57 CG 0.0055 0.0039 0.0069 3214 GLU 57 CD 0.0045 0.0034 0.0094 3215 GLU 57 OE1 0.0017 0.0026 0.0115 3216 GLU 57 OE2 0.0064 0.0038 0.0091 3217 LYS 58 N 0.0042 0.0036 0.0079 3218 LYS 58 CA 0.0026 0.0032 0.0089 3219 LYS 58 C 0.0046 0.0030 0.0125 3220 LYS 58 O 0.0078 0.0035 0.0124 3221 LYS 58 CB 0.0030 0.0037 0.0056 3222 LYS 58 CG 0.0006 0.0039 0.0021 3223 LYS 58 CD 0.0010 0.0044 -0.0010 3224 LYS 58 CE -0.0014 0.0045 -0.0044 3225 LYS 58 NZ -0.0011 0.0050 -0.0075 3226 THR 59 N 0.0025 0.0021 0.0156 3227 THR 59 CA 0.0042 0.0019 0.0193 3228 THR 59 C 0.0050 0.0020 0.0195 3229 THR 59 O 0.0078 0.0022 0.0212 3230 THR 59 CB 0.0017 0.0010 0.0225 3231 THR 59 OG1 0.0009 0.0009 0.0222 3232 THR 59 CG2 0.0035 0.0007 0.0264 3233 LYS 60 N 0.0026 0.0019 0.0175 3234 LYS 60 CA 0.0034 0.0020 0.0174 3235 LYS 60 C 0.0016 0.0023 0.0137 3236 LYS 60 O -0.0018 0.0018 0.0132 3237 LYS 60 CB 0.0018 0.0013 0.0209 3238 LYS 60 CG 0.0030 0.0014 0.0212 3239 LYS 60 CD 0.0017 0.0006 0.0249 3240 LYS 60 CE 0.0028 0.0008 0.0251 3241 LYS 60 NZ 0.0016 0.0000 0.0287 3242 GLU 61 N 0.0023 0.0069 0.0090 3243 GLU 61 CA 0.0013 0.0072 0.0062 3244 GLU 61 C 0.0027 0.0071 0.0069 3245 GLU 61 O 0.0058 0.0070 0.0069 3246 GLU 61 CB 0.0025 0.0076 0.0027 3247 GLU 61 CG 0.0014 0.0079 -0.0003 3248 GLU 61 CD 0.0026 0.0083 -0.0037 3249 GLU 61 OE1 0.0043 0.0082 -0.0038 3250 GLU 61 OE2 0.0018 0.0086 -0.0064 3251 GLN 62 N 0.0004 0.0071 0.0075 3252 GLN 62 CA 0.0013 0.0070 0.0084 3253 GLN 62 C -0.0003 0.0073 0.0059 3254 GLN 62 O -0.0035 0.0075 0.0057 3255 GLN 62 CB 0.0003 0.0066 0.0121 3256 GLN 62 CG 0.0014 0.0064 0.0134 3257 GLN 62 CD 0.0004 0.0061 0.0172 3258 GLN 62 OE1 -0.0011 0.0059 0.0189 3259 GLN 62 NE2 0.0013 0.0059 0.0185 3260 VAL 63 N 0.0018 0.0075 0.0040 3261 VAL 63 CA 0.0005 0.0078 0.0016 3262 VAL 63 C 0.0022 0.0076 0.0025 3263 VAL 63 O 0.0052 0.0076 0.0016 3264 VAL 63 CB 0.0013 0.0082 -0.0022 3265 VAL 63 CG1 0.0001 0.0085 -0.0046 3266 VAL 63 CG2 -0.0003 0.0083 -0.0031 3267 THR 64 N 0.0003 0.0075 0.0044 3268 THR 64 CA 0.0017 0.0073 0.0055 3269 THR 64 C -0.0007 0.0075 0.0043 3270 THR 64 O -0.0035 0.0074 0.0058 3271 THR 64 CB 0.0020 0.0069 0.0095 3272 THR 64 OG1 -0.0013 0.0068 0.0110 3273 THR 64 CG2 0.0039 0.0066 0.0109 3274 ASN 65 N -0.0009 0.0084 0.0033 3275 ASN 65 CA -0.0008 0.0082 0.0030 3276 ASN 65 C 0.0010 0.0082 0.0036 3277 ASN 65 O 0.0023 0.0081 0.0038 3278 ASN 65 CB -0.0014 0.0071 0.0014 3279 ASN 65 CG -0.0001 0.0061 0.0003 3280 ASN 65 OD1 0.0014 0.0060 0.0006 3281 ASN 65 ND2 -0.0009 0.0052 -0.0010 3282 VAL 66 N 0.0011 0.0083 0.0037 3283 VAL 66 CA 0.0028 0.0081 0.0039 3284 VAL 66 C 0.0028 0.0073 0.0028 3285 VAL 66 O 0.0014 0.0072 0.0024 3286 VAL 66 CB 0.0033 0.0091 0.0055 3287 VAL 66 CG1 0.0029 0.0101 0.0066 3288 VAL 66 CG2 0.0026 0.0095 0.0057 3289 GLY 67 N 0.0042 0.0066 0.0022 3290 GLY 67 CA 0.0045 0.0057 0.0011 3291 GLY 67 C 0.0033 0.0049 -0.0003 3292 GLY 67 O 0.0035 0.0042 -0.0013 3293 GLY 68 N 0.0022 0.0050 -0.0005 3294 GLY 68 CA 0.0009 0.0044 -0.0017 3295 GLY 68 C 0.0008 0.0038 -0.0025 3296 GLY 68 O 0.0018 0.0040 -0.0020 3297 ALA 69 N -0.0010 0.0022 -0.0028 3298 ALA 69 CA -0.0007 0.0017 -0.0039 3299 ALA 69 C -0.0012 0.0023 -0.0048 3300 ALA 69 O -0.0018 0.0029 -0.0052 3301 ALA 69 CB -0.0004 0.0014 -0.0043 3302 VAL 70 N -0.0010 0.0020 -0.0052 3303 VAL 70 CA -0.0015 0.0025 -0.0060 3304 VAL 70 C -0.0011 0.0020 -0.0072 3305 VAL 70 O -0.0004 0.0011 -0.0073 3306 VAL 70 CB -0.0016 0.0027 -0.0055 3307 VAL 70 CG1 -0.0020 0.0031 -0.0063 3308 VAL 70 CG2 -0.0020 0.0033 -0.0044 3309 VAL 71 N -0.0016 0.0025 -0.0082 3310 VAL 71 CA -0.0014 0.0021 -0.0094 3311 VAL 71 C -0.0018 0.0026 -0.0099 3312 VAL 71 O -0.0025 0.0034 -0.0100 3313 VAL 71 CB -0.0015 0.0022 -0.0102 3314 VAL 71 CG1 -0.0014 0.0019 -0.0115 3315 VAL 71 CG2 -0.0011 0.0017 -0.0097 3316 THR 72 N -0.0014 0.0020 -0.0104 3317 THR 72 CA -0.0017 0.0024 -0.0109 3318 THR 72 C -0.0015 0.0021 -0.0121 3319 THR 72 O -0.0009 0.0012 -0.0124 3320 THR 72 CB -0.0015 0.0022 -0.0101 3321 THR 72 OG1 -0.0007 0.0012 -0.0101 3322 THR 72 CG2 -0.0017 0.0026 -0.0089 3323 GLY 73 N 0.0012 -0.0025 -0.0136 3324 GLY 73 CA 0.0005 -0.0027 -0.0139 3325 GLY 73 C -0.0000 -0.0034 -0.0135 3326 GLY 73 O -0.0008 -0.0036 -0.0138 3327 VAL 74 N 0.0003 -0.0038 -0.0128 3328 VAL 74 CA -0.0003 -0.0045 -0.0124 3329 VAL 74 C -0.0006 -0.0045 -0.0126 3330 VAL 74 O -0.0001 -0.0041 -0.0128 3331 VAL 74 CB 0.0001 -0.0050 -0.0116 3332 VAL 74 CG1 0.0005 -0.0049 -0.0114 3333 VAL 74 CG2 0.0007 -0.0050 -0.0112 3334 THR 75 N -0.0013 -0.0050 -0.0126 3335 THR 75 CA -0.0016 -0.0050 -0.0128 3336 THR 75 C -0.0021 -0.0058 -0.0123 3337 THR 75 O -0.0026 -0.0062 -0.0122 3338 THR 75 CB -0.0022 -0.0047 -0.0136 3339 THR 75 OG1 -0.0017 -0.0040 -0.0141 3340 THR 75 CG2 -0.0025 -0.0047 -0.0139 3341 ALA 76 N -0.0020 -0.0059 -0.0121 3342 ALA 76 CA -0.0025 -0.0066 -0.0117 3343 ALA 76 C -0.0025 -0.0072 -0.0110 3344 ALA 76 O -0.0031 -0.0077 -0.0108 3345 ALA 76 CB -0.0034 -0.0067 -0.0122 3346 VAL 77 N -0.0009 -0.0096 -0.0096 3347 VAL 77 CA -0.0023 -0.0098 -0.0076 3348 VAL 77 C -0.0013 -0.0087 -0.0053 3349 VAL 77 O 0.0007 -0.0077 -0.0051 3350 VAL 77 CB -0.0025 -0.0099 -0.0078 3351 VAL 77 CG1 -0.0039 -0.0101 -0.0057 3352 VAL 77 CG2 -0.0033 -0.0109 -0.0101 3353 ALA 78 N -0.0027 -0.0089 -0.0036 3354 ALA 78 CA -0.0019 -0.0080 -0.0014 3355 ALA 78 C -0.0036 -0.0083 0.0007 3356 ALA 78 O -0.0052 -0.0090 0.0010 3357 ALA 78 CB -0.0012 -0.0077 -0.0018 3358 GLN 79 N -0.0032 -0.0077 0.0024 3359 GLN 79 CA -0.0048 -0.0079 0.0045 3360 GLN 79 C -0.0036 -0.0068 0.0067 3361 GLN 79 O -0.0016 -0.0058 0.0066 3362 GLN 79 CB -0.0056 -0.0083 0.0048 3363 GLN 79 CG -0.0039 -0.0073 0.0052 3364 GLN 79 CD -0.0049 -0.0077 0.0054 3365 GLN 79 OE1 -0.0069 -0.0087 0.0053 3366 GLN 79 NE2 -0.0035 -0.0069 0.0058 3367 LYS 80 N -0.0050 -0.0069 0.0087 3368 LYS 80 CA -0.0042 -0.0059 0.0110 3369 LYS 80 C -0.0056 -0.0062 0.0127 3370 LYS 80 O -0.0076 -0.0073 0.0124 3371 LYS 80 CB -0.0043 -0.0057 0.0120 3372 LYS 80 CG -0.0031 -0.0046 0.0143 3373 LYS 80 CD -0.0032 -0.0043 0.0153 3374 LYS 80 CE -0.0021 -0.0032 0.0176 3375 LYS 80 NZ -0.0022 -0.0029 0.0189 3376 THR 81 N -0.0048 -0.0040 0.0139 3377 THR 81 CA -0.0072 -0.0040 0.0165 3378 THR 81 C -0.0061 -0.0020 0.0203 3379 THR 81 O -0.0030 -0.0003 0.0207 3380 THR 81 CB -0.0070 -0.0045 0.0153 3381 THR 81 OG1 -0.0081 -0.0065 0.0117 3382 THR 81 CG2 -0.0096 -0.0046 0.0179 3383 VAL 82 N -0.0086 -0.0020 0.0229 3384 VAL 82 CA -0.0081 -0.0002 0.0268 3385 VAL 82 C -0.0102 -0.0005 0.0285 3386 VAL 82 O -0.0135 -0.0020 0.0286 3387 VAL 82 CB -0.0093 0.0000 0.0287 3388 VAL 82 CG1 -0.0091 0.0018 0.0328 3389 VAL 82 CG2 -0.0070 0.0004 0.0271 3390 GLU 83 N -0.0084 0.0010 0.0300 3391 GLU 83 CA -0.0099 0.0011 0.0319 3392 GLU 83 C -0.0119 -0.0008 0.0295 3393 GLU 83 O -0.0151 -0.0021 0.0302 3394 GLU 83 CB -0.0123 0.0015 0.0355 3395 GLU 83 CG -0.0103 0.0035 0.0383 3396 GLU 83 CD -0.0127 0.0039 0.0419 3397 GLU 83 OE1 -0.0160 0.0025 0.0421 3398 GLU 83 OE2 -0.0113 0.0056 0.0445 3399 GLY 84 N -0.0098 -0.0011 0.0266 3400 GLY 84 CA -0.0112 -0.0027 0.0242 3401 GLY 84 C -0.0083 -0.0026 0.0212 3402 GLY 84 O -0.0053 -0.0014 0.0208 3403 ALA 85 N -0.0088 -0.0033 0.0200 3404 ALA 85 CA -0.0068 -0.0032 0.0177 3405 ALA 85 C -0.0077 -0.0042 0.0150 3406 ALA 85 O -0.0100 -0.0051 0.0145 3407 ALA 85 CB -0.0065 -0.0032 0.0175 3408 GLY 86 N -0.0058 -0.0040 0.0134 3409 GLY 86 CA -0.0065 -0.0049 0.0108 3410 GLY 86 C -0.0046 -0.0049 0.0083 3411 GLY 86 O -0.0023 -0.0042 0.0080 3412 SER 87 N -0.0057 -0.0057 0.0065 3413 SER 87 CA -0.0042 -0.0059 0.0040 3414 SER 87 C -0.0053 -0.0068 0.0016 3415 SER 87 O -0.0075 -0.0077 0.0008 3416 SER 87 CB -0.0045 -0.0060 0.0037 3417 SER 87 OG -0.0032 -0.0051 0.0058 3418 ILE 88 N -0.0038 -0.0066 0.0004 3419 ILE 88 CA -0.0049 -0.0075 -0.0016 3420 ILE 88 C -0.0052 -0.0083 -0.0043 3421 ILE 88 O -0.0074 -0.0092 -0.0052 3422 ILE 88 CB -0.0031 -0.0070 -0.0019 3423 ILE 88 CG1 -0.0036 -0.0065 0.0007 3424 ILE 88 CG2 -0.0039 -0.0079 -0.0044 3425 ILE 88 CD1 -0.0018 -0.0058 0.0009 3426 ALA 89 N -0.0039 -0.0033 -0.0062 3427 ALA 89 CA -0.0038 -0.0027 -0.0067 3428 ALA 89 C -0.0029 -0.0023 -0.0061 3429 ALA 89 O -0.0023 -0.0016 -0.0062 3430 ALA 89 CB -0.0040 -0.0020 -0.0075 3431 ALA 90 N -0.0027 -0.0027 -0.0055 3432 ALA 90 CA -0.0018 -0.0024 -0.0049 3433 ALA 90 C -0.0017 -0.0021 -0.0052 3434 ALA 90 O -0.0024 -0.0024 -0.0056 3435 ALA 90 CB -0.0016 -0.0032 -0.0040 3436 ALA 91 N -0.0009 -0.0015 -0.0050 3437 ALA 91 CA -0.0008 -0.0011 -0.0052 3438 ALA 91 C 0.0001 -0.0007 -0.0046 3439 ALA 91 O 0.0007 -0.0002 -0.0045 3440 ALA 91 CB -0.0010 -0.0003 -0.0062 3441 THR 92 N 0.0003 -0.0011 -0.0042 3442 THR 92 CA 0.0011 -0.0008 -0.0035 3443 THR 92 C 0.0012 -0.0005 -0.0038 3444 THR 92 O 0.0006 -0.0008 -0.0042 3445 THR 92 CB 0.0013 -0.0016 -0.0026 3446 THR 92 OG1 0.0007 -0.0023 -0.0026 3447 THR 92 CG2 0.0011 -0.0021 -0.0023 3448 GLY 93 N 0.0026 -0.0003 -0.0025 3449 GLY 93 CA 0.0024 -0.0001 -0.0037 3450 GLY 93 C 0.0020 0.0004 -0.0045 3451 GLY 93 O 0.0014 0.0010 -0.0053 3452 PHE 94 N 0.0023 -0.0000 -0.0044 3453 PHE 94 CA 0.0020 0.0003 -0.0051 3454 PHE 94 C 0.0021 0.0002 -0.0043 3455 PHE 94 O 0.0027 -0.0005 -0.0036 3456 PHE 94 CB 0.0025 -0.0004 -0.0063 3457 PHE 94 CG 0.0024 -0.0003 -0.0073 3458 PHE 94 CD1 0.0018 0.0004 -0.0082 3459 PHE 94 CD2 0.0029 -0.0009 -0.0073 3460 PHE 94 CE1 0.0017 0.0005 -0.0092 3461 PHE 94 CE2 0.0028 -0.0008 -0.0082 3462 PHE 94 CZ 0.0022 -0.0001 -0.0092 3463 VAL 95 N 0.0015 0.0010 -0.0044 3464 VAL 95 CA 0.0015 0.0010 -0.0038 3465 VAL 95 C 0.0012 0.0014 -0.0048 3466 VAL 95 O 0.0005 0.0022 -0.0052 3467 VAL 95 CB 0.0010 0.0017 -0.0026 3468 VAL 95 CG1 