1 VAL 37 N 0.0053 0.0032 -0.0156 2 VAL 37 CA 0.0072 0.0029 -0.0145 3 VAL 37 C 0.0074 0.0028 -0.0142 4 VAL 37 O 0.0090 0.0030 -0.0138 5 VAL 37 CB 0.0089 0.0040 -0.0153 6 VAL 37 CG1 0.0088 0.0038 -0.0151 7 VAL 37 CG2 0.0086 0.0052 -0.0172 8 LEU 38 N 0.0057 0.0024 -0.0143 9 LEU 38 CA 0.0056 0.0022 -0.0140 10 LEU 38 C 0.0063 0.0011 -0.0122 11 LEU 38 O 0.0076 0.0012 -0.0118 12 LEU 38 CB 0.0035 0.0020 -0.0146 13 LEU 38 CG 0.0028 0.0031 -0.0165 14 LEU 38 CD1 0.0038 0.0037 -0.0169 15 LEU 38 CD2 0.0030 0.0041 -0.0178 16 TYR 39 N 0.0055 0.0000 -0.0110 17 TYR 39 CA 0.0061 -0.0011 -0.0092 18 TYR 39 C 0.0058 -0.0016 -0.0086 19 TYR 39 O 0.0072 -0.0017 -0.0079 20 TYR 39 CB 0.0082 -0.0010 -0.0085 21 TYR 39 CG 0.0085 -0.0008 -0.0087 22 TYR 39 CD1 0.0079 -0.0018 -0.0074 23 TYR 39 CD2 0.0093 0.0004 -0.0100 24 TYR 39 CE1 0.0082 -0.0017 -0.0075 25 TYR 39 CE2 0.0096 0.0005 -0.0101 26 TYR 39 CZ 0.0091 -0.0005 -0.0089 27 TYR 39 OH 0.0094 -0.0003 -0.0090 28 VAL 40 N 0.0039 -0.0019 -0.0089 29 VAL 40 CA 0.0034 -0.0025 -0.0083 30 VAL 40 C 0.0035 -0.0038 -0.0064 31 VAL 40 O 0.0043 -0.0042 -0.0056 32 VAL 40 CB 0.0014 -0.0024 -0.0093 33 VAL 40 CG1 0.0008 -0.0029 -0.0087 34 VAL 40 CG2 0.0014 -0.0010 -0.0112 35 GLY 41 N 0.0039 -0.0059 -0.0076 36 GLY 41 CA 0.0036 -0.0058 -0.0060 37 GLY 41 C 0.0030 -0.0060 -0.0034 38 GLY 41 O 0.0021 -0.0074 -0.0022 39 SER 42 N 0.0034 -0.0046 -0.0024 40 SER 42 CA 0.0028 -0.0050 -0.0001 41 SER 42 C 0.0025 -0.0047 0.0021 42 SER 42 O 0.0016 -0.0060 0.0037 43 SER 42 CB 0.0034 -0.0034 0.0004 44 SER 42 OG 0.0028 -0.0037 0.0027 45 LYS 43 N 0.0033 -0.0030 0.0020 46 LYS 43 CA 0.0030 -0.0028 0.0037 47 LYS 43 C 0.0039 -0.0013 0.0025 48 LYS 43 O 0.0049 0.0007 0.0022 49 LYS 43 CB 0.0029 -0.0019 0.0063 50 LYS 43 CG 0.0025 -0.0020 0.0080 51 LYS 43 CD 0.0024 -0.0011 0.0106 52 LYS 43 CE 0.0019 -0.0015 0.0124 53 LYS 43 NZ 0.0026 -0.0000 0.0119 54 THR 44 N 0.0036 -0.0022 0.0019 55 THR 44 CA 0.0044 -0.0008 0.0011 56 THR 44 C 0.0039 -0.0012 0.0028 57 THR 44 O 0.0029 -0.0029 0.0038 58 THR 44 CB 0.0046 -0.0015 -0.0016 59 THR 44 OG1 0.0036 -0.0038 -0.0018 60 THR 44 CG2 0.0051 -0.0013 -0.0033 61 LYS 45 N -0.0002 0.0008 0.0004 62 LYS 45 CA -0.0000 0.0006 -0.0002 63 LYS 45 C -0.0004 0.0013 -0.0016 64 LYS 45 O -0.0011 0.0024 -0.0015 65 LYS 45 CB -0.0003 0.0008 0.0008 66 LYS 45 CG -0.0000 0.0005 0.0004 67 LYS 45 CD -0.0002 0.0006 0.0015 68 LYS 45 CE 0.0001 0.0002 0.0010 69 LYS 45 NZ -0.0000 0.0003 0.0021 70 GLU 46 N -0.0000 0.0008 -0.0027 71 GLU 46 CA -0.0004 0.0015 -0.0040 72 GLU 46 C 0.0001 0.0009 -0.0053 73 GLU 46 O 0.0008 -0.0001 -0.0056 74 GLU 46 CB -0.0005 0.0017 -0.0042 75 GLU 46 CG 0.0002 0.0006 -0.0041 76 GLU 46 CD 0.0000 0.0009 -0.0040 77 GLU 46 OE1 -0.0007 0.0019 -0.0040 78 GLU 46 OE2 0.0005 0.0001 -0.0039 79 GLY 47 N -0.0003 0.0016 -0.0060 80 GLY 47 CA 0.0001 0.0011 -0.0072 81 GLY 47 C 0.0005 0.0005 -0.0067 82 GLY 47 O 0.0011 -0.0004 -0.0073 83 VAL 48 N 0.0001 0.0010 -0.0057 84 VAL 48 CA 0.0004 0.0004 -0.0050 85 VAL 48 C -0.0000 0.0010 -0.0053 86 VAL 48 O -0.0007 0.0021 -0.0052 87 VAL 48 CB 0.0004 0.0002 -0.0035 88 VAL 48 CG1 0.0008 -0.0004 -0.0027 89 VAL 48 CG2 0.0009 -0.0005 -0.0032 90 VAL 49 N -0.0018 0.0014 -0.0074 91 VAL 49 CA -0.0021 0.0020 -0.0074 92 VAL 49 C -0.0023 0.0017 -0.0068 93 VAL 49 O -0.0020 0.0011 -0.0068 94 VAL 49 CB -0.0018 0.0023 -0.0081 95 VAL 49 CG1 -0.0021 0.0029 -0.0081 96 VAL 49 CG2 -0.0017 0.0028 -0.0087 97 HIS 50 N -0.0028 0.0021 -0.0062 98 HIS 50 CA -0.0030 0.0018 -0.0057 99 HIS 50 C -0.0035 0.0024 -0.0054 100 HIS 50 O -0.0039 0.0030 -0.0052 101 HIS 50 CB -0.0031 0.0012 -0.0050 102 HIS 50 CG -0.0035 0.0015 -0.0046 103 HIS 50 ND1 -0.0040 0.0017 -0.0039 104 HIS 50 CD2 -0.0035 0.0015 -0.0046 105 HIS 50 CE1 -0.0043 0.0019 -0.0036 106 HIS 50 NE2 -0.0040 0.0017 -0.0040 107 GLY 51 N -0.0035 0.0024 -0.0053 108 GLY 51 CA -0.0039 0.0029 -0.0050 109 GLY 51 C -0.0040 0.0036 -0.0056 110 GLY 51 O -0.0043 0.0043 -0.0056 111 VAL 52 N -0.0036 0.0036 -0.0062 112 VAL 52 CA -0.0035 0.0042 -0.0068 113 VAL 52 C -0.0035 0.0043 -0.0068 114 VAL 52 O -0.0033 0.0037 -0.0068 115 VAL 52 CB -0.0030 0.0041 -0.0075 116 VAL 52 CG1 -0.0030 0.0047 -0.0082 117 VAL 52 CG2 -0.0030 0.0041 -0.0075 118 ALA 53 N -0.0046 0.0070 -0.0066 119 ALA 53 CA -0.0047 0.0063 -0.0056 120 ALA 53 C -0.0047 0.0054 -0.0045 121 ALA 53 O -0.0040 0.0051 -0.0045 122 ALA 53 CB -0.0034 0.0060 -0.0059 123 THR 54 N -0.0056 0.0050 -0.0035 124 THR 54 CA -0.0058 0.0042 -0.0024 125 THR 54 C -0.0061 0.0036 -0.0014 126 THR 54 O -0.0070 0.0039 -0.0014 127 THR 54 CB -0.0070 0.0046 -0.0023 128 THR 54 OG1 -0.0067 0.0052 -0.0032 129 THR 54 CG2 -0.0073 0.0038 -0.0011 130 VAL 55 N -0.0054 0.0026 -0.0006 131 VAL 55 CA -0.0056 0.0019 0.0004 132 VAL 55 C -0.0058 0.0011 0.0015 133 VAL 55 O -0.0050 0.0008 0.0015 134 VAL 55 CB -0.0043 0.0014 0.0004 135 VAL 55 CG1 -0.0045 0.0006 0.0015 136 VAL 55 CG2 -0.0042 0.0022 -0.0007 137 ALA 56 N -0.0069 0.0009 0.0024 138 ALA 56 CA -0.0072 0.0002 0.0034 139 ALA 56 C -0.0076 -0.0005 0.0045 140 ALA 56 O -0.0086 -0.0002 0.0047 141 ALA 56 CB -0.0085 0.0007 0.0035 142 GLU 57 N -0.0045 -0.0048 0.0063 143 GLU 57 CA -0.0041 -0.0048 0.0052 144 GLU 57 C -0.0044 -0.0042 0.0036 145 GLU 57 O -0.0055 -0.0033 0.0033 146 GLU 57 CB -0.0049 -0.0043 0.0056 147 GLU 57 CG -0.0045 -0.0049 0.0070 148 GLU 57 CD -0.0053 -0.0044 0.0074 149 GLU 57 OE1 -0.0061 -0.0035 0.0066 150 GLU 57 OE2 -0.0050 -0.0048 0.0085 151 LYS 58 N -0.0034 -0.0048 0.0026 152 LYS 58 CA -0.0035 -0.0044 0.0011 153 LYS 58 C -0.0028 -0.0046 -0.0002 154 LYS 58 O -0.0017 -0.0055 -0.0004 155 LYS 58 CB -0.0030 -0.0048 0.0011 156 LYS 58 CG -0.0038 -0.0044 0.0022 157 LYS 58 CD -0.0032 -0.0048 0.0022 158 LYS 58 CE -0.0040 -0.0045 0.0033 159 LYS 58 NZ -0.0035 -0.0048 0.0032 160 THR 59 N -0.0035 -0.0039 -0.0012 161 THR 59 CA -0.0030 -0.0041 -0.0024 162 THR 59 C -0.0022 -0.0044 -0.0037 163 THR 59 O -0.0013 -0.0050 -0.0045 164 THR 59 CB -0.0040 -0.0032 -0.0030 165 THR 59 OG1 -0.0046 -0.0029 -0.0017 166 THR 59 CG2 -0.0034 -0.0034 -0.0042 167 LYS 60 N -0.0027 -0.0040 -0.0040 168 LYS 60 CA -0.0020 -0.0043 -0.0052 169 LYS 60 C -0.0023 -0.0041 -0.0048 170 LYS 60 O -0.0033 -0.0033 -0.0048 171 LYS 60 CB -0.0023 -0.0037 -0.0068 172 LYS 60 CG -0.0015 -0.0040 -0.0081 173 LYS 60 CD -0.0018 -0.0035 -0.0097 174 LYS 60 CE -0.0010 -0.0038 -0.0110 175 LYS 60 NZ -0.0012 -0.0033 -0.0126 176 GLU 61 N 0.0024 -0.0077 -0.0074 177 GLU 61 CA 0.0023 -0.0079 -0.0062 178 GLU 61 C 0.0042 -0.0083 -0.0077 179 GLU 61 O 0.0065 -0.0093 -0.0077 180 GLU 61 CB 0.0028 -0.0090 -0.0033 181 GLU 61 CG 0.0027 -0.0093 -0.0020 182 GLU 61 CD 0.0031 -0.0103 0.0008 183 GLU 61 OE1 0.0035 -0.0107 0.0018 184 GLU 61 OE2 0.0031 -0.0106 0.0021 185 GLN 62 N 0.0034 -0.0076 -0.0089 186 GLN 62 CA 0.0050 -0.0078 -0.0106 187 GLN 62 C 0.0045 -0.0079 -0.0097 188 GLN 62 O 0.0025 -0.0070 -0.0097 189 GLN 62 CB 0.0045 -0.0068 -0.0135 190 GLN 62 CG 0.0061 -0.0070 -0.0154 191 GLN 62 CD 0.0056 -0.0060 -0.0182 192 GLN 62 OE1 0.0040 -0.0052 -0.0187 193 GLN 62 NE2 0.0071 -0.0061 -0.0200 194 VAL 63 N 0.0065 -0.0090 -0.0090 195 VAL 63 CA 0.0064 -0.0091 -0.0081 196 VAL 63 C 0.0084 -0.0096 -0.0098 197 VAL 63 O 0.0106 -0.0107 -0.0093 198 VAL 63 CB 0.0066 -0.0101 -0.0052 199 VAL 63 CG1 0.0066 -0.0103 -0.0045 200 VAL 63 CG2 0.0046 -0.0097 -0.0036 201 THR 64 N 0.0078 -0.0087 -0.0118 202 THR 64 CA 0.0096 -0.0090 -0.0136 203 THR 64 C 0.0088 -0.0086 -0.0137 204 THR 64 O 0.0070 -0.0075 -0.0149 205 THR 64 CB 0.0098 -0.0083 -0.0163 206 THR 64 OG1 0.0076 -0.0070 -0.0175 207 THR 64 CG2 0.0102 -0.0085 -0.0163 208 ASN 65 N 0.0045 -0.0044 -0.0082 209 ASN 65 CA 0.0025 -0.0045 -0.0068 210 ASN 65 C 0.0013 -0.0042 -0.0057 211 ASN 65 O 0.0020 -0.0034 -0.0059 212 ASN 65 CB 0.0025 -0.0030 -0.0060 213 ASN 65 CG 0.0028 -0.0005 -0.0052 214 ASN 65 OD1 0.0026 0.0002 -0.0047 215 ASN 65 ND2 0.0034 0.0008 -0.0050 216 VAL 66 N -0.0006 -0.0049 -0.0047 217 VAL 66 CA -0.0019 -0.0042 -0.0034 218 VAL 66 C -0.0032 -0.0032 -0.0020 219 VAL 66 O -0.0038 -0.0038 -0.0019 220 VAL 66 CB -0.0031 -0.0061 -0.0035 221 VAL 66 CG1 -0.0018 -0.0075 -0.0051 222 VAL 66 CG2 -0.0049 -0.0075 -0.0028 223 GLY 67 N -0.0036 -0.0014 -0.0009 224 GLY 67 CA -0.0049 -0.0003 0.0006 225 GLY 67 C -0.0044 0.0008 0.0007 226 GLY 67 O -0.0054 0.0019 0.0019 227 GLY 68 N -0.0027 0.0007 -0.0006 228 GLY 68 CA -0.0022 0.0014 -0.0006 229 GLY 68 C -0.0002 0.0029 -0.0014 230 GLY 68 O 0.0009 0.0033 -0.0020 231 ALA 69 N -0.0007 0.0022 -0.0010 232 ALA 69 CA -0.0010 0.0027 -0.0021 233 ALA 69 C -0.0008 0.0020 -0.0032 234 ALA 69 O -0.0005 0.0011 -0.0034 235 ALA 69 CB -0.0011 0.0030 -0.0021 236 VAL 70 N -0.0010 0.0025 -0.0039 237 VAL 70 CA -0.0009 0.0018 -0.0050 238 VAL 70 C -0.0011 0.0024 -0.0061 239 VAL 70 O -0.0015 0.0034 -0.0062 240 VAL 70 CB -0.0008 0.0018 -0.0049 241 VAL 70 CG1 -0.0007 0.0012 -0.0060 242 VAL 70 CG2 -0.0005 0.0011 -0.0038 243 VAL 71 N -0.0009 0.0017 -0.0070 244 VAL 71 CA -0.0012 0.0020 -0.0082 245 VAL 71 C -0.0010 0.0015 -0.0091 246 VAL 71 O -0.0006 0.0005 -0.0091 247 VAL 71 CB -0.0010 0.0017 -0.0085 248 VAL 71 CG1 -0.0012 0.0020 -0.0098 249 VAL 71 CG2 -0.0012 0.0023 -0.0077 250 THR 72 N -0.0013 0.0022 -0.0097 251 THR 72 CA -0.0012 0.0018 -0.0106 252 THR 72 C -0.0015 0.0022 -0.0119 253 THR 72 O -0.0019 0.0032 -0.0121 254 THR 72 CB -0.0014 0.0022 -0.0103 255 THR 72 OG1 -0.0018 0.0034 -0.0103 256 THR 72 CG2 -0.0011 0.0019 -0.0091 257 GLY 73 N -0.0032 0.0039 -0.0165 258 GLY 73 CA -0.0034 0.0039 -0.0170 259 GLY 73 C -0.0033 0.0040 -0.0169 260 GLY 73 O -0.0033 0.0044 -0.0171 261 VAL 74 N -0.0033 0.0037 -0.0165 262 VAL 74 CA -0.0032 0.0037 -0.0165 263 VAL 74 C -0.0036 0.0034 -0.0168 264 VAL 74 O -0.0039 0.0030 -0.0170 265 VAL 74 CB -0.0030 0.0035 -0.0159 266 VAL 74 CG1 -0.0027 0.0037 -0.0155 267 VAL 74 CG2 -0.0032 0.0029 -0.0157 268 THR 75 N -0.0037 0.0035 -0.0170 269 THR 75 CA -0.0040 0.0033 -0.0174 270 THR 75 C -0.0040 0.0033 -0.0173 271 THR 75 O -0.0037 0.0036 -0.0172 272 THR 75 CB -0.0042 0.0036 -0.0180 273 THR 75 OG1 -0.0042 0.0037 -0.0180 274 THR 75 CG2 -0.0046 0.0034 -0.0184 275 ALA 76 N -0.0042 0.0028 -0.0173 276 ALA 76 CA -0.0042 0.0027 -0.0173 277 ALA 76 C -0.0039 0.0028 -0.0168 278 ALA 76 O -0.0037 0.0031 -0.0168 279 ALA 76 CB -0.0043 0.0031 -0.0178 280 VAL 77 N -0.0044 0.0026 -0.0148 281 VAL 77 CA -0.0040 0.0028 -0.0139 282 VAL 77 C -0.0042 0.0022 -0.0134 283 VAL 77 O -0.0046 0.0014 -0.0134 284 VAL 77 CB -0.0039 0.0028 -0.0134 285 VAL 77 CG1 -0.0034 0.0030 -0.0125 286 VAL 77 CG2 -0.0037 0.0034 -0.0140 287 ALA 78 N -0.0039 0.0025 -0.0130 288 ALA 78 CA -0.0041 0.0019 -0.0126 289 ALA 78 C -0.0036 0.0022 -0.0118 290 ALA 78 O -0.0034 0.0028 -0.0119 291 ALA 78 CB -0.0044 0.0018 -0.0133 292 GLN 79 N -0.0036 0.0019 -0.0110 293 GLN 79 CA -0.0032 0.0021 -0.0102 294 GLN 79 C -0.0034 0.0014 -0.0097 295 GLN 79 O -0.0038 0.0007 -0.0099 296 GLN 79 CB -0.0029 0.0023 -0.0096 297 GLN 79 CG -0.0031 0.0016 -0.0092 298 GLN 79 CD -0.0028 0.0019 -0.0086 299 GLN 79 OE1 -0.0023 0.0026 -0.0085 300 GLN 79 NE2 -0.0029 0.0013 -0.0082 301 LYS 80 N -0.0031 0.0017 -0.0091 302 LYS 80 CA -0.0032 0.0011 -0.0085 303 LYS 80 C -0.0027 0.0014 -0.0076 304 LYS 80 O -0.0023 0.0021 -0.0075 305 LYS 80 CB -0.0032 0.0011 -0.0087 306 LYS 80 CG -0.0034 0.0003 -0.0081 307 LYS 80 CD -0.0035 0.0003 -0.0083 308 LYS 80 CE -0.0037 -0.0004 -0.0076 309 LYS 80 NZ -0.0037 -0.0005 -0.0077 310 THR 81 N -0.0089 0.0020 -0.0073 311 THR 81 CA -0.0076 0.0020 -0.0061 312 THR 81 C -0.0068 -0.0002 -0.0068 313 THR 81 O -0.0059 -0.0017 -0.0070 314 THR 81 CB -0.0060 0.0027 -0.0043 315 THR 81 OG1 -0.0068 0.0048 -0.0037 316 THR 81 CG2 -0.0047 0.0028 -0.0031 317 VAL 82 N -0.0070 -0.0004 -0.0071 318 VAL 82 CA -0.0061 -0.0023 -0.0074 319 VAL 82 C -0.0044 -0.0020 -0.0058 320 VAL 82 O -0.0047 -0.0005 -0.0052 321 VAL 82 CB -0.0074 -0.0029 -0.0089 322 VAL 82 CG1 -0.0063 -0.0048 -0.0092 323 VAL 82 CG2 -0.0089 -0.0033 -0.0105 324 GLU 83 N -0.0027 -0.0034 -0.0051 325 GLU 83 CA -0.0010 -0.0034 -0.0036 326 GLU 83 C -0.0007 -0.0013 -0.0021 327 GLU 83 O -0.0006 -0.0001 -0.0013 328 GLU 83 CB -0.0009 -0.0040 -0.0040 329 GLU 83 CG -0.0009 -0.0063 -0.0053 330 GLU 83 CD -0.0008 -0.0069 -0.0055 331 GLU 83 OE1 -0.0008 -0.0055 -0.0048 332 GLU 83 OE2 -0.0006 -0.0087 -0.0065 333 GLY 84 N -0.0004 -0.0008 -0.0015 334 GLY 84 CA 0.0001 0.0010 0.0000 335 GLY 84 C 0.0003 0.0012 0.0003 336 GLY 84 O -0.0001 -0.0000 -0.0008 337 ALA 85 N -0.0011 0.0034 0.0016 338 ALA 85 CA -0.0014 0.0026 0.0011 339 ALA 85 C -0.0014 0.0035 -0.0001 340 ALA 85 O -0.0011 0.0047 0.0001 341 ALA 85 CB -0.0013 0.0022 0.0023 342 GLY 86 N -0.0017 0.0028 -0.0012 343 GLY 86 CA -0.0017 0.0035 -0.0024 344 GLY 86 C -0.0020 0.0027 -0.0029 345 GLY 86 O -0.0023 0.0016 -0.0035 346 SER 87 N -0.0018 0.0034 -0.0026 347 SER 87 CA -0.0020 0.0028 -0.0030 348 SER 87 C -0.0020 0.0038 -0.0042 349 SER 87 O -0.0017 0.0049 -0.0039 350 SER 87 CB -0.0018 0.0026 -0.0017 351 SER 87 OG -0.0019 0.0016 -0.0006 352 ILE 88 N -0.0023 0.0033 -0.0055 353 ILE 88 CA -0.0023 0.0042 -0.0068 354 ILE 88 C -0.0022 0.0046 -0.0069 355 ILE 88 O -0.0019 0.0058 -0.0068 356 ILE 88 CB -0.0026 0.0036 -0.0082 357 ILE 88 CG1 -0.0026 0.0037 -0.0081 358 ILE 88 CG2 -0.0026 0.0044 -0.0095 359 ILE 88 CD1 -0.0029 0.0030 -0.0093 360 ALA 89 N -0.0020 0.0007 -0.0054 361 ALA 89 CA -0.0020 0.0006 -0.0050 362 ALA 89 C -0.0018 0.0005 -0.0047 363 ALA 89 O -0.0015 0.0003 -0.0046 364 ALA 89 CB -0.0017 0.0005 -0.0049 365 ALA 90 N -0.0021 0.0006 -0.0046 366 ALA 90 CA -0.0020 0.0006 -0.0044 367 ALA 90 C -0.0021 0.0006 -0.0039 368 ALA 90 O -0.0024 0.0007 -0.0038 369 ALA 90 CB -0.0021 0.0007 -0.0046 370 ALA 91 N -0.0019 0.0005 -0.0036 371 ALA 91 CA -0.0021 0.0005 -0.0032 372 ALA 91 C -0.0019 0.0004 -0.0029 373 ALA 91 O -0.0016 0.0002 -0.0029 374 ALA 91 CB -0.0019 0.0004 -0.0030 375 THR 92 N -0.0022 0.0005 -0.0027 376 THR 92 CA -0.0021 0.0004 -0.0025 377 THR 92 C -0.0022 0.0005 -0.0020 378 THR 92 O -0.0025 0.0006 -0.0020 379 THR 92 CB -0.0022 0.0005 -0.0027 380 THR 92 OG1 -0.0027 0.0007 -0.0027 381 THR 92 CG2 -0.0021 0.0005 -0.0032 382 GLY 93 N -0.0011 0.0008 -0.0052 383 GLY 93 CA -0.0020 0.0011 -0.0021 384 GLY 93 C -0.0032 0.0015 -0.0015 385 GLY 93 O -0.0053 0.0023 0.0003 386 PHE 94 N -0.0021 0.0011 -0.0031 387 PHE 94 CA -0.0030 0.0015 -0.0028 388 PHE 94 C -0.0028 0.0014 -0.0059 389 PHE 94 O -0.0007 0.0007 -0.0076 390 PHE 94 CB -0.0011 0.0007 -0.0004 391 PHE 94 CG -0.0015 0.0008 0.0028 392 PHE 94 CD1 -0.0036 0.0015 0.0047 393 PHE 94 CD2 0.0002 0.0001 0.0041 394 PHE 94 CE1 -0.0040 0.0016 0.0077 395 PHE 94 CE2 -0.0002 0.0002 0.0071 396 PHE 94 CZ -0.0023 0.0010 0.0089 397 VAL 95 N -0.0050 0.0023 -0.0066 398 VAL 95 CA -0.0049 0.0023 -0.0093 399 VAL 95 C -0.0060 0.0027 -0.0083 400 VAL 95 O -0.0084 0.0036 -0.0071 401 VAL 95 CB -0.0068 0.0031 -0.0120 402 VAL 95 CG1 -0.0069 0.0032 -0.0146 403 VAL 95 CG2 -0.0056 0.0026 -0.0133 404 LYS 96 N -0.0042 0.0020 -0.0087 405 LYS 96 CA -0.0049 0.0023 -0.0078 406 LYS 96 C -0.0047 0.0023 -0.0105 407 LYS 96 O -0.0040 0.0021 -0.0131 408 LYS 96 CB -0.0029 0.0015 -0.0052 409 LYS 96 CG -0.0031 0.0015 -0.0022 410 LYS 96 CD -0.0058 0.0025 -0.0005 411 LYS 96 CE -0.0061 0.0025 0.0025 412 LYS 96 NZ -0.0040 0.0017 0.0048 413 LYS 97 N 0.0022 0.0084 -0.0138 414 LYS 97 CA 0.0035 0.0064 -0.0084 415 LYS 97 C 0.0057 0.0066 -0.0084 416 LYS 97 O 0.0085 0.0083 -0.0121 417 LYS 97 CB 0.0079 0.0057 -0.0057 418 LYS 97 CG 0.0092 0.0035 0.0001 419 LYS 97 CD 0.0041 0.0018 0.0034 420 LYS 97 CE 0.0055 -0.0004 0.0092 421 LYS 97 NZ 0.0100 -0.0009 0.0113 422 ASP 98 N 0.0042 0.0048 -0.0043 423 ASP 98 CA 0.0064 0.0047 -0.0035 424 ASP 98 C 0.0079 0.0025 0.0024 425 ASP 98 O 0.0074 0.0013 0.0054 426 ASP 98 CB 0.0020 0.0051 -0.0055 427 ASP 98 CG 0.0046 0.0057 -0.0065 428 ASP 98 OD1 0.0097 0.0058 -0.0054 429 ASP 98 OD2 0.0014 0.0062 -0.0083 430 GLN 99 N 0.0098 0.0020 0.0040 431 GLN 99 CA 0.0113 -0.0000 0.0095 432 GLN 99 C 0.0061 -0.0019 0.0129 433 GLN 99 O 0.0062 -0.0035 0.0170 434 GLN 99 CB 0.0142 0.0000 0.0100 435 GLN 99 CG 0.0161 -0.0020 0.0156 436 GLN 99 CD 0.0190 -0.0019 0.0159 437 GLN 99 OE1 0.0194 -0.0003 0.0119 438 GLN 99 NE2 0.0210 -0.0036 0.0206 439 VAL 37 N 0.0087 0.0023 -0.0109 440 VAL 37 CA 0.0095 0.0020 -0.0106 441 VAL 37 C 0.0097 0.0017 -0.0101 442 VAL 37 O 0.0105 0.0014 -0.0100 443 VAL 37 CB 0.0102 0.0022 -0.0113 444 VAL 37 CG1 0.0101 0.0023 -0.0116 445 VAL 37 CG2 0.0102 0.0026 -0.0120 446 LEU 38 N 0.0090 0.0017 -0.0098 447 LEU 38 CA 0.0091 0.0014 -0.0094 448 LEU 38 C 0.0094 0.0009 -0.0085 449 LEU 38 O 0.0101 0.0006 -0.0083 450 LEU 38 CB 0.0082 0.0016 -0.0093 451 LEU 38 CG 0.0080 0.0020 -0.0099 452 LEU 38 CD1 0.0086 0.0018 -0.0099 453 LEU 38 CD2 0.0080 0.0024 -0.0107 454 TYR 39 N 0.0090 0.0008 -0.0081 455 TYR 39 CA 0.0092 0.0003 -0.0073 456 TYR 39 C 0.0092 -0.0000 -0.0067 457 TYR 39 O 0.0099 -0.0004 -0.0064 458 TYR 39 CB 0.0101 0.0001 -0.0074 459 TYR 39 CG 0.0101 0.0003 -0.0078 460 TYR 39 CD1 0.0098 0.0002 -0.0074 461 TYR 39 CD2 0.0105 0.0007 -0.0086 462 TYR 39 CE1 0.0098 0.0004 -0.0078 463 TYR 39 CE2 0.0105 0.0009 -0.0090 464 TYR 39 CZ 0.0102 0.0008 -0.0086 465 TYR 39 OH 0.0102 0.0010 -0.0090 466 VAL 40 N 0.0084 0.0001 -0.0065 467 VAL 40 CA 0.0083 -0.0002 -0.0058 468 VAL 40 C 0.0083 -0.0007 -0.0050 469 VAL 40 O 0.0087 -0.0011 -0.0045 470 VAL 40 CB 0.0074 0.0000 -0.0059 471 VAL 40 CG1 0.0073 -0.0003 -0.0053 472 VAL 40 CG2 0.0075 0.0004 -0.0068 473 GLY 41 N 0.0064 0.0012 -0.0046 474 GLY 41 CA 0.0061 0.0017 -0.0036 475 GLY 41 C 0.0053 0.0017 -0.0021 476 GLY 41 O 0.0046 0.0012 -0.0014 477 SER 42 N 0.0054 0.0022 -0.0017 478 SER 42 CA 0.0046 0.0020 -0.0005 479 SER 42 C 0.0042 0.0026 0.0009 480 SER 42 O 0.0033 0.0020 0.0018 481 SER 42 CB 0.0049 0.0026 -0.0004 482 SER 42 OG 0.0042 0.0024 0.0008 483 LYS 43 N 0.0049 0.0038 0.0010 484 LYS 43 CA 0.0047 0.0043 0.0021 485 LYS 43 C 0.0056 0.0054 0.0016 486 LYS 43 O 0.0064 0.0064 0.0015 487 LYS 43 CB 0.0043 0.0049 0.0035 488 LYS 43 CG 0.0039 0.0053 0.0047 489 LYS 43 CD 0.0035 0.0059 0.0061 490 LYS 43 CE 0.0030 0.0061 0.0073 491 LYS 43 NZ 0.0038 0.0072 0.0072 492 THR 44 N 0.0056 0.0051 0.0015 493 THR 44 CA 0.0064 0.0061 0.0012 494 THR 44 C 0.0059 0.0064 0.0023 495 THR 44 O 0.0050 0.0055 0.0029 496 THR 44 CB 0.0069 0.0057 -0.0002 497 THR 44 OG1 0.0062 0.0045 -0.0003 498 THR 44 CG2 0.0073 0.0053 -0.0014 499 LYS 45 N -0.0006 0.0036 0.0005 500 LYS 45 CA -0.0005 0.0032 0.0000 501 LYS 45 C -0.0009 0.0035 -0.0008 502 LYS 45 O -0.0014 0.0041 -0.0008 503 LYS 45 CB -0.0004 0.0033 0.0006 504 LYS 45 CG -0.0002 0.0029 0.0002 505 LYS 45 CD -0.0000 0.0029 0.0008 506 LYS 45 CE 0.0003 0.0025 0.0004 507 LYS 45 NZ 0.0004 0.0025 0.0010 508 GLU 46 N -0.0008 0.0032 -0.0015 509 GLU 46 CA -0.0013 0.0035 -0.0023 510 GLU 46 C -0.0011 0.0030 -0.0032 511 GLU 46 O -0.0006 0.0024 -0.0034 512 GLU 46 CB -0.0015 0.0038 -0.0023 513 GLU 46 CG -0.0011 0.0033 -0.0022 514 GLU 46 CD -0.0013 0.0037 -0.0020 515 GLU 46 OE1 -0.0019 0.0043 -0.0020 516 GLU 46 OE2 -0.0010 0.0034 -0.0019 517 GLY 47 N -0.0014 0.0032 -0.0037 518 GLY 47 CA -0.0012 0.0027 -0.0045 519 GLY 47 C -0.0007 0.0023 -0.0043 520 GLY 47 O -0.0003 0.0016 -0.0047 521 VAL 48 N -0.0008 0.0025 -0.0038 522 VAL 48 CA -0.0003 0.0021 -0.0034 523 VAL 48 C -0.0006 0.0023 -0.0037 524 VAL 48 O -0.0011 0.0029 -0.0036 525 VAL 48 CB -0.0001 0.0022 -0.0024 526 VAL 48 CG1 0.0003 0.0017 -0.0020 527 VAL 48 CG2 0.0001 0.0020 -0.0021 528 VAL 49 N -0.0021 0.0019 -0.0053 529 VAL 49 CA -0.0023 0.0022 -0.0052 530 VAL 49 C -0.0023 0.0020 -0.0047 531 VAL 49 O -0.0022 0.0015 -0.0047 532 VAL 49 CB -0.0022 0.0023 -0.0056 533 VAL 49 CG1 -0.0023 0.0025 -0.0055 534 VAL 49 CG2 -0.0021 0.0026 -0.0060 535 HIS 50 N -0.0025 0.0022 -0.0043 536 HIS 50 CA -0.0026 0.0020 -0.0039 537 HIS 50 C -0.0028 0.0024 -0.0036 538 HIS 50 O -0.0029 0.0028 -0.0035 539 HIS 50 CB -0.0026 0.0017 -0.0035 540 HIS 50 CG -0.0028 0.0020 -0.0033 541 HIS 50 ND1 -0.0029 0.0022 -0.0028 542 HIS 50 CD2 -0.0028 0.0021 -0.0034 543 HIS 50 CE1 -0.0031 0.0024 -0.0026 544 HIS 50 NE2 -0.0029 0.0024 -0.0030 545 GLY 51 N -0.0027 0.0022 -0.0035 546 GLY 51 CA -0.0029 0.0025 -0.0033 547 GLY 51 C -0.0029 0.0029 -0.0036 548 GLY 51 O -0.0031 0.0034 -0.0035 549 VAL 52 N -0.0028 0.0027 -0.0039 550 VAL 52 CA -0.0028 0.0031 -0.0043 551 VAL 52 C -0.0028 0.0030 -0.0042 552 VAL 52 O -0.0026 0.0026 -0.0042 553 