0.0009 0.0018 -0.0021 3469 VAL 95 CG2 0.0013 0.0013 -0.0015 3470 LYS 96 N 0.0016 0.0007 -0.0050 3471 LYS 96 CA 0.0014 0.0010 -0.0060 3472 LYS 96 C 0.0015 0.0010 -0.0054 3473 LYS 96 O 0.0017 0.0007 -0.0043 3474 LYS 96 CB 0.0020 0.0002 -0.0071 3475 LYS 96 CG 0.0019 0.0003 -0.0079 3476 LYS 96 CD 0.0011 0.0012 -0.0087 3477 LYS 96 CE 0.0010 0.0013 -0.0094 3478 LYS 96 NZ 0.0016 0.0005 -0.0105 3479 LYS 97 N -0.0045 0.0044 -0.0098 3480 LYS 97 CA -0.0041 0.0033 -0.0089 3481 LYS 97 C -0.0029 0.0034 -0.0081 3482 LYS 97 O -0.0026 0.0039 -0.0082 3483 LYS 97 CB -0.0051 0.0021 -0.0088 3484 LYS 97 CG -0.0049 0.0008 -0.0079 3485 LYS 97 CD -0.0049 0.0007 -0.0079 3486 LYS 97 CE -0.0046 -0.0006 -0.0070 3487 LYS 97 NZ -0.0056 -0.0017 -0.0069 3488 ASP 98 N -0.0021 0.0029 -0.0073 3489 ASP 98 CA -0.0009 0.0028 -0.0065 3490 ASP 98 C -0.0008 0.0015 -0.0056 3491 ASP 98 O -0.0016 0.0007 -0.0057 3492 ASP 98 CB 0.0001 0.0040 -0.0064 3493 ASP 98 CG 0.0013 0.0042 -0.0058 3494 ASP 98 OD1 0.0013 0.0034 -0.0053 3495 ASP 98 OD2 0.0022 0.0051 -0.0057 3496 GLN 99 N 0.0003 0.0013 -0.0048 3497 GLN 99 CA 0.0006 0.0001 -0.0039 3498 GLN 99 C 0.0007 -0.0000 -0.0037 3499 GLN 99 O 0.0002 -0.0010 -0.0035 3500 GLN 99 CB 0.0017 -0.0001 -0.0031 3501 GLN 99 CG 0.0020 -0.0013 -0.0021 3502 GLN 99 CD 0.0032 -0.0014 -0.0013 3503 GLN 99 OE1 0.0038 -0.0005 -0.0014 3504 GLN 99 NE2 0.0035 -0.0025 -0.0005 3505 VAL 37 N 0.0109 0.0065 -0.0087 3506 VAL 37 CA 0.0108 0.0058 -0.0081 3507 VAL 37 C 0.0090 0.0053 -0.0077 3508 VAL 37 O 0.0084 0.0050 -0.0076 3509 VAL 37 CB 0.0113 0.0067 -0.0088 3510 VAL 37 CG1 0.0131 0.0068 -0.0089 3511 VAL 37 CG2 0.0106 0.0080 -0.0098 3512 LEU 38 N 0.0083 0.0051 -0.0076 3513 LEU 38 CA 0.0066 0.0046 -0.0072 3514 LEU 38 C 0.0065 0.0032 -0.0062 3515 LEU 38 O 0.0054 0.0028 -0.0059 3516 LEU 38 CB 0.0059 0.0048 -0.0074 3517 LEU 38 CG 0.0051 0.0060 -0.0083 3518 LEU 38 CD1 0.0034 0.0062 -0.0085 3519 LEU 38 CD2 0.0061 0.0073 -0.0093 3520 TYR 39 N 0.0076 0.0024 -0.0055 3521 TYR 39 CA 0.0077 0.0010 -0.0045 3522 TYR 39 C 0.0061 0.0002 -0.0039 3523 TYR 39 O 0.0053 -0.0003 -0.0035 3524 TYR 39 CB 0.0083 0.0008 -0.0043 3525 TYR 39 CG 0.0101 0.0012 -0.0046 3526 TYR 39 CD1 0.0114 0.0004 -0.0040 3527 TYR 39 CD2 0.0104 0.0024 -0.0055 3528 TYR 39 CE1 0.0130 0.0008 -0.0043 3529 TYR 39 CE2 0.0120 0.0027 -0.0058 3530 TYR 39 CZ 0.0133 0.0019 -0.0052 3531 TYR 39 OH 0.0149 0.0023 -0.0054 3532 VAL 40 N 0.0056 0.0002 -0.0039 3533 VAL 40 CA 0.0041 -0.0005 -0.0033 3534 VAL 40 C 0.0045 -0.0020 -0.0022 3535 VAL 40 O 0.0034 -0.0028 -0.0016 3536 VAL 40 CB 0.0035 -0.0001 -0.0037 3537 VAL 40 CG1 0.0020 -0.0008 -0.0031 3538 VAL 40 CG2 0.0032 0.0014 -0.0048 3539 GLY 41 N 0.0027 -0.0030 0.0006 3540 GLY 41 CA 0.0031 -0.0041 0.0016 3541 GLY 41 C 0.0043 -0.0044 0.0010 3542 GLY 41 O 0.0053 -0.0054 0.0013 3543 SER 42 N 0.0041 -0.0035 0.0001 3544 SER 42 CA 0.0053 -0.0036 -0.0007 3545 SER 42 C 0.0058 -0.0046 0.0001 3546 SER 42 O 0.0071 -0.0052 -0.0002 3547 SER 42 CB 0.0049 -0.0024 -0.0017 3548 SER 42 OG 0.0060 -0.0025 -0.0025 3549 LYS 43 N 0.0048 -0.0048 0.0011 3550 LYS 43 CA 0.0052 -0.0059 0.0021 3551 LYS 43 C 0.0038 -0.0060 0.0033 3552 LYS 43 O 0.0028 -0.0053 0.0032 3553 LYS 43 CB 0.0057 -0.0059 0.0016 3554 LYS 43 CG 0.0063 -0.0071 0.0025 3555 LYS 43 CD 0.0069 -0.0071 0.0021 3556 LYS 43 CE 0.0076 -0.0083 0.0030 3557 LYS 43 NZ 0.0065 -0.0087 0.0043 3558 THR 44 N 0.0039 -0.0070 0.0043 3559 THR 44 CA 0.0027 -0.0073 0.0056 3560 THR 44 C 0.0033 -0.0086 0.0065 3561 THR 44 O 0.0046 -0.0093 0.0063 3562 THR 44 CB 0.0020 -0.0073 0.0061 3563 THR 44 OG1 0.0030 -0.0082 0.0063 3564 THR 44 CG2 0.0014 -0.0061 0.0052 3565 LYS 45 N 0.0007 -0.0068 0.0076 3566 LYS 45 CA 0.0005 -0.0075 0.0061 3567 LYS 45 C 0.0009 -0.0072 0.0061 3568 LYS 45 O 0.0021 -0.0064 0.0057 3569 LYS 45 CB 0.0012 -0.0074 0.0047 3570 LYS 45 CG 0.0008 -0.0082 0.0032 3571 LYS 45 CD 0.0014 -0.0082 0.0018 3572 LYS 45 CE 0.0010 -0.0090 0.0003 3573 LYS 45 NZ 0.0015 -0.0091 -0.0010 3574 GLU 46 N -0.0001 -0.0077 0.0066 3575 GLU 46 CA 0.0003 -0.0073 0.0070 3576 GLU 46 C -0.0006 -0.0082 0.0064 3577 GLU 46 O -0.0018 -0.0089 0.0068 3578 GLU 46 CB 0.0003 -0.0067 0.0087 3579 GLU 46 CG -0.0010 -0.0073 0.0099 3580 GLU 46 CD -0.0007 -0.0066 0.0116 3581 GLU 46 OE1 0.0004 -0.0056 0.0118 3582 GLU 46 OE2 -0.0017 -0.0069 0.0126 3583 GLY 47 N -0.0000 -0.0081 0.0054 3584 GLY 47 CA -0.0008 -0.0089 0.0046 3585 GLY 47 C -0.0012 -0.0097 0.0032 3586 GLY 47 O -0.0023 -0.0106 0.0029 3587 VAL 48 N -0.0003 -0.0093 0.0022 3588 VAL 48 CA -0.0007 -0.0100 0.0009 3589 VAL 48 C 0.0002 -0.0099 -0.0007 3590 VAL 48 O 0.0014 -0.0091 -0.0008 3591 VAL 48 CB -0.0004 -0.0098 0.0011 3592 VAL 48 CG1 -0.0007 -0.0104 -0.0003 3593 VAL 48 CG2 -0.0012 -0.0098 0.0026 3594 VAL 49 N 0.0008 -0.0064 -0.0036 3595 VAL 49 CA 0.0013 -0.0068 -0.0041 3596 VAL 49 C 0.0015 -0.0070 -0.0043 3597 VAL 49 O 0.0010 -0.0071 -0.0043 3598 VAL 49 CB 0.0009 -0.0073 -0.0044 3599 VAL 49 CG1 0.0012 -0.0077 -0.0049 3600 VAL 49 CG2 0.0008 -0.0071 -0.0042 3601 HIS 50 N 0.0021 -0.0069 -0.0045 3602 HIS 50 CA 0.0023 -0.0071 -0.0048 3603 HIS 50 C 0.0029 -0.0074 -0.0052 3604 HIS 50 O 0.0035 -0.0071 -0.0052 3605 HIS 50 CB 0.0024 -0.0067 -0.0044 3606 HIS 50 CG 0.0030 -0.0062 -0.0041 3607 HIS 50 ND1 0.0036 -0.0062 -0.0044 3608 HIS 50 CD2 0.0030 -0.0058 -0.0037 3609 HIS 50 CE1 0.0040 -0.0057 -0.0040 3610 HIS 50 NE2 0.0037 -0.0055 -0.0036 3611 GLY 51 N 0.0029 -0.0078 -0.0056 3612 GLY 51 CA 0.0035 -0.0081 -0.0061 3613 GLY 51 C 0.0035 -0.0084 -0.0064 3614 GLY 51 O 0.0040 -0.0083 -0.0065 3615 VAL 52 N 0.0030 -0.0088 -0.0067 3616 VAL 52 CA 0.0030 -0.0091 -0.0070 3617 VAL 52 C 0.0029 -0.0097 -0.0075 3618 VAL 52 O 0.0025 -0.0099 -0.0076 3619 VAL 52 CB 0.0023 -0.0091 -0.0067 3620 VAL 52 CG1 0.0023 -0.0095 -0.0071 3621 VAL 52 CG2 0.0024 -0.0086 -0.0062 3622 ALA 53 N 0.0062 -0.0126 -0.0069 3623 ALA 53 CA 0.0062 -0.0111 -0.0057 3624 ALA 53 C 0.0066 -0.0105 -0.0054 3625 ALA 53 O 0.0060 -0.0113 -0.0057 3626 ALA 53 CB 0.0046 -0.0110 -0.0046 3627 THR 54 N 0.0076 -0.0091 -0.0049 3628 THR 54 CA 0.0082 -0.0085 -0.0048 3629 THR 54 C 0.0084 -0.0068 -0.0036 3630 THR 54 O 0.0092 -0.0061 -0.0034 3631 THR 54 CB 0.0098 -0.0087 -0.0059 3632 THR 54 OG1 0.0096 -0.0103 -0.0070 3633 THR 54 CG2 0.0104 -0.0080 -0.0057 3634 VAL 55 N 0.0077 -0.0063 -0.0028 3635 VAL 55 CA 0.0078 -0.0048 -0.0016 3636 VAL 55 C 0.0084 -0.0043 -0.0016 3637 VAL 55 O 0.0078 -0.0051 -0.0018 3638 VAL 55 CB 0.0062 -0.0045 -0.0004 3639 VAL 55 CG1 0.0064 -0.0029 0.0007 3640 VAL 55 CG2 0.0056 -0.0049 -0.0004 3641 ALA 56 N 0.0097 -0.0031 -0.0015 3642 ALA 56 CA 0.0104 -0.0026 -0.0014 3643 ALA 56 C 0.0107 -0.0009 -0.0003 3644 ALA 56 O 0.0117 -0.0001 -0.0002 3645 ALA 56 CB 0.0121 -0.0029 -0.0026 3646 GLU 57 N 0.0110 0.0018 0.0004 3647 GLU 57 CA 0.0116 0.0019 0.0022 3648 GLU 57 C 0.0109 0.0017 0.0028 3649 GLU 57 O 0.0093 0.0014 0.0030 3650 GLU 57 CB 0.0109 0.0017 0.0034 3651 GLU 57 CG 0.0117 0.0019 0.0030 3652 GLU 57 CD 0.0110 0.0018 0.0042 3653 GLU 57 OE1 0.0097 0.0015 0.0052 3654 GLU 57 OE2 0.0116 0.0019 0.0041 3655 LYS 58 N 0.0120 0.0020 0.0031 3656 LYS 58 CA 0.0116 0.0019 0.0035 3657 LYS 58 C 0.0125 0.0021 0.0052 3658 LYS 58 O 0.0140 0.0024 0.0051 3659 LYS 58 CB 0.0120 0.0020 0.0020 3660 LYS 58 CG 0.0109 0.0017 0.0003 3661 LYS 58 CD 0.0113 0.0018 -0.0012 3662 LYS 58 CE 0.0102 0.0016 -0.0028 3663 LYS 58 NZ 0.0105 0.0016 -0.0042 3664 THR 59 N 0.0115 0.0019 0.0066 3665 THR 59 CA 0.0123 0.0021 0.0083 3666 THR 59 C 0.0130 0.0022 0.0083 3667 THR 59 O 0.0143 0.0025 0.0091 3668 THR 59 CB 0.0110 0.0018 0.0098 3669 THR 59 OG1 0.0105 0.0017 0.0098 3670 THR 59 CG2 0.0119 0.0020 0.0117 3671 LYS 60 N 0.0121 0.0020 0.0074 3672 LYS 60 CA 0.0127 0.0022 0.0072 3673 LYS 60 C 0.0120 0.0020 0.0055 3674 LYS 60 O 0.0105 0.0017 0.0052 3675 LYS 60 CB 0.0121 0.0020 0.0088 3676 LYS 60 CG 0.0129 0.0022 0.0089 3677 LYS 60 CD 0.0124 0.0021 0.0106 3678 LYS 60 CE 0.0132 0.0023 0.0106 3679 LYS 60 NZ 0.0127 0.0022 0.0122 3680 GLU 61 N 0.0119 0.0048 0.0027 3681 GLU 61 CA 0.0111 0.0054 0.0017 3682 GLU 61 C 0.0112 0.0051 0.0022 3683 GLU 61 O 0.0125 0.0049 0.0022 3684 GLU 61 CB 0.0118 0.0059 0.0001 3685 GLU 61 CG 0.0110 0.0065 -0.0010 3686 GLU 61 CD 0.0117 0.0071 -0.0026 3687 GLU 61 OE1 0.0128 0.0070 -0.0028 3688 GLU 61 OE2 0.0112 0.0076 -0.0036 3689 GLN 62 N 0.0099 0.0052 0.0026 3690 GLN 62 CA 0.0098 0.0049 0.0032 3691 GLN 62 C 0.0088 0.0055 0.0023 3692 GLN 62 O 0.0073 0.0058 0.0023 3693 GLN 62 CB 0.0093 0.0043 0.0049 3694 GLN 62 CG 0.0093 0.0040 0.0056 3695 GLN 62 CD 0.0088 0.0034 0.0073 3696 GLN 62 OE1 0.0084 0.0032 0.0078 3697 GLN 62 NE2 0.0088 0.0031 0.0080 3698 VAL 63 N 0.0094 0.0057 0.0016 3699 VAL 63 CA 0.0086 0.0062 0.0008 3700 VAL 63 C 0.0088 0.0059 0.0014 3701 VAL 63 O 0.0101 0.0058 0.0010 3702 VAL 63 CB 0.0090 0.0068 -0.0009 3703 VAL 63 CG1 0.0081 0.0073 -0.0017 3704 VAL 63 CG2 0.0088 0.0071 -0.0015 3705 THR 64 N 0.0077 0.0057 0.0023 3706 THR 64 CA 0.0079 0.0053 0.0030 3707 THR 64 C 0.0064 0.0057 0.0027 3708 THR 64 O 0.0051 0.0057 0.0034 3709 THR 64 CB 0.0080 0.0046 0.0047 3710 THR 64 OG1 0.0065 0.0046 0.0054 3711 THR 64 CG2 0.0092 0.0042 0.0051 3712 ASN 65 N 0.0023 0.0066 0.0029 3713 ASN 65 CA 0.0023 0.0067 0.0031 3714 ASN 65 C 0.0031 0.0066 0.0036 3715 ASN 65 O 0.0037 0.0062 0.0038 3716 ASN 65 CB 0.0020 0.0064 0.0022 3717 ASN 65 CG 0.0026 0.0057 0.0017 3718 ASN 65 OD1 0.0034 0.0054 0.0020 3719 ASN 65 ND2 0.0023 0.0054 0.0009 3720 VAL 66 N 0.0031 0.0068 0.0040 3721 VAL 66 CA 0.0038 0.0065 0.0044 3722 VAL 66 C 0.0038 0.0063 0.0040 3723 VAL 66 O 0.0031 0.0066 0.0038 3724 VAL 66 CB 0.0040 0.0070 0.0054 3725 VAL 66 CG1 0.0039 0.0073 0.0058 3726 VAL 