VAL 52 CB -0.0026 0.0030 -0.0048 554 VAL 52 CG1 -0.0026 0.0033 -0.0052 555 VAL 52 CG2 -0.0026 0.0032 -0.0049 556 ALA 53 N -0.0023 0.0035 -0.0047 557 ALA 53 CA -0.0024 0.0030 -0.0038 558 ALA 53 C -0.0023 0.0024 -0.0029 559 ALA 53 O -0.0016 0.0022 -0.0029 560 ALA 53 CB -0.0016 0.0028 -0.0039 561 THR 54 N -0.0031 0.0022 -0.0021 562 THR 54 CA -0.0031 0.0016 -0.0011 563 THR 54 C -0.0035 0.0012 -0.0002 564 THR 54 O -0.0043 0.0014 -0.0001 565 THR 54 CB -0.0040 0.0019 -0.0011 566 THR 54 OG1 -0.0037 0.0023 -0.0020 567 THR 54 CG2 -0.0041 0.0014 -0.0001 568 VAL 55 N -0.0028 0.0006 0.0005 569 VAL 55 CA -0.0030 0.0001 0.0015 570 VAL 55 C -0.0031 -0.0004 0.0024 571 VAL 55 O -0.0023 -0.0007 0.0024 572 VAL 55 CB -0.0021 -0.0003 0.0016 573 VAL 55 CG1 -0.0023 -0.0008 0.0026 574 VAL 55 CG2 -0.0021 0.0002 0.0008 575 ALA 56 N -0.0040 -0.0006 0.0031 576 ALA 56 CA -0.0041 -0.0011 0.0040 577 ALA 56 C -0.0044 -0.0015 0.0049 578 ALA 56 O -0.0054 -0.0013 0.0051 579 ALA 56 CB -0.0050 -0.0007 0.0039 580 GLU 57 N -0.0045 -0.0014 0.0058 581 GLU 57 CA -0.0043 -0.0016 0.0049 582 GLU 57 C -0.0046 -0.0013 0.0037 583 GLU 57 O -0.0055 -0.0006 0.0035 584 GLU 57 CB -0.0046 -0.0013 0.0052 585 GLU 57 CG -0.0042 -0.0016 0.0063 586 GLU 57 CD -0.0046 -0.0013 0.0066 587 GLU 57 OE1 -0.0053 -0.0008 0.0060 588 GLU 57 OE2 -0.0042 -0.0016 0.0074 589 LYS 58 N -0.0040 -0.0018 0.0029 590 LYS 58 CA -0.0042 -0.0015 0.0017 591 LYS 58 C -0.0037 -0.0019 0.0007 592 LYS 58 O -0.0029 -0.0026 0.0005 593 LYS 58 CB -0.0040 -0.0017 0.0017 594 LYS 58 CG -0.0046 -0.0013 0.0026 595 LYS 58 CD -0.0044 -0.0015 0.0026 596 LYS 58 CE -0.0050 -0.0010 0.0035 597 LYS 58 NZ -0.0048 -0.0011 0.0034 598 THR 59 N -0.0043 -0.0015 -0.0001 599 THR 59 CA -0.0038 -0.0018 -0.0010 600 THR 59 C -0.0035 -0.0021 -0.0021 601 THR 59 O -0.0027 -0.0027 -0.0026 602 THR 59 CB -0.0045 -0.0013 -0.0015 603 THR 59 OG1 -0.0049 -0.0010 -0.0005 604 THR 59 CG2 -0.0041 -0.0016 -0.0024 605 LYS 60 N -0.0039 -0.0017 -0.0023 606 LYS 60 CA -0.0036 -0.0020 -0.0032 607 LYS 60 C -0.0039 -0.0017 -0.0029 608 LYS 60 O -0.0048 -0.0011 -0.0029 609 LYS 60 CB -0.0039 -0.0017 -0.0045 610 LYS 60 CG -0.0035 -0.0021 -0.0055 611 LYS 60 CD -0.0038 -0.0018 -0.0067 612 LYS 60 CE -0.0033 -0.0022 -0.0078 613 LYS 60 NZ -0.0036 -0.0019 -0.0090 614 GLU 61 N -0.0033 -0.0026 -0.0050 615 GLU 61 CA -0.0034 -0.0028 -0.0043 616 GLU 61 C -0.0023 -0.0031 -0.0054 617 GLU 61 O -0.0009 -0.0038 -0.0054 618 GLU 61 CB -0.0031 -0.0034 -0.0025 619 GLU 61 CG -0.0032 -0.0035 -0.0017 620 GLU 61 CD -0.0029 -0.0041 0.0001 621 GLU 61 OE1 -0.0027 -0.0044 0.0008 622 GLU 61 OE2 -0.0030 -0.0043 0.0009 623 GLN 62 N -0.0028 -0.0026 -0.0063 624 GLN 62 CA -0.0019 -0.0028 -0.0074 625 GLN 62 C -0.0022 -0.0027 -0.0070 626 GLN 62 O -0.0035 -0.0021 -0.0070 627 GLN 62 CB -0.0022 -0.0021 -0.0093 628 GLN 62 CG -0.0012 -0.0023 -0.0106 629 GLN 62 CD -0.0015 -0.0017 -0.0124 630 GLN 62 OE1 -0.0025 -0.0011 -0.0126 631 GLN 62 NE2 -0.0006 -0.0019 -0.0136 632 VAL 63 N -0.0010 -0.0035 -0.0066 633 VAL 63 CA -0.0011 -0.0035 -0.0061 634 VAL 63 C 0.0002 -0.0039 -0.0072 635 VAL 63 O 0.0015 -0.0047 -0.0069 636 VAL 63 CB -0.0009 -0.0041 -0.0042 637 VAL 63 CG1 -0.0010 -0.0041 -0.0038 638 VAL 63 CG2 -0.0021 -0.0037 -0.0031 639 THR 64 N -0.0003 -0.0033 -0.0086 640 THR 64 CA 0.0008 -0.0036 -0.0098 641 THR 64 C 0.0003 -0.0032 -0.0100 642 THR 64 O -0.0008 -0.0025 -0.0108 643 THR 64 CB 0.0010 -0.0032 -0.0116 644 THR 64 OG1 -0.0004 -0.0023 -0.0123 645 THR 64 CG2 0.0013 -0.0034 -0.0114 646 ASN 65 N 0.0007 -0.0033 -0.0046 647 ASN 65 CA 0.0000 -0.0035 -0.0038 648 ASN 65 C -0.0002 -0.0032 -0.0031 649 ASN 65 O 0.0003 -0.0026 -0.0032 650 ASN 65 CB -0.0001 -0.0032 -0.0033 651 ASN 65 CG 0.0003 -0.0022 -0.0028 652 ASN 65 OD1 0.0004 -0.0017 -0.0025 653 ASN 65 ND2 0.0004 -0.0019 -0.0027 654 VAL 66 N -0.0008 -0.0036 -0.0025 655 VAL 66 CA -0.0011 -0.0032 -0.0017 656 VAL 66 C -0.0016 -0.0031 -0.0008 657 VAL 66 O -0.0019 -0.0036 -0.0008 658 VAL 66 CB -0.0014 -0.0038 -0.0018 659 VAL 66 CG1 -0.0010 -0.0041 -0.0027 660 VAL 66 CG2 -0.0022 -0.0046 -0.0013 661 GLY 67 N -0.0015 -0.0023 -0.0002 662 GLY 67 CA -0.0019 -0.0021 0.0007 663 GLY 67 C -0.0019 -0.0020 0.0008 664 GLY 67 O -0.0022 -0.0018 0.0015 665 GLY 68 N -0.0014 -0.0021 -0.0000 666 GLY 68 CA -0.0014 -0.0021 -0.0000 667 GLY 68 C -0.0007 -0.0014 -0.0005 668 GLY 68 O -0.0002 -0.0010 -0.0008 669 ALA 69 N -0.0008 -0.0002 -0.0000 670 ALA 69 CA -0.0010 0.0001 -0.0008 671 ALA 69 C -0.0012 -0.0005 -0.0017 672 ALA 69 O -0.0011 -0.0014 -0.0017 673 ALA 69 CB -0.0010 0.0000 -0.0006 674 VAL 70 N -0.0015 -0.0001 -0.0024 675 VAL 70 CA -0.0017 -0.0006 -0.0032 676 VAL 70 C -0.0020 -0.0003 -0.0040 677 VAL 70 O -0.0021 0.0006 -0.0042 678 VAL 70 CB -0.0017 -0.0004 -0.0034 679 VAL 70 CG1 -0.0020 -0.0008 -0.0043 680 VAL 70 CG2 -0.0015 -0.0008 -0.0026 681 VAL 71 N -0.0020 -0.0010 -0.0046 682 VAL 71 CA -0.0023 -0.0008 -0.0054 683 VAL 71 C -0.0025 -0.0011 -0.0063 684 VAL 71 O -0.0024 -0.0020 -0.0063 685 VAL 71 CB -0.0022 -0.0013 -0.0055 686 VAL 71 CG1 -0.0025 -0.0012 -0.0064 687 VAL 71 CG2 -0.0021 -0.0009 -0.0047 688 THR 72 N -0.0028 -0.0005 -0.0069 689 THR 72 CA -0.0030 -0.0008 -0.0077 690 THR 72 C -0.0033 -0.0006 -0.0086 691 THR 72 O -0.0035 0.0002 -0.0088 692 THR 72 CB -0.0031 -0.0002 -0.0076 693 THR 72 OG1 -0.0032 0.0008 -0.0077 694 THR 72 CG2 -0.0028 -0.0003 -0.0068 695 GLY 73 N -0.0045 0.0009 -0.0123 696 GLY 73 CA -0.0044 0.0010 -0.0126 697 GLY 73 C -0.0044 0.0014 -0.0127 698 GLY 73 O -0.0043 0.0016 -0.0129 699 VAL 74 N -0.0044 0.0015 -0.0127 700 VAL 74 CA -0.0044 0.0018 -0.0128 701 VAL 74 C -0.0042 0.0017 -0.0132 702 VAL 74 O -0.0041 0.0014 -0.0132 703 VAL 74 CB -0.0045 0.0019 -0.0126 704 VAL 74 CG1 -0.0047 0.0019 -0.0122 705 VAL 74 CG2 -0.0045 0.0017 -0.0126 706 THR 75 N -0.0041 0.0020 -0.0134 707 THR 75 CA -0.0040 0.0019 -0.0137 708 THR 75 C -0.0039 0.0022 -0.0139 709 THR 75 O -0.0040 0.0026 -0.0138 710 THR 75 CB -0.0039 0.0019 -0.0140 711 THR 75 OG1 -0.0039 0.0016 -0.0138 712 THR 75 CG2 -0.0037 0.0018 -0.0143 713 ALA 76 N -0.0039 0.0022 -0.0140 714 ALA 76 CA -0.0038 0.0024 -0.0142 715 ALA 76 C -0.0039 0.0027 -0.0140 716 ALA 76 O -0.0039 0.0031 -0.0141 717 ALA 76 CB -0.0037 0.0026 -0.0145 718 VAL 77 N -0.0047 0.0011 -0.0126 719 VAL 77 CA -0.0044 0.0013 -0.0118 720 VAL 77 C -0.0046 0.0009 -0.0113 721 VAL 77 O -0.0051 0.0003 -0.0112 722 VAL 77 CB -0.0044 0.0013 -0.0115 723 VAL 77 CG1 -0.0040 0.0015 -0.0107 724 VAL 77 CG2 -0.0042 0.0017 -0.0121 725 ALA 78 N -0.0043 0.0012 -0.0108 726 ALA 78 CA -0.0045 0.0008 -0.0103 727 ALA 78 C -0.0041 0.0012 -0.0096 728 ALA 78 O -0.0037 0.0016 -0.0097 729 ALA 78 CB -0.0046 0.0008 -0.0108 730 GLN 79 N -0.0042 0.0009 -0.0089 731 GLN 79 CA -0.0038 0.0011 -0.0082 732 GLN 79 C -0.0041 0.0007 -0.0076 733 GLN 79 O -0.0045 0.0001 -0.0077 734 GLN 79 CB -0.0036 0.0013 -0.0077 735 GLN 79 CG -0.0040 0.0007 -0.0074 736 GLN 79 CD -0.0038 0.0009 -0.0070 737 GLN 79 OE1 -0.0033 0.0014 -0.0069 738 GLN 79 NE2 -0.0041 0.0004 -0.0067 739 LYS 80 N -0.0037 0.0009 -0.0070 740 LYS 80 CA -0.0039 0.0005 -0.0064 741 LYS 80 C -0.0036 0.0008 -0.0056 742 LYS 80 O -0.0031 0.0013 -0.0056 743 LYS 80 CB -0.0039 0.0006 -0.0064 744 LYS 80 CG -0.0042 0.0001 -0.0058 745 LYS 80 CD -0.0041 0.0001 -0.0058 746 LYS 80 CE -0.0044 -0.0004 -0.0051 747 LYS 80 NZ -0.0044 -0.0003 -0.0050 748 THR 81 N -0.0065 -0.0014 -0.0048 749 THR 81 CA -0.0050 -0.0016 -0.0042 750 THR 81 C -0.0043 -0.0036 -0.0045 751 THR 81 O -0.0040 -0.0046 -0.0046 752 THR 81 CB -0.0035 -0.0006 -0.0032 753 THR 81 OG1 -0.0041 0.0013 -0.0029 754 THR 81 CG2 -0.0020 -0.0008 -0.0025 755 VAL 82 N -0.0043 -0.0043 -0.0047 756 VAL 82 CA -0.0035 -0.0061 -0.0048 757 VAL 82 C -0.0017 -0.0059 -0.0040 758 VAL 82 O -0.0016 -0.0050 -0.0036 759 VAL 82 CB -0.0046 -0.0070 -0.0057 760 VAL 82 CG1 -0.0036 -0.0088 -0.0058 761 VAL 82 CG2 -0.0063 -0.0073 -0.0065 762 GLU 83 N -0.0004 -0.0068 -0.0036 763 GLU 83 CA 0.0014 -0.0068 -0.0028 764 GLU 83 C 0.0020 -0.0049 -0.0019 765 GLU 83 O 0.0024 -0.0043 -0.0015 766 GLU 83 CB 0.0018 -0.0079 -0.0029 767 GLU 83 CG 0.0016 -0.0099 -0.0037 768 GLU 83 CD 0.0020 -0.0109 -0.0038 769 GLU 83 OE1 0.0023 -0.0100 -0.0034 770 GLU 83 OE2 0.0019 -0.0126 -0.0043 771 GLY 84 N 0.0020 -0.0040 -0.0017 772 GLY 84 CA 0.0026 -0.0023 -0.0008 773 GLY 84 C 0.0025 -0.0016 -0.0007 774 GLY 84 O 0.0018 -0.0024 -0.0013 775 ALA 85 N -0.0005 -0.0010 0.0010 776 ALA 85 CA -0.0007 -0.0012 0.0006 777 ALA 85 C -0.0009 -0.0005 -0.0000 778 ALA 85 O -0.0006 0.0003 0.0001 779 ALA 85 CB -0.0004 -0.0014 0.0014 780 GLY 86 N -0.0013 -0.0008 -0.0007 781 GLY 86 CA -0.0014 -0.0002 -0.0014 782 GLY 86 C -0.0016 -0.0004 -0.0017 783 GLY 86 O -0.0020 -0.0011 -0.0021 784 SER 87 N -0.0014 0.0002 -0.0015 785 SER 87 CA -0.0015 0.0001 -0.0018 786 SER 87 C -0.0017 0.0008 -0.0025 787 SER 87 O -0.0014 0.0016 -0.0023 788 SER 87 CB -0.0012 0.0001 -0.0011 789 SER 87 OG -0.0011 -0.0006 -0.0004 790 ILE 88 N -0.0021 0.0006 -0.0033 791 ILE 88 CA -0.0023 0.0012 -0.0040 792 ILE 88 C -0.0022 0.0017 -0.0041 793 ILE 88 O -0.0020 0.0026 -0.0041 794 ILE 88 CB -0.0028 0.0008 -0.0049 795 ILE 88 CG1 -0.0028 0.0006 -0.0048 796 ILE 88 CG2 -0.0030 0.0015 -0.0057 797 ILE 88 CD1 -0.0033 0.0001 -0.0055 798 ALA 89 N -0.0020 -0.0030 -0.0028 799 ALA 89 CA -0.0020 -0.0028 -0.0024 800 ALA 89 C -0.0016 -0.0028 -0.0023 801 ALA 89 O -0.0013 -0.0028 -0.0022 802 ALA 89 CB -0.0019 -0.0027 -0.0023 803 ALA 90 N -0.0017 -0.0028 -0.0023 804 ALA 90 CA -0.0014 -0.0028 -0.0021 805 ALA 90 C -0.0014 -0.0026 -0.0018 806 ALA 90 O -0.0017 -0.0025 -0.0017 807 ALA 90 CB -0.0014 -0.0029 -0.0024 808 ALA 91 N -0.0011 -0.0026 -0.0016 809 ALA 91 CA -0.0011 -0.0024 -0.0013 810 ALA 91 C -0.0008 -0.0024 -0.0012 811 ALA 91 O -0.0005 -0.0025 -0.0012 812 ALA 91 CB -0.0011 -0.0023 -0.0010 813 THR 92 N -0.0009 -0.0024 -0.0011 814 THR 92 CA -0.0006 -0.0024 -0.0010 815 THR 92 C -0.0006 -0.0022 -0.0006 816 THR 92 O -0.0009 -0.0021 -0.0005 817 THR 92 CB -0.0006 -0.0025 -0.0012 818 THR 92 OG1 -0.0009 -0.0024 -0.0012 819 THR 92 CG2 -0.0006 -0.0027 -0.0016 820 GLY 93 N 0.0041 -0.0043 -0.0025 821 GLY 93 CA 0.0037 -0.0039 -0.0006 822 GLY 93 C 0.0032 -0.0038 -0.0008 823 GLY 93 O 0.0019 -0.0035 0.0003 824 PHE 94 N 0.0042 -0.0042 -0.0022 825 PHE 94 CA 0.0040 -0.0043 -0.0025 826 PHE 94 C 0.0042 -0.0047 -0.0048 827 PHE 94 O 0.0056 -0.0050 -0.0058 828 PHE 94 CB 0.0057 -0.0042 -0.0013 829 PHE 94 CG 0.0054 -0.0038 0.0009 830 PHE 94 CD1 0.0042 -0.0035 0.0019 831 PHE 94 CD2 0.0064 -0.0036 0.0021 832 PHE 94 CE1 0.0040 -0.0031 0.0039 833 PHE 94 CE2 0.0061 -0.0032 0.0042 834 PHE 94 CZ 0.0049 -0.0030 0.0051 835 VAL 95 N 0.0029 -0.0047 -0.0056 836 VAL 95 CA 0.0030 -0.0051 -0.0077 837 VAL 95 C 0.0027 -0.0050 -0.0076 838 VAL 95 O 0.0011 -0.0047 -0.0069 839 VAL 95 CB 0.0015 -0.0052 -0.0092 840 VAL 95 CG1 0.0015 -0.0056 -0.0112 841 VAL 95 CG2 0.0019 -0.0053 -0.0094 842 LYS 96 N 0.0043 -0.0053 -0.0082 843 LYS 96 CA 0.0042 -0.0053 -0.0082 844 LYS 96 C 0.0044 -0.0057 -0.0103 845 LYS 96 O 0.0047 -0.0060 -0.0118 846 LYS 96 CB 0.0059 -0.0052 -0.0067 847 LYS 96 CG 0.0056 -0.0048 -0.0045 848 LYS 96 CD 0.0039 -0.0044 -0.0036 849 LYS 96 CE 0.0036 -0.0040 -0.0013 850 LYS 96 NZ 0.0054 -0.0039 -0.0000 851 LYS 97 N 0.0025 -0.0043 -0.0092 852 LYS 97 CA 0.0010 -0.0006 -0.0070 853 LYS 97 C -0.0030 -0.0010 -0.0043 854 LYS 97 O -0.0041 -0.0027 -0.0042 855 LYS 97 CB 0.0034 0.0037 -0.0072 856 LYS 97 CG 0.0023 0.0078 -0.0051 857 LYS 97 CD 0.0032 0.0083 -0.0056 858 LYS 97 CE 0.0020 0.0123 -0.0034 859 LYS 97 NZ 0.0042 0.0163 -0.0036 860 ASP 98 N -0.0053 0.0004 -0.0023 861 ASP 98 CA -0.0092 0.0006 0.0005 862 ASP 98 C -0.0100 0.0050 0.0024 863 ASP 98 O -0.0074 0.0076 0.0015 864 ASP 98 CB -0.0118 -0.0033 0.0010 865 ASP 98 CG -0.0157 -0.0041 0.0034 866 ASP 98 OD1 -0.0164 -0.0016 0.0047 867 ASP 98 OD2 -0.0180 -0.0073 0.0039 868 GLN 99 N -0.0134 0.0057 0.0051 869 GLN 99 CA -0.0146 0.0097 0.0072 870 GLN 99 C -0.0145 0.0100 0.0072 871 GLN 99 O -0.0129 0.0133 0.0072 872 GLN 99 CB -0.0185 0.0099 0.0100 873 GLN 99 CG -0.0199 0.0141 0.0123 874 GLN 99 CD -0.0237 0.0142 0.0150 875 GLN 99 OE1 -0.0255 0.0112 0.0152 876 GLN 99 NE2 -0.0251 0.0178 0.0171 877 VAL 37 N 0.0067 -0.0003 -0.0053 878 VAL 37 CA 0.0069 -0.0010 -0.0057 879 VAL 37 C 0.0067 -0.0016 -0.0050 880 VAL 37 O 0.0068 -0.0024 -0.0051 881 VAL 37 CB 0.0071 -0.0012 -0.0063 882 VAL 37 CG1 0.0073 -0.0007 -0.0070 883 VAL 37 CG2 0.0070 -0.0011 -0.0060 884 LEU 38 N 0.0064 -0.0014 -0.0043 885 LEU 38 CA 0.0063 -0.0019 -0.0036 886 LEU 38 C 0.0063 -0.0024 -0.0037 887 LEU 38 O 0.0063 -0.0032 -0.0036 888 LEU 38 CB 0.0060 -0.0014 -0.0029 889 LEU 38 CG 0.0058 -0.0012 -0.0024 890 LEU 38 CD1 0.0057 -0.0019 -0.0020 891 LEU 38 CD2 0.0060 -0.0007 -0.0029 892 TYR 39 N 0.0063 -0.0020 -0.0039 893 TYR 39 CA 0.0064 -0.0024 -0.0040 894 TYR 39 C 0.0062 -0.0029 -0.0033 895 TYR 39 O 0.0063 -0.0036 -0.0033 896 TYR 39 CB 0.0067 -0.0029 -0.0048 897 TYR 39 CG 0.0069 -0.0025 -0.0055 898 TYR 39 CD1 0.0070 -0.0021 -0.0059 899 TYR 39 CD2 0.0070 -0.0024 -0.0059 900 TYR 39 CE1 0.0072 -0.0017 -0.0066 901 TYR 39 CE2 0.0072 -0.0020 -0.0066 902 TYR 39 CZ 0.0073 -0.0016 -0.0070 903 TYR 39 OH 0.0075 -0.0012 -0.0077 904 VAL 40 N 0.0060 -0.0024 -0.0027 905 VAL 40 CA 0.0058 -0.0028 -0.0019 906 VAL 40 C 0.0058 -0.0031 -0.0020 907 VAL 40 O 0.0058 -0.0037 -0.0018 908 VAL 40 CB 0.0055 -0.0023 -0.0012 909 VAL 40 CG1 0.0053 -0.0027 -0.0005 910 VAL 40 CG2 0.0055 -0.0021 -0.0011 911 GLY 41 N 0.0066 -0.0002 -0.0010 912 GLY 41 CA 0.0062 0.0011 -0.0003 913 GLY 41 C 0.0048 0.0013 -0.0001 914 GLY 41 O 0.0040 0.0019 0.0002 915 SER 42 N 0.0045 0.0009 -0.0003 916 SER 42 CA 0.0031 0.0008 -0.0003 917 SER 42 C 0.0025 0.0021 0.0004 918 SER 42 O 0.0013 0.0022 0.0006 919 SER 42 CB 0.0031 0.0002 -0.0007 920 SER 42 OG 0.0017 0.0001 -0.0006 921 LYS 43 N 0.0033 0.0029 0.0008 922 LYS 43 CA 0.0030 0.0042 0.0016 923 LYS 43 C 0.0043 0.0049 0.0019 924 LYS 43 O 0.0050 0.0048 0.0018 925 LYS 43 CB 0.0020 0.0045 0.0018 926 LYS 43 CG 0.0015 0.0058 0.0025 927 LYS 43 CD 0.0005 0.0061 0.0027 928 LYS 43 CE -0.0001 0.0073 0.0034 929 LYS 43 NZ 0.0009 0.0083 0.0039 930 THR 44 N 0.0046 0.0056 0.0023 931 THR 44 CA 0.0057 0.0064 0.0027 932 THR 44 C 0.0052 0.0077 0.0034 933 THR 44 O 0.0042 0.0078 0.0035 934 THR 44 CB 0.0069 0.0061 0.0024 935 THR 44 OG1 0.0063 0.0062 0.0025 936 THR 44 CG2 0.0074 0.0049 0.0017 937 LYS 45 N 0.0000 0.0047 0.0021 938 LYS 45 CA 0.0001 0.0044 0.0018 939 LYS 45 C -0.0002 0.0046 0.0012 940 LYS 45 O -0.0006 0.0049 0.0012 941 LYS 45 CB 0.0002 0.0045 0.0020 942 LYS 45 CG 0.0004 0.0041 0.0017 943 LYS 45 CD 0.0006 0.0041 0.0020 944 LYS 45 CE 0.0008 0.0038 0.0016 945 LYS 45 NZ 0.0010 0.0038 0.0020 946 GLU 46 N -0.0002 0.0043 0.0008 947 GLU 46 CA -0.0006 0.0045 0.0003 948 GLU 46 C -0.0004 0.0041 -0.0003 949 GLU 46 O -0.0001 0.0038 -0.0003 950 GLU 46 CB -0.0008 0.0047 0.0004 951 GLU 46 CG -0.0005 0.0045 0.0006 952 GLU 46 CD -0.0007 0.0048 0.0008 953 GLU 46 OE1 -0.0011 0.0052 0.0008 954 GLU 46 OE2 -0.0005 0.0047 0.0009 955 GLY 47 N -0.0007 0.0042 -0.0006 956 GLY 47 CA -0.0005 0.0039 -0.0012 957 GLY 47 C -0.0002 0.0036 -0.0012 958 GLY 47 O 0.0001 0.0032 -0.0014 959 VAL 48 N -0.0002 0.0037 -0.0009 960 VAL 48 CA 0.0002 0.0034 -0.0007 961 VAL 48 C 0.0000 0.0034 -0.0010 962 VAL 48 O -0.0003 0.0038 -0.0009 963 VAL 48 CB 0.0004 0.0035 -0.0001 964 VAL 48 CG1 0.0008 0.0032 0.0001 965 VAL 48 CG2 0.0005 0.0035 0.0002 966 VAL 49 N -0.0010 0.0023 -0.0024 967 VAL 49 CA -0.0009 0.0023 -0.0021 968 VAL 49 C -0.0007 0.0019 -0.0016 969 VAL 49 O -0.0007 0.0014 -0.0016 970 VAL 49 CB -0.0010 0.0020 -0.0025 971 VAL 49 CG1 -0.0009 0.0020 -0.0023 972 VAL 49 CG2 -0.0012 0.0024 -0.0030 973 HIS 50 N -0.0005 0.0022 -0.0012 974 HIS 50 CA -0.0004 0.0019 -0.0007 975 HIS 50 C -0.0002 0.0021 -0.0003 976 HIS 50 O -0.0002 0.0026 -0.0002 977 HIS 50 CB -0.0003 0.0019 -0.0004 978 HIS 50 CG -0.0002 0.0025 -0.0002 979 HIS 50 ND1 -0.0000 0.0026 0.0003 980 HIS 50 CD2 -0.0003 0.0029 -0.0004 981 HIS 50 CE1 0.0000 0.0031 0.0004 982 HIS 50 NE2 -0.0002 0.0033 -0.0000 983 GLY 51 N -0.0001 0.0016 -0.0001 984 GLY 51 CA 0.0000 0.0017 0.0003 985 GLY 51 C -0.0001 0.0019 0.0001 986 GLY 51 O -0.0001 0.0023 0.0001 987 VAL 52 N -0.0002 0.0015 -0.0002 988 VAL 52 CA -0.0003 0.0015 -0.0005 989 VAL 52 C -0.0002 0.0011 -0.0003 990 VAL 52 O -0.0002 0.0006 -0.0003 991 VAL 52 CB -0.0005 0.0015 -0.0011 992 VAL 52 CG1 -0.0006 0.0015 -0.0014 993 VAL 52 CG2 -0.0006 0.0019 -0.0013 994 ALA 53 N -0.0004 0.0011 -0.0012 995 ALA 53 CA -0.0005 0.0008 -0.0006 996 ALA 53 C -0.0004 0.0005 -0.0000 997 ALA 53 O 0.0001 0.0004 -0.0001 998 ALA 53 CB -0.0000 0.0007 -0.0006 999 THR 54 N -0.0008 0.0003 0.0005 1000 THR 54 CA -0.0008 0.0001 0.0010 1001 THR 54 C -0.0011 -0.0002 0.0016 1002 THR 54 O -0.0016 -0.0001 0.0017 1003 THR 54 CB -0.0013 0.0002 0.0009 1004 THR 54 OG1 -0.0011 0.0005 0.0003 1005 THR 54 CG2 -0.0013 -0.0000 0.0015 1006 VAL 55 N -0.0006 -0.0005 0.0021 1007 VAL 55 CA -0.0008 -0.0007 0.0027 1008 VAL 55 C -0.0008 -0.0010 0.0032 1009 VAL 55 O -0.0003 -0.0011 0.0032 1010 VAL 55 CB -0.0003 -0.0009 0.0029 1011 VAL 55 CG1 -0.0004 -0.0012 0.0035 1012 VAL 55 CG2 -0.0004 -0.0007 0.0024 1013 ALA 56 N -0.0013 -0.0011 0.0036 1014 ALA 56 CA -0.0014 -0.0013 0.0041 1015 ALA 56 C -0.0016 -0.0016 0.0048 1016 ALA 56 O -0.0022 -0.0015 0.0049 1017 ALA 56 CB -0.0019 -0.0012 0.0040 1018 GLU 57 N -0.0034 0.0012 0.0051 1019 GLU 57 CA -0.0032 0.0009 0.0045 1020 GLU 57 C -0.0036 0.0010 0.0038 1021 GLU 57 O -0.0041 0.0015 0.0037 1022 GLU 57 CB -0.0033 0.0011 0.0048 1023 GLU 57 CG -0.0029 0.0009 0.0055 1024 GLU 57 CD -0.0030 0.0010 0.0057 1025 GLU 57 OE1 -0.0034 0.0013 0.0053 1026 GLU 57 OE2 -0.0027 0.0009 0.0062 1027 LYS 58 N -0.0033 0.0007 0.0033 1028 LYS 58 CA -0.0036 0.0007 0.0025 1029 LYS 58 C -0.0033 0.0003 0.0019 1030 LYS 58 O -0.0028 -0.0001 0.0018 1031 LYS 58 CB -0.0036 0.0007 0.0025 1032 LYS 58 CG -0.0040 0.0012 0.0030 1033 LYS 58 CD -0.0040 0.0012 0.0030 1034 LYS 58 CE -0.0043 0.0016 0.0035 1035 LYS 58 NZ -0.0043 0.0016 0.0035 1036 THR 59 N -0.0036 0.0005 0.0015 1037 THR 59 CA -0.0034 0.0001 0.0009 1038 THR 59 C -0.0033 -0.0001 0.0002 1039 THR 59 O -0.0029 -0.0005 -0.0001 1040 THR 59 CB -0.0037 0.0004 0.0006 1041 THR 59 OG1 -0.0038 0.0006 0.0013 1042 THR 59 CG2 -0.0035 -0.0000 0.0001 1043 LYS 60 N -0.0037 0.0002 0.0001 1044 LYS 60 CA -0.0037 0.0000 -0.0005 1045 LYS 60 C -0.0040 0.0003 -0.0004 1046 LYS 60 O -0.0045 0.0008 -0.0003 1047 LYS 60 CB -0.0039 0.0000 -0.0013 1048 LYS 60 CG -0.0038 -0.0002 -0.0019 1049 LYS 60 CD -0.0040 -0.0002 -0.0027 1050 LYS 60 CE -0.0039 -0.0005 -0.0033 1051 LYS 60 NZ -0.0041 -0.0005 -0.0041 1052 GLU 61 N -0.0062 0.0017 -0.0022 1053 GLU 61 CA -0.0061 0.0014 -0.0018 1054 GLU 61 C -0.0053 0.0013 -0.0025 1055 GLU 61 O -0.0045 0.0009 -0.0025 1056 GLU 61 CB -0.0060 0.0009 -0.0008 1057 GLU 61 CG -0.0060 0.0006 -0.0004 1058 GLU 61 CD -0.0059 0.0001 0.0006 1059 GLU 61 OE1 -0.0059 -0.0001 0.0010 1060 GLU 61 OE2 -0.0058 -0.0001 0.0010 1061 GLN 62 N -0.0054 0.0016 -0.0029 1062 GLN 62 CA -0.0047 0.0015 -0.0036 1063 GLN 62 C -0.0047 0.0014 -0.0034 1064 GLN 62 O -0.0054 0.0018 -0.0034 1065 GLN 62 CB -0.0048 0.0021 -0.0046 1066 GLN 62 CG -0.0041 0.0021 -0.0053 1067 GLN 62 CD -0.0042 0.0026 -0.0063 1068 GLN 62 OE1 -0.0049 0.0030 -0.0064 1069 GLN 62 NE2 -0.0036 0.0026 -0.0070 1070 VAL 63 N -0.0040 0.0009 -0.0032 1071 VAL 63 CA -0.0039 0.0007 -0.0029 1072 VAL 63 C -0.0030 0.0006 -0.0036 1073 VAL 63 O -0.0023 0.0000 -0.0034 1074 VAL 63 CB -0.0039 0.0002 -0.0019 1075 VAL 63 CG1 -0.0037 0.0000 -0.0017 1076 VAL 63 CG2 -0.0047 0.0003 -0.0013 1077 THR 64 N -0.0031 0.0010 -0.0043 1078 THR 64 CA -0.0023 0.0009 -0.0050 1079 THR 64 C -0.0024 0.0010 -0.0051 1080 THR 64 O -0.0030 0.0015 -0.0056 1081 THR 64 CB -0.0022 0.0013 -0.0059 1082 THR 64 OG1 -0.0029 0.0019 -0.0064 1083 THR 64 CG2 -0.0023 0.0013 -0.0059 1084 ASN 65 N -0.0002 -0.0006 -0.0004 1085 ASN 65 CA 0.0002 -0.0010 0.0000 1086 ASN 65 C 0.0008 -0.0006 0.0004 1087 ASN 65 O 0.0010 -0.0002 0.0004 1088 ASN 65 CB 0.0001 -0.0017 0.0002 1089 ASN 65 CG 0.0003 -0.0018 0.0004 1090 ASN 65 OD1 0.0007 -0.0014 0.0006 1091 ASN 65 ND2 0.0000 -0.0024 0.0004 1092 VAL 66 N 0.0012 -0.0009 0.0007 1093 VAL 66 CA 0.0018 -0.0007 0.0011 1094 VAL 66 C 0.0020 -0.0013 0.0015 1095 VAL 66 O 0.0018 -0.0019 0.0015 1096 