66 CG2 0.0036 0.0075 0.0057 3727 GLY 67 N 0.0045 0.0058 0.0039 3728 GLY 67 CA 0.0045 0.0056 0.0036 3729 GLY 67 C 0.0040 0.0054 0.0027 3730 GLY 67 O 0.0041 0.0052 0.0024 3731 GLY 68 N 0.0035 0.0054 0.0023 3732 GLY 68 CA 0.0029 0.0053 0.0015 3733 GLY 68 C 0.0030 0.0049 0.0008 3734 GLY 68 O 0.0035 0.0047 0.0010 3735 ALA 69 N 0.0011 0.0026 -0.0004 3736 ALA 69 CA 0.0015 0.0022 -0.0014 3737 ALA 69 C 0.0014 0.0028 -0.0023 3738 ALA 69 O 0.0010 0.0036 -0.0025 3739 ALA 69 CB 0.0015 0.0022 -0.0015 3740 VAL 70 N 0.0017 0.0024 -0.0029 3741 VAL 70 CA 0.0016 0.0029 -0.0037 3742 VAL 70 C 0.0020 0.0025 -0.0047 3743 VAL 70 O 0.0024 0.0017 -0.0048 3744 VAL 70 CB 0.0016 0.0028 -0.0035 3745 VAL 70 CG1 0.0016 0.0033 -0.0044 3746 VAL 70 CG2 0.0012 0.0033 -0.0026 3747 VAL 71 N 0.0019 0.0032 -0.0055 3748 VAL 71 CA 0.0022 0.0030 -0.0066 3749 VAL 71 C 0.0021 0.0034 -0.0073 3750 VAL 71 O 0.0017 0.0042 -0.0073 3751 VAL 71 CB 0.0021 0.0034 -0.0070 3752 VAL 71 CG1 0.0024 0.0033 -0.0081 3753 VAL 71 CG2 0.0021 0.0030 -0.0064 3754 THR 72 N 0.0025 0.0027 -0.0078 3755 THR 72 CA 0.0025 0.0030 -0.0085 3756 THR 72 C 0.0029 0.0028 -0.0096 3757 THR 72 O 0.0033 0.0019 -0.0098 3758 THR 72 CB 0.0027 0.0025 -0.0081 3759 THR 72 OG1 0.0032 0.0015 -0.0081 3760 THR 72 CG2 0.0024 0.0027 -0.0070 3761 GLY 73 N 0.0016 -0.0020 -0.0116 3762 GLY 73 CA 0.0006 -0.0022 -0.0115 3763 GLY 73 C -0.0000 -0.0029 -0.0109 3764 GLY 73 O -0.0009 -0.0028 -0.0110 3765 VAL 74 N 0.0003 -0.0037 -0.0104 3766 VAL 74 CA -0.0003 -0.0044 -0.0098 3767 VAL 74 C -0.0009 -0.0047 -0.0096 3768 VAL 74 O -0.0005 -0.0046 -0.0097 3769 VAL 74 CB 0.0003 -0.0051 -0.0093 3770 VAL 74 CG1 0.0010 -0.0048 -0.0096 3771 VAL 74 CG2 0.0009 -0.0057 -0.0089 3772 THR 75 N -0.0018 -0.0051 -0.0093 3773 THR 75 CA -0.0024 -0.0054 -0.0092 3774 THR 75 C -0.0030 -0.0062 -0.0086 3775 THR 75 O -0.0034 -0.0063 -0.0085 3776 THR 75 CB -0.0032 -0.0047 -0.0097 3777 THR 75 OG1 -0.0027 -0.0039 -0.0103 3778 THR 75 CG2 -0.0039 -0.0049 -0.0095 3779 ALA 76 N -0.0030 -0.0068 -0.0081 3780 ALA 76 CA -0.0037 -0.0076 -0.0075 3781 ALA 76 C -0.0034 -0.0081 -0.0071 3782 ALA 76 O -0.0040 -0.0084 -0.0069 3783 ALA 76 CB -0.0049 -0.0074 -0.0077 3784 VAL 77 N -0.0044 -0.0105 -0.0064 3785 VAL 77 CA -0.0053 -0.0106 -0.0052 3786 VAL 77 C -0.0047 -0.0099 -0.0037 3787 VAL 77 O -0.0034 -0.0094 -0.0036 3788 VAL 77 CB -0.0055 -0.0107 -0.0054 3789 VAL 77 CG1 -0.0064 -0.0108 -0.0042 3790 VAL 77 CG2 -0.0060 -0.0113 -0.0069 3791 ALA 78 N -0.0056 -0.0100 -0.0026 3792 ALA 78 CA -0.0051 -0.0094 -0.0012 3793 ALA 78 C -0.0062 -0.0095 0.0001 3794 ALA 78 O -0.0072 -0.0099 0.0003 3795 ALA 78 CB -0.0046 -0.0092 -0.0013 3796 GLN 79 N -0.0060 -0.0092 0.0011 3797 GLN 79 CA -0.0070 -0.0092 0.0024 3798 GLN 79 C -0.0063 -0.0086 0.0038 3799 GLN 79 O -0.0050 -0.0080 0.0038 3800 GLN 79 CB -0.0076 -0.0095 0.0024 3801 GLN 79 CG -0.0065 -0.0090 0.0026 3802 GLN 79 CD -0.0071 -0.0092 0.0026 3803 GLN 79 OE1 -0.0084 -0.0098 0.0025 3804 GLN 79 NE2 -0.0062 -0.0088 0.0028 3805 LYS 80 N -0.0071 -0.0086 0.0050 3806 LYS 80 CA -0.0066 -0.0080 0.0065 3807 LYS 80 C -0.0076 -0.0081 0.0075 3808 LYS 80 O -0.0089 -0.0087 0.0072 3809 LYS 80 CB -0.0067 -0.0078 0.0072 3810 LYS 80 CG -0.0059 -0.0071 0.0087 3811 LYS 80 CD -0.0060 -0.0069 0.0095 3812 LYS 80 CE -0.0053 -0.0062 0.0109 3813 LYS 80 NZ -0.0053 -0.0060 0.0118 3814 THR 81 N -0.0109 -0.0060 0.0085 3815 THR 81 CA -0.0122 -0.0058 0.0092 3816 THR 81 C -0.0122 -0.0045 0.0100 3817 THR 81 O -0.0116 -0.0039 0.0100 3818 THR 81 CB -0.0129 -0.0065 0.0091 3819 THR 81 OG1 -0.0129 -0.0078 0.0083 3820 THR 81 CG2 -0.0142 -0.0063 0.0097 3821 VAL 82 N -0.0129 -0.0040 0.0105 3822 VAL 82 CA -0.0131 -0.0028 0.0114 3823 VAL 82 C -0.0145 -0.0029 0.0119 3824 VAL 82 O -0.0154 -0.0035 0.0120 3825 VAL 82 CB -0.0130 -0.0021 0.0117 3826 VAL 82 CG1 -0.0133 -0.0009 0.0126 3827 VAL 82 CG2 -0.0116 -0.0020 0.0112 3828 GLU 83 N -0.0146 -0.0023 0.0123 3829 GLU 83 CA -0.0158 -0.0023 0.0128 3830 GLU 83 C -0.0166 -0.0035 0.0124 3831 GLU 83 O -0.0177 -0.0039 0.0127 3832 GLU 83 CB -0.0166 -0.0015 0.0136 3833 GLU 83 CG -0.0160 -0.0002 0.0141 3834 GLU 83 CD -0.0168 0.0005 0.0149 3835 GLU 83 OE1 -0.0178 -0.0000 0.0150 3836 GLU 83 OE2 -0.0164 0.0016 0.0154 3837 GLY 84 N -0.0161 -0.0041 0.0118 3838 GLY 84 CA -0.0168 -0.0053 0.0114 3839 GLY 84 C -0.0159 -0.0058 0.0108 3840 GLY 84 O -0.0148 -0.0053 0.0106 3841 ALA 85 N -0.0139 -0.0037 0.0106 3842 ALA 85 CA -0.0127 -0.0043 0.0093 3843 ALA 85 C -0.0129 -0.0052 0.0078 3844 ALA 85 O -0.0144 -0.0055 0.0074 3845 ALA 85 CB -0.0130 -0.0047 0.0087 3846 GLY 86 N -0.0113 -0.0054 0.0071 3847 GLY 86 CA -0.0114 -0.0062 0.0057 3848 GLY 86 C -0.0103 -0.0069 0.0043 3849 GLY 86 O -0.0086 -0.0068 0.0043 3850 SER 87 N -0.0111 -0.0078 0.0030 3851 SER 87 CA -0.0102 -0.0085 0.0015 3852 SER 87 C -0.0105 -0.0092 0.0003 3853 SER 87 O -0.0120 -0.0097 -0.0003 3854 SER 87 CB -0.0108 -0.0089 0.0009 3855 SER 87 OG -0.0104 -0.0083 0.0019 3856 ILE 88 N -0.0091 -0.0093 -0.0001 3857 ILE 88 CA -0.0094 -0.0099 -0.0010 3858 ILE 88 C -0.0097 -0.0109 -0.0028 3859 ILE 88 O -0.0111 -0.0114 -0.0034 3860 ILE 88 CB -0.0078 -0.0096 -0.0008 3861 ILE 88 CG1 -0.0079 -0.0087 0.0009 3862 ILE 88 CG2 -0.0079 -0.0103 -0.0020 3863 ILE 88 CD1 -0.0064 -0.0082 0.0014 3864 ALA 89 N -0.0060 -0.0026 -0.0045 3865 ALA 89 CA -0.0058 -0.0016 -0.0047 3866 ALA 89 C -0.0047 -0.0012 -0.0043 3867 ALA 89 O -0.0044 -0.0005 -0.0043 3868 ALA 89 CB -0.0064 -0.0007 -0.0053 3869 ALA 90 N -0.0040 -0.0016 -0.0039 3870 ALA 90 CA -0.0030 -0.0013 -0.0034 3871 ALA 90 C -0.0026 -0.0006 -0.0034 3872 ALA 90 O -0.0031 -0.0006 -0.0037 3873 ALA 90 CB -0.0025 -0.0023 -0.0028 3874 ALA 91 N -0.0018 0.0000 -0.0032 3875 ALA 91 CA -0.0014 0.0008 -0.0033 3876 ALA 91 C -0.0003 0.0011 -0.0028 3877 ALA 91 O 0.0001 0.0014 -0.0027 3878 ALA 91 CB -0.0019 0.0018 -0.0038 3879 THR 92 N 0.0003 0.0008 -0.0024 3880 THR 92 CA 0.0014 0.0011 -0.0020 3881 THR 92 C 0.0017 0.0018 -0.0020 3882 THR 92 O 0.0013 0.0018 -0.0022 3883 THR 92 CB 0.0019 0.0000 -0.0014 3884 THR 92 OG1 0.0017 -0.0004 -0.0014 3885 THR 92 CG2 0.0015 -0.0008 -0.0014 3886 GLY 93 N 0.0003 0.0015 -0.0009 3887 GLY 93 CA -0.0000 0.0013 -0.0013 3888 GLY 93 C -0.0005 0.0015 -0.0015 3889 GLY 93 O -0.0009 0.0015 -0.0018 3890 PHE 94 N -0.0005 0.0016 -0.0013 3891 PHE 94 CA -0.0009 0.0018 -0.0015 3892 PHE 94 C -0.0009 0.0021 -0.0010 3893 PHE 94 O -0.0005 0.0021 -0.0008 3894 PHE 94 CB -0.0009 0.0015 -0.0018 3895 PHE 94 CG -0.0010 0.0012 -0.0023 3896 PHE 94 CD1 -0.0015 0.0012 -0.0026 3897 PHE 94 CD2 -0.0006 0.0008 -0.0024 3898 PHE 94 CE1 -0.0016 0.0009 -0.0030 3899 PHE 94 CE2 -0.0007 0.0006 -0.0028 3900 PHE 94 CZ -0.0012 0.0006 -0.0031 3901 VAL 95 N -0.0013 0.0024 -0.0010 3902 VAL 95 CA -0.0014 0.0028 -0.0006 3903 VAL 95 C -0.0019 0.0029 -0.0009 3904 VAL 95 O -0.0023 0.0030 -0.0010 3905 VAL 95 CB -0.0015 0.0031 -0.0002 3906 VAL 95 CG1 -0.0016 0.0035 0.0001 3907 VAL 95 CG2 -0.0010 0.0030 0.0000 3908 LYS 96 N -0.0018 0.0029 -0.0009 3909 LYS 96 CA -0.0023 0.0029 -0.0011 3910 LYS 96 C -0.0023 0.0033 -0.0007 3911 LYS 96 O -0.0021 0.0034 -0.0003 3912 LYS 96 CB -0.0022 0.0026 -0.0015 3913 LYS 96 CG -0.0022 0.0022 -0.0019 3914 LYS 96 CD -0.0027 0.0023 -0.0021 3915 LYS 96 CE -0.0027 0.0020 -0.0025 3916 LYS 96 NZ -0.0025 0.0017 -0.0029 3917 LYS 97 N -0.0082 0.0010 -0.0047 3918 LYS 97 CA -0.0077 -0.0002 -0.0044 3919 LYS 97 C -0.0064 -0.0001 -0.0042 3920 LYS 97 O -0.0060 0.0007 -0.0042 3921 LYS 97 CB -0.0083 -0.0010 -0.0045 3922 LYS 97 CG -0.0079 -0.0023 -0.0043 3923 LYS 97 CD -0.0084 -0.0029 -0.0043 3924 LYS 97 CE -0.0080 -0.0042 -0.0041 3925 LYS 97 NZ -0.0085 -0.0049 -0.0041 3926 ASP 98 N -0.0058 -0.0008 -0.0040 3927 ASP 98 CA -0.0046 -0.0009 -0.0038 3928 ASP 98 C -0.0043 -0.0023 -0.0036 3929 ASP 98 O -0.0051 -0.0030 -0.0037 3930 ASP 98 CB -0.0040 -0.0002 -0.0037 3931 ASP 98 CG -0.0027 0.0001 -0.0035 3932 ASP 98 OD1 -0.0022 -0.0003 -0.0034 3933 ASP 98 OD2 -0.0021 0.0007 -0.0034 3934 GLN 99 N -0.0032 -0.0025 -0.0033 3935 GLN 99 CA -0.0028 -0.0038 -0.0031 3936 GLN 99 C -0.0031 -0.0043 -0.0031 3937 GLN 99 O -0.0036 -0.0053 -0.0032 3938 GLN 99 CB -0.0015 -0.0038 -0.0029 3939 GLN 99 CG -0.0010 -0.0051 -0.0027 3940 GLN 99 CD 0.0003 -0.0051 -0.0024 3941 GLN 99 OE1 0.0009 -0.0042 -0.0024 3942 GLN 99 NE2 0.0008 -0.0061 -0.0022 3943 VAL 37 N 0.0046 0.0072 0.0011 3944 VAL 37 CA 0.0062 0.0067 0.0004 3945 VAL 37 C 0.0055 0.0063 0.0004 3946 VAL 37 O 0.0066 0.0064 0.0001 3947 VAL 37 CB 0.0079 0.0080 0.0007 3948 VAL 37 CG1 0.0088 0.0079 0.0004 3949 VAL 37 CG2 0.0073 0.0098 0.0019 3950 LEU 38 N 0.0037 0.0059 0.0006 3951 LEU 38 CA 0.0029 0.0055 0.0006 3952 LEU 38 C 0.0034 0.0039 -0.0005 3953 LEU 38 O 0.0040 0.0038 -0.0007 3954 LEU 38 CB 0.0007 0.0055 0.0011 3955 LEU 38 CG -0.0003 0.0070 0.0023 3956 LEU 38 CD1 -0.0002 0.0077 0.0027 3957 LEU 38 CD2 0.0004 0.0084 0.0030 3958 TYR 39 N 0.0032 0.0026 -0.0012 3959 TYR 39 CA 0.0037 0.0009 -0.0023 3960 TYR 39 C 0.0027 0.0002 -0.0025 3961 TYR 39 O 0.0036 -0.0001 -0.0029 3962 TYR 39 CB 0.0059 0.0010 -0.0029 3963 TYR 39 CG 0.0070 0.0013 -0.0030 3964 TYR 39 CD1 0.0071 -0.0000 -0.0038 3965 TYR 39 CD2 0.0079 0.0028 -0.0023 3966 TYR 39 CE1 0.0081 0.0003 -0.0039 3967 TYR 39 CE2 0.0089 0.0031 -0.0024 3968 TYR 39 CZ 0.0090 0.0018 -0.0032 3969 TYR 39 OH 0.0100 0.0021 -0.0033 3970 VAL 40 N 0.0009 -0.0002 -0.0022 3971 VAL 40 CA -0.0002 -0.0009 -0.0023 3972 VAL 40 C -0.0000 -0.0028 -0.0035 3973 VAL 40 O 0.0001 -0.0034 -0.0039 3974 VAL 40 CB -0.0023 -0.0006 -0.0016 3975 VAL 40 CG1 -0.0035 -0.0015 -0.0018 3976 VAL 40 CG2 -0.0025 0.0012 -0.0005 3977 GLY 41 N -0.0006 -0.0030 -0.0016 3978 GLY 41 CA -0.0002 -0.0039 -0.0005 