VAL 66 CB 0.0021 -0.0002 0.0012 1097 VAL 66 CG1 0.0018 0.0004 0.0008 1098 VAL 66 CG2 0.0023 -0.0005 0.0015 1099 GLY 67 N 0.0024 -0.0014 0.0019 1100 GLY 67 CA 0.0027 -0.0019 0.0023 1101 GLY 67 C 0.0024 -0.0026 0.0022 1102 GLY 67 O 0.0026 -0.0031 0.0026 1103 GLY 68 N 0.0018 -0.0026 0.0018 1104 GLY 68 CA 0.0014 -0.0033 0.0017 1105 GLY 68 C 0.0010 -0.0032 0.0014 1106 GLY 68 O 0.0011 -0.0027 0.0013 1107 ALA 69 N 0.0007 -0.0006 0.0024 1108 ALA 69 CA 0.0002 -0.0006 0.0017 1109 ALA 69 C -0.0002 -0.0011 0.0010 1110 ALA 69 O -0.0001 -0.0019 0.0010 1111 ALA 69 CB 0.0004 -0.0010 0.0019 1112 VAL 70 N -0.0007 -0.0006 0.0005 1113 VAL 70 CA -0.0012 -0.0009 -0.0001 1114 VAL 70 C -0.0017 -0.0009 -0.0008 1115 VAL 70 O -0.0019 -0.0002 -0.0009 1116 VAL 70 CB -0.0013 -0.0004 -0.0002 1117 VAL 70 CG1 -0.0018 -0.0007 -0.0009 1118 VAL 70 CG2 -0.0008 -0.0006 0.0004 1119 VAL 71 N -0.0019 -0.0017 -0.0013 1120 VAL 71 CA -0.0024 -0.0018 -0.0020 1121 VAL 71 C -0.0029 -0.0019 -0.0026 1122 VAL 71 O -0.0028 -0.0025 -0.0026 1123 VAL 71 CB -0.0024 -0.0026 -0.0021 1124 VAL 71 CG1 -0.0029 -0.0027 -0.0028 1125 VAL 71 CG2 -0.0019 -0.0024 -0.0015 1126 THR 72 N -0.0034 -0.0013 -0.0031 1127 THR 72 CA -0.0039 -0.0013 -0.0037 1128 THR 72 C -0.0044 -0.0013 -0.0044 1129 THR 72 O -0.0047 -0.0007 -0.0046 1130 THR 72 CB -0.0040 -0.0005 -0.0036 1131 THR 72 OG1 -0.0042 0.0004 -0.0036 1132 THR 72 CG2 -0.0034 -0.0004 -0.0029 1133 GLY 73 N -0.0044 -0.0004 -0.0080 1134 GLY 73 CA -0.0041 -0.0003 -0.0083 1135 GLY 73 C -0.0041 0.0001 -0.0084 1136 GLY 73 O -0.0040 0.0002 -0.0085 1137 VAL 74 N -0.0041 0.0004 -0.0085 1138 VAL 74 CA -0.0041 0.0008 -0.0087 1139 VAL 74 C -0.0037 0.0008 -0.0090 1140 VAL 74 O -0.0035 0.0006 -0.0090 1141 VAL 74 CB -0.0044 0.0011 -0.0086 1142 VAL 74 CG1 -0.0048 0.0010 -0.0083 1143 VAL 74 CG2 -0.0043 0.0011 -0.0087 1144 THR 75 N -0.0036 0.0011 -0.0092 1145 THR 75 CA -0.0032 0.0011 -0.0095 1146 THR 75 C -0.0032 0.0016 -0.0097 1147 THR 75 O -0.0034 0.0018 -0.0096 1148 THR 75 CB -0.0030 0.0009 -0.0095 1149 THR 75 OG1 -0.0030 0.0005 -0.0093 1150 THR 75 CG2 -0.0025 0.0009 -0.0098 1151 ALA 76 N -0.0029 0.0017 -0.0099 1152 ALA 76 CA -0.0028 0.0021 -0.0101 1153 ALA 76 C -0.0032 0.0025 -0.0100 1154 ALA 76 O -0.0032 0.0028 -0.0101 1155 ALA 76 CB -0.0026 0.0022 -0.0103 1156 VAL 77 N -0.0040 0.0010 -0.0090 1157 VAL 77 CA -0.0037 0.0012 -0.0083 1158 VAL 77 C -0.0040 0.0010 -0.0077 1159 VAL 77 O -0.0045 0.0005 -0.0077 1160 VAL 77 CB -0.0038 0.0011 -0.0081 1161 VAL 77 CG1 -0.0036 0.0014 -0.0074 1162 VAL 77 CG2 -0.0036 0.0013 -0.0088 1163 ALA 78 N -0.0037 0.0013 -0.0073 1164 ALA 78 CA -0.0039 0.0011 -0.0067 1165 ALA 78 C -0.0035 0.0014 -0.0061 1166 ALA 78 O -0.0031 0.0019 -0.0061 1167 ALA 78 CB -0.0039 0.0011 -0.0071 1168 GLN 79 N -0.0037 0.0012 -0.0054 1169 GLN 79 CA -0.0034 0.0015 -0.0047 1170 GLN 79 C -0.0037 0.0012 -0.0042 1171 GLN 79 O -0.0042 0.0008 -0.0043 1172 GLN 79 CB -0.0033 0.0016 -0.0044 1173 GLN 79 CG -0.0039 0.0011 -0.0042 1174 GLN 79 CD -0.0038 0.0012 -0.0039 1175 GLN 79 OE1 -0.0033 0.0016 -0.0038 1176 GLN 79 NE2 -0.0042 0.0008 -0.0036 1177 LYS 80 N -0.0034 0.0015 -0.0036 1178 LYS 80 CA -0.0036 0.0013 -0.0029 1179 LYS 80 C -0.0034 0.0015 -0.0022 1180 LYS 80 O -0.0030 0.0019 -0.0023 1181 LYS 80 CB -0.0035 0.0014 -0.0028 1182 LYS 80 CG -0.0038 0.0011 -0.0022 1183 LYS 80 CD -0.0037 0.0012 -0.0021 1184 LYS 80 CE -0.0040 0.0009 -0.0015 1185 LYS 80 NZ -0.0039 0.0010 -0.0013 1186 THR 81 N -0.0050 -0.0010 -0.0008 1187 THR 81 CA -0.0035 -0.0014 -0.0006 1188 THR 81 C -0.0030 -0.0032 -0.0008 1189 THR 81 O -0.0029 -0.0036 -0.0008 1190 THR 81 CB -0.0022 -0.0002 -0.0003 1191 THR 81 OG1 -0.0026 0.0014 -0.0002 1192 THR 81 CG2 -0.0005 -0.0007 -0.0001 1193 VAL 82 N -0.0027 -0.0042 -0.0008 1194 VAL 82 CA -0.0021 -0.0058 -0.0009 1195 VAL 82 C -0.0003 -0.0058 -0.0007 1196 VAL 82 O 0.0001 -0.0053 -0.0006 1197 VAL 82 CB -0.0030 -0.0071 -0.0012 1198 VAL 82 CG1 -0.0021 -0.0088 -0.0013 1199 VAL 82 CG2 -0.0048 -0.0072 -0.0015 1200 GLU 83 N 0.0008 -0.0062 -0.0006 1201 GLU 83 CA 0.0026 -0.0063 -0.0003 1202 GLU 83 C 0.0033 -0.0046 -0.0001 1203 GLU 83 O 0.0039 -0.0044 0.0001 1204 GLU 83 CB 0.0031 -0.0077 -0.0004 1205 GLU 83 CG 0.0027 -0.0094 -0.0007 1206 GLU 83 CD 0.0033 -0.0107 -0.0007 1207 GLU 83 OE1 0.0039 -0.0103 -0.0006 1208 GLU 83 OE2 0.0031 -0.0122 -0.0009 1209 GLY 84 N 0.0031 -0.0035 0.0001 1210 GLY 84 CA 0.0038 -0.0018 0.0003 1211 GLY 84 C 0.0034 -0.0007 0.0004 1212 GLY 84 O 0.0025 -0.0012 0.0002 1213 ALA 85 N 0.0004 -0.0009 0.0021 1214 ALA 85 CA 0.0003 -0.0009 0.0020 1215 ALA 85 C 0.0001 -0.0004 0.0017 1216 ALA 85 O 0.0002 0.0000 0.0017 1217 ALA 85 CB 0.0006 -0.0009 0.0023 1218 GLY 86 N -0.0002 -0.0005 0.0014 1219 GLY 86 CA -0.0004 -0.0000 0.0011 1220 GLY 86 C -0.0005 0.0001 0.0010 1221 GLY 86 O -0.0008 -0.0002 0.0008 1222 SER 87 N -0.0004 0.0005 0.0010 1223 SER 87 CA -0.0004 0.0007 0.0009 1224 SER 87 C -0.0006 0.0012 0.0006 1225 SER 87 O -0.0004 0.0016 0.0007 1226 SER 87 CB -0.0001 0.0008 0.0013 1227 SER 87 OG 0.0001 0.0003 0.0015 1228 ILE 88 N -0.0010 0.0011 0.0003 1229 ILE 88 CA -0.0012 0.0015 -0.0001 1230 ILE 88 C -0.0012 0.0019 -0.0001 1231 ILE 88 O -0.0010 0.0024 -0.0001 1232 ILE 88 CB -0.0017 0.0013 -0.0004 1233 ILE 88 CG1 -0.0018 0.0009 -0.0004 1234 ILE 88 CG2 -0.0019 0.0017 -0.0008 1235 ILE 88 CD1 -0.0021 0.0006 -0.0007 1236 ALA 89 N -0.0010 -0.0042 0.0014 1237 ALA 89 CA -0.0009 -0.0039 0.0017 1238 ALA 89 C -0.0005 -0.0039 0.0018 1239 ALA 89 O -0.0002 -0.0039 0.0019 1240 ALA 89 CB -0.0010 -0.0038 0.0018 1241 ALA 90 N -0.0005 -0.0039 0.0018 1242 ALA 90 CA -0.0001 -0.0039 0.0019 1243 ALA 90 C -0.0001 -0.0036 0.0022 1244 ALA 90 O -0.0004 -0.0034 0.0023 1245 ALA 90 CB -0.0000 -0.0041 0.0017 1246 ALA 91 N 0.0003 -0.0035 0.0024 1247 ALA 91 CA 0.0003 -0.0033 0.0027 1248 ALA 91 C 0.0008 -0.0033 0.0028 1249 ALA 91 O 0.0011 -0.0034 0.0028 1250 ALA 91 CB 0.0003 -0.0030 0.0030 1251 THR 92 N 0.0008 -0.0032 0.0029 1252 THR 92 CA 0.0012 -0.0032 0.0030 1253 THR 92 C 0.0012 -0.0030 0.0033 1254 THR 92 O 0.0009 -0.0028 0.0034 1255 THR 92 CB 0.0012 -0.0035 0.0028 1256 THR 92 OG1 0.0009 -0.0034 0.0028 1257 THR 92 CG2 0.0012 -0.0037 0.0024 1258 GLY 93 N 0.0059 -0.0058 0.0027 1259 GLY 93 CA 0.0058 -0.0059 0.0029 1260 GLY 93 C 0.0056 -0.0063 0.0017 1261 GLY 93 O 0.0051 -0.0069 0.0017 1262 PHE 94 N 0.0061 -0.0061 0.0005 1263 PHE 94 CA 0.0060 -0.0064 -0.0007 1264 PHE 94 C 0.0061 -0.0066 -0.0018 1265 PHE 94 O 0.0067 -0.0059 -0.0019 1266 PHE 94 CB 0.0068 -0.0056 -0.0011 1267 PHE 94 CG 0.0067 -0.0056 -0.0003 1268 PHE 94 CD1 0.0062 -0.0062 -0.0006 1269 PHE 94 CD2 0.0070 -0.0049 0.0009 1270 PHE 94 CE1 0.0061 -0.0061 0.0002 1271 PHE 94 CE2 0.0069 -0.0048 0.0016 1272 PHE 94 CZ 0.0065 -0.0054 0.0013 1273 VAL 95 N 0.0056 -0.0074 -0.0027 1274 VAL 95 CA 0.0057 -0.0076 -0.0039 1275 VAL 95 C 0.0056 -0.0080 -0.0050 1276 VAL 95 O 0.0049 -0.0087 -0.0050 1277 VAL 95 CB 0.0050 -0.0084 -0.0038 1278 VAL 95 CG1 0.0050 -0.0086 -0.0051 1279 VAL 95 CG2 0.0051 -0.0080 -0.0027 1280 LYS 96 N 0.0062 -0.0074 -0.0060 1281 LYS 96 CA 0.0063 -0.0077 -0.0072 1282 LYS 96 C 0.0064 -0.0078 -0.0084 1283 LYS 96 O 0.0065 -0.0077 -0.0084 1284 LYS 96 CB 0.0070 -0.0068 -0.0072 1285 LYS 96 CG 0.0069 -0.0067 -0.0061 1286 LYS 96 CD 0.0062 -0.0075 -0.0062 1287 LYS 96 CE 0.0061 -0.0074 -0.0051 1288 LYS 96 NZ 0.0068 -0.0065 -0.0052 1289 LYS 97 N -0.0012 -0.0007 -0.0065 1290 LYS 97 CA -0.0006 -0.0022 -0.0061 1291 LYS 97 C 0.0011 -0.0021 -0.0046 1292 LYS 97 O 0.0017 -0.0005 -0.0040 1293 LYS 97 CB -0.0012 -0.0018 -0.0065 1294 LYS 97 CG -0.0008 -0.0033 -0.0063 1295 LYS 97 CD -0.0014 -0.0053 -0.0070 1296 LYS 97 CE -0.0009 -0.0068 -0.0067 1297 LYS 97 NZ -0.0015 -0.0062 -0.0071 1298 ASP 98 N 0.0019 -0.0038 -0.0042 1299 ASP 98 CA 0.0036 -0.0040 -0.0028 1300 ASP 98 C 0.0039 -0.0054 -0.0026 1301 ASP 98 O 0.0029 -0.0062 -0.0035 1302 ASP 98 CB 0.0043 -0.0045 -0.0023 1303 ASP 98 CG 0.0060 -0.0041 -0.0009 1304 ASP 98 OD1 0.0066 -0.0034 -0.0003 1305 ASP 98 OD2 0.0067 -0.0045 -0.0003 1306 GLN 99 N 0.0054 -0.0058 -0.0015 1307 GLN 99 CA 0.0059 -0.0072 -0.0012 1308 GLN 99 C 0.0055 -0.0093 -0.0017 1309 GLN 99 O 0.0049 -0.0103 -0.0023 1310 GLN 99 CB 0.0077 -0.0071 0.0002 1311 GLN 99 CG 0.0083 -0.0085 0.0006 1312 GLN 99 CD 0.0100 -0.0083 0.0020 1313 GLN 99 OE1 0.0107 -0.0073 0.0027 1314 GLN 99 NE2 0.0106 -0.0094 0.0025 1315 VAL 37 N 0.0027 0.0005 -0.0014 1316 VAL 37 CA 0.0035 -0.0007 -0.0017 1317 VAL 37 C 0.0025 -0.0016 -0.0012 1318 VAL 37 O 0.0028 -0.0024 -0.0012 1319 VAL 37 CB 0.0047 -0.0001 -0.0022 1320 VAL 37 CG1 0.0059 0.0004 -0.0027 1321 VAL 37 CG2 0.0041 0.0013 -0.0020 1322 LEU 38 N 0.0012 -0.0016 -0.0006 1323 LEU 38 CA 0.0001 -0.0024 -0.0001 1324 LEU 38 C 0.0003 -0.0041 -0.0001 1325 LEU 38 O 0.0002 -0.0049 0.0001 1326 LEU 38 CB -0.0013 -0.0019 0.0004 1327 LEU 38 CG -0.0022 -0.0006 0.0007 1328 LEU 38 CD1 -0.0028 -0.0009 0.0010 1329 LEU 38 CD2 -0.0014 0.0009 0.0003 1330 TYR 39 N 0.0006 -0.0046 -0.0002 1331 TYR 39 CA 0.0009 -0.0061 -0.0002 1332 TYR 39 C -0.0002 -0.0071 0.0004 1333 TYR 39 O -0.0001 -0.0082 0.0004 1334 TYR 39 CB 0.0023 -0.0067 -0.0007 1335 TYR 39 CG 0.0036 -0.0060 -0.0013 1336 TYR 39 CD1 0.0042 -0.0065 -0.0015 1337 TYR 39 CD2 0.0042 -0.0049 -0.0016 1338 TYR 39 CE1 0.0054 -0.0058 -0.0020 1339 TYR 39 CE2 0.0054 -0.0042 -0.0022 1340 TYR 39 CZ 0.0060 -0.0047 -0.0024 1341 TYR 39 OH 0.0071 -0.0041 -0.0029 1342 VAL 40 N -0.0014 -0.0069 0.0009 1343 VAL 40 CA -0.0026 -0.0078 0.0014 1344 VAL 40 C -0.0024 -0.0093 0.0015 1345 VAL 40 O -0.0027 -0.0105 0.0017 1346 VAL 40 CB -0.0039 -0.0070 0.0019 1347 VAL 40 CG1 -0.0052 -0.0079 0.0025 1348 VAL 40 CG2 -0.0041 -0.0055 0.0019 1349 GLY 41 N 0.0046 -0.0081 0.0016 1350 GLY 41 CA 0.0041 -0.0060 0.0023 1351 GLY 41 C 0.0019 -0.0056 0.0023 1352 GLY 41 O 0.0009 -0.0046 0.0026 1353 SER 42 N 0.0012 -0.0064 0.0020 1354 SER 42 CA -0.0010 -0.0065 0.0019 1355 SER 42 C -0.0019 -0.0045 0.0025 1356 SER 42 O -0.0036 -0.0040 0.0026 1357 SER 42 CB -0.0014 -0.0077 0.0014 1358 SER 42 OG -0.0035 -0.0077 0.0013 1359 LYS 43 N -0.0008 -0.0032 0.0030 1360 LYS 43 CA -0.0013 -0.0012 0.0037 1361 LYS 43 C 0.0006 -0.0001 0.0042 1362 LYS 43 O 0.0014 -0.0004 0.0041 1363 LYS 43 CB -0.0030 -0.0007 0.0038 1364 LYS 43 CG -0.0037 0.0014 0.0045 1365 LYS 43 CD -0.0055 0.0019 0.0046 1366 LYS 43 CE -0.0063 0.0039 0.0052 1367 LYS 43 NZ -0.0048 0.0054 0.0058 1368 THR 44 N 0.0013 0.0011 0.0047 1369 THR 44 CA 0.0030 0.0023 0.0052 1370 THR 44 C 0.0023 0.0044 0.0059 1371 THR 44 O 0.0010 0.0047 0.0059 1372 THR 44 CB 0.0049 0.0019 0.0052 1373 THR 44 OG1 0.0045 0.0022 0.0053 1374 THR 44 CG2 0.0056 -0.0002 0.0045 1375 LYS 45 N 0.0007 0.0051 0.0055 1376 LYS 45 CA 0.0008 0.0050 0.0051 1377 LYS 45 C 0.0006 0.0054 0.0044 1378 LYS 45 O 0.0002 0.0060 0.0044 1379 LYS 45 CB 0.0006 0.0052 0.0056 1380 LYS 45 CG 0.0007 0.0051 0.0052 1381 LYS 45 CD 0.0006 0.0052 0.0058 1382 LYS 45 CE 0.0007 0.0050 0.0055 1383 LYS 45 NZ 0.0006 0.0051 0.0060 1384 GLU 46 N 0.0009 0.0052 0.0037 1385 GLU 46 CA 0.0007 0.0056 0.0031 1386 GLU 46 C 0.0010 0.0053 0.0024 1387 GLU 46 O 0.0014 0.0048 0.0022 1388 GLU 46 CB 0.0007 0.0056 0.0031 1389 GLU 46 CG 0.0011 0.0050 0.0032 1390 GLU 46 CD 0.0010 0.0051 0.0033 1391 GLU 46 OE1 0.0006 0.0056 0.0033 1392 GLU 46 OE2 0.0013 0.0047 0.0034 1393 GLY 47 N 0.0008 0.0057 0.0019 1394 GLY 47 CA 0.0010 0.0055 0.0013 1395 GLY 47 C 0.0012 0.0052 0.0015 1396 GLY 47 O 0.0016 0.0048 0.0012 1397 VAL 48 N 0.0009 0.0055 0.0020 1398 VAL 48 CA 0.0011 0.0052 0.0023 1399 VAL 48 C 0.0008 0.0056 0.0021 1400 VAL 48 O 0.0004 0.0061 0.0021 1401 VAL 48 CB 0.0011 0.0051 0.0031 1402 VAL 48 CG1 0.0012 0.0048 0.0035 1403 VAL 48 CG2 0.0013 0.0047 0.0033 1404 VAL 49 N 0.0008 0.0032 0.0007 1405 VAL 49 CA 0.0010 0.0030 0.0009 1406 VAL 49 C 0.0017 0.0024 0.0017 1407 VAL 49 O 0.0018 0.0016 0.0017 1408 VAL 49 CB 0.0006 0.0024 0.0001 1409 VAL 49 CG1 0.0009 0.0020 0.0004 1410 VAL 49 CG2 0.0000 0.0030 -0.0006 1411 HIS 50 N 0.0020 0.0028 0.0024 1412 HIS 50 CA 0.0027 0.0022 0.0031 1413 HIS 50 C 0.0030 0.0023 0.0036 1414 HIS 50 O 0.0029 0.0031 0.0038 1415 HIS 50 CB 0.0030 0.0025 0.0037 1416 HIS 50 CG 0.0031 0.0035 0.0041 1417 HIS 50 ND1 0.0036 0.0038 0.0049 1418 HIS 50 CD2 0.0028 0.0044 0.0039 1419 HIS 50 CE1 0.0036 0.0048 0.0052 1420 HIS 50 NE2 0.0031 0.0052 0.0046 1421 GLY 51 N 0.0033 0.0014 0.0038 1422 GLY 51 CA 0.0037 0.0014 0.0043 1423 GLY 51 C 0.0033 0.0014 0.0038 1424 GLY 51 O 0.0032 0.0021 0.0039 1425 VAL 52 N 0.0031 0.0006 0.0032 1426 VAL 52 CA 0.0027 0.0005 0.0026 1427 VAL 52 C 0.0030 -0.0005 0.0028 1428 VAL 52 O 0.0032 -0.0013 0.0028 1429 VAL 52 CB 0.0021 0.0004 0.0017 1430 VAL 52 CG1 0.0017 0.0002 0.0011 1431 VAL 52 CG2 0.0018 0.0014 0.0015 1432 ALA 53 N 0.0011 0.0001 0.0017 1433 ALA 53 CA 0.0010 -0.0002 0.0020 1434 ALA 53 C 0.0010 -0.0003 0.0022 1435 ALA 53 O 0.0013 -0.0002 0.0022 1436 ALA 53 CB 0.0013 -0.0002 0.0022 1437 THR 54 N 0.0008 -0.0004 0.0025 1438 THR 54 CA 0.0008 -0.0006 0.0026 1439 THR 54 C 0.0006 -0.0008 0.0030 1440 THR 54 O 0.0004 -0.0009 0.0030 1441 THR 54 CB 0.0005 -0.0005 0.0024 1442 THR 54 OG1 0.0006 -0.0003 0.0021 1443 THR 54 CG2 0.0004 -0.0006 0.0026 1444 VAL 55 N 0.0009 -0.0009 0.0032 1445 VAL 55 CA 0.0008 -0.0011 0.0036 1446 VAL 55 C 0.0008 -0.0012 0.0037 1447 VAL 55 O 0.0010 -0.0011 0.0037 1448 VAL 55 CB 0.0011 -0.0012 0.0038 1449 VAL 55 CG1 0.0010 -0.0014 0.0041 1450 VAL 55 CG2 0.0011 -0.0011 0.0036 1451 ALA 56 N 0.0005 -0.0013 0.0039 1452 ALA 56 CA 0.0004 -0.0014 0.0040 1453 ALA 56 C 0.0003 -0.0017 0.0043 1454 ALA 56 O -0.0000 -0.0018 0.0044 1455 ALA 56 CB 0.0001 -0.0014 0.0038 1456 GLU 57 N -0.0028 0.0029 0.0043 1457 GLU 57 CA -0.0027 0.0027 0.0039 1458 GLU 57 C -0.0030 0.0028 0.0036 1459 GLU 57 O -0.0033 0.0029 0.0035 1460 GLU 57 CB -0.0027 0.0028 0.0040 1461 GLU 57 CG -0.0024 0.0027 0.0043 1462 GLU 57 CD -0.0025 0.0027 0.0043 1463 GLU 57 OE1 -0.0027 0.0028 0.0041 1464 GLU 57 OE2 -0.0022 0.0027 0.0045 1465 LYS 58 N -0.0028 0.0026 0.0034 1466 LYS 58 CA -0.0030 0.0026 0.0030 1467 LYS 58 C -0.0029 0.0024 0.0027 1468 LYS 58 O -0.0026 0.0022 0.0026 1469 LYS 58 CB -0.0031 0.0026 0.0031 1470 LYS 58 CG -0.0033 0.0029 0.0035 1471 LYS 58 CD -0.0033 0.0029 0.0035 1472 LYS 58 CE -0.0035 0.0031 0.0038 1473 LYS 58 NZ -0.0036 0.0032 0.0039 1474 THR 59 N -0.0031 0.0024 0.0024 1475 THR 59 CA -0.0029 0.0021 0.0021 1476 THR 59 C -0.0029 0.0021 0.0018 1477 THR 59 O -0.0027 0.0019 0.0016 1478 THR 59 CB -0.0031 0.0022 0.0019 1479 THR 59 OG1 -0.0031 0.0023 0.0021 1480 THR 59 CG2 -0.0029 0.0020 0.0015 1481 LYS 60 N -0.0032 0.0022 0.0018 1482 LYS 60 CA -0.0032 0.0021 0.0016 1483 LYS 60 C -0.0034 0.0023 0.0017 1484 LYS 60 O -0.0037 0.0025 0.0018 1485 LYS 60 CB -0.0034 0.0020 0.0012 1486 LYS 60 CG -0.0033 0.0019 0.0009 1487 LYS 60 CD -0.0035 0.0019 0.0005 1488 LYS 60 CE -0.0035 0.0017 0.0002 1489 LYS 60 NZ -0.0036 0.0017 -0.0002 1490 GLU 61 N -0.0069 0.0052 0.0003 1491 GLU 61 CA -0.0067 0.0049 0.0005 1492 GLU 61 C -0.0059 0.0049 0.0003 1493 GLU 61 O -0.0055 0.0047 0.0003 1494 GLU 61 CB -0.0068 0.0043 0.0011 1495 GLU 61 CG -0.0065 0.0039 0.0014 1496 GLU 61 CD -0.0066 0.0034 0.0019 1497 GLU 61 OE1 -0.0069 0.0033 0.0020 1498 GLU 61 OE2 -0.0065 0.0030 0.0022 1499 GLN 62 N -0.0058 0.0050 0.0001 1500 GLN 62 CA -0.0051 0.0051 -0.0001 1501 GLN 62 C -0.0049 0.0048 0.0001 1502 GLN 62 O -0.0053 0.0049 0.0001 1503 GLN 62 CB -0.0051 0.0057 -0.0007 1504 GLN 62 CG -0.0044 0.0058 -0.0010 1505 GLN 62 CD -0.0044 0.0064 -0.0015 1506 GLN 62 OE1 -0.0049 0.0067 -0.0017 1507 GLN 62 NE2 -0.0038 0.0065 -0.0018 1508 VAL 63 N -0.0044 0.0044 0.0003 1509 VAL 63 CA -0.0041 0.0041 0.0005 1510 VAL 63 C -0.0034 0.0041 0.0002 1511 VAL 63 O -0.0029 0.0038 0.0003 1512 VAL 63 CB -0.0042 0.0035 0.0010 1513 VAL 63 CG1 -0.0039 0.0032 0.0012 1514 VAL 63 CG2 -0.0049 0.0035 0.0013 1515 THR 64 N -0.0032 0.0044 -0.0001 1516 THR 64 CA -0.0025 0.0045 -0.0004 1517 THR 64 C -0.0023 0.0044 -0.0004 1518 THR 64 O -0.0026 0.0048 -0.0006 1519 THR 64 CB -0.0024 0.0051 -0.0009 1520 THR 64 OG1 -0.0028 0.0054 -0.0012 1521 THR 64 CG2 -0.0027 0.0052 -0.0010 1522 ASN 65 N 0.0006 0.0021 0.0036 1523 ASN 65 CA 0.0014 0.0016 0.0039 1524 ASN 65 C 0.0026 0.0019 0.0042 1525 ASN 65 O 0.0027 0.0024 0.0042 1526 ASN 65 CB 0.0012 0.0003 0.0040 1527 ASN 65 CG 0.0015 -0.0004 0.0041 1528 ASN 65 OD1 0.0021 0.0000 0.0043 1529 ASN 65 ND2 0.0010 -0.0013 0.0041 1530 VAL 66 N 0.0034 0.0018 0.0045 1531 VAL 66 CA 0.0045 0.0019 0.0047 1532 VAL 66 C 0.0051 0.0007 0.0050 1533 VAL 66 O 0.0049 0.0002 0.0050 1534 VAL 66 CB 0.0052 0.0029 0.0048 1535 VAL 66 CG1 0.0046 0.0040 0.0045 1536 VAL 66 CG2 0.0058 0.0027 0.0050 1537 GLY 67 N 0.0057 0.0004 0.0052 1538 GLY 67 CA 0.0063 -0.0007 0.0055 1539 GLY 67 C 0.0057 -0.0018 0.0054 1540 GLY 67 O 0.0062 -0.0027 0.0056 1541 GLY 68 N 0.0046 -0.0017 0.0051 1542 GLY 68 CA 0.0039 -0.0027 0.0050 1543 GLY 68 C 0.0030 -0.0029 0.0048 1544 GLY 68 O 0.0029 -0.0023 0.0047 1545 ALA 69 N 0.0026 0.0003 0.0061 1546 ALA 69 CA 0.0020 0.0003 0.0055 1547 ALA 69 C 0.0013 -0.0002 0.0048 1548 ALA 69 O 0.0014 -0.0012 0.0048 1549 ALA 69 CB 0.0023 -0.0003 0.0057 1550 VAL 70 N 0.0008 0.0004 0.0042 1551 VAL 70 CA 0.0001 0.0000 0.0035 1552 VAL 70 C -0.0005 -0.0000 0.0029 1553 VAL 70 O -0.0006 0.0007 0.0028 1554 VAL 70 CB -0.0001 0.0007 0.0033 1555 VAL 70 CG1 -0.0008 0.0004 0.0026 1556 VAL 70 CG2 0.0004 0.0006 0.0039 1557 VAL 71 N -0.0009 -0.0009 0.0025 1558 VAL 71 CA -0.0015 -0.0010 0.0019 1559 VAL 71 C -0.0021 -0.0011 0.0012 1560 VAL 71 O -0.0022 -0.0018 0.0011 1561 VAL 71 CB -0.0014 -0.0020 0.0019 1562 VAL 71 CG1 -0.0021 -0.0022 0.0012 1563 VAL 71 CG2 -0.0008 -0.0019 0.0025 1564 THR 72 N -0.0027 -0.0004 0.0007 1565 THR 72 CA -0.0033 -0.0004 0.0000 1566 THR 72 C -0.0040 -0.0005 -0.0007 1567 THR 72 O -0.0042 0.0001 -0.0008 1568 THR 72 CB -0.0034 0.0006 -0.0000 1569 THR 72 OG1 -0.0035 0.0015 -0.0001 1570 THR 72 CG2 -0.0028 0.0008 0.0006 1571 GLY 73 N -0.0033 -0.0003 -0.0045 1572 GLY 73 CA -0.0029 -0.0002 -0.0048 1573 GLY 73 C -0.0029 0.0003 -0.0049 1574 GLY 73 O -0.0028 0.0004 -0.0050 1575 VAL 74 N -0.0029 0.0006 -0.0050 1576 VAL 74 CA -0.0029 0.0011 -0.0052 1577 VAL 74 C -0.0024 0.0011 -0.0054 1578 VAL 74 O -0.0022 0.0009 -0.0054 1579 VAL 74 CB -0.0032 0.0014 -0.0051 1580 VAL 74 CG1 -0.0036 0.0013 -0.0049 1581 VAL 74 CG2 -0.0031 0.0015 -0.0052 1582 THR 75 N -0.0022 0.0014 -0.0056 1583 THR 75 CA -0.0018 0.0015 -0.0058 1584 THR 75 C -0.0018 0.0020 -0.0060 1585 THR 75 O -0.0020 0.0022 -0.0060 1586 THR 75 CB -0.0015 0.0012 -0.0059 1587 THR 75 OG1 -0.0016 0.0007 -0.0057 1588 THR 75 CG2 -0.0011 0.0012 -0.0061 1589 ALA 76 N -0.0015 0.0021 -0.0062 1590 ALA 76 CA -0.0014 0.0026 -0.0064 1591 ALA 76 C -0.0017 0.0029 -0.0063 1592 ALA 76 O -0.0018 0.0032 -0.0064 1593 ALA 76 CB -0.0011 0.0026 -0.0065 1594 VAL 77 N -0.0026 0.0024 -0.0058 1595 VAL 77 CA -0.0024 0.0026 -0.0050 1596 VAL 77 C -0.0026 0.0024 -0.0045 1597 VAL 77 O -0.0031 0.0019 -0.0044 1598 VAL 77 CB -0.0025 0.0025 -0.0048 1599 VAL 77 CG1 -0.0022 0.0028 -0.0040 1600 VAL 77 CG2 -0.0022 0.0028 -0.0054 1601 ALA 78 N -0.0023 0.0028 -0.0040 1602 ALA 78 CA -0.0025 0.0026 -0.0035 1603 ALA 78 C -0.0021 0.0030 -0.0028 1604 ALA 78 O -0.0017 0.0034 -0.0029 1605 ALA 78 CB -0.0025 0.0026 -0.0040 1606 GLN 79 N -0.0024 0.0028 -0.0022 1607 GLN 79 CA -0.0021 0.0031 -0.0015 1608 GLN 79 C -0.0024 0.0028 -0.0009 1609 GLN 79 O -0.0028 0.0023 -0.0010 1610 GLN 79 CB -0.0020 0.0032 -0.0011 1611 GLN 79 CG -0.0025 0.0026 -0.0008 1612 GLN 79 CD -0.0025 0.0027 -0.0004 1613 GLN 79 OE1 -0.0020 0.0032 -0.0004 1614 GLN 79 NE2 -0.0029 0.0023 -0.0002 1615 LYS 80 N -0.0021 0.0031 -0.0003 1616 LYS 80 CA -0.0023 0.0029 0.0003 1617 LYS 80 C -0.0021 0.0031 0.0010 1618 LYS 80 O -0.0017 0.0036 0.0010 1619 LYS 80 CB -0.0022 0.0031 0.0003 1620 LYS 80 CG -0.0025 0.0027 0.0009 1621 LYS 80 CD -0.0024 0.0029 0.0010 1622 LYS 80 CE -0.0027 0.0026 0.0016 1623 LYS 80 NZ -0.0026 0.0027 0.0017 1624 THR 81 N -0.0034 0.0015 0.0026 1625 THR 81 CA -0.0018 0.0011 0.0029 1626 THR 81 C -0.0015 -0.0006 0.0029 1627 THR 81 O -0.0015 -0.0010 0.0029 1628 THR 81 CB -0.0006 0.0022 0.0031 1629 THR 81 OG1 -0.0009 0.0038 0.0030 1630 THR 81 CG2 0.0010 0.0018 0.0033 1631 VAL 82 N -0.0011 -0.0015 0.0029 1632 VAL 82 CA -0.0005 -0.0031 0.0029 1633 VAL 82 C 0.0012 -0.0031 0.0032 1634 VAL 82 O 0.0017 -0.0026 0.0033 1635 VAL 82 CB -0.0014 -0.0043 0.0028 1636 VAL 82 CG1 -0.0006 -0.0059 0.0029 1637 VAL 82 CG2 -0.0031 -0.0044 0.0026 1638 GLU 83 N 0.0021 -0.0035 0.0033 1639 GLU 83 CA 0.0038 -0.0036 0.0036 1640 GLU 83 C 0.0046 -0.0020 0.0037 1641 GLU 83 O 0.0053 -0.0018 0.0038 1642 GLU 83 CB 0.0044 -0.0049 0.0036 1643 GLU 83 CG 0.0039 -0.0066 0.0035 1644 GLU 83 CD 0.0045 -0.0078 0.0035 1645 GLU 83 OE1 0.0052 -0.0074 0.0037 1646 GLU 83 OE2 0.0043 -0.0092 0.0035 1647 GLY 84 N 0.0043 -0.0009 0.0037 1648 GLY 84 CA 0.0051 0.0006 0.0038 1649 GLY 84 C 0.0046 0.0017 0.0038 1650 GLY 84 O 0.0037 0.0012 0.0036 1651 ALA 85 N 0.0020 0.0014 0.0056 1652 ALA 85 CA 0.0020 0.0014 0.0056 1653 ALA 85 C 0.0017 0.0019 0.0053 1654 ALA 85 O 0.0017 0.0024 0.0054 1655 ALA 85 CB 0.0024 0.0014 0.0060 1656 GLY 86 N 0.0014 0.0019 0.0050 1657 GLY 86 CA 0.0012 0.0024 0.0048 1658 GLY 86 C 0.0012 0.0024 0.0048 1659 GLY 86 O 0.0010 0.0021 0.0046 1660 SER 87 N 0.0013 0.0029 0.0051 1661 SER 87 CA 0.0013 0.0030 0.0051 1662 SER 87 C 0.0010 0.0035 0.0048 1663 SER 87 O 0.0011 0.0040 0.0050 1664 SER 87 CB 0.0017 0.0031 0.0055 1665 SER 87 OG 0.0020 0.0026 0.0058 1666 ILE 88 N 0.0007 0.0034 0.0044 1667 ILE 88 CA 0.0004 0.0039 0.0041 1668 ILE 88 C 0.0005 0.0044 0.0043 1669 ILE 88 O 0.0005 0.0049 0.0044 1670 ILE 88 CB -0.0000 0.0036 0.0037 1671 ILE 88 CG1 -0.0001 0.0033 0.0035 1672 ILE 88 CG2 -0.0003 0.0041 0.0034 1673 ILE 88 CD1 -0.0005 0.0030 0.0031 1674 ALA 89 N 0.0005 -0.0024 0.0058 1675 ALA 89 CA 0.0006 -0.0021 0.0061 1676 ALA 89 C 0.0010 -0.0021 0.0063 1677 ALA 89 O 0.0012 -0.0022 0.0063 1678 ALA 89 CB 0.0005 -0.0020 0.0062 1679 ALA 90 N 0.0010 -0.0021 0.0063 1680 ALA 90 CA 0.0014 -0.0021 0.0065 1681 ALA 90 C 0.0014 -0.0018 0.0068 1682 ALA 90 O 0.0012 -0.0016 0.0068 1683 ALA 90 CB 0.0015 -0.0023 0.0063 1684 ALA 91 N 0.0017 -0.0018 0.0069 1685 ALA 91 CA 0.0018 -0.0015 0.0072 1686 ALA 91 C 0.0022 -0.0016 0.0074 1687 ALA 91 O 0.0024 -0.0017 0.0074 1688 ALA 91 CB 0.0017 -0.0013 0.0074 1689 THR 92 N 0.0023 -0.0015 0.0075 1690 THR 92 CA 0.0026 -0.0015 0.0076 1691 THR 92 C 0.0027 -0.0012 0.0079 1692 THR 92 O 0.0024 -0.0010 0.0080 1693 THR 92 CB 0.0027 -0.0017 0.0075 1694 THR 92 OG1 0.0025 -0.0016 0.0075 1695 THR 92 CG2 0.0026 -0.0020 0.0072 1696 GLY 93 N 0.0068 -0.0030 0.0083 1697 GLY 93 CA 0.0062 -0.0043 0.0076 1698 GLY 93 C 0.0052 -0.0050 0.0055 1699 GLY 93 O 0.0046 -0.0068 0.0050 1700 PHE 94 N 0.0049 -0.0035 0.0042 1701 PHE 94 CA 0.0039 -0.0038 0.0021 1702 PHE 94 C 0.0039 -0.0027 0.0015 1703 PHE 94 O 0.0045 -0.0009 0.0020 1704 PHE 94 CB 0.0035 -0.0029 0.0008 1705 PHE 94 CG 0.0034 -0.0042 0.0010 1706 PHE 94 CD1 0.0025 -0.0059 -0.0002 1707 PHE 94 CD2 0.0041 -0.0036 0.0023 1708 PHE 94 CE1 0.0024 -0.0070 0.0000 1709 PHE 94 CE2 0.0039 -0.0048 0.0025 1710 PHE 94 CZ 0.0031 -0.0064 0.0014 1711 VAL 95 N 0.0032 -0.0038 0.0004 1712 VAL 95 CA 0.0030 -0.0028 -0.0006 1713 VAL 95 C 0.0019 -0.0034 -0.0027 1714 VAL 95 O 0.0014 -0.0053 -0.0030 1715 VAL 95 CB 0.0033 -0.0035 0.0005 1716 VAL 95 CG1 0.0029 -0.0027 -0.0007 1717 VAL 95 CG2 0.0044 -0.0028 0.0026 1718 LYS 96 N 0.0016 -0.0018 -0.0041 1719 LYS 96 CA 0.0006 -0.0022 -0.0062 1720 LYS 96 C 0.0004 -0.0011 -0.0073 1721 LYS 96 O 0.0010 -0.0001 -0.0064 1722 LYS 96 CB 0.0003 -0.0013 -0.0072 1723 LYS 96 CG 0.0004 -0.0025 -0.0065 1724 LYS 96 CD -0.0004 -0.0046 -0.0073 1725 LYS 96 CE -0.0003 -0.0058 -0.0065 1726 LYS 96 NZ -0.0004 -0.0048 -0.0074 1727 LYS 97 N -0.0102 0.0106 -0.0079 1728 LYS 97 CA -0.0082 0.0061 -0.0057 1729 LYS 97 C -0.0032 0.0064 -0.0068 1730 LYS 97 O -0.0003 0.0093 -0.0089 1731 LYS 97 CB -0.0074 0.0029 -0.0041 1732 LYS 97 CG -0.0057 -0.0020 -0.0017 1733 LYS 97 CD -0.0100 -0.0044 0.0004 1734 LYS 97 CE -0.0082 -0.0093 0.0028 1735 LYS 97 NZ -0.0072 -0.0120 0.0041 1736 ASP 98 N -0.0023 0.0034 -0.0053 1737 ASP 98 CA 0.0025 0.0030 -0.0059 1738 ASP 98 C 0.0041 -0.0021 -0.0034 1739 ASP 98 O 0.0015 -0.0050 -0.0013 1740 ASP 98 CB 0.0020 0.0056 -0.0073 1741 ASP 98 CG 0.0071 0.0067 -0.0088 1742 ASP 98 OD1 0.0111 0.0052 -0.0087 1743 ASP 98 OD2 0.0071 0.0089 -0.0100 1744 GLN 99 N 0.0083 -0.0032 -0.0035 1745 GLN 99 CA 0.0102 -0.0080 -0.0013 1746 GLN 99 C 0.0065 -0.0103 0.0007 1747 GLN 99 O 0.0051 -0.0140 0.0030 1748 GLN 99 CB 0.0155 -0.0082 -0.0021 1749 GLN 99 CG 0.0179 -0.0130 0.0001 1750 GLN 99 CD 0.0232 -0.0131 -0.0008 1751 GLN 99 OE1 0.0251 -0.0096 -0.0031 1752 GLN 99 NE2 0.0256 -0.0172 0.0011 1753 VAL 37 N 0.0027 0.0073 0.0000 1754 VAL 37 CA 0.0049 0.0053 0.0003 1755 VAL 37 C 0.0026 0.0039 0.0007 1756 VAL 37 O 0.0038 0.0031 0.0008 1757 VAL 37 CB 0.0080 0.0075 -0.0003 1758 VAL 37 CG1 0.0105 0.0078 -0.0006 1759 VAL 37 CG2 0.0067 0.0110 -0.0010 1760 LEU 38 N -0.0007 0.0035 0.0010 1761 LEU 38 CA -0.0032 0.0023 0.0014 1762 LEU 38 C -0.0025 -0.0015 0.0021 1763 LEU 38 O -0.0024 -0.0025 0.0024 1764 LEU 38 CB -0.0068 0.0029 0.0015 1765 LEU 38 CG -0.0089 0.0062 0.0009 1766 LEU 38 CD1 -0.0099 0.0065 0.0009 1767 LEU 38 CD2 -0.0070 0.0093 0.0001 1768 TYR 39 N -0.0021 -0.0035 0.0026 1769 TYR 39 CA -0.0013 -0.0072 0.0033 1770 TYR 39 C -0.0040 -0.0091 0.0038 1771 TYR 39 O -0.0033 -0.0106 0.0041 1772 TYR 39 CB 0.0023 -0.0078 0.0032 1773 TYR 39 CG 0.0052 -0.0068 0.0028 1774 TYR 39 CD1 0.0063 -0.0088 0.0032 1775 TYR 39 CD2 0.0070 -0.0038 0.0021 1776 TYR 39 CE1 0.0090 -0.0078 0.0028 1777 TYR 39 CE2 0.0097 -0.0028 0.0017 1778 TYR 39 CZ 0.0107 -0.0048 0.0021 1779 TYR 39 OH 0.0134 -0.0038 0.0017 1780 VAL 40 N -0.0072 -0.0091 0.0040 1781 VAL 40 CA -0.0100 -0.0109 0.0046 1782 VAL 40 C -0.0095 -0.0147 0.0053 1783 VAL 40 O -0.0101 -0.0168 0.0058 1784 VAL 40 CB -0.0135 -0.0096 0.0045 1785 VAL 40 CG1 -0.0165 -0.0115 0.0050 1786 VAL 40 CG2 -0.0139 -0.0058 0.0037 1787 GLY 41 N 0.0032 -0.0157 0.0027 1788 GLY 41 CA 0.0025 -0.0129 0.0037 1789 GLY 41 C -0.0006 -0.0123 0.0046 1790 GLY 41 O -0.0020 -0.0114 0.0052 1791 SER 42 N -0.0017 -0.0130 0.0046 1792 SER 42 CA -0.0048 -0.0131 0.0052 1793 SER 42 C -0.0060 -0.0103 0.0064 1794 SER 42 O -0.0084 -0.0101 0.0069 1795 SER 42 CB -0.0054 -0.0142 0.0050 1796 SER 42 OG -0.0084 -0.0143 0.0055 1797 LYS 43 N -0.0045 -0.0081 0.0068 1798 LYS 43 CA -0.0051 -0.0052 0.0079 1799 LYS 43 C -0.0024 -0.0034 0.0079 1800 LYS 43 O -0.0013 -0.0032 0.0077 1801 LYS 43 CB -0.0076 -0.0042 0.0087 1802 LYS 43 CG -0.0085 -0.0014 0.0098 1803 LYS 43 CD -0.0110 -0.0005 0.0107 1804 LYS 43 CE -0.0121 0.0022 0.0118 1805 LYS 43 NZ -0.0099 0.0046 0.0121 1806 THR 44 N -0.0013 -0.0021 0.0081 1807 THR 44 CA 0.0011 0.0001 0.0083 1808 THR 44 C 0.0001 0.0027 0.0094 1809 THR 44 O -0.0017 0.0026 0.0097 1810 THR 44 CB 0.0038 -0.0008 0.0074 1811 THR 44 OG1 0.0032 -0.0011 0.0074 1812 THR 44 CG2 0.0047 -0.0036 0.0063 1813 LYS 45 N 0.0009 0.0074 0.0100 1814 LYS 45 CA 0.0010 0.0074 0.0095 1815 LYS 45 C 0.0009 0.0085 0.0081 1816 LYS 45 O 0.0004 0.0098 0.0082 1817 LYS 45 CB 0.0004 0.0079 0.0109 1818 LYS 45 CG 0.0006 0.0078 0.0106 1819 LYS 45 CD 0.0001 0.0080 0.0120 1820 LYS 45 CE 0.0002 0.0078 0.0117 1821 LYS 45 NZ -0.0002 0.0080 0.0131 1822 GLU 46 N 0.0015 0.0079 0.0068 1823 GLU 46 CA 0.0015 0.0089 0.0054 1824 GLU 46 C 0.0020 0.0084 0.0041 1825 GLU 46 O 0.0026 0.0072 0.0037 1826 GLU 46 CB 0.0017 0.0088 0.0049 1827 GLU 46 CG 0.0023 0.0073 0.0049 1828 GLU 46 CD 0.0023 0.0074 0.0047 1829 GLU 46 OE1 0.0018 0.0087 0.0047 1830 GLU 46 OE2 0.0027 0.0063 0.0046 1831 GLY 47 N 0.0018 0.0095 0.0035 1832 GLY 47 CA 0.0022 0.0092 0.0024 1833 GLY 47 C 0.0023 0.0086 0.0031 1834 GLY 47 O 0.0028 0.0076 0.0025 1835 VAL 48 N 0.0017 0.0092 0.0043 1836 VAL 48 CA 0.0017 0.0086 0.0052 1837 VAL 48 C 0.0013 0.0097 0.0052 1838 VAL 48 O 0.0007 0.0110 0.0053 1839 VAL 48 CB 0.0014 0.0082 0.0069 1840 VAL 48 CG1 0.0014 0.0076 0.0079 1841 VAL 48 CG2 0.0018 0.0071 0.0069 1842 VAL 49 N 0.0017 0.0058 0.0032 1843 VAL 49 CA 0.0019 0.0054 0.0032 1844 VAL 49 C 0.0032 0.0045 0.0043 1845 VAL 49 O 0.0037 0.0034 0.0043 1846 VAL 49 CB 0.0013 0.0044 0.0017 1847 VAL 49 CG1 0.0016 0.0038 0.0018 1848 VAL 49 CG2 0.0000 0.0054 0.0007 1849 HIS 50 N 0.0036 0.0051 0.0053 1850 HIS 50 CA 0.0048 0.0042 0.0063 1851 HIS 50 C 0.0052 0.0043 0.0068 1852 HIS 50 O 0.0048 0.0055 0.0071 1853 HIS 50 CB 0.0055 0.0047 0.0075 1854 HIS 50 CG 0.0054 0.0063 0.0085 1855 HIS 50 ND1 0.0061 0.0067 0.0096 1856 HIS 50 CD2 0.0047 0.0077 0.0084 1857 HIS 50 CE1 0.0058 0.0082 0.0103 1858 HIS 50 NE2 0.0050 0.0088 0.0096 1859 GLY 51 N 0.0059 0.0029 0.0069 1860 GLY 51 CA 0.0063 0.0028 0.0073 1861 GLY 51 C 0.0055 0.0027 0.0062 1862 GLY 51 O 0.0051 0.0037 0.0063 1863 VAL 52 N 0.0053 0.0014 0.0051 1864 VAL 52 CA 0.0045 0.0012 0.0039 1865 VAL 52 C 0.0052 -0.0003 0.0038 1866 VAL 52 O 0.0058 -0.0016 0.0038 1867 VAL 52 CB 0.0035 0.0011 0.0026 1868 VAL 52 CG1 0.0028 0.0007 0.0013 1869 VAL 52 CG2 0.0028 0.0027 0.0027 1870 ALA 53 N 0.0013 0.0013 0.0029 1871 ALA 53 CA 0.0013 0.0009 0.0032 1872 ALA 53 C 0.0011 0.0008 0.0031 1873 ALA 53 O 0.0012 0.0011 0.0030 1874 ALA 53 CB 0.0017 0.0009 0.0035 1875 THR 54 N 0.0009 0.0004 0.0031 1876 THR 54 CA 0.0007 0.0003 0.0030 1877 THR 54 C 0.0007 -0.0002 0.0032 1878 THR 54 O 0.0006 -0.0005 0.0033 1879 THR 54 CB 0.0004 0.0003 0.0026 1880 THR 54 OG1 0.0004 0.0007 0.0024 1881 THR 54 CG2 0.0002 0.0002 0.0025 1882 VAL 55 N 0.0009 -0.0003 0.0034 1883 VAL 55 CA 0.0008 -0.0007 0.0036 1884 VAL 55 C 0.0006 -0.0008 0.0034 1885 VAL 55 O 0.0007 -0.0005 0.0033 1886 VAL 55 CB 0.0012 -0.0008 0.0039 1887 VAL 55 CG1 0.0012 -0.0012 0.0041 1888 VAL 55 CG2 0.0014 -0.0007 0.0041 1889 ALA 56 N 0.0004 -0.0011 0.0034 1890 ALA 56 CA 0.0001 -0.0013 0.0032 1891 ALA 56 C 0.0001 -0.0017 0.0034 1892 ALA 56 O -0.0001 -0.0020 0.0034 1893 ALA 56 CB -0.0002 -0.0012 0.0029 1894 GLU 57 N -0.0037 0.0040 0.0029 1895 GLU 57 CA -0.0037 0.0040 0.0027 1896 GLU 57 C -0.0038 0.0039 0.0027 1897 GLU 57 O -0.0040 0.0038 0.0027 1898 GLU 57 CB -0.0037 0.0040 0.0024 1899 GLU 57 CG -0.0036 0.0041 0.0023 1900 GLU 57 CD -0.0036 0.0040 0.0020 1901 GLU 57 OE1 -0.0038 0.0038 0.0019 1902 GLU 57 OE2 -0.0035 0.0040 0.0019 1903 LYS 58 N -0.0037 0.0041 0.0027 1904 LYS 58 CA -0.0038 0.0040 0.0028 1905 LYS 58 C -0.0036 0.0040 0.0026 1906 LYS 58 O -0.0034 0.0042 0.0026 1907 LYS 58 CB -0.0037 0.0041 0.0031 1908 LYS 58 CG -0.0039 0.0040 0.0033 1909 LYS 58 CD -0.0039 0.0041 0.0036 1910 LYS 58 CE -0.0040 0.0040 0.0039 1911 LYS 58 NZ -0.0040 0.0040 0.0042 1912 THR 59 N -0.0038 0.0039 0.0024 1913 THR 59 CA -0.0037 0.0040 0.0022 1914 THR 59 C -0.0036 0.0040 0.0023 1915 THR 59 O -0.0035 0.0041 0.0022 1916 THR 59 CB -0.0038 0.0038 0.0019 1917 THR 59 OG1 -0.0039 0.0037 0.0018 1918 THR 59 CG2 -0.0037 0.0038 0.0017 1919 LYS 60 N -0.0038 0.0039 0.0025 1920 LYS 60 CA -0.0037 0.0040 0.0027 1921 LYS 60 C -0.0038 0.0040 0.0030 1922 LYS 60 O -0.0041 0.0038 0.0031 1923 LYS 60 CB -0.0038 0.0039 0.0025 1924 LYS 60 CG -0.0038 0.0040 0.0027 1925 LYS 60 CD -0.0039 0.0039 0.0025 1926 LYS 60 CE -0.0038 0.0039 0.0026 1927 LYS 60 NZ -0.0039 0.0038 0.0024 1928 GLU 61 N -0.0072 0.0076 0.0018 1929 GLU 61 CA -0.0069 0.0071 0.0022 1930 GLU 61 C -0.0061 0.0072 0.0023 1931 GLU 61 O -0.0057 0.0073 0.0023 1932 GLU 61 CB -0.0071 0.0065 0.0026 1933 GLU 61 CG -0.0068 0.0059 0.0030 1934 GLU 61 CD -0.0069 0.0053 0.0033 1935 GLU 61 OE1 -0.0073 0.0054 0.0033 1936 GLU 61 OE2 -0.0067 0.0048 0.0037 1937 GLN 62 N -0.0058 0.0072 0.0023 1938 GLN 62 CA -0.0051 0.0074 0.0023 1939 GLN 62 C -0.0048 0.0069 0.0026 1940 GLN 62 O -0.0050 0.0068 0.0027 1941 GLN 62 CB -0.0050 0.0081 0.0019 1942 GLN 62 CG -0.0042 0.0083 0.0019 1943 GLN 62 CD -0.0042 0.0089 0.0015 1944 GLN 62 OE1 -0.0047 0.0092 0.0012 1945 GLN 62 NE2 -0.0035 0.0092 0.0014 1946 VAL 63 N -0.0042 0.0066 0.0029 1947 VAL 63 CA -0.0039 0.0062 0.0033 1948 VAL 63 C -0.0030 0.0064 0.0033 1949 VAL 63 O -0.0027 0.0063 0.0034 1950 VAL 63 CB -0.0040 0.0055 0.0037 1951 VAL 63 CG1 -0.0036 0.0051 0.0040 1952 VAL 63 CG2 -0.0048 0.0053 0.0037 1953 THR 64 N -0.0028 0.0066 0.0031 1954 THR 64 CA -0.0020 0.0069 0.0031 1955 THR 64 C -0.0017 0.0066 0.0033 1956 THR 64 O -0.0019 0.0067 0.0032 1957 THR 64 CB -0.0019 0.0076 0.0027 1958 THR 64 OG1 -0.0022 0.0077 0.0025 1959 THR 64 CG2 -0.0023 0.0079 0.0024 1960 ASN 65 N 0.0018 0.0039 0.0068 1961 ASN 65 CA 0.0027 0.0031 0.0073 1962 ASN 65 C 0.0040 0.0036 0.0077 1963 ASN 65 O 0.0042 0.0043 0.0077 1964 ASN 65 CB 0.0024 0.0016 0.0074 1965 ASN 65 CG 0.0028 0.0010 0.0076 1966 ASN 65 OD1 0.0035 0.0015 0.0078 1967 ASN 65 ND2 0.0022 -0.0002 0.0075 1968 VAL 66 N 0.0050 0.0033 0.0082 1969 VAL 66 CA 0.0063 0.0035 0.0087 1970 VAL 66 C 0.0069 0.0021 0.0091 1971 VAL 66 O 0.0065 0.0014 0.0091 1972 VAL 66 CB 0.0070 0.0046 0.0088 1973 VAL 66 CG1 0.0063 0.0059 0.0083 1974 VAL 66 CG2 0.0076 0.0042 0.0091 1975 GLY 67 N 0.0076 0.0018 0.0095 1976 GLY 67 CA 0.0083 0.0006 0.0099 1977 GLY 67 C 0.0075 -0.0007 0.0098 1978 GLY 67 O 0.0080 -0.0018 0.0102 1979 GLY 68 N 0.0063 -0.0007 0.0093 1980 GLY 68 CA 0.0055 -0.0019 0.0091 1981 GLY 68 C 0.0045 -0.0020 0.0087 1982 GLY 68 O 0.0044 -0.0011 0.0086 1983 ALA 69 N 0.0043 0.0011 0.0099 1984 ALA 69 CA 0.0037 0.0011 0.0093 1985 ALA 69 C 0.0028 0.0005 0.0084 1986 ALA 69 O 0.0027 -0.0006 0.0084 1987 ALA 69 CB 0.0040 0.0005 0.0097 1988 VAL 70 N 0.0022 0.0012 0.0076 1989 VAL 70 CA 0.0013 0.0008 0.0068 1990 VAL 70 C 0.0007 0.0008 0.0061 1991 VAL 70 O 0.0007 0.0017 0.0059 1992 VAL 70 CB 0.0011 0.0016 0.0064 1993 VAL 70 CG1 0.0002 0.0012 0.0055 1994 VAL 70 CG2 0.0017 0.0014 0.0070 1995 VAL 71 N 0.0002 -0.0003 0.0056 1996 VAL 71 CA -0.0005 -0.0004 0.0049 1997 VAL 71 C -0.0013 -0.0005 0.0040 1998 VAL 71 O -0.0014 -0.0013 0.0039 1999 VAL 71 CB -0.0004 -0.0016 0.0051 2000 VAL 71 CG1 -0.0012 -0.0018 0.0042 2001 VAL 71 CG2 0.0003 -0.0014 0.0059 2002 THR 72 N -0.0019 0.0003 0.0033 2003 THR 72 CA -0.0027 0.0004 0.0024 2004 THR 72 C -0.0034 0.0002 0.0016 2005 THR 72 O -0.0035 0.0010 0.0014 2006 THR 72 CB -0.0027 0.0016 0.0022 2007 THR 72 OG1 -0.0027 0.0026 0.0022 2008 THR 72 CG2 -0.0020 0.0017 0.0030 2009 GLY 73 N -0.0027 0.0001 -0.0024 2010 GLY 73 CA -0.0022 0.0003 -0.0028 2011 GLY 73 C -0.0021 0.0009 -0.0029 2012 GLY 73 O -0.0019 0.0011 -0.0031 2013 VAL 74 N -0.0022 0.0012 -0.0028 2014 VAL 74 CA -0.0020 0.0018 -0.0030 2015 VAL 74 C -0.0016 0.0018 -0.0034 2016 VAL 74 O -0.0015 0.0013 -0.0035 2017 VAL 74 CB -0.0024 0.0022 -0.0027 2018 VAL 74 CG1 -0.0028 0.0021 -0.0023 2019 VAL 74 CG2 -0.0024 0.0021 -0.0027 2020 THR 75 N -0.0013 0.0022 -0.0037 2021 THR 75 CA -0.0009 0.0022 -0.0041 2022 THR 75 C -0.0008 0.0028 -0.0042 2023 THR 75 O -0.0009 0.0032 -0.0041 2024 THR 75 CB -0.0006 0.0019 -0.0044 2025 THR 75 OG1 -0.0007 0.0013 -0.0042 2026 THR 75 CG2 -0.0001 0.0019 -0.0048 2027 ALA 76 N -0.0006 0.0029 -0.0044 2028 ALA 76 CA -0.0004 0.0034 -0.0046 2029 ALA 76 C -0.0007 0.0039 -0.0043 2030 ALA 76 O -0.0006 0.0044 -0.0043 2031 ALA 76 CB 0.0000 0.0036 -0.0049 2032 VAL 77 N -0.0017 0.0046 -0.0039 2033 VAL 77 CA -0.0015 0.0049 -0.0031 2034 VAL 77 C -0.0017 0.0046 -0.0026 2035 VAL 77 O -0.0021 0.0039 -0.0025 2036 VAL 77 CB -0.0015 0.0048 -0.0026 2037 VAL 77 CG1 -0.0013 0.0052 -0.0018 2038 VAL 77 CG2 -0.0013 0.0052 -0.0031 2039 ALA 78 N -0.0014 0.0050 -0.0022 2040 ALA 78 CA -0.0016 0.0047 -0.0018 2041 ALA 78 C -0.0012 0.0051 -0.0010 2042 ALA 78 O -0.0009 0.0057 -0.0011 2043 ALA 78 CB -0.0016 0.0046 -0.0024 2044 GLN 79 N -0.0014 0.0048 -0.0002 2045 GLN 79 CA -0.0011 0.0052 0.0005 2046 GLN 79 C -0.0013 0.0047 0.0010 2047 GLN 79 O -0.0017 0.0041 0.0009 2048 GLN 79 CB -0.0010 0.0053 0.0011 2049 GLN 79 CG -0.0014 0.0046 0.0015 2050 GLN 79 CD -0.0013 0.0047 0.0021 2051 GLN 79 OE1 -0.0009 0.0054 0.0022 2052 GLN 79 NE2 -0.0016 0.0042 0.0025 2053 LYS 80 N -0.0011 0.0051 0.0016 2054 LYS 80 CA -0.0013 0.0047 0.0022 2055 LYS 80 C -0.0010 0.0050 0.0031 2056 LYS 80 O -0.0006 0.0056 0.0032 2057 LYS 80 CB -0.0012 0.0049 0.0021 2058 LYS 80 CG -0.0014 0.0044 0.0026 2059 LYS 80 CD -0.0014 0.0045 0.0025 2060 LYS 80 CE -0.0016 0.0040 0.0031 2061 LYS 80 NZ -0.0016 0.0041 0.0031 2062 THR 81 N -0.0022 0.0034 0.0044 2063 THR 81 CA -0.0004 0.0030 0.0051 2064 THR 81 C -0.0001 0.0009 0.0053 2065 THR 81 O -0.0002 -0.0000 0.0053 2066 THR 81 CB 0.0010 0.0041 0.0056 2067 THR 81 OG1 0.0006 0.0061 0.0054 2068 THR 81 CG2 0.0028 0.0037 0.0063 2069 VAL 82 N 0.0004 0.0001 0.0055 2070 VAL 82 CA 0.0010 -0.0018 0.0058 2071 VAL 82 C 0.0030 -0.0018 0.0066 2072 VAL 82 O 0.0036 -0.0009 0.0068 2073 VAL 82 CB 0.0001 -0.0029 0.0055 2074 VAL 82 CG1 0.0009 -0.0049 0.0059 2075 VAL 82 CG2 -0.0019 -0.0031 0.0047 2076 GLU 83 N 0.0039 -0.0026 0.0070 2077 GLU 83 CA 0.0059 -0.0028 0.0078 2078 GLU 83 C 0.0068 -0.0008 0.0081 2079 GLU 83 O 0.0077 -0.0002 0.0084 2080 GLU 83 CB 0.0065 -0.0040 0.0081 2081 GLU 83 CG 0.0059 -0.0061 0.0079 2082 GLU 83 CD 0.0066 -0.0073 0.0083 2083 GLU 83 OE1 0.0075 -0.0064 0.0086 2084 GLU 83 OE2 0.0063 -0.0090 0.0082 2085 GLY 84 N 0.0065 0.0002 0.0079 2086 GLY 84 CA 0.0074 0.0020 0.0082 2087 GLY 84 C 0.0068 0.0029 0.0079 2088 GLY 84 O 0.0056 0.0021 0.0075 2089 ALA 85 N 0.0036 0.0025 0.0104 2090 ALA 85 CA 0.0037 0.0023 0.0104 2091 ALA 85 C 0.0033 0.0032 0.0100 2092 ALA 85 O 0.0032 0.0042 0.0102 2093 ALA 85 CB 0.0043 0.0021 0.0115 2094 GLY 86 N 0.0030 0.0029 0.0093 2095 GLY 86 CA 0.0026 0.0037 0.0089 2096 GLY 86 C 0.0026 0.0036 0.0090 2097 GLY 86 O 0.0025 0.0028 0.0085 2098 SER 87 N 0.0028 0.0043 0.0096 2099 SER 87 CA 0.0029 0.0043 0.0097 2100 SER 87 C 0.0024 0.0052 0.0092 2101 SER 87 O 0.0025 0.0062 0.0096 2102 SER 87 CB 0.0035 0.0043 0.0108 2103 SER 87 OG 0.0039 0.0034 0.0112 2104 ILE 88 N 0.0020 0.0050 0.0083 2105 ILE 88 CA 0.0015 0.0058 0.0077 2106 ILE 88 C 0.0016 0.0065 0.0081 2107 ILE 88 O 0.0015 0.0075 0.0083 2108 ILE 88 CB 0.0010 0.0053 0.0066 2109 ILE 88 CG1 0.0008 0.0050 0.0061 2110 ILE 88 CG2 0.0005 0.0062 0.0060 2111 ILE 88 CD1 0.0004 0.0043 0.0052 2112 ALA 89 N 0.0016 -0.0004 0.0095 2113 ALA 89 CA 0.0016 -0.0000 0.0096 2114 ALA 89 C 0.0020 -0.0001 0.0099 2115 ALA 89 O 0.0020 -0.0003 0.0099 2116 ALA 89 CB 0.0014 0.0000 0.0094 2117 ALA 90 N 0.0022 -0.0000 0.0101 2118 ALA 90 CA 0.0025 -0.0001 0.0104 2119 ALA 90 C 0.0026 0.0003 0.0106 2120 ALA 90 O 0.0025 0.0006 0.0105 2121 ALA 90 CB 0.0027 -0.0003 0.0105 2122 ALA 91 N 0.0029 0.0002 0.0108 2123 ALA 91 CA 0.0030 0.0006 0.0109 2124 ALA 91 C 0.0033 0.0004 0.0112 2125 ALA 91 O 0.0034 0.0002 0.0112 2126 ALA 91 CB 0.0028 0.0007 0.0108 2127 THR 92 N 0.0035 0.0006 0.0114 2128 THR 92 CA 0.0039 0.0005 0.0117 2129 THR 92 C 0.0040 0.0009 0.0119 2130 THR 92 O 0.0039 0.0012 0.0118 2131 THR 92 CB 0.0040 0.0004 0.0118 2132 THR 92 OG1 0.0040 0.0007 0.0119 2133 THR 92 CG2 0.0039 -0.0000 0.0117 2134 GLY 93 N 0.0077 0.0008 0.0126 2135 GLY 93 CA 0.0064 -0.0013 0.0122 2136 GLY 93 C 0.0042 -0.0019 0.0096 2137 GLY 93 O 0.0029 -0.0043 0.0093 2138 PHE 94 N 0.0038 0.0004 0.0077 2139 PHE 94 CA 0.0018 0.0002 0.0051 2140 PHE 94 C 0.0017 0.0024 0.0038 2141 PHE 94 O 0.0031 0.0048 0.0042 2142 PHE 94 CB 0.0011 0.0010 0.0038 2143 PHE 94 CG 0.0007 -0.0013 0.0046 2144 PHE 94 CD1 -0.0011 -0.0035 0.0034 2145 PHE 94 CD2 0.0022 -0.0011 0.0065 2146 PHE 94 CE1 -0.0015 -0.0056 0.0041 2147 PHE 94 CE2 0.0019 -0.0032 0.0072 2148 PHE 94 CZ 0.0000 -0.0054 0.0060 2149 VAL 95 N 0.0002 0.0014 0.0023 2150 VAL 95 CA -0.0002 0.0033 0.0006 2151 VAL 95 C -0.0024 0.0027 -0.0019 2152 VAL 95 O -0.0037 0.0003 -0.0022 2153 VAL 95 CB 0.0003 0.0029 0.0016 2154 VAL 95 CG1 -0.0004 0.0047 -0.0004 2155 VAL 95 CG2 0.0026 0.0038 0.0040 2156 LYS 96 N -0.0029 0.0049 -0.0038 2157 LYS 96 CA -0.0049 0.0046 -0.0064 2158 LYS 96 C -0.0054 0.0066 -0.0081 2159 LYS 96 O -0.0041 0.0083 -0.0074 2160 LYS 96 CB -0.0053 0.0052 -0.0072 2161 LYS 96 CG -0.0052 0.0030 -0.0058 2162 LYS 96 CD -0.0070 0.0002 -0.0065 2163 LYS 96 CE -0.0068 -0.0020 -0.0050 2164 LYS 96 NZ -0.0070 -0.0012 -0.0058 2165 LYS 97 N -0.0124 0.0103 -0.0101 2166 LYS 97 CA -0.0122 0.0101 -0.0085 2167 LYS 97 C -0.0118 0.0100 -0.0058 2168 LYS 97 O -0.0114 0.0112 -0.0052 2169 LYS 97 CB -0.0117 0.0122 -0.0090 2170 LYS 97 CG -0.0115 0.0121 -0.0076 2171 LYS 97 CD -0.0122 0.0100 -0.0085 2172 LYS 97 CE -0.0120 0.0098 -0.0070 2173 LYS 97 NZ -0.0115 0.0120 -0.0075 2174 ASP 98 N -0.0119 0.0086 -0.0042 2175 ASP 98 CA -0.0115 0.0085 -0.0015 2176 ASP 98 C -0.0113 0.0085 -0.0002 2177 ASP 98 O -0.0115 0.0087 -0.0015 2178 ASP 98 CB -0.0120 0.0062 -0.0007 2179 ASP 98 CG -0.0116 0.0064 0.0018 2180 ASP 98 OD1 -0.0109 0.0083 0.0031 2181 ASP 