3979 GLY 41 C 0.0009 -0.0040 0.0003 3980 GLY 41 O 0.0019 -0.0040 0.0009 3981 SER 42 N 0.0009 -0.0040 0.0002 3982 SER 42 CA 0.0020 -0.0038 0.0007 3983 SER 42 C 0.0025 -0.0047 0.0020 3984 SER 42 O 0.0037 -0.0046 0.0025 3985 SER 42 CB 0.0016 -0.0037 0.0004 3986 SER 42 OG 0.0027 -0.0036 0.0009 3987 LYS 43 N 0.0016 -0.0057 0.0025 3988 LYS 43 CA 0.0019 -0.0066 0.0036 3989 LYS 43 C 0.0007 -0.0074 0.0037 3990 LYS 43 O -0.0003 -0.0078 0.0036 3991 LYS 43 CB 0.0025 -0.0070 0.0044 3992 LYS 43 CG 0.0030 -0.0079 0.0056 3993 LYS 43 CD 0.0037 -0.0083 0.0063 3994 LYS 43 CE 0.0043 -0.0091 0.0075 3995 LYS 43 NZ 0.0033 -0.0100 0.0079 3996 THR 44 N 0.0007 -0.0077 0.0040 3997 THR 44 CA -0.0004 -0.0086 0.0043 3998 THR 44 C 0.0002 -0.0094 0.0055 3999 THR 44 O 0.0013 -0.0091 0.0058 4000 THR 44 CB -0.0012 -0.0083 0.0036 4001 THR 44 OG1 -0.0003 -0.0078 0.0036 4002 THR 44 CG2 -0.0017 -0.0074 0.0024 4003 LYS 45 N -0.0011 -0.0075 0.0068 4004 LYS 45 CA -0.0012 -0.0076 0.0062 4005 LYS 45 C -0.0009 -0.0078 0.0055 4006 LYS 45 O -0.0002 -0.0081 0.0054 4007 LYS 45 CB -0.0009 -0.0077 0.0063 4008 LYS 45 CG -0.0012 -0.0077 0.0056 4009 LYS 45 CD -0.0010 -0.0077 0.0058 4010 LYS 45 CE -0.0013 -0.0077 0.0052 4011 LYS 45 NZ -0.0011 -0.0077 0.0054 4012 GLU 46 N -0.0013 -0.0077 0.0050 4013 GLU 46 CA -0.0010 -0.0079 0.0045 4014 GLU 46 C -0.0014 -0.0078 0.0037 4015 GLU 46 O -0.0021 -0.0076 0.0037 4016 GLU 46 CB -0.0009 -0.0079 0.0049 4017 GLU 46 CG -0.0016 -0.0075 0.0053 4018 GLU 46 CD -0.0014 -0.0075 0.0058 4019 GLU 46 OE1 -0.0008 -0.0078 0.0058 4020 GLU 46 OE2 -0.0019 -0.0073 0.0061 4021 GLY 47 N -0.0011 -0.0081 0.0031 4022 GLY 47 CA -0.0015 -0.0081 0.0024 4023 GLY 47 C -0.0018 -0.0079 0.0022 4024 GLY 47 O -0.0024 -0.0077 0.0018 4025 VAL 48 N -0.0014 -0.0081 0.0024 4026 VAL 48 CA -0.0017 -0.0079 0.0024 4027 VAL 48 C -0.0013 -0.0082 0.0019 4028 VAL 48 O -0.0006 -0.0085 0.0019 4029 VAL 48 CB -0.0017 -0.0078 0.0032 4030 VAL 48 CG1 -0.0019 -0.0077 0.0033 4031 VAL 48 CG2 -0.0021 -0.0076 0.0038 4032 VAL 49 N 0.0005 -0.0041 -0.0001 4033 VAL 49 CA 0.0011 -0.0047 -0.0007 4034 VAL 49 C 0.0011 -0.0046 -0.0005 4035 VAL 49 O 0.0004 -0.0043 -0.0005 4036 VAL 49 CB 0.0006 -0.0051 -0.0017 4037 VAL 49 CG1 0.0011 -0.0057 -0.0023 4038 VAL 49 CG2 0.0008 -0.0053 -0.0019 4039 HIS 50 N 0.0020 -0.0048 -0.0003 4040 HIS 50 CA 0.0020 -0.0047 -0.0001 4041 HIS 50 C 0.0028 -0.0052 -0.0004 4042 HIS 50 O 0.0037 -0.0055 -0.0002 4043 HIS 50 CB 0.0020 -0.0041 0.0008 4044 HIS 50 CG 0.0028 -0.0040 0.0015 4045 HIS 50 ND1 0.0036 -0.0042 0.0018 4046 HIS 50 CD2 0.0030 -0.0038 0.0020 4047 HIS 50 CE1 0.0042 -0.0041 0.0024 4048 HIS 50 NE2 0.0039 -0.0038 0.0026 4049 GLY 51 N 0.0026 -0.0054 -0.0008 4050 GLY 51 CA 0.0034 -0.0059 -0.0011 4051 GLY 51 C 0.0036 -0.0065 -0.0020 4052 GLY 51 O 0.0044 -0.0069 -0.0020 4053 VAL 52 N 0.0029 -0.0067 -0.0027 4054 VAL 52 CA 0.0030 -0.0073 -0.0036 4055 VAL 52 C 0.0028 -0.0076 -0.0043 4056 VAL 52 O 0.0021 -0.0073 -0.0043 4057 VAL 52 CB 0.0023 -0.0072 -0.0039 4058 VAL 52 CG1 0.0024 -0.0078 -0.0049 4059 VAL 52 CG2 0.0026 -0.0069 -0.0033 4060 ALA 53 N 0.0081 -0.0108 -0.0046 4061 ALA 53 CA 0.0079 -0.0094 -0.0038 4062 ALA 53 C 0.0085 -0.0088 -0.0039 4063 ALA 53 O 0.0083 -0.0096 -0.0041 4064 ALA 53 CB 0.0064 -0.0093 -0.0029 4065 THR 54 N 0.0091 -0.0074 -0.0037 4066 THR 54 CA 0.0099 -0.0068 -0.0039 4067 THR 54 C 0.0098 -0.0052 -0.0032 4068 THR 54 O 0.0102 -0.0044 -0.0030 4069 THR 54 CB 0.0113 -0.0070 -0.0049 4070 THR 54 OG1 0.0113 -0.0085 -0.0055 4071 THR 54 CG2 0.0121 -0.0064 -0.0050 4072 VAL 55 N 0.0094 -0.0047 -0.0027 4073 VAL 55 CA 0.0094 -0.0032 -0.0020 4074 VAL 55 C 0.0102 -0.0028 -0.0023 4075 VAL 55 O 0.0099 -0.0035 -0.0025 4076 VAL 55 CB 0.0080 -0.0030 -0.0010 4077 VAL 55 CG1 0.0080 -0.0014 -0.0003 4078 VAL 55 CG2 0.0072 -0.0033 -0.0007 4079 ALA 56 N 0.0112 -0.0016 -0.0024 4080 ALA 56 CA 0.0120 -0.0011 -0.0026 4081 ALA 56 C 0.0120 0.0006 -0.0019 4082 ALA 56 O 0.0126 0.0014 -0.0019 4083 ALA 56 CB 0.0134 -0.0013 -0.0036 4084 GLU 57 N 0.0141 0.0012 -0.0005 4085 GLU 57 CA 0.0140 0.0013 -0.0008 4086 GLU 57 C 0.0141 0.0012 -0.0013 4087 GLU 57 O 0.0144 0.0009 -0.0014 4088 GLU 57 CB 0.0141 0.0012 -0.0007 4089 GLU 57 CG 0.0140 0.0013 -0.0003 4090 GLU 57 CD 0.0141 0.0012 -0.0002 4091 GLU 57 OE1 0.0144 0.0010 -0.0004 4092 GLU 57 OE2 0.0140 0.0013 0.0001 4093 LYS 58 N 0.0139 0.0014 -0.0016 4094 LYS 58 CA 0.0139 0.0013 -0.0020 4095 LYS 58 C 0.0138 0.0014 -0.0023 4096 LYS 58 O 0.0135 0.0017 -0.0024 4097 LYS 58 CB 0.0138 0.0014 -0.0020 4098 LYS 58 CG 0.0140 0.0012 -0.0017 4099 LYS 58 CD 0.0140 0.0013 -0.0017 4100 LYS 58 CE 0.0142 0.0011 -0.0014 4101 LYS 58 NZ 0.0141 0.0012 -0.0015 4102 THR 59 N 0.0139 0.0012 -0.0026 4103 THR 59 CA 0.0138 0.0014 -0.0029 4104 THR 59 C 0.0137 0.0015 -0.0033 4105 THR 59 O 0.0134 0.0017 -0.0035 4106 THR 59 CB 0.0140 0.0011 -0.0031 4107 THR 59 OG1 0.0142 0.0010 -0.0027 4108 THR 59 CG2 0.0139 0.0013 -0.0034 4109 LYS 60 N 0.0138 0.0013 -0.0034 4110 LYS 60 CA 0.0137 0.0014 -0.0037 4111 LYS 60 C 0.0138 0.0013 -0.0036 4112 LYS 60 O 0.0141 0.0011 -0.0036 4113 LYS 60 CB 0.0138 0.0013 -0.0041 4114 LYS 60 CG 0.0136 0.0014 -0.0045 4115 LYS 60 CD 0.0137 0.0013 -0.0049 4116 LYS 60 CE 0.0135 0.0014 -0.0053 4117 LYS 60 NZ 0.0136 0.0013 -0.0057 4118 GLU 61 N 0.0130 0.0029 -0.0043 4119 GLU 61 CA 0.0126 0.0037 -0.0035 4120 GLU 61 C 0.0115 0.0033 -0.0033 4121 GLU 61 O 0.0109 0.0030 -0.0032 4122 GLU 61 CB 0.0128 0.0043 -0.0031 4123 GLU 61 CG 0.0124 0.0051 -0.0023 4124 GLU 61 CD 0.0125 0.0057 -0.0018 4125 GLU 61 OE1 0.0129 0.0056 -0.0021 4126 GLU 61 OE2 0.0123 0.0064 -0.0011 4127 GLN 62 N 0.0113 0.0034 -0.0031 4128 GLN 62 CA 0.0103 0.0031 -0.0028 4129 GLN 62 C 0.0099 0.0038 -0.0021 4130 GLN 62 O 0.0104 0.0042 -0.0020 4131 GLN 62 CB 0.0103 0.0024 -0.0034 4132 GLN 62 CG 0.0092 0.0019 -0.0033 4133 GLN 62 CD 0.0092 0.0012 -0.0039 4134 GLN 62 OE1 0.0100 0.0010 -0.0044 4135 GLN 62 NE2 0.0084 0.0007 -0.0038 4136 VAL 63 N 0.0091 0.0039 -0.0015 4137 VAL 63 CA 0.0087 0.0046 -0.0008 4138 VAL 63 C 0.0076 0.0042 -0.0006 4139 VAL 63 O 0.0070 0.0040 -0.0004 4140 VAL 63 CB 0.0088 0.0054 -0.0002 4141 VAL 63 CG1 0.0084 0.0060 0.0006 4142 VAL 63 CG2 0.0099 0.0058 -0.0004 4143 THR 64 N 0.0074 0.0039 -0.0006 4144 THR 64 CA 0.0064 0.0035 -0.0005 4145 THR 64 C 0.0060 0.0040 0.0001 4146 THR 64 O 0.0064 0.0040 -0.0001 4147 THR 64 CB 0.0063 0.0026 -0.0012 4148 THR 64 OG1 0.0067 0.0026 -0.0014 4149 THR 64 CG2 0.0067 0.0021 -0.0018 4150 ASN 65 N 0.0017 0.0045 0.0016 4151 ASN 65 CA 0.0019 0.0049 0.0024 4152 ASN 65 C 0.0020 0.0045 0.0032 4153 ASN 65 O 0.0018 0.0038 0.0032 4154 ASN 65 CB 0.0019 0.0051 0.0025 4155 ASN 65 CG 0.0018 0.0042 0.0027 4156 ASN 65 OD1 0.0018 0.0036 0.0031 4157 ASN 65 ND2 0.0018 0.0043 0.0025 4158 VAL 66 N 0.0022 0.0049 0.0039 4159 VAL 66 CA 0.0022 0.0045 0.0047 4160 VAL 66 C 0.0024 0.0047 0.0054 4161 VAL 66 O 0.0025 0.0054 0.0053 4162 VAL 66 CB 0.0023 0.0048 0.0051 4163 VAL 66 CG1 0.0022 0.0047 0.0044 4164 VAL 66 CG2 0.0026 0.0056 0.0056 4165 GLY 67 N 0.0023 0.0041 0.0059 4166 GLY 67 CA 0.0025 0.0042 0.0065 4167 GLY 67 C 0.0024 0.0044 0.0062 4168 GLY 67 O 0.0026 0.0045 0.0068 4169 GLY 68 N 0.0023 0.0045 0.0054 4170 GLY 68 CA 0.0023 0.0048 0.0051 4171 GLY 68 C 0.0021 0.0043 0.0044 4172 GLY 68 O 0.0019 0.0036 0.0041 4173 ALA 69 N 0.0012 0.0027 0.0024 4174 ALA 69 CA 0.0015 0.0024 0.0016 4175 ALA 69 C 0.0019 0.0031 0.0006 4176 ALA 69 O 0.0019 0.0041 0.0007 4177 ALA 69 CB 0.0013 0.0025 0.0021 4178 VAL 70 N 0.0022 0.0025 -0.0003 4179 VAL 70 CA 0.0026 0.0031 -0.0013 4180 VAL 70 C 0.0029 0.0028 -0.0020 4181 VAL 70 O 0.0029 0.0018 -0.0022 4182 VAL 70 CB 0.0027 0.0028 -0.0017 4183 VAL 70 CG1 0.0032 0.0033 -0.0027 4184 VAL 70 CG2 0.0025 0.0032 -0.0010 4185 VAL 71 N 0.0031 0.0036 -0.0025 4186 VAL 71 CA 0.0034 0.0035 -0.0034 4187 VAL 71 C 0.0038 0.0038 -0.0044 4188 VAL 71 O 0.0039 0.0048 -0.0045 4189 VAL 71 CB 0.0034 0.0042 -0.0032 4190 VAL 71 CG1 0.0037 0.0041 -0.0041 4191 VAL 71 CG2 0.0030 0.0038 -0.0022 4192 THR 72 N 0.0041 0.0031 -0.0052 4193 THR 72 CA 0.0045 0.0033 -0.0062 4194 THR 72 C 0.0048 0.0032 -0.0071 4195 THR 72 O 0.0048 0.0022 -0.0073 4196 THR 72 CB 0.0045 0.0026 -0.0064 4197 THR 72 OG1 0.0044 0.0014 -0.0065 4198 THR 72 CG2 0.0042 0.0027 -0.0056 4199 GLY 73 N 0.0025 -0.0002 -0.0091 4200 GLY 73 CA 0.0017 -0.0003 -0.0086 4201 GLY 73 C 0.0011 -0.0006 -0.0080 4202 GLY 73 O 0.0003 -0.0002 -0.0079 4203 VAL 74 N 0.0014 -0.0013 -0.0075 4204 VAL 74 CA 0.0009 -0.0016 -0.0069 4205 VAL 74 C 0.0005 -0.0020 -0.0063 4206 VAL 74 O 0.0009 -0.0023 -0.0063 4207 VAL 74 CB 0.0014 -0.0021 -0.0068 4208 VAL 74 CG1 0.0019 -0.0017 -0.0074 4209 VAL 74 CG2 0.0019 -0.0029 -0.0064 4210 THR 75 N -0.0003 -0.0021 -0.0058 4211 THR 75 CA -0.0008 -0.0024 -0.0052 4212 THR 75 C -0.0013 -0.0029 -0.0045 4213 THR 75 O -0.0016 -0.0026 -0.0045 4214 THR 75 CB -0.0014 -0.0018 -0.0053 4215 THR 75 OG1 -0.0009 -0.0014 -0.0060 4216 THR 75 CG2 -0.0019 -0.0021 -0.0048 4217 ALA 76 N -0.0012 -0.0035 -0.0039 4218 ALA 76 CA -0.0017 -0.0040 -0.0032 4219 ALA 76 C -0.0015 -0.0042 -0.0031 4220 ALA 76 O -0.0021 -0.0041 -0.0028 4221 ALA 76 CB -0.0027 -0.0036 -0.0029 4222 VAL 77 N -0.0040 -0.0054 -0.0027 4223 VAL 77 CA -0.0043 -0.0054 -0.0023 4224 VAL 77 C -0.0040 -0.0053 -0.0018 4225 VAL 77 O -0.0035 -0.0052 -0.0017 4226 VAL 77 CB -0.0043 -0.0054 -0.0026 4227 VAL 77 CG1 -0.0046 -0.0054 -0.0023 4228 VAL 77 CG2 -0.0045 -0.0055 -0.0032 4229 ALA 78 N -0.0044 -0.0053 -0.0013 4230 ALA 78 CA -0.0042 -0.0052 -0.0008 4231 ALA 78 C -0.0046 -0.0052 -0.0004 4232 ALA 78 O -0.0050 -0.0052 -0.0002 4233 ALA 78 CB -0.0041 -0.0051 -0.0006 4234 GLN 79 N -0.0044 -0.0051 -0.0001 4235 