98 OD2 -0.0119 0.0047 0.0026 2182 GLN 99 N -0.0110 0.0084 0.0023 2183 GLN 99 CA -0.0108 0.0083 0.0037 2184 GLN 99 C -0.0114 0.0059 0.0034 2185 GLN 99 O -0.0115 0.0060 0.0028 2186 GLN 99 CB -0.0103 0.0085 0.0065 2187 GLN 99 CG -0.0100 0.0086 0.0082 2188 GLN 99 CD -0.0095 0.0088 0.0109 2189 GLN 99 OE1 -0.0094 0.0088 0.0116 2190 GLN 99 NE2 -0.0092 0.0090 0.0125 2191 VAL 37 N 0.0083 0.0158 -0.0004 2192 VAL 37 CA 0.0120 0.0123 -0.0001 2193 VAL 37 C 0.0081 0.0098 0.0008 2194 VAL 37 O 0.0100 0.0083 0.0009 2195 VAL 37 CB 0.0170 0.0157 -0.0013 2196 VAL 37 CG1 0.0214 0.0164 -0.0018 2197 VAL 37 CG2 0.0149 0.0215 -0.0022 2198 LEU 38 N 0.0026 0.0094 0.0015 2199 LEU 38 CA -0.0016 0.0072 0.0023 2200 LEU 38 C -0.0007 0.0009 0.0035 2201 LEU 38 O -0.0006 -0.0011 0.0039 2202 LEU 38 CB -0.0077 0.0084 0.0027 2203 LEU 38 CG -0.0111 0.0139 0.0019 2204 LEU 38 CD1 -0.0128 0.0143 0.0020 2205 LEU 38 CD2 -0.0079 0.0192 0.0005 2206 TYR 39 N -0.0000 -0.0024 0.0041 2207 TYR 39 CA 0.0012 -0.0085 0.0052 2208 TYR 39 C -0.0034 -0.0118 0.0063 2209 TYR 39 O -0.0023 -0.0144 0.0067 2210 TYR 39 CB 0.0072 -0.0099 0.0048 2211 TYR 39 CG 0.0122 -0.0080 0.0040 2212 TYR 39 CD1 0.0140 -0.0112 0.0044 2213 TYR 39 CD2 0.0151 -0.0031 0.0027 2214 TYR 39 CE1 0.0185 -0.0096 0.0036 2215 TYR 39 CE2 0.0197 -0.0014 0.0019 2216 TYR 39 CZ 0.0214 -0.0047 0.0024 2217 TYR 39 OH 0.0259 -0.0030 0.0016 2218 VAL 40 N -0.0086 -0.0115 0.0067 2219 VAL 40 CA -0.0133 -0.0146 0.0078 2220 VAL 40 C -0.0126 -0.0209 0.0090 2221 VAL 40 O -0.0136 -0.0245 0.0098 2222 VAL 40 CB -0.0191 -0.0122 0.0079 2223 VAL 40 CG1 -0.0241 -0.0155 0.0091 2224 VAL 40 CG2 -0.0197 -0.0060 0.0067 2225 GLY 41 N 0.0046 -0.0200 0.0016 2226 GLY 41 CA 0.0036 -0.0161 0.0033 2227 GLY 41 C -0.0008 -0.0153 0.0052 2228 GLY 41 O -0.0029 -0.0143 0.0062 2229 SER 42 N -0.0023 -0.0159 0.0054 2230 SER 42 CA -0.0067 -0.0161 0.0069 2231 SER 42 C -0.0084 -0.0121 0.0089 2232 SER 42 O -0.0119 -0.0121 0.0101 2233 SER 42 CB -0.0075 -0.0172 0.0067 2234 SER 42 OG -0.0117 -0.0174 0.0081 2235 LYS 43 N -0.0061 -0.0086 0.0094 2236 LYS 43 CA -0.0070 -0.0047 0.0112 2237 LYS 43 C -0.0030 -0.0018 0.0110 2238 LYS 43 O -0.0013 -0.0010 0.0107 2239 LYS 43 CB -0.0104 -0.0030 0.0130 2240 LYS 43 CG -0.0117 0.0009 0.0149 2241 LYS 43 CD -0.0153 0.0025 0.0167 2242 LYS 43 CE -0.0167 0.0061 0.0185 2243 LYS 43 NZ -0.0136 0.0097 0.0188 2244 THR 44 N -0.0015 -0.0002 0.0110 2245 THR 44 CA 0.0020 0.0030 0.0111 2246 THR 44 C 0.0006 0.0066 0.0129 2247 THR 44 O -0.0021 0.0061 0.0136 2248 THR 44 CB 0.0058 0.0016 0.0092 2249 THR 44 OG1 0.0048 0.0006 0.0092 2250 THR 44 CG2 0.0071 -0.0022 0.0074 2251 LYS 45 N 0.0002 0.0154 0.0138 2252 LYS 45 CA 0.0003 0.0153 0.0135 2253 LYS 45 C 0.0004 0.0170 0.0114 2254 LYS 45 O -0.0001 0.0191 0.0117 2255 LYS 45 CB -0.0003 0.0160 0.0158 2256 LYS 45 CG -0.0003 0.0156 0.0158 2257 LYS 45 CD -0.0008 0.0160 0.0183 2258 LYS 45 CE -0.0007 0.0155 0.0183 2259 LYS 45 NZ -0.0013 0.0158 0.0207 2260 GLU 46 N 0.0010 0.0160 0.0094 2261 GLU 46 CA 0.0012 0.0174 0.0072 2262 GLU 46 C 0.0017 0.0166 0.0054 2263 GLU 46 O 0.0023 0.0146 0.0047 2264 GLU 46 CB 0.0014 0.0175 0.0060 2265 GLU 46 CG 0.0019 0.0151 0.0057 2266 GLU 46 CD 0.0020 0.0155 0.0050 2267 GLU 46 OE1 0.0016 0.0175 0.0049 2268 GLU 46 OE2 0.0024 0.0137 0.0046 2269 GLY 47 N 0.0015 0.0182 0.0048 2270 GLY 47 CA 0.0020 0.0175 0.0033 2271 GLY 47 C 0.0019 0.0165 0.0047 2272 GLY 47 O 0.0024 0.0148 0.0040 2273 VAL 48 N 0.0012 0.0175 0.0067 2274 VAL 48 CA 0.0011 0.0164 0.0085 2275 VAL 48 C 0.0007 0.0181 0.0089 2276 VAL 48 O 0.0002 0.0203 0.0090 2277 VAL 48 CB 0.0007 0.0159 0.0109 2278 VAL 48 CG1 0.0005 0.0148 0.0128 2279 VAL 48 CG2 0.0011 0.0142 0.0105 2280 VAL 49 N 0.0001 0.0114 0.0051 2281 VAL 49 CA 0.0002 0.0107 0.0047 2282 VAL 49 C 0.0019 0.0098 0.0057 2283 VAL 49 O 0.0028 0.0087 0.0057 2284 VAL 49 CB -0.0005 0.0096 0.0029 2285 VAL 49 CG1 -0.0001 0.0087 0.0025 2286 VAL 49 CG2 -0.0022 0.0106 0.0019 2287 HIS 50 N 0.0023 0.0103 0.0066 2288 HIS 50 CA 0.0040 0.0094 0.0075 2289 HIS 50 C 0.0042 0.0093 0.0077 2290 HIS 50 O 0.0036 0.0105 0.0081 2291 HIS 50 CB 0.0049 0.0101 0.0091 2292 HIS 50 CG 0.0046 0.0118 0.0103 2293 HIS 50 ND1 0.0054 0.0122 0.0114 2294 HIS 50 CD2 0.0036 0.0134 0.0106 2295 HIS 50 CE1 0.0049 0.0138 0.0123 2296 HIS 50 NE2 0.0038 0.0146 0.0118 2297 GLY 51 N 0.0053 0.0078 0.0075 2298 GLY 51 CA 0.0056 0.0075 0.0076 2299 GLY 51 C 0.0045 0.0072 0.0062 2300 GLY 51 O 0.0037 0.0082 0.0062 2301 VAL 52 N 0.0044 0.0058 0.0048 2302 VAL 52 CA 0.0033 0.0054 0.0033 2303 VAL 52 C 0.0042 0.0037 0.0028 2304 VAL 52 O 0.0052 0.0024 0.0027 2305 VAL 52 CB 0.0021 0.0054 0.0020 2306 VAL 52 CG1 0.0011 0.0048 0.0004 2307 VAL 52 CG2 0.0011 0.0071 0.0025 2308 ALA 53 N 0.0004 0.0049 0.0029 2309 ALA 53 CA 0.0005 0.0042 0.0029 2310 ALA 53 C 0.0001 0.0038 0.0028 2311 ALA 53 O -0.0001 0.0040 0.0028 2312 ALA 53 CB 0.0012 0.0041 0.0030 2313 THR 54 N -0.0001 0.0033 0.0028 2314 THR 54 CA -0.0006 0.0029 0.0026 2315 THR 54 C -0.0005 0.0022 0.0026 2316 THR 54 O -0.0004 0.0021 0.0026 2317 THR 54 CB -0.0013 0.0031 0.0025 2318 THR 54 OG1 -0.0014 0.0038 0.0026 2319 THR 54 CG2 -0.0018 0.0027 0.0024 2320 VAL 55 N -0.0005 0.0018 0.0026 2321 VAL 55 CA -0.0004 0.0011 0.0026 2322 VAL 55 C -0.0010 0.0008 0.0025 2323 VAL 55 O -0.0011 0.0010 0.0024 2324 VAL 55 CB 0.0002 0.0009 0.0027 2325 VAL 55 CG1 0.0002 0.0002 0.0027 2326 VAL 55 CG2 0.0007 0.0012 0.0028 2327 ALA 56 N -0.0013 0.0004 0.0024 2328 ALA 56 CA -0.0018 0.0001 0.0023 2329 ALA 56 C -0.0017 -0.0006 0.0023 2330 ALA 56 O -0.0018 -0.0008 0.0022 2331 ALA 56 CB -0.0024 0.0003 0.0022 2332 GLU 57 N -0.0058 0.0047 0.0006 2333 GLU 57 CA -0.0058 0.0050 0.0004 2334 GLU 57 C -0.0057 0.0048 0.0009 2335 GLU 57 O -0.0058 0.0043 0.0010 2336 GLU 57 CB -0.0059 0.0048 -0.0002 2337 GLU 57 CG -0.0059 0.0050 -0.0007 2338 GLU 57 CD -0.0061 0.0048 -0.0014 2339 GLU 57 OE1 -0.0062 0.0045 -0.0014 2340 GLU 57 OE2 -0.0061 0.0051 -0.0018 2341 LYS 58 N -0.0056 0.0052 0.0013 2342 LYS 58 CA -0.0055 0.0051 0.0019 2343 LYS 58 C -0.0054 0.0055 0.0018 2344 LYS 58 O -0.0053 0.0061 0.0020 2345 LYS 58 CB -0.0054 0.0052 0.0025 2346 LYS 58 CG -0.0055 0.0047 0.0026 2347 LYS 58 CD -0.0053 0.0048 0.0032 2348 LYS 58 CE -0.0054 0.0043 0.0033 2349 LYS 58 NZ -0.0053 0.0043 0.0039 2350 THR 59 N -0.0055 0.0053 0.0017 2351 THR 59 CA -0.0054 0.0057 0.0017 2352 THR 59 C -0.0053 0.0059 0.0023 2353 THR 59 O -0.0052 0.0064 0.0023 2354 THR 59 CB -0.0055 0.0053 0.0013 2355 THR 59 OG1 -0.0057 0.0051 0.0008 2356 THR 59 CG2 -0.0055 0.0057 0.0012 2357 LYS 60 N -0.0053 0.0055 0.0028 2358 LYS 60 CA -0.0051 0.0058 0.0034 2359 LYS 60 C -0.0051 0.0055 0.0039 2360 LYS 60 O -0.0052 0.0049 0.0040 2361 LYS 60 CB -0.0051 0.0057 0.0036 2362 LYS 60 CG -0.0050 0.0060 0.0041 2363 LYS 60 CD -0.0050 0.0059 0.0042 2364 LYS 60 CE -0.0048 0.0062 0.0048 2365 LYS 60 NZ -0.0048 0.0061 0.0049 2366 GLU 61 N -0.0082 0.0085 0.0023 2367 GLU 61 CA -0.0079 0.0079 0.0029 2368 GLU 61 C -0.0070 0.0081 0.0030 2369 GLU 61 O -0.0064 0.0083 0.0031 2370 GLU 61 CB -0.0080 0.0073 0.0033 2371 GLU 61 CG -0.0078 0.0067 0.0040 2372 GLU 61 CD -0.0079 0.0061 0.0044 2373 GLU 61 OE1 -0.0083 0.0062 0.0042 2374 GLU 61 OE2 -0.0077 0.0055 0.0050 2375 GLN 62 N -0.0067 0.0081 0.0032 2376 GLN 62 CA -0.0059 0.0083 0.0033 2377 GLN 62 C -0.0056 0.0077 0.0039 2378 GLN 62 O -0.0060 0.0075 0.0039 2379 GLN 62 CB -0.0058 0.0090 0.0027 2380 GLN 62 CG -0.0049 0.0093 0.0028 2381 GLN 62 CD -0.0049 0.0099 0.0023 2382 GLN 62 OE1 -0.0055 0.0101 0.0018 2383 GLN 62 NE2 -0.0041 0.0102 0.0023 2384 VAL 63 N -0.0049 0.0075 0.0043 2385 VAL 63 CA -0.0046 0.0069 0.0049 2386 VAL 63 C -0.0036 0.0072 0.0050 2387 VAL 63 O -0.0031 0.0073 0.0051 2388 VAL 63 CB -0.0047 0.0063 0.0054 2389 VAL 63 CG1 -0.0043 0.0057 0.0060 2390 VAL 63 CG2 -0.0056 0.0060 0.0053 2391 THR 64 N -0.0034 0.0074 0.0049 2392 THR 64 CA -0.0025 0.0078 0.0049 2393 THR 64 C -0.0022 0.0073 0.0054 2394 THR 64 O -0.0025 0.0074 0.0052 2395 THR 64 CB -0.0024 0.0085 0.0043 2396 THR 64 OG1 -0.0028 0.0086 0.0041 2397 THR 64 CG2 -0.0027 0.0089 0.0038 2398 ASN 65 N 0.0028 0.0036 0.0085 2399 ASN 65 CA 0.0037 0.0026 0.0094 2400 ASN 65 C 0.0050 0.0033 0.0102 2401 ASN 65 O 0.0053 0.0044 0.0102 2402 ASN 65 CB 0.0034 0.0010 0.0095 2403 ASN 65 CG 0.0037 0.0007 0.0098 2404 ASN 65 OD1 0.0045 0.0016 0.0102 2405 ASN 65 ND2 0.0031 -0.0005 0.0096 2406 VAL 66 N 0.0059 0.0028 0.0110 2407 VAL 66 CA 0.0073 0.0032 0.0119 2408 VAL 66 C 0.0078 0.0016 0.0127 2409 VAL 66 O 0.0074 0.0005 0.0126 2410 VAL 66 CB 0.0080 0.0042 0.0123 2411 VAL 66 CG1 0.0074 0.0056 0.0115 2412 VAL 66 CG2 0.0085 0.0034 0.0129 2413 GLY 67 N 0.0086 0.0016 0.0133 2414 GLY 67 CA 0.0092 0.0003 0.0140 2415 GLY 67 C 0.0084 -0.0012 0.0138 2416 GLY 67 O 0.0089 -0.0024 0.0144 2417 GLY 68 N 0.0072 -0.0012 0.0128 2418 GLY 68 CA 0.0063 -0.0026 0.0125 2419 GLY 68 C 0.0054 -0.0025 0.0117 2420 GLY 68 O 0.0054 -0.0012 0.0115 2421 ALA 69 N 0.0055 0.0000 0.0131 2422 ALA 69 CA 0.0050 0.0002 0.0123 2423 ALA 69 C 0.0038 -0.0006 0.0112 2424 ALA 69 O 0.0035 -0.0020 0.0113 2425 ALA 69 CB 0.0054 -0.0005 0.0131 2426 VAL 70 N 0.0032 0.0003 0.0100 2427 VAL 70 CA 0.0021 -0.0003 0.0089 2428 VAL 70 C 0.0016 -0.0002 0.0081 2429 VAL 70 O 0.0018 0.0010 0.0079 2430 VAL 70 CB 0.0018 0.0006 0.0081 2431 VAL 70 CG1 0.0007 0.0001 0.0068 2432 VAL 70 CG2 0.0023 0.0003 0.0088 2433 VAL 71 N 0.0008 -0.0015 0.0077 2434 VAL 71 CA 0.0001 -0.0016 0.0068 2435 VAL 71 C -0.0009 -0.0018 0.0055 2436 VAL 71 O -0.0013 -0.0028 0.0054 2437 VAL 71 CB 0.0001 -0.0029 0.0073 2438 VAL 71 CG1 -0.0007 -0.0031 0.0063 2439 VAL 71 CG2 0.0011 -0.0027 0.0085 2440 THR 72 N -0.0014 -0.0007 0.0045 2441 THR 72 CA -0.0023 -0.0007 0.0032 2442 THR 72 C -0.0031 -0.0008 0.0023 2443 THR 72 O -0.0029 0.0003 0.0020 2444 THR 72 CB -0.0023 0.0007 0.0027 2445 THR 72 OG1 -0.0020 0.0020 0.0026 2446 THR 72 CG2 -0.0016 0.0008 0.0036 2447 GLY 73 N -0.0036 -0.0012 -0.0011 2448 GLY 73 CA -0.0030 -0.0010 -0.0020 2449 GLY 73 C -0.0026 0.0002 -0.0021 2450 GLY 73 O -0.0022 0.0008 -0.0026 2451 VAL 74 N -0.0028 0.0005 -0.0017 2452 VAL 74 CA -0.0025 0.0015 -0.0018 2453 VAL 74 C -0.0020 0.0013 -0.0027 2454 VAL 74 O -0.0021 0.0004 -0.0029 2455 VAL 74 CB -0.0029 0.0021 -0.0009 2456 VAL 74 CG1 -0.0035 0.0021 -0.0001 2457 VAL 74 CG2 -0.0031 0.0016 -0.0008 2458 THR 75 N -0.0015 0.0021 -0.0032 2459 THR 75 CA -0.0010 0.0020 -0.0041 2460 THR 75 C -0.0007 0.0030 -0.0042 2461 THR 75 O -0.0006 0.0039 -0.0040 2462 THR 75 CB -0.0005 0.0017 -0.0050 2463 THR 75 OG1 -0.0008 0.0007 -0.0048 2464 THR 75 CG2 0.0000 0.0015 -0.0059 2465 ALA 76 N -0.0005 0.0029 -0.0045 2466 ALA 76 CA -0.0001 0.0038 -0.0047 2467 ALA 76 C -0.0004 0.0047 -0.0039 2468 ALA 76 O -0.0002 0.0057 -0.0040 2469 ALA 76 CB 0.0005 0.0043 -0.0056 2470 VAL 77 N -0.0020 0.0060 -0.0037 2471 VAL 77 CA -0.0018 0.0064 -0.0027 2472 VAL 77 C -0.0020 0.0061 -0.0022 2473 VAL 77 O -0.0025 0.0053 -0.0021 2474 VAL 77 CB -0.0019 0.0063 -0.0022 2475 VAL 77 CG1 -0.0017 0.0066 -0.0012 2476 VAL 77 CG2 -0.0017 0.0066 -0.0028 2477 ALA 78 N -0.0017 0.0066 -0.0017 2478 ALA 78 CA -0.0019 0.0063 -0.0013 2479 ALA 78 C -0.0015 0.0069 -0.0004 2480 ALA 78 O -0.0011 0.0075 -0.0005 2481 ALA 78 CB -0.0019 0.0063 -0.0020 2482 GLN 79 N -0.0018 0.0066 0.0005 2483 GLN 79 CA -0.0015 0.0070 0.0014 2484 GLN 79 C -0.0018 0.0066 0.0019 2485 GLN 79 O -0.0022 0.0059 0.0017 2486 GLN 79 CB -0.0015 0.0071 0.0020 2487 GLN 79 CG -0.0020 0.0063 0.0025 2488 GLN 79 CD -0.0019 0.0065 0.0031 2489 GLN 79 OE1 -0.0015 0.0072 0.0033 2490 GLN 79 NE2 -0.0023 0.0058 0.0036 2491 LYS 80 N -0.0015 0.0071 0.0026 2492 LYS 80 CA -0.0017 0.0068 0.0033 2493 LYS 80 C -0.0015 0.0071 0.0043 2494 LYS 80 O -0.0011 0.0078 0.0043 2495 LYS 80 CB -0.0016 0.0070 0.0031 2496 LYS 80 CG -0.0019 0.0065 0.0037 2497 LYS 80 CD -0.0018 0.0067 0.0036 2498 LYS 80 CE -0.0021 0.0063 0.0043 2499 LYS 80 NZ -0.0020 0.0065 0.0042 2500 THR 81 N -0.0018 0.0022 0.0052 2501 THR 81 CA 0.0005 0.0018 0.0063 2502 THR 81 C 0.0008 -0.0010 0.0067 2503 THR 81 O 0.0005 -0.0022 0.0067 2504 THR 81 CB 0.0022 0.0031 0.0069 2505 THR 81 OG1 0.0018 0.0056 0.0065 2506 THR 81 CG2 0.0045 0.0026 0.0081 2507 VAL 82 N 0.0014 -0.0019 0.0071 2508 VAL 82 CA 0.0021 -0.0044 0.0077 2509 VAL 82 C 0.0047 -0.0043 0.0089 2510 VAL 82 O 0.0056 -0.0031 0.0092 2511 VAL 82 CB 0.0011 -0.0056 0.0073 2512 VAL 82 CG1 0.0020 -0.0081 0.0080 2513 VAL 82 CG2 -0.0015 -0.0059 0.0062 2514 GLU 83 N 0.0058 -0.0055 0.0095 2515 GLU 83 CA 0.0082 -0.0057 0.0106 2516 GLU 83 C 0.0094 -0.0032 0.0109 2517 GLU 83 O 0.0107 -0.0024 0.0114 2518 GLU 83 CB 0.0091 -0.0072 0.0112 2519 GLU 83 CG 0.0082 -0.0098 0.0111 2520 GLU 83 CD 0.0092 -0.0113 0.0117 2521 GLU 83 OE1 0.0104 -0.0102 0.0121 2522 GLU 83 OE2 0.0088 -0.0135 0.0117 2523 GLY 84 N 0.0090 -0.0020 0.0106 2524 GLY 84 CA 0.0102 0.0004 0.0109 2525 GLY 84 C 0.0093 0.0014 0.0104 2526 GLY 84 O 0.0078 0.0003 0.0098 2527 ALA 85 N 0.0058 -0.0026 0.0143 2528 ALA 85 CA 0.0059 -0.0029 0.0144 2529 ALA 85 C 0.0052 -0.0015 0.0137 2530 ALA 85 O 0.0052 -0.0001 0.0141 2531 ALA 85 CB 0.0068 -0.0031 0.0159 2532 GLY 86 N 0.0047 -0.0019 0.0128 2533 GLY 86 CA 0.0041 -0.0006 0.0122 2534 GLY 86 C 0.0042 -0.0008 0.0123 2535 GLY 86 O 0.0040 -0.0020 0.0116 2536 SER 87 N 0.0045 0.0003 0.0132 2537 SER 87 CA 0.0047 0.0004 0.0133 2538 SER 87 C 0.0039 0.0018 0.0126 2539 SER 87 O 0.0040 0.0033 0.0132 2540 SER 87 CB 0.0056 0.0005 0.0149 2541 SER 87 OG 0.0063 -0.0009 0.0156 2542 ILE 88 N 0.0032 0.0015 0.0114 2543 ILE 88 CA 0.0024 0.0028 0.0104 2544 ILE 88 C 0.0026 0.0038 0.0111 2545 ILE 88 O 0.0026 0.0053 0.0114 2546 ILE 88 CB 0.0016 0.0020 0.0089 2547 ILE 88 CG1 0.0013 0.0014 0.0082 2548 ILE 88 CG2 0.0009 0.0033 0.0080 2549 ILE 88 CD1 0.0006 0.0005 0.0068 2550 ALA 89 N 0.0009 -0.0002 0.0118 2551 ALA 89 CA 0.0010 0.0004 0.0116 2552 ALA 89 C 0.0015 0.0003 0.0120 2553 ALA 89 O 0.0014 0.0000 0.0120 2554 ALA 89 CB 0.0004 0.0006 0.0112 2555 ALA 90 N 0.0021 0.0004 0.0124 2556 ALA 90 CA 0.0027 0.0003 0.0128 2557 ALA 90 C 0.0031 0.0010 0.0128 2558 ALA 90 O 0.0031 0.0015 0.0126 2559 ALA 90 CB 0.0031 -0.0002 0.0132 2560 ALA 91 N 0.0033 0.0010 0.0130 2561 ALA 91 CA 0.0037 0.0016 0.0130 2562 ALA 91 C 0.0042 0.0014 0.0134 2563 ALA 91 O 0.0041 0.0010 0.0135 2564 ALA 91 CB 0.0033 0.0020 0.0125 2565 THR 92 N 0.0048 0.0017 0.0137 2566 THR 92 CA 0.0054 0.0016 0.0141 2567 THR 92 C 0.0058 0.0023 0.0141 2568 THR 92 O 0.0058 0.0028 0.0140 2569 THR 92 CB 0.0058 0.0012 0.0146 2570 THR 92 OG1 0.0061 0.0016 0.0146 2571 THR 92 CG2 0.0054 0.0005 0.0146 2572 GLY 93 N 0.0095 0.0055 0.0146 2573 GLY 93 CA 0.0081 0.0034 0.0147 2574 GLY 93 C 0.0057 0.0029 0.0120 2575 GLY 93 O 0.0039 0.0005 0.0119 2576 PHE 94 N 0.0055 0.0052 0.0097 2577 PHE 94 CA 0.0033 0.0050 0.0069 2578 PHE 94 C 0.0034 0.0072 0.0049 2579 PHE 94 O 0.0051 0.0095 0.0051 2580 PHE 94 CB 0.0030 0.0058 0.0058 2581 PHE 94 CG 0.0026 0.0036 0.0072 2582 PHE 94 CD1 0.0003 0.0013 0.0063 2583 PHE 94 CD2 0.0044 0.0037 0.0095 2584 PHE 94 CE1 -0.0002 -0.0007 0.0076 2585 PHE 94 CE2 0.0039 0.0016 0.0108 2586 PHE 94 CZ 0.0017 -0.0005 0.0099 2587 VAL 95 N 0.0014 0.0063 0.0032 2588 VAL 95 CA 0.0010 0.0082 0.0009 2589 VAL 95 C -0.0014 0.0076 -0.0017 2590 VAL 95 O -0.0031 0.0052 -0.0018 2591 VAL 95 CB 0.0012 0.0078 0.0015 2592 VAL 95 CG1 0.0005 0.0095 -0.0010 2593 VAL 95 CG2 0.0036 0.0086 0.0039 2594 LYS 96 N -0.0014 0.0097 -0.0038 2595 LYS 96 CA -0.0036 0.0095 -0.0064 2596 LYS 96 C -0.0040 0.0115 -0.0088 2597 LYS 96 O -0.0025 0.0131 -0.0084 2598 LYS 96 CB -0.0036 0.0100 -0.0069 2599 LYS 96 CG -0.0036 0.0079 -0.0049 2600 LYS 96 CD -0.0059 0.0051 -0.0054 2601 LYS 96 CE -0.0058 0.0029 -0.0033 2602 LYS 96 NZ -0.0056 0.0037 -0.0037 2603 LYS 97 N -0.0050 -0.0047 -0.0142 2604 LYS 97 CA -0.0050 -0.0049 -0.0146 2605 LYS 97 C -0.0042 -0.0051 -0.0071 2606 LYS 97 O -0.0050 -0.0022 -0.0021 2607 LYS 97 CB -0.0079 0.0011 -0.0184 2608 LYS 97 CG -0.0080 0.0012 -0.0196 2609 LYS 97 CD -0.0062 -0.0042 -0.0249 2610 LYS 97 CE -0.0063 -0.0041 -0.0260 2611 LYS 97 NZ -0.0093 0.0020 -0.0293 2612 ASP 98 N -0.0026 -0.0086 -0.0063 2613 ASP 98 CA -0.0019 -0.0088 0.0004 2614 ASP 98 C -0.0023 -0.0083 -0.0014 2615 ASP 98 O -0.0032 -0.0075 -0.0075 2616 ASP 98 CB 0.0011 -0.0150 0.0043 2617 ASP 98 CG 0.0016 -0.0146 0.0122 2618 ASP 98 OD1 -0.0003 -0.0095 0.0146 2619 ASP 98 OD2 0.0040 -0.0193 0.0159 2620 GLN 99 N -0.0017 -0.0086 0.0040 2621 GLN 99 CA -0.0019 -0.0083 0.0031 2622 GLN 99 C 0.0003 -0.0143 -0.0010 2623 GLN 99 O -0.0004 -0.0137 -0.0061 2624 GLN 99 CB -0.0015 -0.0077 0.0104 2625 GLN 99 CG -0.0018 -0.0071 0.0099 2626 GLN 99 CD -0.0014 -0.0065 0.0172 2627 GLN 99 OE1 -0.0008 -0.0067 0.0226 2628 GLN 99 NE2 -0.0018 -0.0057 0.0173 2629 VAL 37 N -0.0020 0.0002 -0.0011 2630 VAL 37 CA -0.0013 -0.0020 -0.0002 2631 VAL 37 C -0.0007 -0.0039 -0.0028 2632 VAL 37 O 0.0001 -0.0064 -0.0026 2633 VAL 37 CB -0.0009 -0.0034 0.0026 2634 VAL 37 CG1 -0.0015 -0.0016 0.0052 2635 VAL 37 CG2 -0.0007 -0.0039 0.0025 2636 LEU 38 N -0.0010 -0.0028 -0.0054 2637 LEU 38 CA -0.0005 -0.0044 -0.0082 2638 LEU 38 C -0.0002 -0.0052 -0.0089 2639 LEU 38 O 0.0006 -0.0076 -0.0095 2640 LEU 38 CB -0.0010 -0.0027 -0.0107 2641 LEU 38 CG -0.0010 -0.0028 -0.0115 2642 LEU 38 CD1 -0.0001 -0.0056 -0.0128 2643 LEU 38 CD2 -0.0013 -0.0020 -0.0089 2644 TYR 39 N -0.0009 -0.0032 -0.0087 2645 TYR 39 CA -0.0008 -0.0036 -0.0091 2646 TYR 39 C -0.0003 -0.0048 -0.0122 2647 TYR 39 O 0.0005 -0.0071 -0.0124 2648 TYR 39 CB -0.0002 -0.0053 -0.0067 2649 TYR 39 CG -0.0007 -0.0040 -0.0037 2650 TYR 39 CD1 -0.0013 -0.0020 -0.0030 2651 TYR 39 CD2 -0.0004 -0.0046 -0.0016 2652 TYR 39 CE1 -0.0017 -0.0008 -0.0003 2653 TYR 39 CE2 -0.0009 -0.0034 0.0012 2654 TYR 39 CZ -0.0015 -0.0015 0.0018 2655 TYR 39 OH -0.0019 -0.0003 0.0046 2656 VAL 40 N -0.0008 -0.0032 -0.0145 2657 VAL 40 CA -0.0005 -0.0041 -0.0175 2658 VAL 40 C -0.0006 -0.0038 -0.0181 2659 VAL 40 O 0.0000 -0.0057 -0.0195 2660 VAL 40 CB -0.0011 -0.0024 -0.0197 2661 VAL 40 CG1 -0.0008 -0.0033 -0.0228 2662 VAL 40 CG2 -0.0009 -0.0028 -0.0190 2663 GLY 41 N -0.0020 0.0005 -0.0160 2664 GLY 41 CA -0.0018 -0.0000 -0.0151 2665 GLY 41 C -0.0007 0.0001 -0.0120 2666 GLY 41 O -0.0002 0.0016 -0.0110 2667 SER 42 N -0.0004 -0.0014 -0.0104 2668 SER 42 CA 0.0007 -0.0010 -0.0074 2669 SER 42 C 0.0011 -0.0018 -0.0058 2670 SER 42 O 0.0020 -0.0003 -0.0040 2671 SER 42 CB 0.0008 -0.0028 -0.0063 2672 SER 42 OG 0.0019 -0.0024 -0.0034 2673 LYS 43 N 0.0005 -0.0042 -0.0066 2674 LYS 43 CA 0.0008 -0.0048 -0.0057 2675 LYS 43 C -0.0002 -0.0069 -0.0077 2676 LYS 43 O -0.0006 -0.0093 -0.0080 2677 LYS 43 CB 0.0016 -0.0061 -0.0027 2678 LYS 43 CG 0.0019 -0.0064 -0.0016 2679 LYS 43 CD 0.0028 -0.0076 0.0013 2680 LYS 43 CE 0.0032 -0.0076 0.0024 2681 LYS 43 NZ 0.0024 -0.0096 0.0010 2682 THR 44 N -0.0006 -0.0060 -0.0091 2683 THR 44 CA -0.0014 -0.0079 -0.0108 2684 THR 44 C -0.0010 -0.0079 -0.0097 2685 THR 44 O -0.0004 -0.0058 -0.0086 2686 THR 44 CB -0.0023 -0.0069 -0.0138 2687 THR 44 OG1 -0.0021 -0.0041 -0.0142 2688 THR 44 CG2 -0.0027 -0.0067 -0.0149 2689 LYS 45 N -0.0002 -0.0068 -0.0096 2690 LYS 45 CA 0.0001 -0.0070 -0.0083 2691 LYS 45 C -0.0008 -0.0076 -0.0082 2692 LYS 45 O -0.0018 -0.0084 -0.0078 2693 LYS 45 CB 0.0002 -0.0072 -0.0070 2694 LYS 45 CG 0.0007 -0.0073 -0.0056 2695 LYS 45 CD 0.0009 -0.0074 -0.0044 2696 LYS 45 CE 0.0015 -0.0074 -0.0031 2697 LYS 45 NZ 0.0017 -0.0075 -0.0019 2698 GLU 46 N -0.0006 -0.0073 -0.0086 2699 GLU 46 CA -0.0015 -0.0078 -0.0089 2700 GLU 46 C -0.0010 -0.0077 -0.0084 2701 GLU 46 O -0.0002 -0.0070 -0.0088 2702 GLU 46 CB -0.0020 -0.0077 -0.0105 2703 GLU 46 CG -0.0010 -0.0068 -0.0115 2704 GLU 46 CD -0.0016 -0.0068 -0.0131 2705 GLU 46 OE1 -0.0027 -0.0075 -0.0133 2706 GLU 46 OE2 -0.0009 -0.0061 -0.0140 2707 GLY 47 N -0.0017 -0.0083 -0.0075 2708 GLY 47 CA -0.0013 -0.0082 -0.0069 2709 GLY 47 C -0.0004 -0.0080 -0.0055 2710 GLY 47 O 0.0005 -0.0075 -0.0053 2711 VAL 48 N -0.0006 -0.0084 -0.0047 2712 VAL 48 CA 0.0004 -0.0080 -0.0035 2713 VAL 48 C -0.0001 -0.0087 -0.0021 2714 VAL 48 O -0.0012 -0.0095 -0.0020 2715 VAL 48 CB 0.0007 -0.0077 -0.0037 2716 VAL 48 CG1 0.0016 -0.0074 -0.0025 2717 VAL 48 CG2 0.0012 -0.0070 -0.0051 2718 VAL 49 N 0.0048 -0.0055 -0.0023 2719 VAL 49 CA 0.0045 -0.0054 -0.0016 2720 VAL 49 C 0.0042 -0.0048 -0.0007 2721 VAL 49 O 0.0045 -0.0040 -0.0007 2722 VAL 49 CB 0.0048 -0.0049 -0.0020 2723 VAL 49 CG1 0.0045 -0.0047 -0.0012 2724 VAL 49 CG2 0.0050 -0.0056 -0.0027 2725 HIS 50 N 0.0037 -0.0052 0.0000 2726 HIS 50 CA 0.0035 -0.0047 0.0009 2727 HIS 50 C 0.0030 -0.0049 0.0018 2728 HIS 50 O 0.0026 -0.0057 0.0019 2729 HIS 50 CB 0.0033 -0.0048 0.0010 2730 HIS 50 CG 0.0029 -0.0058 0.0012 2731 HIS 50 ND1 0.0024 -0.0061 0.0021 2732 HIS 50 CD2 0.0029 -0.0066 0.0006 2733 HIS 50 CE1 0.0021 -0.0070 0.0020 2734 HIS 50 NE2 0.0024 -0.0073 0.0011 2735 GLY 51 N 0.0029 -0.0041 0.0024 2736 GLY 51 CA 0.0025 -0.0041 0.0032 2737 GLY 51 C 0.0025 -0.0042 0.0031 2738 GLY 51 O 0.0022 -0.0050 0.0032 2739 VAL 52 N 0.0029 -0.0035 0.0028 2740 VAL 52 CA 0.0030 -0.0035 0.0026 2741 VAL 52 C 0.0030 -0.0027 0.0033 2742 VAL 52 O 0.0033 -0.0018 0.0033 2743 VAL 52 CB 0.0036 -0.0034 0.0016 2744 VAL 52 CG1 0.0037 -0.0034 0.0014 2745 VAL 52 CG2 0.0036 -0.0043 0.0010 2746 ALA 53 N 0.0073 -0.0019 0.0020 2747 ALA 53 CA 0.0074 -0.0016 0.0028 2748 ALA 53 C 0.0074 -0.0006 0.0042 2749 ALA 53 O 0.0067 0.0000 0.0043 2750 ALA 53 CB 0.0065 -0.0012 0.0021 2751 THR 54 N 0.0082 -0.0007 0.0052 2752 THR 54 CA 0.0083 0.0001 0.0065 2753 THR 54 C 0.0087 0.0003 0.0074 2754 THR 54 O 0.0095 -0.0004 0.0074 2755 THR 54 CB 0.0093 -0.0004 0.0071 2756 THR 54 OG1 0.0089 -0.0006 0.0063 2757 THR 54 CG2 0.0094 0.0004 0.0085 2758 VAL 55 N 0.0080 0.0014 0.0081 2759 VAL 55 CA 0.0083 0.0018 0.0090 2760 VAL 55 C 0.0084 0.0025 0.0104 2761 VAL 55 O 0.0076 0.0033 0.0105 2762 VAL 55 CB 0.0073 0.0023 0.0086 2763 VAL 55 CG1 0.0075 0.0028 0.0096 2764 VAL 55 CG2 0.0072 0.0015 0.0073 2765 ALA 56 N 0.0093 0.0024 0.0114 2766 ALA 56 CA 0.0095 0.0030 0.0127 2767 ALA 56 C 0.0099 0.0033 0.0137 2768 ALA 56 O 0.0109 0.0026 0.0139 2769 ALA 56 CB 0.0105 0.0025 0.0131 2770 GLU 57 N 0.0142 -0.0048 0.0122 2771 GLU 57 CA 0.0140 -0.0068 0.0108 2772 GLU 57 C 0.0129 -0.0076 0.0104 2773 GLU 57 O 0.0139 -0.0075 0.0102 2774 GLU 57 CB 0.0162 -0.0075 0.0098 2775 GLU 57 CG 0.0172 -0.0069 0.0101 2776 GLU 57 CD 0.0194 -0.0076 0.0091 2777 GLU 57 OE1 0.0202 -0.0085 0.0083 2778 GLU 57 OE2 0.0203 -0.0074 0.0091 2779 LYS 58 N 0.0108 -0.0083 0.0102 2780 LYS 58 CA 0.0095 -0.0090 0.0099 2781 LYS 58 C 0.0085 -0.0109 0.0087 2782 LYS 58 O 0.0069 -0.0112 0.0087 2783 LYS 58 CB 0.0076 -0.0078 0.0112 2784 LYS 58 CG 0.0085 -0.0059 0.0125 2785 LYS 58 CD 0.0067 -0.0048 0.0137 2786 LYS 58 CE 0.0076 -0.0029 0.0149 2787 LYS 58 NZ 0.0059 -0.0018 0.0161 2788 THR 59 N 0.0093 -0.0122 0.0075 2789 THR 59 CA 0.0085 -0.0141 0.0062 2790 THR 59 C 0.0062 -0.0145 0.0063 2791 THR 59 O 0.0049 -0.0157 0.0057 2792 THR 59 CB 0.0101 -0.0152 0.0050 2793 THR 59 OG1 0.0123 -0.0147 0.0050 2794 THR 59 CG2 0.0096 -0.0172 0.0036 2795 LYS 60 N 0.0055 -0.0137 0.0071 2796 LYS 60 CA 0.0032 -0.0140 0.0073 2797 LYS 60 C 0.0026 -0.0123 0.0087 2798 LYS 60 O 0.0036 -0.0118 0.0089 2799 LYS 60 CB 0.0029 -0.0156 0.0061 2800 LYS 60 CG 0.0005 -0.0162 0.0061 2801 LYS 60 CD 0.0003 -0.0179 0.0048 2802 LYS 60 CE -0.0021 -0.0185 0.0049 2803 LYS 60 NZ -0.0024 -0.0202 0.0036 2804 GLU 61 N 0.0067 -0.0186 0.0088 2805 GLU 61 CA 0.0067 -0.0186 0.0091 2806 GLU 61 C 0.0054 -0.0178 0.0072 2807 GLU 61 O 0.0039 -0.0163 0.0071 2808 GLU 61 CB 0.0065 -0.0175 0.0115 2809 GLU 61 CG 0.0065 -0.0175 0.0118 2810 GLU 61 CD 0.0063 -0.0165 0.0142 2811 GLU 61 OE1 0.0061 -0.0159 0.0156 2812 GLU 61 OE2 0.0063 -0.0164 0.0147 2813 GLN 62 N 0.0059 -0.0188 0.0057 2814 GLN 62 CA 0.0048 -0.0183 0.0037 2815 GLN 62 C 0.0050 -0.0185 0.0037 2816 GLN 62 O 0.0064 -0.0200 0.0035 2817 GLN 62 CB 0.0051 -0.0193 0.0015 2818 GLN 62 CG 0.0039 -0.0187 -0.0007 2819 GLN 62 CD 0.0042 -0.0197 -0.0028 2820 GLN 62 OE1 0.0053 -0.0208 -0.0027 2821 GLN 62 NE2 0.0031 -0.0193 -0.0048 2822 VAL 63 N 0.0037 -0.0172 0.0038 2823 VAL 63 CA 0.0038 -0.0172 0.0037 2824 VAL 63 C 0.0023 -0.0164 0.0018 2825 VAL 63 O 0.0009 -0.0148 0.0021 2826 VAL 63 CB 0.0036 -0.0164 0.0060 2827 VAL 63 CG1 0.0037 -0.0165 0.0059 2828 VAL 63 CG2 0.0051 -0.0172 0.0080 2829 THR 64 N 0.0027 -0.0174 -0.0002 2830 THR 64 CA 0.0014 -0.0167 -0.0022 2831 THR 64 C 0.0019 -0.0175 -0.0030 2832 THR 64 O 0.0031 -0.0190 -0.0041 2833 THR 64 CB 0.0012 -0.0171 -0.0042 2834 THR 64 OG1 0.0027 -0.0190 -0.0052 2835 THR 64 CG2 0.0010 -0.0167 -0.0034 2836 ASN 65 N 0.0018 -0.0162 0.0002 2837 ASN 65 CA 0.0003 -0.0155 0.0002 2838 ASN 65 C -0.0020 -0.0157 -0.0002 2839 ASN 65 O -0.0024 -0.0159 -0.0003 2840 ASN 65 CB 0.0008 -0.0133 0.0007 2841 ASN 65 CG 0.0002 -0.0114 0.0011 2842 ASN 65 OD1 -0.0012 -0.0114 0.0009 2843 ASN 65 ND2 0.0012 -0.0096 0.0016 2844 VAL 66 N -0.0035 -0.0158 -0.0004 2845 VAL 66 CA -0.0058 -0.0155 -0.0007 2846 VAL 66 C -0.0067 -0.0137 -0.0004 2847 VAL 66 O -0.0060 -0.0134 -0.0002 2848 VAL 66 CB -0.0071 -0.0176 -0.0013 2849 VAL 66 CG1 -0.0059 -0.0195 -0.0016 2850 VAL 66 CG2 -0.0080 -0.0180 -0.0015 2851 GLY 67 N -0.0081 -0.0124 -0.0003 2852 GLY 67 CA -0.0092 -0.0106 -0.0000 2853 GLY 67 C -0.0078 -0.0088 0.0006 2854 GLY 67 O -0.0087 -0.0073 0.0008 2855 GLY 68 N -0.0057 -0.0090 0.0008 2856 GLY 68 CA -0.0042 -0.0075 0.0014 2857 GLY 68 C -0.0026 -0.0067 0.0018 2858 GLY 68 O -0.0026 -0.0072 0.0017 2859 ALA 69 N -0.0043 -0.0077 0.0006 2860 ALA 69 CA -0.0037 -0.0071 0.0009 2861 ALA 69 C -0.0028 -0.0072 0.0011 2862 ALA 69 O -0.0026 -0.0070 0.0012 2863 ALA 69 CB -0.0041 -0.0062 0.0011 2864 VAL 70 N -0.0022 -0.0076 0.0012 2865 VAL 70 CA -0.0013 -0.0078 0.0014 2866 VAL 70 C -0.0007 -0.0072 0.0017 2867 VAL 70 O -0.0008 -0.0071 0.0017 2868 VAL 70 CB -0.0010 -0.0087 0.0012 2869 VAL 70 CG1 -0.0000 -0.0089 0.0014 2870 VAL 70 CG2 -0.0015 -0.0093 0.0009 2871 VAL 71 N -0.0001 -0.0068 0.0020 2872 VAL 71 CA 0.0005 -0.0062 0.0023 2873 VAL 71 C 0.0014 -0.0067 0.0024 2874 VAL 71 O 0.0017 -0.0069 0.0024 2875 VAL 71 CB 0.0005 -0.0053 0.0025 2876 VAL 71 CG1 0.0013 -0.0048 0.0028 2877 VAL 71 CG2 -0.0003 -0.0048 0.0024 2878 THR 72 N 0.0019 -0.0069 0.0024 2879 THR 72 CA 0.0028 -0.0074 0.0025 2880 THR 72 C 0.0035 -0.0068 0.0029 2881 THR 72 O 0.0034 -0.0066 0.0029 2882 THR 72 CB 0.0028 -0.0082 0.0023 2883 THR 72 OG1 0.0026 -0.0081 0.0023 2884 THR 72 CG2 0.0021 -0.0088 0.0020 2885 GLY 73 N 0.0026 -0.0046 -0.0017 2886 GLY 73 CA 0.0028 -0.0047 -0.0027 2887 GLY 73 C 0.0027 -0.0051 -0.0027 2888 GLY 73 O 0.0026 -0.0059 -0.0032 2889 VAL 74 N 0.0027 -0.0047 -0.0023 2890 VAL 74 CA 0.0026 -0.0050 -0.0024 2891 VAL 74 C 0.0030 -0.0045 -0.0032 2892 VAL 74 O 0.0032 -0.0037 -0.0035 2893 VAL 74 CB 0.0024 -0.0049 -0.0014 2894 VAL 74 CG1 0.0021 -0.0052 -0.0006 2895 VAL 74 CG2 0.0027 -0.0039 -0.0013 2896 THR 75 N 0.0030 -0.0050 -0.0037 2897 THR 75 CA 0.0033 -0.0046 -0.0046 2898 THR 75 C 0.0032 -0.0049 -0.0047 2899 THR 75 O 0.0029 -0.0057 -0.0044 2900 THR 75 CB 0.0034 -0.0050 -0.0055 2901 THR 75 OG1 0.0034 -0.0048 -0.0055 2902 THR 75 CG2 0.0037 -0.0046 -0.0065 2903 ALA 76 N 0.0035 -0.0042 -0.0049 2904 ALA 76 CA 0.0035 -0.0044 -0.0051 2905 ALA 76 C 0.0032 -0.0047 -0.0043 2906 ALA 76 O 0.0030 -0.0054 -0.0043 2907 ALA 76 CB 0.0035 -0.0050 -0.0060 2908 VAL 77 N -0.0025 -0.0046 -0.0047 2909 VAL 77 CA -0.0023 -0.0055 -0.0032 2910 VAL 77 C -0.0026 -0.0045 -0.0037 2911 VAL 77 O -0.0031 -0.0025 -0.0038 2912 VAL 77 CB -0.0024 -0.0052 -0.0008 2913 VAL 77 CG1 -0.0022 -0.0061 0.0007 2914 VAL 77 CG2 -0.0022 -0.0061 -0.0003 2915 ALA 78 N -0.0022 -0.0058 -0.0040 2916 ALA 78 CA -0.0024 -0.0050 -0.0048 2917 ALA 78 C -0.0021 -0.0064 -0.0039 2918 ALA 78 O -0.0016 -0.0081 -0.0047 2919 ALA 78 CB -0.0024 -0.0049 -0.0073 2920 GLN 79 N -0.0023 -0.0055 -0.0022 2921 GLN 79 CA -0.0020 -0.0067 -0.0013 2922 GLN 79 C -0.0023 -0.0055 -0.0018 2923 GLN 79 O -0.0028 -0.0037 -0.0024 2924 GLN 79 CB -0.0020 -0.0070 0.0012 2925 GLN 79 CG -0.0025 -0.0049 0.0026 2926 GLN 79 CD -0.0024 -0.0053 0.0050 2927 GLN 79 OE1 -0.0020 -0.0072 0.0057 2928 GLN 79 NE2 -0.0029 -0.0036 0.0063 2929 LYS 80 N -0.0020 -0.0067 -0.0015 2930 LYS 80 CA -0.0023 -0.0057 -0.0014 2931 LYS 80 C -0.0021 -0.0066 0.0006 2932 LYS 80 O -0.0016 -0.0084 0.0013 2933 LYS 80 CB -0.0021 -0.0062 -0.0036 2934 LYS 80 CG -0.0025 -0.0049 -0.0037 2935 LYS 80 CD -0.0023 -0.0053 -0.0057 2936 LYS 80 CE -0.0027 -0.0040 -0.0056 2937 LYS 80 NZ -0.0025 -0.0045 -0.0074 2938 THR 81 N -0.0124 -0.0063 0.0020 2939 THR 81 CA -0.0102 -0.0074 0.0032 2940 THR 81 C -0.0106 -0.0084 0.0019 2941 THR 81 O -0.0121 -0.0071 0.0015 2942 THR 81 CB -0.0095 -0.0055 0.0058 2943 THR 81 OG1 -0.0091 -0.0046 0.0071 2944 THR 81 CG2 -0.0072 -0.0067 0.0071 2945 VAL 82 N -0.0091 -0.0107 0.0011 2946 VAL 82 CA -0.0090 -0.0119 0.0001 2947 VAL 82 C -0.0068 -0.0122 0.0020 2948 VAL 82 O -0.0049 -0.0135 0.0029 2949 VAL 82 CB -0.0089 -0.0143 -0.0022 2950 VAL 82 CG1 -0.0086 -0.0155 -0.0030 2951 VAL 82 CG2 -0.0112 -0.0139 -0.0041 2952 GLU 83 N -0.0072 -0.0111 0.0027 2953 GLU 83 CA -0.0053 -0.0113 0.0045 2954 GLU 83 C -0.0038 -0.0104 0.0069 2955 GLU 83 O -0.0017 -0.0117 0.0078 2956 GLU 83 CB -0.0038 -0.0139 0.0036 2957 GLU 83 CG -0.0051 -0.0147 0.0014 2958 GLU 83 CD -0.0035 -0.0172 0.0006 2959 GLU 83 OE1 -0.0015 -0.0184 0.0016 2960 GLU 83 OE2 -0.0044 -0.0180 -0.0011 2961 GLY 84 N -0.0050 -0.0080 0.0080 2962 GLY 84 CA -0.0038 -0.0069 0.0104 2963 GLY 84 C -0.0055 -0.0042 0.0112 2964 GLY 84 O -0.0077 -0.0034 0.0098 2965 ALA 85 N -0.0069 0.0049 0.0219 2966 ALA 85 CA -0.0068 0.0061 0.0215 2967 ALA 85 C -0.0064 0.0042 0.0201 2968 ALA 85 O -0.0065 0.0018 0.0206 2969 ALA 85 CB -0.0076 0.0067 0.0241 2970 GLY 86 N -0.0058 0.0053 0.0183 2971 GLY 86 CA -0.0054 0.0036 0.0168 2972 GLY 86 C -0.0053 0.0047 0.0166 2973 GLY 86 O -0.0050 0.0067 0.0154 2974 SER 87 N -0.0057 0.0033 0.0178 2975 SER 87 CA -0.0056 0.0040 0.0177 2976 SER 87 C -0.0051 0.0019 0.0160 2977 SER 87 O -0.0053 -0.0003 0.0169 2978 SER 87 CB -0.0064 0.0041 0.0203 2979 SER 87 OG -0.0069 0.0061 0.0218 2980 ILE 88 N -0.0044 0.0027 0.0137 2981 ILE 88 CA -0.0039 0.0008 0.0119 2982 ILE 88 C -0.0040 -0.0002 0.0125 2983 ILE 88 O -0.0042 -0.0025 0.0130 2984 ILE 88 CB -0.0031 0.0020 0.0092 2985 ILE 88 CG1 -0.0029 0.0022 0.0085 2986 ILE 88 CG2 -0.0025 0.0002 0.0073 2987 ILE 88 CD1 -0.0022 0.0036 0.0061 2988 ALA 89 N -0.0000 0.0037 0.0124 2989 ALA 89 CA -0.0004 0.0020 0.0120 2990 ALA 89 C -0.0021 0.0005 0.0094 2991 ALA 89 O -0.0024 -0.0022 0.0093 2992 ALA 89 CB 0.0008 -0.0003 0.0143 2993 ALA 90 N -0.0032 0.0022 0.0073 2994 ALA 90 CA -0.0049 0.0011 0.0047 2995 ALA 90 C -0.0057 0.0006 0.0036 2996 ALA 90 O -0.0051 0.0022 0.0043 2997 ALA 90 CB -0.0058 0.0033 0.0029 2998 ALA 91 N -0.0069 -0.0015 0.0018 2999 ALA 91 CA -0.0077 -0.0022 0.0007 3000 ALA 91 C -0.0094 -0.0035 -0.0020 3001 ALA 91 O -0.0098 -0.0058 -0.0022 3002 ALA 91 CB -0.0068 -0.0045 0.0025 3003 THR 92 N -0.0105 -0.0020 -0.0040 3004 THR 92 CA -0.0122 -0.0030 -0.0067 3005 THR 92 C -0.0129 -0.0035 -0.0077 3006 THR 92 O -0.0124 -0.0020 -0.0071 3007 THR 92 CB -0.0131 -0.0006 -0.0084 3008 THR 92 OG1 -0.0130 0.0021 -0.0087 3009 THR 92 CG2 -0.0123 0.0003 -0.0073 3010 GLY 93 N -0.0202 0.0052 -0.0063 3011 GLY 93 CA -0.0185 0.0049 -0.0009 3012 GLY 93 C -0.0162 0.0053 -0.0033 3013 GLY 93 O -0.0117 0.0056 -0.0003 3014 PHE 94 N -0.0192 0.0054 -0.0088 3015 PHE 94 CA -0.0177 0.0058 -0.0115 3016 PHE 94 C -0.0183 0.0063 -0.0191 3017 PHE 94 O -0.0230 0.0060 -0.0218 3018 PHE 94 CB -0.0226 0.0051 -0.0089 3019 PHE 94 CG -0.0217 0.0047 -0.0016 3020 PHE 94 CD1 -0.0173 0.0050 0.0003 3021 PHE 94 CD2 -0.0252 0.0039 0.0033 3022 PHE 94 CE1 -0.0164 0.0045 0.0070 3023 PHE 94 CE2 -0.0244 0.0035 0.0100 3024 PHE 94 CZ -0.0200 0.0038 0.0118 3025 VAL 95 N -0.0135 0.0070 -0.0226 3026 VAL 95 CA -0.0138 0.0075 -0.0299 3027 VAL 95 C -0.0120 0.0078 -0.0313 3028 VAL 95 O -0.0065 0.0082 -0.0295 3029 VAL 95 CB -0.0091 0.0083 -0.0337 3030 VAL 95 CG1 -0.0090 0.0088 -0.0411 3031 VAL 95 CG2 -0.0112 0.0080 -0.0329 3032 LYS 96 N -0.0166 0.0076 -0.0346 3033 LYS 96 CA -0.0156 0.0078 -0.0362 3034 LYS 96 C -0.0161 0.0083 -0.0437 3035 LYS 96 O -0.0174 0.0085 -0.0476 3036 LYS 96 CB -0.0207 0.0070 -0.0325 3037 LYS 96 CG -0.0199 0.0065 -0.0249 3038 LYS 96 CD -0.0140 0.0070 -0.0226 3039 LYS 96 CE -0.0132 0.0065 -0.0150 3040 LYS 96 NZ -0.0186 0.0057 -0.0115 3041 LYS 97 N 0.0409 -0.0017 -0.0671 3042 LYS 97 CA 0.0381 0.0018 -0.0441 3043 LYS 97 C 0.0355 0.0015 -0.0516 3044 LYS 97 O 0.0248 0.0014 -0.0718 3045 LYS 97 CB 0.0153 0.0088 -0.0293 3046 LYS 97 CG 0.0118 0.0128 -0.0037 3047 LYS 97 CD 0.0325 0.0105 0.0152 3048 LYS 97 CE 0.0290 0.0144 0.0403 3049 LYS 97 NZ 0.0057 0.0212 0.0527 3050 ASP 98 N 0.0457 0.0012 -0.0355 3051 ASP 98 CA 0.0430 0.0014 -0.0385 3052 ASP 98 C 0.0380 0.0059 -0.0122 3053 ASP 98 O 0.0359 0.0086 0.0064 3054 ASP 98 CB 0.0662 -0.0053 -0.0508 3055 ASP 98 CG 0.0616 -0.0057 -0.0625 3056 ASP 98 OD1 0.0406 -0.0007 -0.0603 3057 ASP 98 OD2 0.0790 -0.0111 -0.0739 3058 GLN 99 N 0.0355 0.0066 -0.0108 3059 GLN 99 CA 0.0314 0.0105 0.0131 3060 GLN 99 C 0.0539 0.0078 0.0315 3061 GLN 99 O 0.0512 0.0111 0.0537 3062 GLN 99 CB 0.0255 0.0112 0.0081 3063 GLN 99 CG 0.0197 0.0155 0.0319 3064 GLN 99 CD 0.0137 0.0161 0.0263 3065 GLN 99 OE1 0.0146 0.0132 0.0045 3066 GLN 99 NE2 0.0075 0.0200 0.0459 3067 VAL 37 N -0.0051 0.0064 -0.0019 3068 VAL 37 CA -0.0045 0.0059 -0.0020 3069 VAL 37 C -0.0035 0.0054 -0.0031 3070 VAL 37 O -0.0027 0.0047 -0.0032 3071 VAL 37 CB -0.0044 0.0052 -0.0007 3072 VAL 37 CG1 -0.0054 0.0057 0.0002 3073 VAL 37 CG2 -0.0040 0.0046 0.0000 3074 LEU 38 N -0.0036 0.0059 -0.0041 3075 LEU 38 CA -0.0027 0.0055 -0.0052 3076 LEU 38 C -0.0024 0.0057 -0.0062 3077 LEU 38 O -0.0015 0.0050 -0.0066 3078 LEU 38 CB -0.0029 0.0060 -0.0059 3079 LEU 38 CG -0.0026 0.0055 -0.0054 3080 LEU 38 CD1 -0.0014 0.0046 -0.0057 3081 LEU 38 CD2 -0.0032 0.0054 -0.0040 3082 TYR 39 N -0.0033 0.0065 -0.0066 3083 TYR 39 CA -0.0032 0.0068 -0.0075 3084 TYR 39 C -0.0024 0.0067 -0.0088 3085 TYR 39 O -0.0016 0.0061 -0.0092 3086 TYR 39 CB -0.0029 0.0063 -0.0068 3087 TYR 39 CG -0.0038 0.0066 -0.0057 3088 TYR 39 CD1 -0.0047 0.0075 -0.0059 3089 TYR 39 CD2 -0.0038 0.0061 -0.0043 3090 TYR 39 CE1 -0.0055 0.0078 -0.0048 3091 TYR 39 CE2 -0.0046 0.0064 -0.0033 3092 TYR 39 CZ -0.0054 0.0072 -0.0035 3093 TYR 39 OH -0.0062 0.0075 -0.0025 3094 VAL 40 N -0.0027 0.0072 -0.0096 3095 VAL 40 CA -0.0020 0.0071 -0.0109 3096 VAL 40 C -0.0021 0.0076 -0.0119 3097 VAL 40 O -0.0013 0.0073 -0.0127 3098 VAL 40 CB -0.0022 0.0075 -0.0113 3099 VAL 40 CG1 -0.0015 0.0074 -0.0127 3100 VAL 40 CG2 -0.0020 0.0069 -0.0103 3101 GLY 41 N -0.0019 0.0108 -0.0106 3102 GLY 41 CA -0.0016 0.0098 -0.0102 3103 GLY 41 C -0.0002 0.0096 -0.0086 3104 GLY 41 O 0.0002 0.0101 -0.0081 3105 SER 42 N 0.0004 0.0092 -0.0077 3106 SER 42 CA 0.0018 0.0094 -0.0062 3107 SER 42 C 0.0024 0.0082 -0.0054 3108 SER 42 O 0.0033 0.0088 -0.0045 3109 SER 42 CB 0.0023 0.0089 -0.0055 3110 SER 42 OG 0.0037 0.0091 -0.0040 3111 LYS 43 N 0.0019 0.0064 -0.0058 3112 LYS 43 CA 0.0021 0.0053 -0.0054 3113 LYS 43 C 0.0011 0.0038 -0.0065 3114 LYS 43 O 0.0008 0.0026 -0.0066 3115 LYS 43 CB 0.0034 0.0044 -0.0039 3116 LYS 43 CG 0.0037 0.0035 -0.0034 3117 LYS 43 CD 0.0050 0.0026 -0.0019 3118 LYS 43 CE 0.0054 0.0019 -0.0013 3119 LYS 43 NZ 0.0045 0.0002 -0.0021 3120 THR 44 N 0.0004 0.0038 -0.0072 3121 THR 44 CA -0.0005 0.0023 -0.0082 3122 THR 44 C -0.0002 0.0015 -0.0077 3123 THR 44 O 0.0004 0.0025 -0.0071 3124 THR 44 CB -0.0019 0.0030 -0.0098 3125 THR 44 OG1 -0.0019 0.0044 -0.0100 3126 THR 44 CG2 -0.0022 0.0039 -0.0103 3127 LYS 45 N 0.0021 -0.0027 -0.0073 3128 LYS 45 CA 0.0024 -0.0031 -0.0063 3129 LYS 45 C 0.0015 -0.0038 -0.0062 3130 LYS 45 O 0.0008 -0.0045 -0.0059 3131 LYS 45 CB 0.0028 -0.0034 -0.0053 3132 LYS 45 CG 0.0032 -0.0037 -0.0042 3133 LYS 45 CD 0.0037 -0.0039 -0.0033 3134 LYS 45 CE 0.0042 -0.0042 -0.0023 3135 LYS 45 NZ 0.0047 -0.0044 -0.0014 3136 GLU 46 N 0.0015 -0.0036 -0.0066 3137 GLU 46 CA 0.0005 -0.0042 -0.0068 3138 GLU 46 C 0.0007 -0.0043 -0.0064 3139 GLU 46 O 0.0013 -0.0037 -0.0067 3140 GLU 46 CB -0.0000 -0.0038 -0.0080 3141 GLU 46 CG 0.0006 -0.0029 -0.0088 3142 GLU 46 CD 0.0000 -0.0026 -0.0099 3143 GLU 46 OE1 -0.0008 -0.0031 -0.0101 3144 GLU 46 OE2 0.0004 -0.0019 -0.0107 3145 GLY 47 N 0.0002 -0.0050 -0.0057 3146 GLY 47 CA 0.0004 -0.0052 -0.0053 3147 GLY 47 C 0.0013 -0.0051 -0.0042 3148 GLY 47 O 0.0019 -0.0048 -0.0041 3149 VAL 48 N 0.0014 -0.0055 -0.0036 3150 VAL 48 CA 0.0023 -0.0053 -0.0027 3151 VAL 48 C 0.0020 -0.0061 -0.0016 3152 VAL 48 O 0.0013 -0.0067 -0.0016 3153 VAL 48 CB 0.0028 -0.0049 -0.0028 3154 VAL 48 CG1 0.0038 -0.0047 -0.0019 3155 VAL 48 CG2 0.0031 -0.0041 -0.0039 3156 VAL 49 N 0.0049 -0.0039 -0.0018 3157 VAL 49 CA 0.0047 -0.0040 -0.0012 3158 VAL 49 C 0.0046 -0.0035 -0.0004 3159 VAL 49 O 0.0048 -0.0028 -0.0004 3160 VAL 49 CB 0.0049 -0.0037 -0.0016 3161 VAL 49 CG1 0.0047 -0.0037 -0.0009 3162 VAL 49 CG2 0.0049 -0.0043 -0.0023 3163 HIS 50 N 0.0043 -0.0039 0.0003 3164 HIS 50 CA 0.0043 -0.0034 0.0011 3165 HIS 50 C 0.0040 -0.0037 0.0018 3166 HIS 50 O 0.0038 -0.0045 0.0019 3167 HIS 50 CB 0.0043 -0.0034 0.0013 3168 HIS 50 CG 0.0040 -0.0041 0.0014 3169 HIS 50 ND1 0.0037 -0.0044 0.0022 3170 HIS 50 CD2 0.0040 -0.0047 0.0009 3171 HIS 50 CE1 0.0035 -0.0051 0.0022 3172 HIS 50 NE2 0.0037 -0.0053 0.0014 3173 GLY 51 N 0.0040 -0.0032 0.0023 3174 GLY 51 CA 0.0038 -0.0034 0.0030 3175 GLY 51 C 0.0038 -0.0037 0.0028 3176 GLY 51 O 0.0035 -0.0044 0.0030 3177 VAL 52 N 0.0040 -0.0031 0.0026 3178 VAL 52 CA 0.0040 -0.0033 0.0023 3179 VAL 52 C 0.0040 -0.0027 0.0029 3180 VAL 52 O 0.0042 -0.0020 0.0029 3181 VAL 52 CB 0.0043 -0.0032 0.0014 3182 VAL 52 CG1 0.0043 -0.0033 0.0012 3183 VAL 52 CG2 0.0042 -0.0038 0.0009 3184 ALA 53 N 0.0060 -0.0026 0.0022 3185 ALA 53 CA 0.0061 -0.0023 0.0028 3186 ALA 53 C 0.0060 -0.0018 0.0037 3187 ALA 53 O 0.0055 -0.0014 0.0038 3188 ALA 53 CB 0.0055 -0.0021 0.0025 3189 THR 54 N 0.0066 -0.0018 0.0045 3190 THR 54 CA 0.0066 -0.0013 0.0053 3191 THR 54 C 0.0069 -0.0011 0.0060 3192 THR 54 O 0.0075 -0.0015 0.0060 3193 THR 54 CB 0.0072 -0.0016 0.0056 3194 THR 54 OG1 0.0070 -0.0017 0.0050 3195 THR 54 CG2 0.0073 -0.0011 0.0065 3196 VAL 55 N 0.0064 -0.0005 0.0065 3197 VAL 55 CA 0.0066 -0.0002 0.0072 3198 VAL 55 C 0.0066 0.0002 0.0081 3199 VAL 55 O 0.0060 0.0007 0.0081 3200 VAL 55 CB 0.0060 0.0001 0.0070 3201 VAL 55 CG1 0.0061 0.0004 0.0078 3202 VAL 55 CG2 0.0060 -0.0004 0.0062 3203 ALA 56 N 0.0073 0.0002 0.0088 3204 ALA 56 CA 0.0074 0.0006 0.0096 3205 ALA 56 C 0.0076 0.0008 0.0103 3206 ALA 56 O 0.0083 0.0004 0.0105 3207 ALA 56 CB 0.0080 0.0002 0.0098 3208 GLU 57 N 0.0073 -0.0042 0.0121 3209 GLU 57 CA 0.0069 -0.0055 0.0104 3210 GLU 57 C 0.0064 -0.0062 0.0097 3211 GLU 57 O 0.0077 -0.0062 0.0095 3212 GLU 57 CB 0.0088 -0.0061 0.0095 3213 GLU 57 CG 0.0092 -0.0056 0.0100 3214 GLU 57 CD 0.0111 -0.0062 0.0090 3215 GLU 57 OE1 0.0121 -0.0068 0.0081 3216 GLU 57 OE2 0.0115 -0.0060 0.0092 3217 LYS 58 N 0.0045 -0.0067 0.0093 3218 LYS 58 CA 0.0037 -0.0072 0.0088 3219 LYS 58 C 0.0027 -0.0085 0.0073 3220 LYS 58 O 0.0010 -0.0087 0.0073 3221 LYS 58 CB 0.0023 -0.0063 0.0101 3222 LYS 58 CG 0.0033 -0.0050 0.0116 3223 LYS 58 CD 0.0018 -0.0042 0.0128 3224 LYS 58 CE 0.0029 -0.0029 0.0143 3225 LYS 58 NZ 0.0015 -0.0021 0.0155 3226 THR 59 N 0.0037 -0.0095 0.0060 3227 THR 59 CA 0.0028 -0.0108 0.0044 3228 THR 59 C 0.0009 -0.0111 0.0043 3229 THR 59 O -0.0005 -0.0119 0.0035 3230 THR 59 CB 0.0045 -0.0117 0.0031 3231 THR 59 OG1 0.0062 -0.0113 0.0033 3232 THR 59 CG2 0.0038 -0.0131 0.0015 3233 LYS 60 N 0.0008 -0.0106 0.0050 3234 LYS 60 CA -0.0011 -0.0108 0.0050 3235 LYS 60 C -0.0013 -0.0096 0.0065 3236 LYS 60 O -0.0000 -0.0093 0.0067 3237 LYS 60 CB -0.0011 -0.0120 0.0035 3238 LYS 60 CG -0.0031 -0.0124 0.0033 3239 LYS 60 CD -0.0030 -0.0136 0.0017 3240 LYS 60 CE -0.0050 -0.0140 0.0015 3241 LYS 60 NZ -0.0050 -0.0153 0.0000 3242 GLU 61 N -0.0002 -0.0095 0.0066 3243 GLU 61 CA 0.0000 -0.0097 0.0068 3244 GLU 61 C -0.0007 -0.0090 0.0053 3245 GLU 61 O -0.0019 -0.0078 0.0052 3246 GLU 61 CB -0.0003 -0.0091 0.0086 3247 GLU 61 CG -0.0001 -0.0093 0.0088 3248 GLU 61 CD -0.0004 -0.0088 0.0106 3249 GLU 61 OE1 -0.0007 -0.0083 0.0117 3250 GLU 61 OE2 -0.0002 -0.0089 0.0109 3251 GLN 62 N -0.0001 -0.0098 0.0041 3252 GLN 62 CA -0.0007 -0.0093 0.0025 3253 GLN 62 C -0.0004 -0.0098 0.0024 3254 GLN 62 O 0.0007 -0.0109 0.0023 3255 GLN 62 CB -0.0004 -0.0098 0.0008 3256 GLN 62 CG -0.0011 -0.0093 -0.0009 3257 GLN 62 CD -0.0008 -0.0098 -0.0025 3258 GLN 62 OE1 -0.0001 -0.0106 -0.0024 3259 GLN 62 NE2 -0.0014 -0.0094 -0.0041 3260 VAL 