GLN 79 CA -0.0048 -0.0051 0.0003 4236 GLN 79 C -0.0045 -0.0050 0.0008 4237 GLN 79 O -0.0040 -0.0049 0.0009 4238 GLN 79 CB -0.0049 -0.0051 0.0001 4239 GLN 79 CG -0.0045 -0.0051 0.0001 4240 GLN 79 CD -0.0046 -0.0051 -0.0001 4241 GLN 79 OE1 -0.0051 -0.0052 -0.0002 4242 GLN 79 NE2 -0.0043 -0.0051 -0.0001 4243 LYS 80 N -0.0048 -0.0050 0.0013 4244 LYS 80 CA -0.0046 -0.0049 0.0018 4245 LYS 80 C -0.0049 -0.0049 0.0020 4246 LYS 80 O -0.0054 -0.0050 0.0018 4247 LYS 80 CB -0.0047 -0.0048 0.0022 4248 LYS 80 CG -0.0044 -0.0047 0.0027 4249 LYS 80 CD -0.0044 -0.0047 0.0032 4250 LYS 80 CE -0.0041 -0.0046 0.0037 4251 LYS 80 NZ -0.0042 -0.0045 0.0041 4252 THR 81 N -0.0090 -0.0038 0.0026 4253 THR 81 CA -0.0085 -0.0036 0.0013 4254 THR 81 C -0.0096 -0.0036 -0.0013 4255 THR 81 O -0.0117 -0.0041 -0.0016 4256 THR 81 CB -0.0096 -0.0040 0.0027 4257 THR 81 OG1 -0.0085 -0.0040 0.0051 4258 THR 81 CG2 -0.0090 -0.0037 0.0014 4259 VAL 82 N -0.0081 -0.0030 -0.0031 4260 VAL 82 CA -0.0088 -0.0029 -0.0056 4261 VAL 82 C -0.0087 -0.0028 -0.0063 4262 VAL 82 O -0.0068 -0.0023 -0.0061 4263 VAL 82 CB -0.0073 -0.0023 -0.0073 4264 VAL 82 CG1 -0.0081 -0.0022 -0.0100 4265 VAL 82 CG2 -0.0076 -0.0025 -0.0068 4266 GLU 83 N -0.0108 -0.0032 -0.0070 4267 GLU 83 CA -0.0110 -0.0032 -0.0078 4268 GLU 83 C -0.0102 -0.0032 -0.0057 4269 GLU 83 O -0.0085 -0.0028 -0.0060 4270 GLU 83 CB -0.0098 -0.0026 -0.0102 4271 GLU 83 CG -0.0108 -0.0027 -0.0123 4272 GLU 83 CD -0.0096 -0.0021 -0.0147 4273 GLU 83 OE1 -0.0078 -0.0016 -0.0146 4274 GLU 83 OE2 -0.0104 -0.0021 -0.0167 4275 GLY 84 N -0.0115 -0.0038 -0.0037 4276 GLY 84 CA -0.0111 -0.0039 -0.0017 4277 GLY 84 C -0.0128 -0.0046 0.0003 4278 GLY 84 O -0.0142 -0.0049 0.0002 4279 ALA 85 N -0.0111 -0.0020 0.0009 4280 ALA 85 CA -0.0107 -0.0029 0.0006 4281 ALA 85 C -0.0105 -0.0032 0.0006 4282 ALA 85 O -0.0110 -0.0030 0.0004 4283 ALA 85 CB -0.0113 -0.0033 0.0000 4284 GLY 86 N -0.0098 -0.0037 0.0008 4285 GLY 86 CA -0.0095 -0.0041 0.0007 4286 GLY 86 C -0.0092 -0.0050 0.0004 4287 GLY 86 O -0.0085 -0.0053 0.0006 4288 SER 87 N -0.0096 -0.0055 -0.0001 4289 SER 87 CA -0.0093 -0.0063 -0.0005 4290 SER 87 C -0.0091 -0.0066 -0.0005 4291 SER 87 O -0.0096 -0.0065 -0.0008 4292 SER 87 CB -0.0099 -0.0068 -0.0011 4293 SER 87 OG -0.0101 -0.0066 -0.0012 4294 ILE 88 N -0.0083 -0.0068 -0.0001 4295 ILE 88 CA -0.0080 -0.0069 0.0000 4296 ILE 88 C -0.0081 -0.0076 -0.0005 4297 ILE 88 O -0.0086 -0.0075 -0.0007 4298 ILE 88 CB -0.0071 -0.0069 0.0006 4299 ILE 88 CG1 -0.0070 -0.0060 0.0012 4300 ILE 88 CG2 -0.0068 -0.0072 0.0007 4301 ILE 88 CD1 -0.0062 -0.0060 0.0018 4302 ALA 89 N -0.0044 -0.0005 -0.0016 4303 ALA 89 CA -0.0043 0.0003 -0.0017 4304 ALA 89 C -0.0035 0.0006 -0.0013 4305 ALA 89 O -0.0033 0.0012 -0.0013 4306 ALA 89 CB -0.0048 0.0010 -0.0021 4307 ALA 90 N -0.0030 0.0003 -0.0009 4308 ALA 90 CA -0.0022 0.0005 -0.0005 4309 ALA 90 C -0.0019 0.0011 -0.0004 4310 ALA 90 O -0.0022 0.0010 -0.0006 4311 ALA 90 CB -0.0017 -0.0003 -0.0001 4312 ALA 91 N -0.0013 0.0016 -0.0002 4313 ALA 91 CA -0.0010 0.0022 -0.0001 4314 ALA 91 C -0.0002 0.0024 0.0003 4315 ALA 91 O 0.0000 0.0028 0.0004 4316 ALA 91 CB -0.0014 0.0030 -0.0005 4317 THR 92 N 0.0003 0.0022 0.0007 4318 THR 92 CA 0.0011 0.0024 0.0011 4319 THR 92 C 0.0014 0.0030 0.0012 4320 THR 92 O 0.0012 0.0029 0.0010 4321 THR 92 CB 0.0016 0.0016 0.0014 4322 THR 92 OG1 0.0015 0.0012 0.0015 4323 THR 92 CG2 0.0012 0.0010 0.0014 4324 GLY 93 N -0.0015 0.0020 0.0021 4325 GLY 93 CA -0.0017 0.0016 0.0023 4326 GLY 93 C -0.0020 0.0014 0.0029 4327 GLY 93 O -0.0022 0.0009 0.0031 4328 PHE 94 N -0.0022 0.0019 0.0032 4329 PHE 94 CA -0.0026 0.0019 0.0037 4330 PHE 94 C -0.0026 0.0023 0.0038 4331 PHE 94 O -0.0025 0.0029 0.0036 4332 PHE 94 CB -0.0028 0.0020 0.0041 4333 PHE 94 CG -0.0029 0.0016 0.0041 4334 PHE 94 CD1 -0.0031 0.0011 0.0045 4335 PHE 94 CD2 -0.0027 0.0016 0.0038 4336 PHE 94 CE1 -0.0032 0.0006 0.0045 4337 PHE 94 CE2 -0.0027 0.0012 0.0039 4338 PHE 94 CZ -0.0029 0.0007 0.0042 4339 VAL 95 N -0.0028 0.0021 0.0040 4340 VAL 95 CA -0.0029 0.0025 0.0042 4341 VAL 95 C -0.0033 0.0023 0.0048 4342 VAL 95 O -0.0034 0.0018 0.0049 4343 VAL 95 CB -0.0027 0.0024 0.0039 4344 VAL 95 CG1 -0.0028 0.0027 0.0041 4345 VAL 95 CG2 -0.0023 0.0026 0.0033 4346 LYS 96 N -0.0035 0.0028 0.0051 4347 LYS 96 CA -0.0039 0.0027 0.0057 4348 LYS 96 C -0.0040 0.0031 0.0059 4349 LYS 96 O -0.0038 0.0035 0.0056 4350 LYS 96 CB -0.0041 0.0028 0.0060 4351 LYS 96 CG -0.0040 0.0024 0.0059 4352 LYS 96 CD -0.0042 0.0018 0.0061 4353 LYS 96 CE -0.0042 0.0013 0.0060 4354 LYS 96 NZ -0.0044 0.0015 0.0063 4355 LYS 97 N -0.0092 -0.0020 0.0024 4356 LYS 97 CA -0.0087 -0.0030 0.0015 4357 LYS 97 C -0.0075 -0.0029 0.0010 4358 LYS 97 O -0.0068 -0.0019 0.0012 4359 LYS 97 CB -0.0084 -0.0030 0.0014 4360 LYS 97 CG -0.0080 -0.0041 0.0005 4361 LYS 97 CD -0.0091 -0.0052 0.0003 4362 LYS 97 CE -0.0086 -0.0063 -0.0005 4363 LYS 97 NZ -0.0083 -0.0063 -0.0006 4364 ASP 98 N -0.0073 -0.0039 0.0003 4365 ASP 98 CA -0.0062 -0.0040 -0.0003 4366 ASP 98 C -0.0058 -0.0051 -0.0012 4367 ASP 98 O -0.0064 -0.0057 -0.0012 4368 ASP 98 CB -0.0064 -0.0041 -0.0003 4369 ASP 98 CG -0.0052 -0.0038 -0.0007 4370 ASP 98 OD1 -0.0042 -0.0036 -0.0010 4371 ASP 98 OD2 -0.0053 -0.0038 -0.0006 4372 GLN 99 N -0.0048 -0.0054 -0.0018 4373 GLN 99 CA -0.0043 -0.0064 -0.0026 4374 GLN 99 C -0.0052 -0.0075 -0.0029 4375 GLN 99 O -0.0056 -0.0083 -0.0032 4376 GLN 99 CB -0.0031 -0.0063 -0.0032 4377 GLN 99 CG -0.0025 -0.0073 -0.0041 4378 GLN 99 CD -0.0013 -0.0073 -0.0047 4379 GLN 99 OE1 -0.0008 -0.0065 -0.0044 4380 GLN 99 NE2 -0.0007 -0.0081 -0.0055 4381 VAL 37 N -0.0079 0.0003 0.0089 4382 VAL 37 CA -0.0060 0.0008 0.0073 4383 VAL 37 C -0.0044 0.0012 0.0068 4384 VAL 37 O -0.0023 0.0017 0.0063 4385 VAL 37 CB -0.0047 0.0012 0.0085 4386 VAL 37 CG1 -0.0062 0.0008 0.0082 4387 VAL 37 CG2 -0.0044 0.0014 0.0112 4388 LEU 38 N -0.0055 0.0009 0.0070 4389 LEU 38 CA -0.0042 0.0012 0.0066 4390 LEU 38 C -0.0035 0.0013 0.0039 4391 LEU 38 O -0.0014 0.0018 0.0034 4392 LEU 38 CB -0.0058 0.0009 0.0075 4393 LEU 38 CG -0.0058 0.0010 0.0101 4394 LEU 38 CD1 -0.0034 0.0016 0.0108 4395 LEU 38 CD2 -0.0064 0.0009 0.0120 4396 TYR 39 N -0.0052 0.0008 0.0022 4397 TYR 39 CA -0.0048 0.0008 -0.0005 4398 TYR 39 C -0.0038 0.0010 -0.0013 4399 TYR 39 O -0.0018 0.0015 -0.0023 4400 TYR 39 CB -0.0032 0.0012 -0.0014 4401 TYR 39 CG -0.0043 0.0009 -0.0012 4402 TYR 39 CD1 -0.0058 0.0004 -0.0029 4403 TYR 39 CD2 -0.0037 0.0011 0.0007 4404 TYR 39 CE1 -0.0068 0.0001 -0.0028 4405 TYR 39 CE2 -0.0046 0.0009 0.0009 4406 TYR 39 CZ -0.0062 0.0004 -0.0008 4407 TYR 39 OH -0.0072 0.0001 -0.0007 4408 VAL 40 N -0.0053 0.0006 -0.0010 4409 VAL 40 CA -0.0046 0.0008 -0.0018 4410 VAL 40 C -0.0048 0.0006 -0.0046 4411 VAL 40 O -0.0032 0.0010 -0.0058 4412 VAL 40 CB -0.0061 0.0004 -0.0004 4413 VAL 40 CG1 -0.0055 0.0006 -0.0013 4414 VAL 40 CG2 -0.0058 0.0006 0.0024 4415 GLY 41 N -0.0049 0.0015 -0.0038 4416 GLY 41 CA -0.0046 0.0013 -0.0024 4417 GLY 41 C -0.0039 0.0014 -0.0004 4418 GLY 41 O -0.0031 0.0024 0.0006 4419 SER 42 N -0.0042 0.0005 0.0003 4420 SER 42 CA -0.0035 0.0007 0.0021 4421 SER 42 C -0.0032 0.0003 0.0038 4422 SER 42 O -0.0023 0.0013 0.0051 4423 SER 42 CB -0.0040 -0.0004 0.0024 4424 SER 42 OG -0.0034 -0.0001 0.0041 4425 LYS 43 N -0.0039 -0.0011 0.0039 4426 LYS 43 CA -0.0037 -0.0014 0.0052 4427 LYS 43 C -0.0046 -0.0027 0.0045 4428 LYS 43 O -0.0055 -0.0041 0.0042 4429 LYS 43 CB -0.0035 -0.0021 0.0072 4430 LYS 43 CG -0.0031 -0.0023 0.0087 4431 LYS 43 CD -0.0029 -0.0029 0.0107 4432 LYS 43 CE -0.0024 -0.0029 0.0122 4433 LYS 43 NZ -0.0031 -0.0041 0.0119 4434 THR 44 N -0.0044 -0.0021 0.0041 4435 THR 44 CA -0.0052 -0.0032 0.0035 4436 THR 44 C -0.0047 -0.0031 0.0050 4437 THR 44 O -0.0038 -0.0018 0.0058 4438 THR 44 CB -0.0055 -0.0026 0.0015 4439 THR 44 OG1 -0.0046 -0.0009 0.0014 4440 THR 44 CG2 -0.0059 -0.0026 0.0001 4441 LYS 45 N -0.0023 -0.0028 0.0062 4442 LYS 45 CA -0.0023 -0.0023 0.0063 4443 LYS 45 C -0.0021 -0.0030 0.0051 4444 LYS 45 O -0.0020 -0.0042 0.0053 4445 LYS 45 CB -0.0024 -0.0026 0.0077 4446 LYS 45 CG -0.0025 -0.0019 0.0079 4447 LYS 45 CD -0.0027 -0.0020 0.0094 4448 LYS 45 CE -0.0028 -0.0013 0.0095 4449 LYS 45 NZ -0.0029 -0.0013 0.0110 4450 GLU 46 N -0.0021 -0.0023 0.0039 4451 GLU 46 CA -0.0019 -0.0031 0.0027 4452 GLU 46 C -0.0019 -0.0022 0.0018 4453 GLU 46 O -0.0020 -0.0011 0.0014 4454 GLU 46 CB -0.0017 -0.0035 0.0019 4455 GLU 46 CG -0.0018 -0.0024 0.0016 4456 GLU 46 CD -0.0017 -0.0030 0.0010 4457 GLU 46 OE1 -0.0015 -0.0042 0.0009 4458 GLU 46 OE2 -0.0018 -0.0022 0.0007 4459 GLY 47 N -0.0018 -0.0028 0.0016 4460 GLY 47 CA -0.0018 -0.0021 0.0008 4461 GLY 47 C -0.0020 -0.0012 0.0018 4462 GLY 47 O -0.0021 -0.0000 0.0014 4463 VAL 48 N -0.0021 -0.0017 0.0030 4464 VAL 48 CA -0.0023 -0.0009 0.0041 4465 VAL 48 C -0.0022 -0.0015 0.0045 4466 VAL 48 O -0.0021 -0.0027 0.0046 4467 VAL 48 CB -0.0024 -0.0009 0.0054 4468 VAL 48 CG1 -0.0026 -0.0001 0.0066 4469 VAL 48 CG2 -0.0025 -0.0003 0.0050 4470 VAL 49 N 0.0005 0.0008 0.0030 4471 VAL 49 CA 0.0011 0.0002 0.0023 4472 VAL 49 C 0.0008 0.0005 0.0028 4473 VAL 49 O -0.0002 0.0011 0.0028 4474 VAL 49 CB 0.0007 -0.0001 0.0008 4475 VAL 49 CG1 0.0011 -0.0006 0.0002 4476 VAL 49 CG2 0.0011 -0.0005 0.0003 4477 HIS 50 N 0.0018 0.0002 0.0032 4478 HIS 50 CA 0.0015 0.0005 0.0037 4479 HIS 50 C 0.0024 -0.0002 0.0035 4480 HIS 50 O 0.0035 -0.0007 0.0037 4481 HIS 50 CB 0.0013 0.0011 0.0051 4482 HIS 50 CG 0.0024 0.0008 0.0061 4483 HIS 50 ND1 0.0031 0.0006 0.0066 4484 HIS 50 CD2 0.0027 0.0008 0.0066 4485 HIS 50 CE1 0.0039 0.0004 0.0075 4486 HIS 50 NE2 0.0037 0.0005 0.0075 4487 GLY 51 N 0.0020 -0.0001 0.0030 4488 GLY 51 CA 0.0028 -0.0006 0.0028 4489 GLY 51 C 0.0032 -0.0014 0.0015 4490 GLY 51 O 0.0043 -0.0020 0.0015 4491 VAL 52 N 0.0025 -0.0013 0.0004 4492 VAL 52 CA 0.0028 -0.0019 -0.0009 4493 VAL 52 C 0.0024 -0.0020 -0.0016 4494 VAL 52 O 0.0014 -0.0014 -0.0017 4495 VAL 52 CB 0.0022 -0.0018 -0.0016 4496 VAL 52 CG1 0.0024 -0.0024 -0.0029 4497 VAL 52 CG2 0.0026 -0.0018 -0.0008 4498 ALA 53 N 0.0080 -0.0048 -0.0025 4499 ALA 53 CA 0.0077 -0.0036 -0.0021 4500 ALA 53 C 0.0083 -0.0032 -0.0025 4501 ALA 53 O 0.0084 -0.0039 -0.0027 4502 ALA 53 CB 0.0066 -0.0035 -0.0013 4503 THR 54 N 0.0087 -0.0020 -0.0026 4504 THR 54 CA 0.0094 -0.0015 -0.0030 4505 THR 54 C 0.0092 -0.0002 -0.0027 4506 THR 54 O 0.0093 0.0006 -0.0026 4507 THR 54 CB 0.0105 -0.0016 -0.0039 4508 THR 54 OG1 0.0106 -0.0029 -0.0042 4509 THR 54 CG2 0.0112 -0.0011 -0.0043 4510 VAL 55 N 0.0090 0.0001 -0.0025 4511 VAL 55 CA 0.0089 0.0014 -0.0022 4512 VAL 55 C 0.0097 0.0017 -0.0027 4513 VAL 55 O 0.0097 0.0010 -0.0028 4514 VAL 55 CB 0.0078 0.0016 -0.0013 4515 VAL 55 CG1 0.0078 0.0028 -0.0010 4516 VAL 55 CG2 0.0071 0.0013 -0.0008 4517 ALA 56 N 0.0103 0.0028 -0.0030 4518 ALA 56 CA 0.0110 0.0032 -0.0035 4519 ALA 56 C 0.0109 0.0045 -0.0031 4520 ALA 56 O 0.0112 0.0054 -0.0032 4521 ALA 56 CB 0.0121 0.0030 -0.0043 4522 GLU 57 N 0.0126 0.0030 -0.0009 4523 GLU 57 CA 0.0121 0.0024 -0.0030 4524 GLU 57 C 0.0124 0.0019 -0.0044 4525 GLU 57 O 0.0141 0.0015 -0.0048 4526 GLU 57 CB 0.0136 0.0020 -0.0035 4527 GLU 57 CG 0.0132 0.0024 -0.0023 4528 GLU 57 CD 0.0147 0.0020 -0.0029 4529 GLU 57 OE1 0.0161 0.0014 -0.0041 4530 GLU 57 OE2 0.0144 0.0023 -0.0022 4531 LYS 58 N 0.0106 0.0019 -0.0053 4532 LYS 58 CA 0.0105 0.0015 -0.0065 4533 LYS 58 C 0.0094 0.0010 -0.0086 4534 LYS 58 O 0.0075 0.0013 -0.0087 4535 LYS 58 CB 0.0095 0.0020 -0.0054 4536 LYS 58 CG 0.0107 0.0024 -0.0036 4537 LYS 58 CD 0.0097 0.0029 -0.0026 4538 LYS 58 CE 0.0110 0.0033 -0.0007 4539 LYS 58 NZ 0.0100 0.0038 0.0003 4540 THR 59 N 0.0106 0.0003 -0.0102 4541 THR 59 CA 0.0096 -0.0002 -0.0122 4542 THR 59 C 0.0082 -0.0003 -0.0131 4543 THR 59 O 0.0066 -0.0003 -0.0141 4544 THR 59 CB 0.0114 -0.0009 -0.0137 4545 THR 59 OG1 0.0127 -0.0009 -0.0128 4546 THR 59 CG2 0.0105 -0.0015 -0.0157 4547 LYS 60 N 0.0087 -0.0002 -0.0126 4548 LYS 60 CA 0.0073 -0.0002 -0.0132 4549 LYS 60 C 0.0077 0.0003 -0.0118 4550 LYS 60 O 0.0094 0.0001 -0.0115 4551 LYS 60 CB 0.0078 -0.0010 -0.0154 4552 LYS 60 CG 0.0062 -0.0010 -0.0163 4553 LYS 60 CD 0.0066 -0.0018 -0.0185 4554 LYS 60 CE 0.0050 -0.0018 -0.0194 4555 LYS 60 NZ 0.0054 -0.0026 -0.0216 4556 GLU 61 N 0.0058 0.0009 -0.0108 4557 GLU 61 CA 0.0058 0.0017 -0.0084 4558 GLU 61 C 0.0038 0.0013 -0.0084 4559 GLU 61 O 0.0015 0.0008 -0.0084 4560 GLU 61 CB 0.0054 0.0024 -0.0062 4561 GLU 61 CG 0.0054 0.0032 -0.0038 4562 GLU 61 CD 0.0051 0.0039 -0.0016 4563 GLU 61 OE1 0.0049 0.0037 -0.0020 4564 GLU 61 OE2 0.0051 0.0047 0.0005 4565 GLN 62 N 0.0045 0.0014 -0.0084 4566 GLN 62 CA 0.0027 0.0010 -0.0086 4567 GLN 62 C 0.0031 0.0018 -0.0064 4568 GLN 62 O 0.0051 0.0023 -0.0062 4569 GLN 62 CB 0.0032 0.0002 -0.0110 4570 GLN 62 CG 0.0014 -0.0003 -0.0114 4571 GLN 62 CD 0.0018 -0.0011 -0.0140 4572 GLN 62 OE1 0.0036 -0.0012 -0.0154 4573 GLN 62 NE2 0.0003 -0.0016 -0.0145 4574 VAL 63 N 0.0010 0.0019 -0.0048 4575 VAL 63 CA 0.0010 0.0026 -0.0027 4576 VAL 63 C -0.0012 0.0021 -0.0029 4577 VAL 63 O -0.0034 0.0018 -0.0023 4578 VAL 63 CB 0.0008 0.0034 -0.0003 4579 VAL 63 CG1 0.0007 0.0042 0.0019 4580 VAL 63 CG2 0.0030 0.0040 -0.0001 4581 THR 64 N -0.0007 0.0019 -0.0039 4582 THR 64 CA -0.0026 0.0013 -0.0042 4583 THR 64 C -0.0020 0.0019 -0.0029 4584 THR 64 O -0.0002 0.0020 -0.0038 4585 THR 64 CB -0.0029 0.0003 -0.0069 4586 THR 64 OG1 -0.0007 0.0005 -0.0079 4587 THR 64 CG2 -0.0031 -0.0002 -0.0084 4588 ASN 65 N -0.0031 0.0013 -0.0004 4589 ASN 65 CA -0.0024 0.0020 0.0012 4590 ASN 65 C -0.0027 0.0012 0.0023 4591 ASN 65 O -0.0036 0.0000 0.0021 4592 ASN 65 CB -0.0021 0.0022 0.0021 4593 ASN 65 CG -0.0029 0.0009 0.0031 4594 ASN 65 OD1 -0.0035 -0.0002 0.0036 4595 ASN 65 ND2 -0.0028 0.0010 0.0033 4596 VAL 66 N -0.0021 0.0020 0.0035 4597 VAL 66 CA -0.0023 0.0013 0.0049 4598 VAL 66 C -0.0018 0.0017 0.0065 4599 VAL 66 O -0.0010 0.0028 0.0067 4600 VAL 66 CB -0.0021 0.0016 0.0048 4601 VAL 66 CG1 -0.0024 0.0016 0.0030 4602 VAL 66 CG2 -0.0011 0.0030 0.0056 4603 GLY 67 N -0.0024 0.0006 0.0078 4604 GLY 67 CA -0.0020 0.0008 0.0095 4605 GLY 67 C -0.0017 0.0012 0.0096 4606 GLY 67 O -0.0014 0.0013 0.0110 4607 GLY 68 N -0.0018 0.0013 0.0082 4608 GLY 68 CA -0.0014 0.0019 0.0082 4609 GLY 68 C -0.0022 0.0009 0.0073 4610 GLY 68 O -0.0030 -0.0001 0.0067 4611 ALA 69 N -0.0018 0.0013 0.0048 4612 ALA 69 CA -0.0017 0.0009 0.0041 4613 ALA 69 C -0.0010 0.0017 0.0030 4614 ALA 69 O -0.0006 0.0030 0.0032 4615 ALA 69 CB -0.0020 0.0010 0.0051 4616 VAL 70 N -0.0008 0.0011 0.0017 4617 VAL 70 CA -0.0001 0.0018 0.0005 4618 VAL 70 C 0.0001 0.0014 -0.0002 4619 VAL 70 O -0.0003 0.0002 -0.0004 4620 VAL 70 CB 0.0001 0.0015 -0.0004 4621 VAL 70 CG1 0.0008 0.0021 -0.0017 4622 VAL 70 CG2 0.0001 0.0020 0.0003 4623 VAL 71 N 0.0005 0.0024 -0.0006 4624 VAL 71 CA 0.0008 0.0022 -0.0014 4625 VAL 71 C 0.0014 0.0027 -0.0028 4626 VAL 71 O 0.0018 0.0038 -0.0029 4627 VAL 71 CB 0.0008 0.0030 -0.0007 4628 VAL 71 CG1 0.0011 0.0029 -0.0017 4629 VAL 71 CG2 0.0002 0.0025 0.0006 4630 THR 72 N 0.0015 0.0018 -0.0038 4631 THR 72 CA 0.0021 0.0021 -0.0052 4632 THR 72 C 0.0023 0.0019 -0.0061 4633 THR 72 O 0.0020 0.0008 -0.0063 4634 THR 72 CB 0.0020 0.0012 -0.0059 4635 THR 72 OG1 0.0016 -0.0002 -0.0060 4636 THR 72 CG2 0.0018 0.0014 -0.0051 4637 GLY 73 N 0.0024 0.0014 -0.0077 4638 GLY 73 CA 0.0025 0.0015 -0.0068 4639 GLY 73 C 0.0021 0.0021 -0.0061 4640 GLY 73 O 0.0016 0.0026 -0.0058 4641 VAL 74 N 0.0022 0.0021 -0.0057 4642 VAL 74 CA 0.0019 0.0027 -0.0049 4643 VAL 74 C 0.0023 0.0024 -0.0039 4644 VAL 74 O 0.0029 0.0018 -0.0039 4645 VAL 74 CB 0.0017 0.0028 -0.0049 4646 VAL 74 CG1 0.0014 0.0029 -0.0059 4647 VAL 74 CG2 0.0023 0.0023 -0.0045 4648 THR 75 N 0.0020 0.0029 -0.0032 4649 THR 75 CA 0.0024 0.0027 -0.0023 4650 THR 75 C 0.0021 0.0033 -0.0015 4651 THR 75 O 0.0014 0.0039 -0.0015 4652 THR 75 CB 0.0024 0.0028 -0.0023 4653 THR 75 OG1 0.0026 0.0023 -0.0031 4654 THR 75 CG2 0.0028 0.0026 -0.0014 4655 ALA 76 N 0.0025 0.0030 -0.0007 4656 ALA 76 CA 0.0023 0.0034 0.0002 4657 ALA 76 C 0.0018 0.0039 0.0001 4658 ALA 76 O 0.0013 0.0045 0.0005 4659 ALA 76 CB 0.0020 0.0038 0.0007 4660 VAL 77 N -0.0003 0.0045 0.0005 4661 VAL 77 CA -0.0000 0.0045 0.0001 4662 VAL 77 C -0.0000 0.0040 0.0000 4663 VAL 77 O -0.0001 0.0037 0.0000 4664 VAL 77 CB 0.0003 0.0046 -0.0001 4665 VAL 77 CG1 0.0006 0.0046 -0.0005 4666 VAL 77 CG2 0.0003 0.0050 -0.0000 4667 ALA 78 N 0.0001 0.0040 -0.0001 4668 ALA 78 CA 0.0000 0.0036 -0.0002 4669 ALA 78 C 0.0003 0.0036 -0.0004 4670 ALA 78 O 0.0002 0.0038 -0.0003 4671 ALA 78 CB -0.0003 0.0034 0.0002 4672 GLN 79 N 0.0005 0.0033 -0.0007 4673 GLN 79 CA 0.0007 0.0033 -0.0010 4674 GLN 79 C 0.0007 0.0029 -0.0011 4675 GLN 79 O 0.0006 0.0025 -0.0010 4676 GLN 79 CB 0.0011 0.0035 -0.0013 4677 GLN 79 CG 0.0012 0.0032 -0.0015 4678 GLN 79 CD 0.0015 0.0034 -0.0018 4679 GLN 79 OE1 0.0016 0.0038 -0.0019 4680 GLN 79 NE2 0.0016 0.0032 -0.0020 4681 LYS 80 N 0.0009 0.0028 -0.0013 4682 LYS 80 CA 0.0009 0.0024 -0.0015 4683 LYS 80 C 0.0013 0.0025 -0.0018 4684 LYS 80 O 0.0014 0.0028 -0.0019 4685 LYS 80 CB 0.0007 0.0022 -0.0013 4686 LYS 80 CG 0.0007 0.0017 -0.0015 4687 LYS 80 CD 0.0006 0.0016 -0.0013 4688 LYS 80 CE 0.0006 0.0011 -0.0015 4689 LYS 80 NZ 0.0005 0.0009 -0.0014 4690 THR 81 N 0.0007 0.0031 -0.0011 4691 THR 81 CA 0.0035 0.0033 -0.0043 4692 THR 81 C 0.0017 0.0013 -0.0100 4693 THR 81 O -0.0030 -0.0005 -0.0107 4694 THR 81 CB 0.0026 0.0036 -0.0016 4695 THR 81 OG1 0.0044 0.0056 0.0037 4696 THR 81 CG2 0.0057 0.0039 -0.0048 4697 VAL 82 N 0.0054 0.0015 -0.0140 4698 VAL 82 CA 0.0045 -0.0002 -0.0197 4699 VAL 82 C 0.0068 0.0002 -0.0214 4700 VAL 82 O 0.0116 0.0018 -0.0211 4701 VAL 82 CB 0.0068 -0.0003 -0.0232 4702 VAL 82 CG1 0.0062 -0.0019 -0.0291 4703 VAL 82 CG2 0.0042 -0.0007 -0.0216 4704 GLU 83 N 0.0034 -0.0014 -0.0232 4705 GLU 83 CA 0.0048 -0.0014 -0.0253 4706 GLU 83 C 0.0074 0.0005 -0.0210 4707 GLU 83 O 0.0120 0.0019 -0.0217 4708 GLU 83 CB 0.0083 -0.0016 -0.0306 4709 GLU 83 CG 0.0056 -0.0037 -0.0352 4710 GLU 83 CD 0.0090 -0.0038 -0.0405 4711 GLU 83 OE1 0.0137 -0.0022 -0.0404 4712 GLU 83 OE2 0.0071 -0.0055 -0.0447 4713 GLY 84 N 0.0043 0.0005 -0.0166 4714 GLY 84 CA 0.0060 0.0021 -0.0125 4715 GLY 84 C 0.0017 0.0018 -0.0079 4716 GLY 84 O -0.0024 0.0004 -0.0079 4717 ALA 85 N -0.0015 0.0015 -0.0059 4718 ALA 85 CA -0.0020 0.0011 -0.0053 4719 ALA 85 C -0.0017 0.0014 -0.0044 4720 ALA 85 O -0.0012 0.0019 -0.0044 4721 ALA 85 CB -0.0022 0.0008 -0.0057 4722 GLY 86 N -0.0020 0.0010 -0.0037 4723 GLY 86 CA -0.0017 0.0012 -0.0028 4724 GLY 86 C -0.0021 0.0008 -0.0022 4725 GLY 86 O -0.0026 0.0003 -0.0020 4726 SER 87 N -0.0019 0.0010 -0.0020 4727 SER 87 CA -0.0023 0.0006 -0.0014 4728 SER 87 C -0.0019 0.0009 -0.0005 4729 SER 87 O -0.0015 0.0014 -0.0005 4730 SER 87 CB -0.0024 0.0005 -0.0018 4731 SER 87 OG -0.0028 0.0001 -0.0025 4732 ILE 88 N -0.0021 0.0007 0.0001 4733 ILE 88 CA -0.0017 0.0011 0.0009 4734 ILE 88 C -0.0017 0.0011 0.0014 4735 ILE 88 O -0.0012 0.0016 0.0016 4736 ILE 88 CB -0.0019 0.0008 0.0014 4737 ILE 88 CG1 -0.0018 0.0010 0.0009 4738 ILE 88 CG2 -0.0016 0.0011 0.0023 4739 ILE 88 CD1 -0.0020 0.0007 0.0013 4740 ALA 89 N -0.0008 0.0021 0.0007 4741 ALA 89 CA -0.0008 0.0020 0.0007 4742 ALA 89 C -0.0009 0.0023 0.0013 4743 ALA 89 O -0.0008 0.0027 0.0013 4744 ALA 89 CB -0.0007 0.0022 0.0002 4745 ALA 90 N -0.0010 0.0020 0.0017 4746 ALA 90 CA -0.0010 0.0022 0.0023 4747 ALA 90 C -0.0011 0.0019 0.0024 4748 ALA 90 O -0.0011 0.0014 0.0023 4749 ALA 90 CB -0.0011 0.0021 0.0027 4750 ALA 91 N -0.0011 0.0022 0.0028 4751 ALA 91 CA -0.0011 0.0020 0.0030 4752 ALA 91 C -0.0012 0.0022 0.0035 4753 ALA 91 O -0.0011 0.0027 0.0036 4754 ALA 91 CB -0.0011 0.0021 0.0026 4755 THR 92 N -0.0013 0.0019 0.0040 4756 THR 92 CA -0.0013 0.0021 0.0045 4757 THR 92 C -0.0014 0.0018 0.0047 4758 THR 92 O -0.0014 0.0013 0.0045 4759 THR 92 CB -0.0014 0.0019 0.0049 4760 THR 92 OG1 -0.0015 0.0013 0.0050 4761 THR 92 CG2 -0.0014 0.0021 0.0047 4762 GLY 93 N -0.0032 0.0010 0.0052 4763 GLY 93 CA -0.0031 0.0005 0.0063 4764 GLY 93 C -0.0031 -0.0000 0.0075 4765 GLY 93 O -0.0028 -0.0010 0.0081 4766 PHE 94 N -0.0033 0.0006 0.0078 4767 PHE 94 CA -0.0033 0.0002 0.0090 4768 PHE 94 C -0.0034 0.0005 0.0086 4769 PHE 94 O -0.0037 0.0015 0.0079 4770 PHE 94 CB -0.0037 0.0010 0.0102 4771 PHE 94 CG -0.0037 0.0007 0.0108 4772 PHE 94 CD1 -0.0034 -0.0003 0.0118 4773 PHE 94 CD2 -0.0039 0.0014 0.0104 4774 PHE 94 CE1 -0.0034 -0.0006 0.0124 4775 PHE 94 CE2 -0.0038 0.0011 0.0110 4776 PHE 94 CZ -0.0036 0.0001 0.0120 4777 VAL 95 N -0.0031 -0.0004 0.0090 4778 VAL 95 CA -0.0031 -0.0002 0.0089 4779 VAL 95 C -0.0031 -0.0007 0.0102 4780 VAL 95 O -0.0027 -0.0018 0.0107 4781 VAL 95 CB -0.0027 -0.0010 0.0077 4782 VAL 95 CG1 -0.0028 -0.0009 0.0077 4783 VAL 95 CG2 -0.0028 -0.0005 0.0063 4784 LYS 96 N -0.0035 0.0002 0.0109 4785 LYS 96 CA -0.0035 -0.0001 0.0122 4786 LYS 96 C -0.0036 0.0001 0.0121 4787 LYS 96 O -0.0036 0.0005 0.0111 4788 LYS 96 CB -0.0039 0.0007 0.0133 4789 LYS 96 CG -0.0039 0.0005 0.0136 4790 LYS 96 CD -0.0035 -0.0008 0.0144 4791 LYS 96 CE -0.0034 -0.0011 0.0147 4792 LYS 96 NZ -0.0039 -0.0002 0.0157 4793 LYS 97 N -0.0072 -0.0036 0.0098 4794 LYS 97 CA -0.0068 -0.0042 0.0078 4795 LYS 97 C -0.0060 -0.0041 0.0062 4796 LYS 97 O -0.0052 -0.0031 0.0065 4797 LYS 97 CB -0.0057 -0.0031 0.0076 4798 LYS 97 CG -0.0053 -0.0037 0.0056 4799 LYS 97 CD -0.0067 -0.0053 0.0054 4800 LYS 97 CE -0.0063 -0.0059 0.0034 4801 LYS 97 NZ -0.0052 -0.0047 0.0033 4802 ASP 98 N -0.0063 -0.0054 0.0044 4803 ASP 98 CA -0.0056 -0.0055 0.0027 4804 ASP 98 C -0.0052 -0.0060 0.0008 4805 ASP 98 O -0.0054 -0.0061 0.0009 4806 ASP 98 CB -0.0066 -0.0067 0.0026 4807 ASP 98 CG -0.0058 -0.0064 0.0013 4808 ASP 98 OD1 -0.0044 -0.0053 0.0004 4809 ASP 98 OD2 -0.0065 -0.0073 0.0012 4810 GLN 99 N -0.0045 -0.0061 -0.0010 4811 GLN 99 CA -0.0041 -0.0067 -0.0029 4812 GLN 99 C -0.0055 -0.0084 -0.0034 4813 GLN 99 O -0.0055 -0.0088 -0.0039 4814 GLN 99 CB -0.0032 -0.0065 -0.0047 4815 GLN 99 CG -0.0026 -0.0069 -0.0067 4816 GLN 99 CD -0.0017 -0.0068 -0.0084 4817 GLN 99 OE1 -0.0015 -0.0064 -0.0081 4818 GLN 99 NE2 -0.0011 -0.0071 -0.0103 4819 VAL 37 N -0.0209 -0.0077 0.0141 4820 VAL 37 CA -0.0193 -0.0062 0.0120 4821 VAL 37 C -0.0155 -0.0050 0.0111 4822 VAL 37 O -0.0130 -0.0041 0.0104 4823 VAL 37 CB -0.0191 -0.0073 0.0139 4824 VAL 37 CG1 -0.0230 -0.0079 0.0137 4825 VAL 37 CG2 -0.0177 -0.0091 0.0176 4826 LEU 38 N -0.0153 -0.0049 0.0111 4827 LEU 38 CA -0.0118 -0.0038 0.0103 4828 LEU 38 C -0.0111 -0.0016 0.0066 4829 LEU 38 O -0.0080 -0.0005 0.0058 4830 LEU 38 CB -0.0119 -0.0044 0.0112 4831 LEU 38 CG -0.0106 -0.0061 0.0147 4832 LEU 38 CD1 -0.0063 -0.0057 0.0155 4833 LEU 38 CD2 -0.0126 -0.0081 0.0175 4834 TYR 39 N -0.0141 -0.0009 0.0043 4835 TYR 39 CA -0.0141 0.0012 0.0006 4836 TYR 39 C -0.0110 0.0026 -0.0008 4837 TYR 39 O -0.0083 0.0039 -0.0021 4838 TYR 39 CB -0.0138 0.0018 -0.0003 4839 TYR 39 CG -0.0172 0.0009 0.0002 4840 TYR 39 CD1 -0.0204 0.0016 -0.0021 4841 TYR 39 CD2 -0.0172 -0.0007 0.0030 4842 TYR 39 CE1 -0.0235 0.0007 -0.0016 4843 TYR 39 CE2 -0.0203 -0.0016 0.0035 4844 TYR 39 CZ -0.0235 -0.0009 0.0012 4845 TYR 39 OH -0.0266 -0.0018 0.0017 4846 VAL 40 N -0.0113 0.0024 -0.0005 4847 VAL 40 CA -0.0086 0.0037 -0.0019 4848 VAL 40 C -0.0093 0.0058 -0.0057 4849 VAL 40 O -0.0066 0.0073 -0.0075 4850 VAL 40 CB -0.0089 0.0027 -0.0003 4851 VAL 40 CG1 -0.0062 0.0041 -0.0017 4852 VAL 40 CG2 -0.0080 0.0007 0.0035 4853 GLY 41 N -0.0067 0.0097 -0.0038 4854 GLY 41 CA -0.0066 0.0100 -0.0025 4855 GLY 41 C -0.0063 0.0102 0.0003 4856 GLY 41 O -0.0057 0.0119 0.0014 4857 SER 42 N -0.0067 0.0087 0.0014 4858 SER 42 CA -0.0064 0.0090 0.0040 4859 SER 42 C -0.0063 0.0090 0.0059 4860 SER 42 O -0.0057 0.0105 0.0076 4861 SER 42 CB -0.0069 0.0071 0.0047 4862 SER 42 OG -0.0067 0.0074 0.0071 4863 LYS 43 N -0.0068 0.0074 0.0056 4864 LYS 43 CA -0.0066 0.0076 0.0070 4865 LYS 43 C -0.0072 0.0062 0.0056 4866 LYS 43 O -0.0078 0.0040 0.0053 4867 LYS 43 CB -0.0067 0.0067 0.0097 4868 LYS 43 CG -0.0065 0.0071 0.0112 4869 LYS 43 CD -0.0066 0.0063 0.0139 4870 LYS 43 CE -0.0063 0.0070 0.0154 4871 LYS 43 NZ -0.0067 0.0057 0.0146 4872 THR 44 N -0.0069 0.0073 0.0047 4873 THR 44 CA -0.0073 0.0061 0.0036 4874 THR 44 C -0.0070 0.0068 0.0051 4875 THR 44 O -0.0064 0.0087 0.0061 4876 THR 44 CB -0.0073 0.0068 0.0008 4877 THR 44 OG1 -0.0066 0.0093 0.0006 4878 THR 44 CG2 -0.0075 0.0063 -0.0006 4879 LYS 45 N -0.0027 0.0043 0.0066 4880 LYS 45 CA -0.0028 0.0052 0.0070 4881 LYS 45 C -0.0025 0.0042 0.0055 4882 LYS 45 O -0.0026 0.0025 0.0058 4883 LYS 45 CB -0.0031 0.0048 0.0091 4884 LYS 45 CG -0.0032 0.0059 0.0097 4885 LYS 45 CD -0.0036 0.0058 0.0119 4886 LYS 45 CE -0.0036 0.0069 0.0125 4887 LYS 45 NZ -0.0040 0.0069 0.0147 4888 GLU 46 N -0.0023 0.0052 0.0038 4889 GLU 46 CA -0.0020 0.0042 0.0021 4890 GLU 46 C -0.0018 0.0055 0.0011 4891 GLU 46 O -0.0017 0.0072 0.0004 4892 GLU 46 CB -0.0018 0.0035 0.0007 4893 GLU 46 CG -0.0017 0.0050 0.0000 4894 GLU 46 CD -0.0015 0.0041 -0.0011 4895 GLU 46 OE1 -0.0015 0.0022 -0.0013 4896 GLU 46 OE2 -0.0014 0.0051 -0.0018 4897 GLY 47 N -0.0018 0.0048 0.0010 4898 GLY 47 CA -0.0017 0.0060 0.0002 4899 GLY 47 C -0.0019 0.0073 0.0018 4900 GLY 47 O -0.0019 0.0091 0.0013 4901 VAL 48 N -0.0022 0.0066 0.0036 4902 VAL 48 CA -0.0025 0.0078 0.0053 4903 VAL 48 C -0.0026 0.0071 0.0061 4904 VAL 48 O -0.0027 0.0052 0.0063 4905 VAL 48 CB -0.0027 0.0077 0.0069 4906 VAL 48 CG1 -0.0030 0.0089 0.0088 4907 VAL 48 CG2 -0.0026 0.0084 0.0061 4908 VAL 49 N -0.0006 0.0064 0.0047 4909 VAL 49 CA -0.0000 0.0059 0.0040 4910 VAL 49 C -0.0005 0.0063 0.0046 4911 VAL 49 O -0.0016 0.0070 0.0046 4912 VAL 49 CB -0.0003 0.0058 0.0025 4913 VAL 49 CG1 0.0000 0.0055 0.0018 4914 VAL 49 CG2 0.0003 0.0053 0.0019 4915 HIS 50 N 0.0003 0.0059 0.0051 4916 HIS 50 CA -0.0002 0.0063 0.0056 4917 HIS 50 C 0.0006 0.0057 0.0054 4918 HIS 50 O 0.0017 0.0051 0.0057 4919 HIS 50 CB -0.0005 0.0067 0.0071 4920 HIS 50 CG 0.0005 0.0063 0.0081 4921 HIS 50 ND1 0.0011 0.0060 0.0087 4922 HIS 50 CD2 0.0010 0.0061 0.0087 4923 HIS 50 CE1 0.0019 0.0057 0.0096 4924 HIS 50 NE2 0.0019 0.0057 0.0096 4925 GLY 51 N 0.0001 0.0060 0.0049 4926 GLY 51 CA 0.0008 0.0055 0.0047 4927 GLY 51 C 0.0013 0.0050 0.0034 4928 GLY 51 O 0.0024 0.0043 0.0034 4929 VAL 52 N 0.0006 0.0052 0.0022 4930 VAL 52 CA 0.0010 0.0047 0.0009 4931 VAL 52 C 0.0006 0.0049 0.0001 4932 VAL 52 O -0.0005 0.0055 0.0000 4933 VAL 52 CB 0.0006 0.0048 0.0001 4934 VAL 52 CG1 0.0010 0.0044 -0.0013 4935 VAL 52 CG2 0.0012 0.0046 0.0009 4936 ALA 53 N 0.0068 0.0013 -0.0008 4937 ALA 53 CA 0.0065 0.0024 -0.0006 4938 ALA 53 C 0.0072 0.0027 -0.0013 4939 ALA 53 O 0.0075 0.0018 -0.0016 4940 ALA 53 CB 0.0056 0.0024 0.0003 4941 THR 54 N 0.0073 0.0038 -0.0017 4942 THR 54 CA 0.0080 0.0042 -0.0025 4943 THR 54 C 0.0077 0.0055 -0.0024 4944 THR 54 O 0.0075 0.0063 -0.0023 4945 THR 54 CB 0.0089 0.0041 -0.0034 4946 THR 54 OG1 0.0092 0.0029 -0.0035 4947 THR 54 CG2 0.0096 0.0045 -0.0042 4948 VAL 55 N 0.0077 0.0056 -0.0024 4949 VAL 55 CA 0.0075 0.0068 -0.0024 4950 VAL 55 C 0.0083 0.0069 -0.0033 4951 VAL 55 O 0.0086 0.0061 -0.0034 4952 VAL 55 CB 0.0067 0.0068 -0.0016 4953 VAL 55 CG1 0.0065 0.0080 -0.0016 4954 VAL 55 CG2 0.0059 0.0067 -0.0007 4955 ALA 56 N 0.0087 0.0080 -0.0038 4956 ALA 56 CA 0.0094 0.0083 -0.0046 4957 ALA 56 C 0.0092 0.0096 -0.0046 4958 ALA 56 O 0.0091 0.0105 -0.0047 4959 ALA 56 CB 0.0103 0.0082 -0.0055 4960 GLU 57 N 0.0078 0.0063 0.0002 4961 GLU 57 CA 0.0071 0.0047 -0.0029 4962 GLU 57 C 0.0068 0.0035 -0.0053 4963 GLU 57 O 0.0095 0.0026 -0.0058 4964 GLU 57 CB 0.0100 0.0038 -0.0036 4965 GLU 57 CG 0.0101 0.0048 -0.0016 4966 GLU 57 CD 0.0130 0.0038 -0.0024 4967 GLU 57 OE1 0.0151 0.0024 -0.0043 4968 GLU 57 OE2 0.0132 0.0045 -0.0011 4969 LYS 58 N 0.0037 0.0033 -0.0067 4970 LYS 58 CA 0.0029 0.0023 -0.0087 4971 LYS 58 C 0.0011 0.0009 -0.0119 4972 LYS 58 O -0.0019 0.0014 -0.0120 4973 LYS 58 CB 0.0007 0.0036 -0.0072 4974 LYS 58 CG 0.0026 0.0048 -0.0044 4975 LYS 58 CD 0.0004 0.0060 -0.0030 4976 LYS 58 CE 0.0023 0.0072 -0.0001 4977 LYS 58 NZ 0.0001 0.0084 0.0012 4978 THR 59 N 0.0030 -0.0008 -0.0143 4979 THR 59 CA 0.0016 -0.0022 -0.0173 4980 THR 59 C -0.0013 -0.0025 -0.0188 4981 THR 59 O -0.0039 -0.0028 -0.0204 4982 THR 59 CB 0.0045 -0.0040 -0.0195 4983 THR 59 OG1 0.0072 -0.0037 -0.0180 4984 THR 59 CG2 0.0032 -0.0054 -0.0226 4985 LYS 60 N -0.0011 -0.0022 -0.0182 4986 LYS 60 CA -0.0039 -0.0023 -0.0194 4987 LYS 60 C -0.0039 -0.0011 -0.0172 4988 LYS 60 O -0.0014 -0.0014 -0.0169 4989 LYS 60 CB -0.0035 -0.0042 -0.0227 4990 LYS 60 CG -0.0066 -0.0044 -0.0242 4991 LYS 60 CD -0.0062 -0.0064 -0.0276 4992 LYS 60 CE -0.0093 -0.0066 -0.0291 4993 LYS 60 NZ -0.0089 -0.0086 -0.0325 4994 GLU 61 N -0.0060 -0.0015 -0.0141 4995 GLU 61 CA -0.0059 -0.0006 -0.0109 4996 GLU 61 C -0.0088 -0.0011 -0.0112 4997 GLU 61 O -0.0122 -0.0015 -0.0112 4998 GLU 61 CB -0.0066 0.0003 -0.0075 4999 GLU 61 CG -0.0065 0.0013 -0.0041 5000 GLU 61 CD -0.0071 0.0023 -0.0007 5001 GLU 61 OE1 -0.0076 0.0021 -0.0010 5002 GLU 61 OE2 -0.0070 0.0031 0.0023 5003 GLN 62 N -0.0075 -0.0010 -0.0115 5004 GLN 62 CA -0.0100 -0.0015 -0.0121 5005 GLN 62 C -0.0094 -0.0005 -0.0092 5006 GLN 62 O -0.0063 -0.0000 -0.0089 5007 GLN 62 CB -0.0092 -0.0024 -0.0158 5008 GLN 62 CG -0.0118 -0.0031 -0.0168 5009 GLN 62 CD -0.0111 -0.0041 -0.0206 5010 GLN 62 OE1 -0.0086 -0.0043 -0.0226 5011 GLN 62 NE2 -0.0132 -0.0047 -0.0216 5012 VAL 63 N -0.0123 -0.0003 -0.0070 5013 VAL 63 CA -0.0121 0.0006 -0.0041 5014 VAL 63 C -0.0152 -0.0000 -0.0048 5015 VAL 63 O -0.0185 -0.0002 -0.0038 5016 VAL 63 CB -0.0125 0.0016 -0.0004 5017 VAL 63 CG1 -0.0124 0.0025 0.0025 5018 VAL 63 CG2 -0.0095 0.0022 0.0002 5019 THR 64 N -0.0143 -0.0004 -0.0064 5020 THR 64 CA -0.0170 -0.0010 -0.0072 5021 THR 64 C -0.0159 -0.0003 -0.0055 5022 THR 64 O -0.0133 -0.0004 -0.0069 5023 THR 64 CB -0.0174 -0.0022 -0.0113 5024 THR 64 OG1 -0.0141 -0.0022 -0.0128 5025 THR 64 CG2 -0.0179 -0.0028 -0.0132 5026 ASN 65 N -0.0101 -0.0043 -0.0019 5027 ASN 65 CA -0.0090 -0.0034 0.0002 5028 ASN 65 C -0.0093 -0.0044 0.0017 5029 ASN 65 O -0.0104 -0.0060 0.0014 5030 ASN 65 CB -0.0087 -0.0033 0.0014 5031 ASN 65 CG -0.0096 -0.0053 0.0027 5032 ASN 65 OD1 -0.0104 -0.0066 0.0034 5033 ASN 65 ND2 -0.0096 -0.0053 0.0031 5034 VAL 66 N -0.0082 -0.0034 0.0032 5035 VAL 66 CA -0.0084 -0.0043 0.0050 5036 VAL 66 C -0.0076 -0.0040 0.0073 5037 VAL 66 O -0.0065 -0.0025 0.0074 5038 VAL 66 CB -0.0080 -0.0036 0.0049 5039 VAL 66 CG1 -0.0085 -0.0035 0.0025 5040 VAL 66 CG2 -0.0065 -0.0018 0.0059 5041 GLY 67 N -0.0082 -0.0054 0.0089 5042 GLY 67 CA -0.0076 -0.0053 0.0111 5043 GLY 67 C -0.0073 -0.0050 0.0114 5044 GLY 67 O -0.0068 -0.0050 0.0133 5045 GLY 68 N -0.0076 -0.0048 0.0095 5046 GLY 68 CA -0.0072 -0.0042 0.0096 5047 GLY 68 C -0.0084 -0.0055 0.0084 5048 GLY 68 O -0.0095 -0.0069 0.0076 5049 ALA 69 N -0.0065 -0.0022 0.0064 5050 ALA 69 CA -0.0063 -0.0028 0.0054 5051 ALA 69 C -0.0058 -0.0018 0.0040 5052 ALA 69 O -0.0056 -0.0004 0.0041 5053 ALA 69 CB -0.0065 -0.0027 0.0062 5054 VAL 70 N -0.0055 -0.0025 0.0027 5055 VAL 70 CA -0.0049 -0.0017 0.0014 5056 VAL 70 C -0.0047 -0.0022 0.0003 5057 VAL 70 O -0.0048 -0.0035 0.0001 5058 VAL 70 CB -0.0047 -0.0020 0.0006 5059 VAL 70 CG1 -0.0042 -0.0013 -0.0009 5060 VAL 70 CG2 -0.0049 -0.0013 0.0016 5061 VAL 71 N -0.0044 -0.0010 -0.0002 5062 VAL 71 CA -0.0040 -0.0013 -0.0014 5063 VAL 71 C -0.0035 -0.0007 -0.0028 5064 VAL 71 O -0.0033 0.0006 -0.0029 5065 VAL 71 CB -0.0041 -0.0005 -0.0009 5066 VAL 71 CG1 -0.0037 -0.0006 -0.0022 5067 VAL 71 CG2 -0.0046 -0.0011 0.0005 5068 THR 72 N -0.0033 -0.0018 -0.0040 5069 THR 72 CA -0.0028 -0.0014 -0.0054 5070 THR 72 C -0.0025 -0.0016 -0.0066 5071 THR 72 O -0.0026 -0.0029 -0.0069 5072 THR 72 CB -0.0028 -0.0023 -0.0058 5073 THR 72 OG1 -0.0030 -0.0039 -0.0060 5074 THR 72 CG2 -0.0031 -0.0021 -0.0047 5075 GLY 73 N 0.0009 0.0022 -0.0074 5076 GLY 73 CA 0.0019 0.0026 -0.0063 5077 GLY 73 C 0.0016 0.0041 -0.0055 5078 GLY 73 O 0.0017 0.0046 -0.0052 5079 VAL 74 N 0.0015 0.0049 -0.0052 5080 VAL 74 CA 0.0014 0.0063 -0.0043 5081 VAL 74 C 0.0028 0.0063 -0.0032 5082 VAL 74 O 0.0036 0.0053 -0.0032 5083 VAL 74 CB 0.0005 0.0072 -0.0045 5084 VAL 74 CG1 -0.0007 0.0069 -0.0057 5085 VAL 74 CG2 0.0011 0.0071 -0.0041 5086 THR 75 N 0.0030 0.0073 -0.0024 5087 THR 75 CA 0.0042 0.0074 -0.0013 5088 THR 75 C 0.0042 0.0089 -0.0004 5089 THR 75 O 0.0033 0.0098 -0.0005 5090 THR 75 CB 0.0049 0.0068 -0.0011 5091 THR 75 OG1 0.0049 0.0054 -0.0020 5092 THR 75 CG2 0.0063 0.0067 -0.0000 5093 ALA 76 N 0.0050 0.0092 0.0004 5094 ALA 76 CA 0.0052 0.0105 0.0014 5095 ALA 76 C 0.0040 0.0116 0.0012 5096 ALA 76 O 0.0036 0.0127 0.0016 5097 ALA 76 CB 0.0057 0.0109 0.0021 5098 VAL 77 N 0.0043 0.0137 0.0023 5099 VAL 77 CA 0.0049 0.0138 0.0014 5100 VAL 77 C 0.0048 0.0129 0.0009 5101 VAL 77 O 0.0044 0.0122 0.0009 5102 VAL 77 CB 0.0053 0.0140 0.0009 5103 VAL 77 CG1 0.0060 0.0141 0.0000 5104 VAL 77 CG2 0.0054 0.0149 0.0014 5105 ALA 78 N 0.0051 0.0130 0.0006 5106 ALA 78 CA 0.0049 0.0122 0.0002 5107 ALA 78 C 0.0055 0.0124 -0.0006 5108 ALA 78 O 0.0057 0.0129 -0.0005 5109 ALA 78 CB 0.0044 0.0120 0.0009 5110 GLN 79 N 0.0058 0.0119 -0.0014 5111 GLN 79 CA 0.0064 0.0120 -0.0022 5112 GLN 79 C 0.0062 0.0111 -0.0026 5113 GLN 79 O 0.0057 0.0104 -0.0025 5114 GLN 79 CB 0.0069 0.0124 -0.0028 5115 GLN 79 CG 0.0069 0.0117 -0.0032 5116 GLN 79 CD 0.0075 0.0121 -0.0039 5117 GLN 79 OE1 0.0079 0.0129 -0.0040 5118 GLN 79 NE2 0.0074 0.0115 -0.0042 5119 LYS 80 N 0.0066 0.0112 -0.0032 5120 LYS 80 CA 0.0066 0.0104 -0.0038 5121 LYS 80 C 0.0073 0.0106 -0.0047 5122 LYS 80 O 0.0077 0.0114 -0.0048 5123 LYS 80 CB 0.0063 0.0101 -0.0036 5124 LYS 80 CG 0.0062 0.0092 -0.0042 5125 LYS 80 CD 0.0060 0.0089 -0.0040 5126 LYS 80 CE 0.0059 0.0080 -0.0046 5127 LYS 80 NZ 0.0057 0.0077 -0.0045 5128 THR 81 N 0.0181 0.0132 -0.0022 5129 THR 81 CA 0.0231 0.0133 -0.0067 5130 THR 81 C 0.0209 0.0092 -0.0146 5131 THR 81 O 0.0144 0.0063 -0.0156 5132 THR 81 CB 0.0227 0.0145 -0.0032 5133 THR 81 OG1 0.0248 0.0184 0.0042 5134 THR 81 CG2 0.0280 0.0147 -0.0079 5135 VAL 82 N 0.0263 0.0090 -0.0202 5136 VAL 82 CA 0.0254 0.0055 -0.0281 5137 VAL 82 C 0.0299 0.0061 -0.0308 5138 VAL 82 O 0.0368 0.0089 -0.0305 5139 VAL 82 CB 0.0282 0.0046 -0.0329 5140 VAL 82 CG1 0.0279 0.0011 -0.0412 5141 VAL 82 CG2 0.0233 0.0037 -0.0304 5142 GLU 83 N 0.0259 0.0035 -0.0334 5143 GLU 83 CA 0.0291 0.0035 -0.0365 5144 GLU 83 C 0.0331 0.0074 -0.0308 5145 GLU 83 O 0.0400 0.0096 -0.0318 5146 GLU 83 CB 0.0343 0.0025 -0.0439 5147 GLU 83 CG 0.0303 -0.0016 -0.0503 5148 GLU 83 CD 0.0355 -0.0026 -0.0576 5149 GLU 83 OE1 0.0424 0.0000 -0.0577 5150 GLU 83 OE2 0.0327 -0.0060 -0.0634 5151 GLY 84 N 0.0286 0.0081 -0.0246 5152 GLY 84 CA 0.0314 0.0115 -0.0190 5153 GLY 84 C 0.0252 0.0117 -0.0126 5154 GLY 84 O 0.0188 0.0093 -0.0124 5155 ALA 85 N 0.0107 0.0037 -0.0094 5156 ALA 85 CA 0.0098 0.0040 -0.0084 5157 ALA 85 C 0.0097 0.0052 -0.0071 5158 ALA 85 O 0.0108 0.0060 -0.0069 5159 ALA 85 CB 0.0104 0.0042 -0.0085 5160 GLY 86 N 0.0083 0.0052 -0.0062 5161 GLY 86 CA 0.0081 0.0062 -0.0049 5162 GLY 86 C 0.0073 0.0067 -0.0038 5163 GLY 86 O 0.0059 0.0061 -0.0036 5164 SER 87 N 0.0080 0.0077 -0.0031 5165 SER 87 CA 0.0073 0.0083 -0.0021 5166 SER 87 C 0.0072 0.0093 -0.0009 5167 SER 87 O 0.0083 0.0103 -0.0006 5168 SER 87 CB 0.0081 0.0087 -0.0022 5169 SER 87 OG 0.0080 0.0077 -0.0032 5170 ILE 88 N 0.0059 0.0092 -0.0001 5171 ILE 88 CA 0.0058 0.0101 0.0009 5172 ILE 88 C 0.0060 0.0113 0.0020 5173 ILE 88 O 0.0070 0.0122 0.0024 5174 ILE 88 CB 0.0043 0.0096 0.0013 5175 ILE 88 CG1 0.0044 0.0086 0.0002 5176 ILE 88 CG2 0.0040 0.0105 0.0025 5177 ILE 88 CD1 0.0029 0.0079 0.0004 5178 ALA 89 N 0.0023 0.0027 0.0006 5179 ALA 89 CA 0.0021 0.0016 0.0008 5180 ALA 89 C 0.0011 0.0019 0.0017 5181 ALA 89 O 0.0010 0.0024 0.0018 5182 ALA 89 CB 0.0029 0.0015 0.0001 5183 ALA 90 N 0.0003 0.0015 0.0024 5184 ALA 90 CA -0.0007 0.0017 0.0033 5185 ALA 90 C -0.0012 0.0004 0.0038 5186 ALA 90 O -0.0009 -0.0007 0.0036 5187 ALA 90 CB -0.0014 0.0023 0.0039 5188 ALA 91 N -0.0019 0.0005 0.0044 5189 ALA 91 CA -0.0023 -0.0007 0.0049 5190 ALA 91 C -0.0034 -0.0003 0.0058 5191 ALA 91 O -0.0035 0.0006 0.0059 5192 ALA 91 CB -0.0017 -0.0013 0.0043 5193 THR 92 N -0.0041 -0.0010 0.0065 5194 THR 92 CA -0.0052 -0.0007 0.0074 5195 THR 92 C -0.0056 -0.0020 0.0078 5196 THR 92 O -0.0053 -0.0031 0.0076 5197 THR 92 CB -0.0058 -0.0002 0.0079 5198 THR 92 OG1 -0.0059 -0.0012 0.0080 5199 THR 92 CG2 -0.0053 0.0011 0.0075 5200 GLY 93 N -0.0030 -0.0026 0.0074 5201 GLY 93 CA -0.0026 -0.0029 0.0093 5202 GLY 93 C -0.0019 -0.0037 0.0110 5203 GLY 93 O -0.0011 -0.0049 0.0121 5204 PHE 94 N -0.0022 -0.0031 0.0112 5205 PHE 94 CA -0.0017 -0.0037 0.0128 5206 PHE 94 C -0.0018 -0.0038 0.0118 5207 PHE 94 O -0.0026 -0.0025 0.0107 5208 PHE 94 CB -0.0023 -0.0024 0.0147 5209 PHE 94 CG -0.0021 -0.0024 0.0161 5210 PHE 94 CD1 -0.0013 -0.0037 0.0176 5211 PHE 94 CD2 -0.0029 -0.0013 0.0157 5212 PHE 94 CE1 -0.0011 -0.0037 0.0189 5213 PHE 94 CE2 -0.0027 -0.0013 0.0169 5214 PHE 94 CZ -0.0018 -0.0025 0.0185 5215 VAL 95 N -0.0009 -0.0053 0.0122 5216 VAL 95 CA -0.0009 -0.0054 0.0117 5217 VAL 95 C -0.0003 -0.0060 0.0136 5218 VAL 95 O 0.0006 -0.0075 0.0144 5219 VAL 95 CB -0.0003 -0.0067 0.0098 5220 VAL 95 CG1 -0.0002 -0.0070 0.0095 5221 VAL 95 CG2 -0.0009 -0.0060 0.0077 5222 LYS 96 N -0.0008 -0.0050 0.0145 5223 LYS 96 CA -0.0004 -0.0054 0.0163 5224 LYS 96 C -0.0004 -0.0055 0.0158 5225 LYS 96 O -0.0008 -0.0052 0.0140 5226 LYS 96 CB -0.0010 -0.0039 0.0182 5227 LYS 96 CG -0.0010 -0.0039 0.0190 5228 LYS 96 CD 0.0001 -0.0055 0.0203 5229 LYS 96 CE 0.0002 -0.0055 0.0211 5230 LYS 96 NZ -0.0005 -0.0040 0.0227 5231 LYS 97 N -0.0019 -0.0007 0.0144 5232 LYS 97 CA -0.0017 -0.0007 0.0116 5233 LYS 97 C -0.0016 -0.0008 0.0092 5234 LYS 97 O -0.0009 0.0002 0.0095 5235 LYS 97 CB -0.0002 0.0014 0.0114 5236 LYS 97 CG 0.0001 0.0015 0.0088 5237 LYS 97 CD -0.0013 -0.0005 0.0087 5238 LYS 97 CE -0.0011 -0.0004 0.0060 5239 LYS 97 NZ 0.0006 0.0017 0.0059 5240 ASP 98 N -0.0023 -0.0020 0.0068 5241 ASP 98 CA -0.0021 -0.0021 0.0041 5242 ASP 98 C -0.0018 -0.0019 0.0016 5243 ASP 98 O -0.0016 -0.0016 0.0020 5244 ASP 98 CB -0.0037 -0.0043 0.0039 5245 ASP 98 CG -0.0034 -0.0042 0.0019 5246 ASP 98 OD1 -0.0020 -0.0023 0.0005 5247 ASP 98 OD2 -0.0047 -0.0058 0.0016 5248 GLN 99 N -0.0016 -0.0020 -0.0011 5249 GLN 99 CA -0.0013 -0.0019 -0.0037 5250 GLN 99 C -0.0029 -0.0040 -0.0042 5251 GLN 99 O -0.0027 -0.0038 -0.0047 5252 GLN 99 CB -0.0009 -0.0017 -0.0063 5253 GLN 99 CG -0.0005 -0.0014 -0.0092 5254 GLN 99 CD -0.0001 -0.0012 -0.0117 5255 GLN 99 OE1 -0.0002 -0.0013 -0.0114 5256 GLN 99 NE2 0.0003 -0.0009 -0.0143