63 N -0.0012 -0.0088 0.0024 3261 VAL 63 CA -0.0010 -0.0091 0.0023 3262 VAL 63 C -0.0019 -0.0083 0.0008 3263 VAL 63 O -0.0029 -0.0071 0.0010 3264 VAL 63 CB -0.0012 -0.0087 0.0041 3265 VAL 63 CG1 -0.0010 -0.0089 0.0039 3266 VAL 63 CG2 -0.0004 -0.0094 0.0056 3267 THR 64 N -0.0014 -0.0090 -0.0008 3268 THR 64 CA -0.0021 -0.0084 -0.0024 3269 THR 64 C -0.0015 -0.0091 -0.0031 3270 THR 64 O -0.0006 -0.0102 -0.0039 3271 THR 64 CB -0.0023 -0.0084 -0.0039 3272 THR 64 OG1 -0.0011 -0.0097 -0.0046 3273 THR 64 CG2 -0.0027 -0.0079 -0.0032 3274 ASN 65 N 0.0023 -0.0078 0.0004 3275 ASN 65 CA 0.0019 -0.0078 0.0001 3276 ASN 65 C 0.0010 -0.0077 -0.0004 3277 ASN 65 O 0.0007 -0.0074 -0.0005 3278 ASN 65 CB 0.0021 -0.0072 0.0005 3279 ASN 65 CG 0.0017 -0.0062 0.0007 3280 ASN 65 OD1 0.0011 -0.0059 0.0004 3281 ASN 65 ND2 0.0021 -0.0057 0.0012 3282 VAL 66 N 0.0005 -0.0079 -0.0009 3283 VAL 66 CA -0.0003 -0.0077 -0.0013 3284 VAL 66 C -0.0006 -0.0072 -0.0013 3285 VAL 66 O -0.0002 -0.0074 -0.0012 3286 VAL 66 CB -0.0008 -0.0084 -0.0020 3287 VAL 66 CG1 -0.0004 -0.0090 -0.0019 3288 VAL 66 CG2 -0.0009 -0.0089 -0.0023 3289 GLY 67 N -0.0012 -0.0065 -0.0014 3290 GLY 67 CA -0.0015 -0.0059 -0.0014 3291 GLY 67 C -0.0010 -0.0055 -0.0008 3292 GLY 67 O -0.0013 -0.0050 -0.0008 3293 GLY 68 N -0.0002 -0.0056 -0.0004 3294 GLY 68 CA 0.0003 -0.0053 0.0002 3295 GLY 68 C 0.0008 -0.0047 0.0007 3296 GLY 68 O 0.0007 -0.0046 0.0007 3297 ALA 69 N 0.0004 -0.0041 0.0012 3298 ALA 69 CA 0.0005 -0.0040 0.0012 3299 ALA 69 C 0.0007 -0.0040 0.0012 3300 ALA 69 O 0.0007 -0.0039 0.0012 3301 ALA 69 CB 0.0005 -0.0038 0.0011 3302 VAL 70 N 0.0008 -0.0040 0.0012 3303 VAL 70 CA 0.0010 -0.0041 0.0012 3304 VAL 70 C 0.0011 -0.0040 0.0012 3305 VAL 70 O 0.0011 -0.0040 0.0012 3306 VAL 70 CB 0.0010 -0.0043 0.0012 3307 VAL 70 CG1 0.0012 -0.0043 0.0012 3308 VAL 70 CG2 0.0009 -0.0043 0.0012 3309 VAL 71 N 0.0012 -0.0039 0.0012 3310 VAL 71 CA 0.0013 -0.0038 0.0012 3311 VAL 71 C 0.0015 -0.0038 0.0012 3312 VAL 71 O 0.0015 -0.0039 0.0012 3313 VAL 71 CB 0.0013 -0.0036 0.0011 3314 VAL 71 CG1 0.0015 -0.0035 0.0011 3315 VAL 71 CG2 0.0012 -0.0035 0.0011 3316 THR 72 N 0.0016 -0.0039 0.0012 3317 THR 72 CA 0.0018 -0.0040 0.0012 3318 THR 72 C 0.0019 -0.0039 0.0012 3319 THR 72 O 0.0020 -0.0039 0.0012 3320 THR 72 CB 0.0018 -0.0042 0.0012 3321 THR 72 OG1 0.0018 -0.0042 0.0012 3322 THR 72 CG2 0.0016 -0.0043 0.0012 3323 GLY 73 N 0.0012 -0.0055 -0.0027 3324 GLY 73 CA 0.0015 -0.0056 -0.0033 3325 GLY 73 C 0.0015 -0.0057 -0.0034 3326 GLY 73 O 0.0016 -0.0061 -0.0036 3327 VAL 74 N 0.0015 -0.0053 -0.0032 3328 VAL 74 CA 0.0015 -0.0054 -0.0034 3329 VAL 74 C 0.0018 -0.0051 -0.0038 3330 VAL 74 O 0.0019 -0.0047 -0.0040 3331 VAL 74 CB 0.0013 -0.0053 -0.0029 3332 VAL 74 CG1 0.0011 -0.0055 -0.0024 3333 VAL 74 CG2 0.0014 -0.0046 -0.0029 3334 THR 75 N 0.0019 -0.0053 -0.0041 3335 THR 75 CA 0.0022 -0.0051 -0.0047 3336 THR 75 C 0.0023 -0.0051 -0.0048 3337 THR 75 O 0.0022 -0.0055 -0.0047 3338 THR 75 CB 0.0024 -0.0054 -0.0051 3339 THR 75 OG1 0.0023 -0.0054 -0.0050 3340 THR 75 CG2 0.0027 -0.0052 -0.0056 3341 ALA 76 N 0.0024 -0.0046 -0.0050 3342 ALA 76 CA 0.0025 -0.0046 -0.0052 3343 ALA 76 C 0.0023 -0.0047 -0.0048 3344 ALA 76 O 0.0023 -0.0051 -0.0048 3345 ALA 76 CB 0.0027 -0.0050 -0.0056 3346 VAL 77 N -0.0006 -0.0057 -0.0045 3347 VAL 77 CA -0.0007 -0.0064 -0.0032 3348 VAL 77 C -0.0007 -0.0056 -0.0031 3349 VAL 77 O -0.0008 -0.0040 -0.0032 3350 VAL 77 CB -0.0008 -0.0062 -0.0015 3351 VAL 77 CG1 -0.0009 -0.0069 -0.0001 3352 VAL 77 CG2 -0.0008 -0.0070 -0.0016 3353 ALA 78 N -0.0007 -0.0065 -0.0031 3354 ALA 78 CA -0.0007 -0.0058 -0.0032 3355 ALA 78 C -0.0007 -0.0068 -0.0023 3356 ALA 78 O -0.0007 -0.0081 -0.0028 3357 ALA 78 CB -0.0006 -0.0057 -0.0050 3358 GLN 79 N -0.0008 -0.0061 -0.0009 3359 GLN 79 CA -0.0009 -0.0069 0.0001 3360 GLN 79 C -0.0009 -0.0060 0.0001 3361 GLN 79 O -0.0009 -0.0045 -0.0003 3362 GLN 79 CB -0.0010 -0.0072 0.0019 3363 GLN 79 CG -0.0011 -0.0056 0.0029 3364 GLN 79 CD -0.0012 -0.0060 0.0046 3365 GLN 79 OE1 -0.0012 -0.0074 0.0051 3366 GLN 79 NE2 -0.0013 -0.0047 0.0056 3367 LYS 80 N -0.0009 -0.0068 0.0006 3368 LYS 80 CA -0.0010 -0.0060 0.0010 3369 LYS 80 C -0.0010 -0.0066 0.0027 3370 LYS 80 O -0.0010 -0.0081 0.0031 3371 LYS 80 CB -0.0009 -0.0063 -0.0003 3372 LYS 80 CG -0.0009 -0.0052 -0.0000 3373 LYS 80 CD -0.0008 -0.0055 -0.0012 3374 LYS 80 CE -0.0009 -0.0044 -0.0008 3375 LYS 80 NZ -0.0008 -0.0047 -0.0019 3376 THR 81 N -0.0064 -0.0089 0.0050 3377 THR 81 CA -0.0050 -0.0093 0.0049 3378 THR 81 C -0.0052 -0.0104 0.0040 3379 THR 81 O -0.0060 -0.0103 0.0038 3380 THR 81 CB -0.0045 -0.0084 0.0058 3381 THR 81 OG1 -0.0043 -0.0075 0.0066 3382 THR 81 CG2 -0.0031 -0.0089 0.0057 3383 VAL 82 N -0.0043 -0.0113 0.0034 3384 VAL 82 CA -0.0042 -0.0123 0.0026 3385 VAL 82 C -0.0028 -0.0123 0.0028 3386 VAL 82 O -0.0016 -0.0124 0.0030 3387 VAL 82 CB -0.0042 -0.0134 0.0017 3388 VAL 82 CG1 -0.0039 -0.0144 0.0009 3389 VAL 82 CG2 -0.0056 -0.0133 0.0014 3390 GLU 83 N -0.0029 -0.0124 0.0028 3391 GLU 83 CA -0.0017 -0.0124 0.0030 3392 GLU 83 C -0.0008 -0.0115 0.0040 3393 GLU 83 O 0.0005 -0.0116 0.0041 3394 GLU 83 CB -0.0008 -0.0136 0.0022 3395 GLU 83 CG -0.0015 -0.0146 0.0012 3396 GLU 83 CD -0.0006 -0.0157 0.0005 3397 GLU 83 OE1 0.0007 -0.0157 0.0007 3398 GLU 83 OE2 -0.0011 -0.0165 -0.0003 3399 GLY 84 N -0.0015 -0.0105 0.0047 3400 GLY 84 CA -0.0007 -0.0095 0.0057 3401 GLY 84 C -0.0018 -0.0084 0.0063 3402 GLY 84 O -0.0030 -0.0085 0.0060 3403 ALA 85 N -0.0034 -0.0066 0.0149 3404 ALA 85 CA -0.0036 -0.0055 0.0149 3405 ALA 85 C -0.0035 -0.0062 0.0142 3406 ALA 85 O -0.0033 -0.0074 0.0146 3407 ALA 85 CB -0.0036 -0.0049 0.0165 3408 GLY 86 N -0.0037 -0.0053 0.0132 3409 GLY 86 CA -0.0037 -0.0058 0.0125 3410 GLY 86 C -0.0038 -0.0048 0.0125 3411 GLY 86 O -0.0040 -0.0036 0.0118 3412 SER 87 N -0.0037 -0.0052 0.0134 3413 SER 87 CA -0.0039 -0.0042 0.0135 3414 SER 87 C -0.0038 -0.0051 0.0127 3415 SER 87 O -0.0036 -0.0062 0.0133 3416 SER 87 CB -0.0038 -0.0040 0.0152 3417 SER 87 OG -0.0039 -0.0030 0.0160 3418 ILE 88 N -0.0039 -0.0045 0.0113 3419 ILE 88 CA -0.0038 -0.0054 0.0103 3420 ILE 88 C -0.0038 -0.0054 0.0109 3421 ILE 88 O -0.0036 -0.0066 0.0113 3422 ILE 88 CB -0.0040 -0.0048 0.0087 3423 ILE 88 CG1 -0.0040 -0.0052 0.0080 3424 ILE 88 CG2 -0.0040 -0.0055 0.0077 3425 ILE 88 CD1 -0.0042 -0.0046 0.0065 3426 ALA 89 N -0.0027 0.0011 0.0104 3427 ALA 89 CA -0.0027 0.0011 0.0103 3428 ALA 89 C -0.0029 -0.0000 0.0082 3429 ALA 89 O -0.0032 -0.0019 0.0082 3430 ALA 89 CB -0.0029 0.0000 0.0122 3431 ALA 90 N -0.0026 0.0012 0.0064 3432 ALA 90 CA -0.0028 0.0004 0.0043 3433 ALA 90 C -0.0026 0.0012 0.0036 3434 ALA 90 O -0.0023 0.0030 0.0042 3435 ALA 90 CB -0.0026 0.0010 0.0026 3436 ALA 91 N -0.0028 -0.0000 0.0022 3437 ALA 91 CA -0.0027 0.0006 0.0015 3438 ALA 91 C -0.0028 -0.0004 -0.0007 3439 ALA 91 O -0.0032 -0.0024 -0.0009 3440 ALA 91 CB -0.0028 -0.0001 0.0031 3441 THR 92 N -0.0026 0.0009 -0.0023 3442 THR 92 CA -0.0027 0.0001 -0.0045 3443 THR 92 C -0.0025 0.0009 -0.0052 3444 THR 92 O -0.0022 0.0026 -0.0046 3445 THR 92 CB -0.0025 0.0008 -0.0061 3446 THR 92 OG1 -0.0021 0.0031 -0.0064 3447 THR 92 CG2 -0.0026 0.0003 -0.0054 3448 GLY 93 N -0.0021 0.0009 -0.0044 3449 GLY 93 CA -0.0010 0.0007 -0.0005 3450 GLY 93 C 0.0007 0.0011 -0.0023 3451 GLY 93 O 0.0039 0.0013 -0.0001 3452 PHE 94 N -0.0016 0.0012 -0.0063 3453 PHE 94 CA -0.0006 0.0015 -0.0084 3454 PHE 94 C -0.0010 0.0019 -0.0139 3455 PHE 94 O -0.0044 0.0017 -0.0158 3456 PHE 94 CB -0.0042 0.0009 -0.0065 3457 PHE 94 CG -0.0035 0.0005 -0.0012 3458 PHE 94 CD1 -0.0003 0.0008 0.0002 3459 PHE 94 CD2 -0.0060 -0.0001 0.0024 3460 PHE 94 CE1 0.0003 0.0004 0.0050 3461 PHE 94 CE2 -0.0054 -0.0005 0.0073 3462 PHE 94 CZ -0.0022 -0.0002 0.0086 3463 VAL 95 N 0.0025 0.0026 -0.0165 3464 VAL 95 CA 0.0022 0.0030 -0.0218 3465 VAL 95 C 0.0034 0.0032 -0.0229 3466 VAL 95 O 0.0074 0.0036 -0.0216 3467 VAL 95 CB 0.0057 0.0036 -0.0245 3468 VAL 95 CG1 0.0057 0.0041 -0.0299 3469 VAL 95 CG2 0.0042 0.0034 -0.0239 3470 LYS 96 N 0.0001 0.0030 -0.0253 3471 LYS 96 CA 0.0007 0.0032 -0.0265 3472 LYS 96 C 0.0003 0.0036 -0.0320 3473 LYS 96 O -0.0006 0.0038 -0.0348 3474 LYS 96 CB -0.0030 0.0025 -0.0238 3475 LYS 96 CG -0.0024 0.0021 -0.0183 3476 LYS 96 CD 0.0019 0.0025 -0.0166 3477 LYS 96 CE 0.0025 0.0021 -0.0111 3478 LYS 96 NZ -0.0015 0.0014 -0.0086 3479 LYS 97 N 0.0087 -0.0080 -0.0419 3480 LYS 97 CA 0.0033 0.0046 -0.0353 3481 LYS 97 C -0.0107 0.0039 -0.0345 3482 LYS 97 O -0.0186 -0.0054 -0.0385 3483 LYS 97 CB 0.0018 0.0102 -0.0324 3484 LYS 97 CG -0.0026 0.0238 -0.0255 3485 LYS 97 CD 0.0086 0.0327 -0.0220 3486 LYS 97 CE 0.0039 0.0462 -0.0151 3487 LYS 97 NZ 0.0018 0.0506 -0.0127 3488 ASP 98 N -0.0136 0.0137 -0.0295 3489 ASP 98 CA -0.0271 0.0151 -0.0278 3490 ASP 98 C -0.0311 0.0288 -0.0208 3491 ASP 98 O -0.0236 0.0362 -0.0177 3492 ASP 98 CB -0.0263 0.0110 -0.0298 3493 ASP 98 CG -0.0406 0.0080 -0.0302 3494 ASP 98 OD1 -0.0512 0.0096 -0.0286 3495 ASP 98 OD2 -0.0411 0.0041 -0.0320 3496 GLN 99 N -0.0430 0.0321 -0.0182 3497 GLN 99 CA -0.0479 0.0449 -0.0116 3498 GLN 99 C -0.0384 0.0541 -0.0078 3499 GLN 99 O -0.0341 0.0640 -0.0034 3500 GLN 99 CB -0.0628 0.0453 -0.0102 3501 GLN 99 CG -0.0690 0.0582 -0.0034 3502 GLN 99 CD -0.0838 0.0583 -0.0022 3503 GLN 99 OE1 -0.0893 0.0487 -0.0065 3504 GLN 99 NE2 -0.0902 0.0691 0.0036 3505 VAL 37 N -0.0085 -0.0029 -0.0006 3506 VAL 37 CA -0.0087 -0.0011 -0.0017 3507 VAL 37 C -0.0068 0.0003 -0.0011 3508 VAL 37 O -0.0063 0.0016 -0.0014 3509 VAL 37 CB -0.0095 -0.0017 -0.0020 3510 VAL 37 CG1 -0.0115 -0.0026 -0.0030 3511 VAL 37 CG2 -0.0087 -0.0032 -0.0007 3512 LEU 38 N -0.0057 0.0001 -0.0002 3513 LEU 38 CA -0.0038 0.0013 0.0005 3514 LEU 38 C -0.0038 0.0034 -0.0006 3515 LEU 38 O -0.0028 0.0049 -0.0006 3516 LEU 38 CB -0.0027 0.0004 0.0017 3517 LEU 38 CG -0.0017 -0.0011 0.0033 3518 LEU 38 CD1 -0.0000 -0.0002 0.0040 3519 LEU 38 CD2 -0.0029 -0.0030 0.0034 3520 TYR 39 N -0.0048 0.0036 -0.0014 3521 TYR 39 CA -0.0051 0.0055 -0.0026 3522 TYR 39 C -0.0033 0.0070 -0.0020 3523 TYR 39 O -0.0026 0.0086 -0.0024 3524 TYR 39 CB -0.0061 0.0065 -0.0038 3525 TYR 39 CG -0.0081 0.0054 -0.0047 3526 TYR 39 CD1 -0.0094 0.0057 -0.0057 3527 TYR 39 CD2 -0.0086 0.0042 -0.0044 3528 TYR 39 CE1 -0.0112 0.0047 -0.0065 3529 TYR 39 CE2 -0.0104 0.0033 -0.0052 3530 TYR 39 CZ -0.0117 0.0035 -0.0063 3531 TYR 39 OH -0.0135 0.0025 -0.0070 3532 VAL 40 N -0.0024 0.0064 -0.0011 3533 VAL 40 CA -0.0007 0.0077 -0.0006 3534 VAL 40 C -0.0011 0.0094 -0.0017 3535 VAL 40 O -0.0001 0.0111 -0.0018 3536 VAL 40 CB 0.0003 0.0064 0.0008 3537 VAL 40 CG1 0.0020 0.0077 0.0014 3538 VAL 40 CG2 0.0007 0.0047 0.0019 3539 GLY 41 N -0.0012 0.0108 -0.0017 3540 GLY 41 CA -0.0010 0.0099 -0.0020 3541 GLY 41 C -0.0001 0.0097 -0.0024 3542 GLY 41 O 0.0000 0.0090 -0.0026 3543 SER 42 N 0.0006 0.0102 -0.0026 3544 SER 42 CA 0.0015 0.0102 -0.0029 3545 SER 42 C 0.0019 0.0093 -0.0033 3546 SER 42 O 0.0023 0.0089 -0.0036 3547 SER 42 CB 0.0021 0.0110 -0.0030 3548 SER 42 OG 0.0030 0.0110 -0.0033 3549 LYS 43 N 0.0017 0.0089 -0.0033 3550 LYS 43 CA 0.0019 0.0080 -0.0036 3551 LYS 43 C 0.0013 0.0076 -0.0035 3552 LYS 43 O 0.0014 0.0081 -0.0034 3553 LYS 43 CB 0.0028 0.0078 -0.0040 3554 LYS 43 CG 0.0030 0.0068 -0.0043 3555 LYS 43 CD 0.0040 0.0067 -0.0048 3556 LYS 43 CE 0.0041 0.0057 -0.0051 3557 LYS 43 NZ 0.0037 0.0052 -0.0050 3558 THR 44 N 0.0007 0.0069 -0.0034 3559 THR 44 CA 0.0002 0.0065 -0.0033 3560 THR 44 C 0.0003 0.0055 -0.0036 3561 THR 44 O 0.0005 0.0051 -0.0038 3562 THR 44 CB -0.0008 0.0066 -0.0029 3563 THR 44 OG1 -0.0012 0.0062 -0.0028 3564 THR 44 CG2 -0.0010 0.0076 -0.0025 3565 LYS 45 N 0.0033 0.0001 -0.0034 3566 LYS 45 CA 0.0035 -0.0005 -0.0030 3567 LYS 45 C 0.0028 -0.0010 -0.0030 3568 LYS 45 O 0.0027 -0.0013 -0.0029 3569 LYS 45 CB 0.0041 -0.0007 -0.0027 3570 LYS 45 CG 0.0044 -0.0013 -0.0023 3571 LYS 45 CD 0.0050 -0.0015 -0.0020 3572 LYS 45 CE 0.0053 -0.0020 -0.0016 3573 LYS 45 NZ 0.0059 -0.0022 -0.0013 3574 GLU 46 N 0.0025 -0.0010 -0.0031 3575 GLU 46 CA 0.0017 -0.0014 -0.0032 3576 GLU 46 C 0.0016 -0.0018 -0.0030 3577 GLU 46 O 0.0016 -0.0015 -0.0032 3578 GLU 46 CB 0.0012 -0.0009 -0.0036 3579 GLU 46 CG 0.0013 -0.0002 -0.0039 3580 GLU 46 CD 0.0009 0.0003 -0.0043 3581 GLU 46 OE1 0.0006 0.0002 -0.0044 3582 GLU 46 OE2 0.0009 0.0008 -0.0045 3583 GLY 47 N 0.0013 -0.0024 -0.0028 3584 GLY 47 CA 0.0012 -0.0028 -0.0026 3585 GLY 47 C 0.0019 -0.0031 -0.0023 3586 GLY 47 O 0.0020 -0.0032 -0.0022 3587 VAL 48 N 0.0023 -0.0033 -0.0020 3588 VAL 48 CA 0.0030 -0.0034 -0.0017 3589 VAL 48 C 0.0031 -0.0041 -0.0014 3590 VAL 48 O 0.0028 -0.0043 -0.0013 3591 VAL 48 CB 0.0036 -0.0029 -0.0018 3592 VAL 48 CG1 0.0043 -0.0030 -0.0015 3593 VAL 48 CG2 0.0035 -0.0022 -0.0022 3594 VAL 49 N 0.0044 -0.0029 -0.0018 3595 VAL 49 CA 0.0044 -0.0030 -0.0015 3596 VAL 49 C 0.0042 -0.0025 -0.0007 3597 VAL 49 O 0.0040 -0.0017 -0.0007 3598 VAL 49 CB 0.0045 -0.0028 -0.0022 3599 VAL 49 CG1 0.0044 -0.0028 -0.0018 3600 VAL 49 CG2 0.0048 -0.0034 -0.0029 3601 HIS 50 N 0.0041 -0.0030 0.0000 3602 HIS 50 CA 0.0038 -0.0024 0.0008 3603 HIS 50 C 0.0038 -0.0028 0.0014 3604 HIS 50 O 0.0038 -0.0036 0.0015 3605 HIS 50 CB 0.0037 -0.0023 0.0014 3606 HIS 50 CG 0.0037 -0.0032 0.0018 3607 HIS 50 ND1 0.0036 -0.0034 0.0026 3608 HIS 50 CD2 0.0039 -0.0037 0.0015 3609 HIS 50 CE1 0.0036 -0.0042 0.0028 3610 HIS 50 NE2 0.0038 -0.0043 0.0022 3611 GLY 51 N 0.0036 -0.0022 0.0017 3612 GLY 51 CA 0.0035 -0.0025 0.0022 3613 GLY 51 C 0.0037 -0.0028 0.0017 3614 GLY 51 O 0.0038 -0.0035 0.0018 3615 VAL 52 N 0.0037 -0.0022 0.0012 3616 VAL 52 CA 0.0039 -0.0024 0.0006 3617 VAL 52 C 0.0037 -0.0019 0.0008 3618 VAL 52 O 0.0036 -0.0011 0.0008 3619 VAL 52 CB 0.0041 -0.0023 -0.0004 3620 VAL 52 CG1 0.0042 -0.0025 -0.0009 3621 VAL 52 CG2 0.0042 -0.0030 -0.0006 3622 ALA 53 N 0.0027 -0.0011 0.0004 3623 ALA 53 CA 0.0028 -0.0009 0.0008 3624 ALA 53 C 0.0028 -0.0007 0.0012 3625 ALA 53 O 0.0024 -0.0006 0.0012 3626 ALA 53 CB 0.0025 -0.0008 0.0008 3627 THR 54 N 0.0031 -0.0006 0.0015 3628 THR 54 CA 0.0031 -0.0004 0.0019 3629 THR 54 C 0.0032 -0.0002 0.0023 3630 THR 54 O 0.0036 -0.0002 0.0023 3631 THR 54 CB 0.0034 -0.0005 0.0019 3632 THR 54 OG1 0.0033 -0.0006 0.0015 3633 THR 54 CG2 0.0035 -0.0003 0.0022 3634 VAL 55 N 0.0030 0.0001 0.0026 3635 VAL 55 CA 0.0031 0.0003 0.0030 3636 VAL 55 C 0.0031 0.0004 0.0034 3637 VAL 55 O 0.0027 0.0005 0.0034 3638 VAL 55 CB 0.0027 0.0004 0.0031 3639 VAL 55 CG1 0.0028 0.0006 0.0036 3640 VAL 55 CG2 0.0027 0.0002 0.0028 3641 ALA 56 N 0.0034 0.0005 0.0037 3642 ALA 56 CA 0.0035 0.0007 0.0040 3643 ALA 56 C 0.0036 0.0009 0.0044 3644 ALA 56 O 0.0040 0.0008 0.0045 3645 ALA 56 CB 0.0039 0.0006 0.0039 3646 GLU 57 N -0.0004 -0.0012 0.0070 3647 GLU 57 CA -0.0006 -0.0021 0.0060 3648 GLU 57 C -0.0010 -0.0026 0.0055 3649 GLU 57 O -0.0001 -0.0027 0.0053 3650 GLU 57 CB 0.0007 -0.0025 0.0054 3651 GLU 57 CG 0.0010 -0.0022 0.0058 3652 GLU 57 CD 0.0023 -0.0026 0.0052 3653 GLU 57 OE1 0.0029 -0.0030 0.0046 3654 GLU 57 OE2 0.0026 -0.0024 0.0054 3655 LYS 58 N -0.0023 -0.0029 0.0052 3656 LYS 58 CA -0.0028 -0.0033 0.0048 3657 LYS 58 C -0.0035 -0.0042 0.0038 3658 LYS 58 O -0.0046 -0.0043 0.0038 3659 LYS 58 CB -0.0038 -0.0027 0.0056 3660 LYS 58 CG -0.0032 -0.0018 0.0066 3661 LYS 58 CD -0.0042 -0.0013 0.0074 3662 LYS 58 CE -0.0035 -0.0004 0.0083 3663 LYS 58 NZ -0.0045 0.0002 0.0090 3664 THR 59 N -0.0028 -0.0049 0.0030 3665 THR 59 CA -0.0034 -0.0058 0.0020 3666 THR 59 C -0.0047 -0.0060 0.0019 3667 THR 59 O -0.0056 -0.0065 0.0014 3668 THR 59 CB -0.0023 -0.0064 0.0012 3669 THR 59 OG1 -0.0011 -0.0062 0.0013 3670 THR 59 CG2 -0.0027 -0.0074 0.0001 3671 LYS 60 N -0.0048 -0.0057 0.0023 3672 LYS 60 CA -0.0061 -0.0058 0.0023 3673 LYS 60 C -0.0063 -0.0050 0.0032 3674 LYS 60 O -0.0055 -0.0048 0.0033 3675 LYS 60 CB -0.0061 -0.0067 0.0013 3676 LYS 60 CG -0.0074 -0.0070 0.0011 3677 LYS 60 CD -0.0074 -0.0078 0.0001 3678 LYS 60 CE -0.0088 -0.0081 -0.0001 3679 LYS 60 NZ -0.0088 -0.0090 -0.0011 3680 GLU 61 N -0.0064 -0.0012 0.0026 3681 GLU 61 CA -0.0061 -0.0017 0.0025 3682 GLU 61 C -0.0061 -0.0012 0.0016 3683 GLU 61 O -0.0065 -0.0005 0.0016 3684 GLU 61 CB -0.0064 -0.0017 0.0033 3685 GLU 61 CG -0.0061 -0.0022 0.0031 3686 GLU 61 CD -0.0064 -0.0022 0.0039 3687 GLU 61 OE1 -0.0068 -0.0019 0.0046 3688 GLU 61 OE2 -0.0061 -0.0026 0.0039 3689 GLN 62 N -0.0056 -0.0016 0.0010 3690 GLN 62 CA -0.0055 -0.0012 0.0001 3691 GLN 62 C -0.0051 -0.0018 -0.0001 3692 GLN 62 O -0.0046 -0.0025 -0.0002 3693 GLN 62 CB -0.0053 -0.0011 -0.0006 3694 GLN 62 CG -0.0052 -0.0007 -0.0015 3695 GLN 62 CD -0.0050 -0.0006 -0.0021 3696 GLN 62 OE1 -0.0049 -0.0008 -0.0019 3697 GLN 62 NE2 -0.0049 -0.0002 -0.0029 3698 VAL 63 N -0.0052 -0.0014 -0.0002 3699 VAL 63 CA -0.0049 -0.0018 -0.0005 3700 VAL 63 C -0.0049 -0.0013 -0.0013 3701 VAL 63 O -0.0052 -0.0007 -0.0013 3702 VAL 63 CB -0.0050 -0.0020 0.0002 3703 VAL 63 CG1 -0.0047 -0.0024 -0.0001 3704 VAL 63 CG2 -0.0051 -0.0025 0.0011 3705 THR 64 N -0.0044 -0.0015 -0.0021 3706 THR 64 CA -0.0044 -0.0010 -0.0029 3707 THR 64 C -0.0039 -0.0016 -0.0034 3708 THR 64 O -0.0034 -0.0021 -0.0038 3709 THR 64 CB -0.0044 -0.0006 -0.0035 3710 THR 64 OG1 -0.0039 -0.0012 -0.0038 3711 THR 64 CG2 -0.0049 -0.0002 -0.0030 3712 ASN 65 N 0.0021 0.0006 -0.0009 3713 ASN 65 CA 0.0026 0.0003 -0.0009 3714 ASN 65 C 0.0026 0.0005 -0.0012 3715 ASN 65 O 0.0021 0.0008 -0.0013 3716 ASN 65 CB 0.0027 -0.0001 -0.0003 3717 ASN 65 CG 0.0024 -0.0001 0.0001 3718 ASN 65 OD1 0.0021 0.0001 -0.0000 3719 ASN 65 ND2 0.0023 -0.0004 0.0007 3720 VAL 66 N 0.0031 0.0004 -0.0014 3721 VAL 66 CA 0.0032 0.0005 -0.0015 3722 VAL 66 C 0.0035 0.0001 -0.0012 3723 VAL 66 O 0.0040 -0.0001 -0.0010 3724 VAL 66 CB 0.0034 0.0008 -0.0022 3725 VAL 66 CG1 0.0031 0.0011 -0.0026 3726 VAL 66 CG2 0.0041 0.0006 -0.0024 3727 GLY 67 N 0.0033 0.0001 -0.0010 3728 GLY 67 CA 0.0037 -0.0002 -0.0007 3729 GLY 67 C 0.0037 -0.0005 -0.0001 3730 GLY 67 O 0.0040 -0.0008 0.0002 3731 GLY 68 N 0.0035 -0.0006 0.0001 3732 GLY 68 CA 0.0036 -0.0009 0.0006 3733 GLY 68 C 0.0030 -0.0009 0.0010 3734 GLY 68 O 0.0025 -0.0006 0.0008 3735 ALA 69 N 0.0030 0.0008 0.0020 3736 ALA 69 CA 0.0026 0.0003 0.0017 3737 ALA 69 C 0.0024 0.0006 0.0011 3738 ALA 69 O 0.0026 0.0010 0.0012 3739 ALA 69 CB 0.0026 -0.0003 0.0022 3740 VAL 70 N 0.0020 0.0006 0.0004 3741 VAL 70 CA 0.0018 0.0010 -0.0002 3742 VAL 70 C 0.0014 0.0004 -0.0006 3743 VAL 70 O 0.0011 -0.0001 -0.0007 3744 VAL 70 CB 0.0017 0.0015 -0.0007 3745 VAL 70 CG1 0.0015 0.0018 -0.0013 3746 VAL 70 CG2 0.0021 0.0021 -0.0003 3747 VAL 71 N 0.0013 0.0006 -0.0008 3748 VAL 71 CA 0.0009 0.0001 -0.0012 3749 VAL 71 C 0.0007 0.0006 -0.0019 3750 VAL 71 O 0.0009 0.0012 -0.0020 3751 VAL 71 CB 0.0010 -0.0001 -0.0009 3752 VAL 71 CG1 0.0006 -0.0005 -0.0014 3753 VAL 71 CG2 0.0012 -0.0006 -0.0002 3754 THR 72 N 0.0003 0.0003 -0.0025 3755 THR 72 CA 0.0001 0.0007 -0.0032 3756 THR 72 C -0.0003 0.0003 -0.0036 3757 THR 72 O -0.0006 -0.0003 -0.0038 3758 THR 72 CB -0.0000 0.0009 -0.0035 3759 THR 72 OG1 -0.0003 0.0003 -0.0036 3760 THR 72 CG2 0.0004 0.0014 -0.0031 3761 GLY 73 N 0.0013 -0.0031 -0.0070 3762 GLY 73 CA 0.0015 -0.0031 -0.0072 3763 GLY 73 C 0.0014 -0.0031 -0.0071 3764 GLY 73 O 0.0014 -0.0033 -0.0072 3765 VAL 74 N 0.0014 -0.0029 -0.0069 3766 VAL 74 CA 0.0014 -0.0028 -0.0069 3767 VAL 74 C 0.0016 -0.0027 -0.0070 3768 VAL 74 O 0.0018 -0.0025 -0.0071 3769 VAL 74 CB 0.0012 -0.0027 -0.0065 3770 VAL 74 CG1 0.0010 -0.0028 -0.0064 3771 VAL 74 CG2 0.0013 -0.0024 -0.0064 3772 THR 75 N 0.0017 -0.0027 -0.0071 3773 THR 75 CA 0.0019 -0.0026 -0.0073 3774 THR 75 C 0.0019 -0.0025 -0.0072 3775 THR 75 O 0.0017 -0.0027 -0.0071 3776 THR 75 CB 0.0020 -0.0028 -0.0076 3777 THR 75 OG1 0.0020 -0.0029 -0.0077 3778 THR 75 CG2 0.0023 -0.0027 -0.0078 3779 ALA 76 N 0.0021 -0.0023 -0.0072 3780 ALA 76 CA 0.0021 -0.0022 -0.0072 3781 ALA 76 C 0.0019 -0.0022 -0.0069 3782 ALA 76 O 0.0018 -0.0023 -0.0069 3783 ALA 76 CB 0.0022 -0.0024 -0.0074 3784 VAL 77 N 0.0011 -0.0031 -0.0059 3785 VAL 77 CA 0.0008 -0.0036 -0.0045 3786 VAL 77 C 0.0010 -0.0029 -0.0039 3787 VAL 77 O 0.0015 -0.0017 -0.0039 3788 VAL 77 CB 0.0007 -0.0035 -0.0036 3789 VAL 77 CG1 0.0003 -0.0040 -0.0021 3790 VAL 77 CG2 0.0005 -0.0042 -0.0042 3791 ALA 78 N 0.0007 -0.0036 -0.0034 3792 ALA 78 CA 0.0009 -0.0029 -0.0029 3793 ALA 78 C 0.0004 -0.0036 -0.0017 3794 ALA 78 O 0.0000 -0.0046 -0.0020 3795 ALA 78 CB 0.0011 -0.0028 -0.0041 3796 GLN 79 N 0.0005 -0.0031 -0.0004 3797 GLN 79 CA 0.0001 -0.0037 0.0008 3798 GLN 79 C 0.0004 -0.0028 0.0014 3799 GLN 79 O 0.0009 -0.0017 0.0011 3800 GLN 79 CB -0.0001 -0.0039 0.0019 3801 GLN 79 CG 0.0003 -0.0027 0.0026 3802 GLN 79 CD -0.0000 -0.0030 0.0038 3803 GLN 79 OE1 -0.0005 -0.0041 0.0040 3804 GLN 79 NE2 0.0003 -0.0020 0.0044 3805 LYS 80 N 0.0000 -0.0034 0.0022 3806 LYS 80 CA 0.0002 -0.0027 0.0031 3807 LYS 80 C -0.0002 -0.0032 0.0046 3808 LYS 80 O -0.0007 -0.0043 0.0047 3809 LYS 80 CB 0.0002 -0.0029 0.0026 3810 LYS 80 CG 0.0005 -0.0019 0.0033 3811 LYS 80 CD 0.0005 -0.0021 0.0029 3812 LYS 80 CE 0.0008 -0.0011 0.0038 3813 LYS 80 NZ 0.0007 -0.0013 0.0035 3814 THR 81 N -0.0033 -0.0044 0.0067 3815 THR 81 CA -0.0035 -0.0040 0.0053 3816 THR 81 C -0.0037 -0.0041 0.0045 3817 THR 81 O -0.0042 -0.0052 0.0045 3818 THR 81 CB -0.0039 -0.0047 0.0047 3819 THR 81 OG1 -0.0036 -0.0045 0.0055 3820 THR 81 CG2 -0.0041 -0.0041 0.0033 3821 VAL 82 N -0.0035 -0.0031 0.0039 3822 VAL 82 CA -0.0038 -0.0031 0.0030 3823 VAL 82 C -0.0041 -0.0029 0.0016 3824 VAL 82 O -0.0038 -0.0019 0.0013 3825 VAL 82 CB -0.0033 -0.0021 0.0032 3826 VAL 82 CG1 -0.0036 -0.0021 0.0021 3827 VAL 82 CG2 -0.0031 -0.0024 0.0045 3828 GLU 83 N -0.0046 -0.0038 0.0008 3829 GLU 83 CA -0.0050 -0.0038 -0.0006 3830 GLU 83 C -0.0050 -0.0036 -0.0007 3831 GLU 83 O -0.0048 -0.0027 -0.0013 3832 GLU 83 CB -0.0048 -0.0028 -0.0015 3833 GLU 83 CG -0.0050 -0.0030 -0.0016 3834 GLU 83 CD -0.0048 -0.0020 -0.0025 3835 GLU 83 OE1 -0.0046 -0.0011 -0.0030 3836 GLU 83 OE2 -0.0050 -0.0022 -0.0027 3837 GLY 84 N -0.0052 -0.0046 -0.0001 3838 GLY 84 CA -0.0052 -0.0046 -0.0002 3839 GLY 84 C -0.0055 -0.0058 0.0006 3840 GLY 84 O -0.0056 -0.0066 0.0012 3841 ALA 85 N -0.0031 -0.0044 0.0090 3842 ALA 85 CA -0.0033 -0.0042 0.0092 3843 ALA 85 C -0.0031 -0.0045 0.0091 3844 ALA 85 O -0.0029 -0.0049 0.0093 3845 ALA 85 CB -0.0035 -0.0040 0.0098 3846 GLY 86 N -0.0032 -0.0042 0.0089 3847 GLY 86 CA -0.0031 -0.0045 0.0088 3848 GLY 86 C -0.0032 -0.0042 0.0090 3849 GLY 86 O -0.0034 -0.0039 0.0088 3850 SER 87 N -0.0032 -0.0044 0.0094 3851 SER 87 CA -0.0033 -0.0043 0.0097 3852 SER 87 C -0.0031 -0.0046 0.0095 3853 SER 87 O -0.0029 -0.0050 0.0098 3854 SER 87 CB -0.0034 -0.0042 0.0102 3855 SER 87 OG -0.0037 -0.0039 0.0104 3856 ILE 88 N -0.0031 -0.0044 0.0091 3857 ILE 88 CA -0.0029 -0.0047 0.0089 3858 ILE 88 C -0.0029 -0.0048 0.0093 3859 ILE 88 O -0.0027 -0.0052 0.0095 3860 ILE 88 CB -0.0030 -0.0045 0.0084 3861 ILE 88 CG1 -0.0029 -0.0046 0.0080 3862 ILE 88 CG2 -0.0028 -0.0048 0.0082 3863 ILE 88 CD1 -0.0029 -0.0043 0.0075 3864 ALA 89 N -0.0026 -0.0004 0.0084 3865 ALA 89 CA -0.0024 0.0004 0.0081 3866 ALA 89 C -0.0017 -0.0000 0.0071 3867 ALA 89 O -0.0016 -0.0007 0.0070 3868 ALA 89 CB -0.0030 0.0003 0.0089 3869 ALA 90 N -0.0011 0.0005 0.0063 3870 ALA 90 CA -0.0004 0.0001 0.0052 3871 ALA 90 C -0.0000 0.0012 0.0047 3872 ALA 90 O -0.0003 0.0023 0.0049 3873 ALA 90 CB 0.0001 -0.0002 0.0046 3874 ALA 91 N 0.0005 0.0009 0.0039 3875 ALA 91 CA 0.0009 0.0019 0.0034 3876 ALA 91 C 0.0016 0.0014 0.0023 3877 ALA 91 O 0.0017 0.0004 0.0022 3878 ALA 91 CB 0.0004 0.0022 0.0040 3879 THR 92 N 0.0022 0.0021 0.0015 3880 THR 92 CA 0.0029 0.0017 0.0005 3881 THR 92 C 0.0033 0.0028 -0.0001 3882 THR 92 O 0.0030 0.0039 0.0001 3883 THR 92 CB 0.0034 0.0014 -0.0001 3884 THR 92 OG1 0.0034 0.0026 -0.0002 3885 THR 92 CG2 0.0030 0.0005 0.0005 3886 GLY 93 N 0.0059 -0.0013 0.0000 3887 GLY 93 CA 0.0068 -0.0007 0.0017 3888 GLY 93 C 0.0082 -0.0007 0.0009 3889 GLY 93 O 0.0098 -0.0002 0.0018 3890 PHE 94 N 0.0076 -0.0012 -0.0008 3891 PHE 94 CA 0.0087 -0.0013 -0.0017 3892 PHE 94 C 0.0086 -0.0019 -0.0041 3893 PHE 94 O 0.0069 -0.0024 -0.0049 3894 PHE 94 CB 0.0078 -0.0013 -0.0010 3895 PHE 94 CG 0.0081 -0.0006 0.0013 3896 PHE 94 CD1 0.0099 -0.0002 0.0018 3897 PHE 94 CD2 0.0067 -0.0004 0.0028 3898 PHE 94 CE1 0.0103 0.0004 0.0038 3899 PHE 94 CE2 0.0070 0.0001 0.0048 3900 PHE 94 CZ 0.0088 0.0005 0.0054 3901 VAL 95 N 0.0104 -0.0019 -0.0051 3902 VAL 95 CA 0.0105 -0.0025 -0.0074 3903 VAL 95 C 0.0117 -0.0024 -0.0079 3904 VAL 95 O 0.0136 -0.0020 -0.0073 3905 VAL 95 CB 0.0114 -0.0026 -0.0085 3906 VAL 95 CG1 0.0117 -0.0032 -0.0108 3907 VAL 95 CG2 0.0101 -0.0028 -0.0082 3908 LYS 96 N 0.0108 -0.0028 -0.0089 3909 LYS 96 CA 0.0118 -0.0028 -0.0095 3910 LYS 96 C 0.0119 -0.0034 -0.0118 3911 LYS 96 O 0.0110 -0.0039 -0.0130 3912 LYS 96 CB 0.0107 -0.0027 -0.0084 3913 LYS 96 CG 0.0108 -0.0021 -0.0060 3914 LYS 96 CD 0.0130 -0.0016 -0.0054 3915 LYS 96 CE 0.0131 -0.0010 -0.0030 3916 LYS 96 NZ 0.0118 -0.0009 -0.0020 3917 LYS 97 N -0.0048 0.0005 -0.0088 3918 LYS 97 CA -0.0007 -0.0091 -0.0107 3919 LYS 97 C 0.0096 -0.0082 -0.0041 3920 LYS 97 O 0.0152 -0.0037 0.0014 3921 LYS 97 CB 0.0002 -0.0193 -0.0149 3922 LYS 97 CG 0.0036 -0.0299 -0.0177 3923 LYS 97 CD -0.0044 -0.0316 -0.0234 3924 LYS 97 CE -0.0008 -0.0421 -0.0260 3925 LYS 97 NZ 0.0005 -0.0516 -0.0296 3926 ASP 98 N 0.0119 -0.0124 -0.0046 3927 ASP 98 CA 0.0218 -0.0131 0.0011 3928 ASP 98 C 0.0248 -0.0242 -0.0021 3929 ASP 98 O 0.0194 -0.0308 -0.0085 3930 ASP 98 CB 0.0214 -0.0037 0.0052 3931 ASP 98 CG 0.0318 -0.0017 0.0125 3932 ASP 98 OD1 0.0395 -0.0078 0.0143 3933 ASP 98 OD2 0.0324 0.0060 0.0164 3934 GLN 99 N 0.0336 -0.0263 0.0022 3935 GLN 99 CA 0.0373 -0.0365 -0.0002 3936 GLN 99 C 0.0306 -0.0378 -0.0049 3937 GLN 99 O 0.0275 -0.0462 -0.0106 3938 GLN 99 CB 0.0482 -0.0373 0.0061 3939 GLN 99 CG 0.0529 -0.0479 0.0040 3940 GLN 99 CD 0.0637 -0.0484 0.0104 3941 GLN 99 OE1 0.0676 -0.0407 0.0164 3942 GLN 99 NE2 0.0684 -0.0575 0.0091 3943 VAL 37 N -0.0078 -0.0134 0.0016 3944 VAL 37 CA -0.0092 -0.0116 0.0014 3945 VAL 37 C -0.0076 -0.0101 0.0021 3946 VAL 37 O -0.0082 -0.0089 0.0021 3947 VAL 37 CB -0.0112 -0.0128 0.0005 3948 VAL 37 CG1 -0.0131 -0.0135 -0.0002 3949 VAL 37 CG2 -0.0102 -0.0151 0.0006 3950 LEU 38 N -0.0053 -0.0100 0.0029 3951 LEU 38 CA -0.0035 -0.0087 0.0037 3952 LEU 38 C -0.0040 -0.0059 0.0039 3953 LEU 38 O -0.0039 -0.0046 0.0041 3954 LEU 38 CB -0.0011 -0.0094 0.0044 3955 LEU 38 CG 0.0004 -0.0117 0.0046 3956 LEU 38 CD1 0.0013 -0.0112 0.0049 3957 LEU 38 CD2 -0.0009 -0.0141 0.0038 3958 TYR 39 N -0.0045 -0.0050 0.0039 3959 TYR 39 CA -0.0051 -0.0024 0.0040 3960 TYR 39 C -0.0031 -0.0007 0.0049 3961 TYR 39 O -0.0035 0.0009 0.0050 3962 TYR 39 CB -0.0075 -0.0016 0.0033 3963 TYR 39 CG -0.0096 -0.0027 0.0025 3964 TYR 39 CD1 -0.0105 -0.0018 0.0023 3965 TYR 39 CD2 -0.0107 -0.0047 0.0018 3966 TYR 39 CE1 -0.0124 -0.0028 0.0015 3967 TYR 39 CE2 -0.0126 -0.0057 0.0010 3968 TYR 39 CZ -0.0135 -0.0048 0.0009 3969 TYR 39 OH -0.0154 -0.0058 0.0001 3970 VAL 40 N -0.0011 -0.0010 0.0055 3971 VAL 40 CA 0.0009 0.0006 0.0064 3972 VAL 40 C 0.0005 0.0031 0.0066 3973 VAL 40 O 0.0009 0.0050 0.0070 3974 VAL 40 CB 0.0033 -0.0007 0.0070 3975 VAL 40 CG1 0.0053 0.0009 0.0080 3976 VAL 40 CG2 0.0036 -0.0032 0.0068 3977 GLY 41 N 0.0005 0.0033 0.0067 3978 GLY 41 CA 0.0003 0.0030 0.0058 3979 GLY 41 C 0.0003 0.0029 0.0044 3980 GLY 41 O -0.0001 0.0020 0.0038 3981 SER 42 N 0.0008 0.0036 0.0040 3982 SER 42 CA 0.0007 0.0035 0.0028 3983 SER 42 C 0.0007 0.0033 0.0016 3984 SER 42 O 0.0003 0.0026 0.0007 3985 SER 42 CB 0.0013 0.0045 0.0026 3986 SER 42 OG 0.0013 0.0043 0.0015 3987 LYS 43 N 0.0011 0.0040 0.0015 3988 LYS 43 CA 0.0010 0.0038 0.0006 3989 LYS 43 C 0.0014 0.0044 0.0011 3990 LYS 43 O 0.0020 0.0055 0.0012 3991 LYS 43 CB 0.0013 0.0042 -0.0008 3992 LYS 43 CG 0.0012 0.0039 -0.0018 3993 LYS 43 CD 0.0014 0.0042 -0.0032 3994 LYS 43 CE 0.0012 0.0038 -0.0042 3995 LYS 43 NZ 0.0015 0.0043 -0.0040 3996 THR 44 N 0.0010 0.0038 0.0013 3997 THR 44 CA 0.0013 0.0043 0.0016 3998 THR 44 C 0.0010 0.0038 0.0006 3999 THR 44 O 0.0005 0.0029 0.0001 4000 THR 44 CB 0.0010 0.0040 0.0030 4001 THR 44 OG1 0.0003 0.0028 0.0031 4002 THR 44 CG2 0.0012 0.0044 0.0040 4003 LYS 45 N 0.0035 0.0012 0.0006 4004 LYS 45 CA 0.0034 0.0008 0.0002 4005 LYS 45 C 0.0034 0.0006 0.0000 4006 LYS 45 O 0.0037 0.0005 -0.0001 4007 LYS 45 CB 0.0040 0.0007 0.0001 4008 LYS 45 CG 0.0039 0.0003 -0.0003 4009 LYS 45 CD 0.0044 0.0002 -0.0003 4010 LYS 45 CE 0.0043 -0.0002 -0.0007 4011 LYS 45 NZ 0.0048 -0.0003 -0.0008 4012 GLU 46 N 0.0029 0.0004 -0.0001 4013 GLU 46 CA 0.0027 0.0003 -0.0002 4014 GLU 46 C 0.0023 -0.0000 -0.0005 4015 GLU 46 O 0.0019 0.0000 -0.0005 4016 GLU 46 CB 0.0025 0.0007 0.0001 4017 GLU 46 CG 0.0021 0.0009 0.0003 4018 GLU 46 CD 0.0020 0.0013 0.0007 4019 GLU 46 OE1 0.0023 0.0014 0.0007 4020 GLU 46 OE2 0.0016 0.0015 0.0009 4021 GLY 47 N 0.0024 -0.0004 -0.0008 4022 GLY 47 CA 0.0021 -0.0007 -0.0011 4023 GLY 47 C 0.0022 -0.0010 -0.0013 4024 GLY 47 O 0.0018 -0.0011 -0.0015 4025 VAL 48 N 0.0027 -0.0010 -0.0014 4026 VAL 48 CA 0.0029 -0.0012 -0.0015 4027 VAL 48 C 0.0032 -0.0015 -0.0019 4028 VAL 48 O 0.0036 -0.0016 -0.0019 4029 VAL 48 CB 0.0032 -0.0008 -0.0012 4030 VAL 48 CG1 0.0033 -0.0010 -0.0014 4031 VAL 48 CG2 0.0028 -0.0005 -0.0009 4032 VAL 49 N 0.0030 -0.0016 -0.0027 4033 VAL 49 CA 0.0031 -0.0017 -0.0027 4034 VAL 49 C 0.0025 -0.0011 -0.0018 4035 VAL 49 O 0.0019 -0.0002 -0.0018 4036 VAL 49 CB 0.0032 -0.0013 -0.0039 4037 VAL 49 CG1 0.0032 -0.0012 -0.0039 4038 VAL 49 CG2 0.0039 -0.0020 -0.0048 4039 HIS 50 N 0.0025 -0.0016 -0.0010 4040 HIS 50 CA 0.0019 -0.0010 -0.0002 4041 HIS 50 C 0.0020 -0.0013 0.0002 4042 HIS 50 O 0.0025 -0.0023 0.0004 4043 HIS 50 CB 0.0016 -0.0009 0.0008 4044 HIS 50 CG 0.0019 -0.0020 0.0016 4045 HIS 50 ND1 0.0019 -0.0023 0.0026 4046 HIS 50 CD2 0.0024 -0.0027 0.0016 4047 HIS 50 CE1 0.0022 -0.0032 0.0031 4048 HIS 50 NE2 0.0025 -0.0034 0.0026 4049 GLY 51 N 0.0016 -0.0006 0.0002 4050 GLY 51 CA 0.0016 -0.0008 0.0006 4051 GLY 51 C 0.0021 -0.0011 -0.0004 4052 GLY 51 O 0.0026 -0.0020 -0.0003 4053 VAL 52 N 0.0019 -0.0004 -0.0013 4054 VAL 52 CA 0.0023 -0.0006 -0.0023 4055 VAL 52 C 0.0019 0.0002 -0.0025 4056 VAL 52 O 0.0014 0.0011 -0.0025 4057 VAL 52 CB 0.0026 -0.0005 -0.0034 4058 VAL 52 CG1 0.0030 -0.0006 -0.0045 4059 VAL 52 CG2 0.0031 -0.0013 -0.0033 4060 ALA 53 N -0.0003 0.0014 -0.0031 4061 ALA 53 CA -0.0003 0.0015 -0.0029 4062 ALA 53 C -0.0004 0.0013 -0.0030 4063 ALA 53 O -0.0005 0.0011 -0.0031 4064 ALA 53 CB -0.0004 0.0014 -0.0025 4065 THR 54 N -0.0003 0.0015 -0.0030 4066 THR 54 CA -0.0003 0.0014 -0.0031 4067 THR 54 C -0.0003 0.0016 -0.0029 4068 THR 54 O -0.0001 0.0019 -0.0029 4069 THR 54 CB -0.0002 0.0015 -0.0035 4070 THR 54 OG1 -0.0003 0.0014 -0.0037 4071 THR 54 CG2 -0.0003 0.0014 -0.0036 4072 VAL 55 N -0.0003 0.0014 -0.0028 4073 VAL 55 CA -0.0003 0.0015 -0.0026 4074 VAL 55 C -0.0003 0.0014 -0.0028 4075 VAL 55 O -0.0004 0.0011 -0.0029 4076 VAL 55 CB -0.0004 0.0015 -0.0023 4077 VAL 55 CG1 -0.0003 0.0016 -0.0021 4078 VAL 55 CG2 -0.0003 0.0016 -0.0021 4079 ALA 56 N -0.0002 0.0016 -0.0029 4080 ALA 56 CA -0.0003 0.0015 -0.0031 4081 ALA 56 C -0.0002 0.0017 -0.0029 4082 ALA 56 O -0.0001 0.0020 -0.0029 4083 ALA 56 CB -0.0002 0.0016 -0.0034 4084 GLU 57 N -0.0059 0.0005 -0.0010 4085 GLU 57 CA -0.0058 -0.0000 -0.0007 4086 GLU 57 C -0.0064 -0.0003 -0.0005 4087 GLU 57 O -0.0067 -0.0004 -0.0005 4088 GLU 57 CB -0.0054 -0.0003 -0.0006 4089 GLU 57 CG -0.0047 -0.0000 -0.0007 4090 GLU 57 CD -0.0043 -0.0003 -0.0005 4091 GLU 57 OE1 -0.0046 -0.0006 -0.0004 4092 GLU 57 OE2 -0.0038 -0.0002 -0.0006 4093 LYS 58 N -0.0066 -0.0005 -0.0005 4094 LYS 58 CA -0.0071 -0.0008 -0.0003 4095 LYS 58 C -0.0071 -0.0013 -0.0001 4096 LYS 58 O -0.0069 -0.0013 -0.0001 4097 LYS 58 CB -0.0075 -0.0004 -0.0005 4098 LYS 58 CG -0.0077 0.0001 -0.0008 4099 LYS 58 CD -0.0081 0.0005 -0.0010 4100 LYS 58 CE -0.0083 0.0010 -0.0012 4101 LYS 58 NZ -0.0087 0.0013 -0.0014 4102 THR 59 N -0.0072 -0.0017 0.0001 4103 THR 59 CA -0.0071 -0.0023 0.0004 4104 THR 59 C -0.0075 -0.0024 0.0004 4105 THR 59 O -0.0074 -0.0027 0.0006 4106 THR 59 CB -0.0071 -0.0027 0.0006 4107 THR 59 OG1 -0.0066 -0.0026 0.0005 4108 THR 59 CG2 -0.0069 -0.0033 0.0009 4109 LYS 60 N -0.0081 -0.0022 0.0003 4110 LYS 60 CA -0.0086 -0.0023 0.0004 4111 LYS 60 C -0.0090 -0.0018 0.0001 4112 LYS 60 O -0.0093 -0.0018 0.0001 4113 LYS 60 CB -0.0089 -0.0028 0.0006 4114 LYS 60 CG -0.0093 -0.0030 0.0007 4115 LYS 60 CD -0.0095 -0.0035 0.0010 4116 LYS 60 CE -0.0100 -0.0037 0.0010 4117 LYS 60 NZ -0.0102 -0.0042 0.0013 4118 GLU 61 N -0.0086 0.0019 -0.0020 4119 GLU 61 CA -0.0085 0.0016 -0.0028 4120 GLU 61 C -0.0076 0.0017 -0.0027 4121 GLU 61 O -0.0067 0.0017 -0.0027 4122 GLU 61 CB -0.0084 0.0011 -0.0038 4123 GLU 61 CG -0.0084 0.0007 -0.0046 4124 GLU 61 CD -0.0083 0.0003 -0.0056 4125 GLU 61 OE1 -0.0083 0.0003 -0.0056 4126 GLU 61 OE2 -0.0082 -0.0000 -0.0063 4127 GLN 62 N -0.0078 0.0017 -0.0025 4128 GLN 62 CA -0.0070 0.0018 -0.0023 4129 GLN 62 C -0.0071 0.0015 -0.0030 4130 GLN 62 O -0.0079 0.0015 -0.0031 4131 GLN 62 CB -0.0072 0.0023 -0.0013 4132 GLN 62 CG -0.0064 0.0025 -0.0009 4133 GLN 62 CD -0.0065 0.0029 0.0001 4134 GLN 62 OE1 -0.0073 0.0031 0.0006 4135 GLN 62 NE2 -0.0058 0.0031 0.0004 4136 VAL 63 N -0.0062 0.0013 -0.0036 4137 VAL 63 CA -0.0062 0.0010 -0.0043 4138 VAL 63 C -0.0052 0.0011 -0.0040 4139 VAL 63 O -0.0043 0.0010 -0.0043 4140 VAL 63 CB -0.0061 0.0005 -0.0053 4141 VAL 63 CG1 -0.0060 0.0002 -0.0060 4142 VAL 63 CG2 -0.0071 0.0004 -0.0055 4143 THR 64 N -0.0053 0.0013 -0.0035 4144 THR 64 CA -0.0044 0.0015 -0.0032 4145 THR 64 C -0.0046 0.0013 -0.0036 4146 THR 64 O -0.0053 0.0015 -0.0032 4147 THR 64 CB -0.0043 0.0020 -0.0021 4148 THR 64 OG1 -0.0052 0.0021 -0.0017 4149 THR 64 CG2 -0.0043 0.0022 -0.0017 4150 ASN 65 N 0.0012 0.0034 -0.0029 4151 ASN 65 CA 0.0019 0.0036 -0.0021 4152 ASN 65 C 0.0018 0.0033 -0.0016 4153 ASN 65 O 0.0012 0.0028 -0.0018 4154 ASN 65 CB 0.0020 0.0034 -0.0014 4155 ASN 65 CG 0.0015 0.0026 -0.0008 4156 ASN 65 OD1 0.0012 0.0022 -0.0006 4157 ASN 65 ND2 0.0015 0.0025 -0.0005 4158 VAL 66 N 0.0025 0.0037 -0.0011 4159 VAL 66 CA 0.0025 0.0033 -0.0004 4160 VAL 66 C 0.0029 0.0033 0.0006 4161 VAL 66 O 0.0035 0.0037 0.0007 4162 VAL 66 CB 0.0028 0.0037 -0.0007 4163 VAL 66 CG1 0.0024 0.0039 -0.0018 4164 VAL 66 CG2 0.0036 0.0044 -0.0004 4165 GLY 67 N 0.0026 0.0027 0.0013 4166 GLY 67 CA 0.0030 0.0025 0.0022 4167 GLY 67 C 0.0031 0.0025 0.0025 4168 GLY 67 O 0.0035 0.0024 0.0034 4169 GLY 68 N 0.0029 0.0026 0.0019 4170 GLY 68 CA 0.0030 0.0026 0.0021 4171 GLY 68 C 0.0023 0.0021 0.0017 4172 GLY 68 O 0.0017 0.0017 0.0014 4173 ALA 69 N 0.0024 0.0036 0.0032 4174 ALA 69 CA 0.0017 0.0025 0.0023 4175 ALA 69 C 0.0018 0.0036 0.0008 4176 ALA 69 O 0.0023 0.0046 0.0011 4177 ALA 69 CB 0.0017 0.0017 0.0037 4178 VAL 70 N 0.0012 0.0031 -0.0009 4179 VAL 70 CA 0.0012 0.0041 -0.0025 4180 VAL 70 C 0.0006 0.0030 -0.0034 4181 VAL 70 O -0.0001 0.0015 -0.0038 4182 VAL 70 CB 0.0012 0.0048 -0.0038 4183 VAL 70 CG1 0.0011 0.0056 -0.0055 4184 VAL 70 CG2 0.0019 0.0061 -0.0029 4185 VAL 71 N 0.0008 0.0037 -0.0039 4186 VAL 71 CA 0.0002 0.0029 -0.0049 4187 VAL 71 C 0.0002 0.0039 -0.0068 4188 VAL 71 O 0.0007 0.0054 -0.0069 4189 VAL 71 CB 0.0004 0.0028 -0.0040 4190 VAL 71 CG1 -0.0002 0.0021 -0.0052 4191 VAL 71 CG2 0.0004 0.0017 -0.0022 4192 THR 72 N -0.0005 0.0030 -0.0082 4193 THR 72 CA -0.0006 0.0038 -0.0100 4194 THR 72 C -0.0012 0.0030 -0.0112 4195 THR 72 O -0.0019 0.0014 -0.0115 4196 THR 72 CB -0.0009 0.0037 -0.0110 4197 THR 72 OG1 -0.0016 0.0020 -0.0111 4198 THR 72 CG2 -0.0003 0.0046 -0.0100 4199 GLY 73 N 0.0018 -0.0002 -0.0139 4200 GLY 73 CA 0.0019 -0.0002 -0.0139 4201 GLY 73 C 0.0015 -0.0002 -0.0134 4202 GLY 73 O 0.0011 -0.0003 -0.0136 4203 VAL 74 N 0.0016 0.0001 -0.0128 4204 VAL 74 CA 0.0013 0.0001 -0.0123 4205 VAL 74 C 0.0018 0.0003 -0.0123 4206 VAL 74 O 0.0024 0.0004 -0.0124 4207 VAL 74 CB 0.0011 0.0003 -0.0117 4208 VAL 74 CG1 0.0008 0.0001 -0.0118 4209 VAL 74 CG2 0.0017 0.0006 -0.0113 4210 THR 75 N 0.0015 0.0003 -0.0121 4211 THR 75 CA 0.0019 0.0004 -0.0121 4212 THR 75 C 0.0016 0.0005 -0.0116 4213 THR 75 O 0.0010 0.0003 -0.0115 4214 THR 75 CB 0.0019 0.0002 -0.0128 4215 THR 75 OG1 0.0022 0.0001 -0.0133 4216 THR 75 CG2 0.0024 0.0003 -0.0128 4217 ALA 76 N 0.0021 0.0007 -0.0112 4218 ALA 76 CA 0.0019 0.0008 -0.0107 4219 ALA 76 C 0.0014 0.0009 -0.0102 4220 ALA 76 O 0.0010 0.0008 -0.0100 4221 ALA 76 CB 0.0017 0.0007 -0.0110 4222 VAL 77 N 0.0023 0.0007 -0.0086 4223 VAL 77 CA 0.0017 0.0001 -0.0070 4224 VAL 77 C 0.0021 0.0010 -0.0060 4225 VAL 77 O 0.0029 0.0023 -0.0059 4226 VAL 77 CB 0.0017 0.0003 -0.0061 4227 VAL 77 CG1 0.0012 -0.0003 -0.0045 4228 VAL 77 CG2 0.0014 -0.0005 -0.0072 4229 ALA 78 N 0.0016 0.0002 -0.0052 4230 ALA 78 CA 0.0019 0.0009 -0.0044 4231 ALA 78 C 0.0013 0.0001 -0.0029 4232 ALA 78 O 0.0006 -0.0010 -0.0031 4233 ALA 78 CB 0.0021 0.0010 -0.0056 4234 GLN 79 N 0.0014 0.0007 -0.0014 4235 GLN 79 CA 0.0009 0.0000 0.0001 4236 GLN 79 C 0.0013 0.0009 0.0010 4237 GLN 79 O 0.0021 0.0022 0.0007 4238 GLN 79 CB 0.0006 -0.0002 0.0012 4239 GLN 79 CG 0.0013 0.0011 0.0019 4240 GLN 79 CD 0.0010 0.0008 0.0030 4241 GLN 79 OE1 0.0002 -0.0005 0.0032 4242 GLN 79 NE2 0.0016 0.0019 0.0037 4243 LYS 80 N 0.0008 0.0003 0.0021 4244 LYS 80 CA 0.0011 0.0011 0.0034 4245 LYS 80 C 0.0006 0.0005 0.0050 4246 LYS 80 O -0.0002 -0.0007 0.0051 4247 LYS 80 CB 0.0010 0.0009 0.0031 4248 LYS 80 CG 0.0015 0.0019 0.0042 4249 LYS 80 CD 0.0014 0.0017 0.0039 4250 LYS 80 CE 0.0019 0.0027 0.0052 4251 LYS 80 NZ 0.0018 0.0025 0.0051 4252 THR 81 N -0.0014 0.0019 0.0060 4253 THR 81 CA -0.0026 0.0027 0.0044 4254 THR 81 C -0.0035 0.0039 0.0028 4255 THR 81 O -0.0046 0.0031 0.0026 4256 THR 81 CB -0.0042 0.0011 0.0046 4257 THR 81 OG1 -0.0033 0.0001 0.0061 4258 THR 81 CG2 -0.0054 0.0020 0.0030 4259 VAL 82 N -0.0030 0.0057 0.0015 4260 VAL 82 CA -0.0040 0.0069 -0.0002 4261 VAL 82 C -0.0055 0.0071 -0.0015 4262 VAL 82 O -0.0049 0.0078 -0.0017 4263 VAL 82 CB -0.0024 0.0089 -0.0008 4264 VAL 82 CG1 -0.0035 0.0102 -0.0027 4265 VAL 82 CG2 -0.0010 0.0087 0.0004 4266 GLU 83 N -0.0075 0.0064 -0.0024 4267 GLU 83 CA -0.0092 0.0065 -0.0037 4268 GLU 83 C -0.0094 0.0054 -0.0029 4269 GLU 83 O -0.0091 0.0063 -0.0034 4270 GLU 83 CB -0.0090 0.0086 -0.0054 4271 GLU 83 CG -0.0092 0.0096 -0.0064 4272 GLU 83 CD -0.0091 0.0117 -0.0080 4273 GLU 83 OE1 -0.0087 0.0123 -0.0084 4274 GLU 83 OE2 -0.0094 0.0126 -0.0090 4275 GLY 84 N -0.0099 0.0035 -0.0017 4276 GLY 84 CA -0.0103 0.0023 -0.0009 4277 GLY 84 C -0.0108 0.0002 0.0005 4278 GLY 84 O -0.0107 -0.0002 0.0010 4279 ALA 85 N -0.0041 0.0019 0.0083 4280 ALA 85 CA -0.0041 0.0017 0.0084 4281 ALA 85 C -0.0037 0.0012 0.0083 4282 ALA 85 O -0.0037 0.0008 0.0083 4283 ALA 85 CB -0.0045 0.0016 0.0087 4284 GLY 86 N -0.0035 0.0012 0.0081 4285 GLY 86 CA -0.0031 0.0007 0.0080 4286 GLY 86 C -0.0031 0.0005 0.0080 4287 GLY 86 O -0.0030 0.0008 0.0079 4288 SER 87 N -0.0033 0.0000 0.0082 4289 SER 87 CA -0.0033 -0.0002 0.0083 4290 SER 87 C -0.0030 -0.0007 0.0081 4291 SER 87 O -0.0030 -0.0011 0.0083 4292 SER 87 CB -0.0038 -0.0004 0.0086 4293 SER 87 OG -0.0041 0.0001 0.0087 4294 ILE 88 N -0.0026 -0.0007 0.0079 4295 ILE 88 CA -0.0022 -0.0011 0.0077 4296 ILE 88 C -0.0023 -0.0016 0.0079 4297 ILE 88 O -0.0023 -0.0020 0.0080 4298 ILE 88 CB -0.0017 -0.0008 0.0074 4299 ILE 88 CG1 -0.0016 -0.0004 0.0072 4300 ILE 88 CG2 -0.0013 -0.0013 0.0072 4301 ILE 88 CD1 -0.0012 -0.0001 0.0069 4302 ALA 89 N -0.0022 0.0016 0.0069 4303 ALA 89 CA -0.0020 0.0024 0.0064 4304 ALA 89 C -0.0010 0.0027 0.0066 4305 ALA 89 O -0.0004 0.0031 0.0065 4306 ALA 89 CB -0.0024 0.0030 0.0058 4307 ALA 90 N -0.0006 0.0024 0.0069 4308 ALA 90 CA 0.0004 0.0026 0.0071 4309 ALA 90 C 0.0005 0.0032 0.0067 4310 ALA 90 O -0.0002 0.0032 0.0065 4311 ALA 90 CB 0.0007 0.0018 0.0078 4312 ALA 91 N 0.0014 0.0037 0.0067 4313 ALA 91 CA 0.0016 0.0043 0.0063 4314 ALA 91 C 0.0026 0.0045 0.0066 4315 ALA 91 O 0.0032 0.0047 0.0066 4316 ALA 91 CB 0.0013 0.0051 0.0056 4317 THR 92 N 0.0029 0.0044 0.0068 4318 THR 92 CA 0.0039 0.0045 0.0070 4319 THR 92 C 0.0041 0.0052 0.0066 4320 THR 92 O 0.0034 0.0052 0.0064 4321 THR 92 CB 0.0042 0.0037 0.0077 4322 THR 92 OG1 0.0037 0.0035 0.0077 4323 THR 92 CG2 0.0039 0.0030 0.0081 4324 GLY 93 N 0.0084 0.0005 0.0085 4325 GLY 93 CA 0.0085 0.0014 0.0071 4326 GLY 93 C 0.0087 0.0015 0.0067 4327 GLY 93 O 0.0082 0.0023 0.0059 4328 PHE 94 N 0.0095 0.0007 0.0072 4329 PHE 94 CA 0.0099 0.0007 0.0069 4330 PHE 94 C 0.0101 -0.0002 0.0081 4331 PHE 94 O 0.0107 -0.0010 0.0089 4332 PHE 94 CB 0.0113 0.0006 0.0059 4333 PHE 94 CG 0.0112 0.0015 0.0045 4334 PHE 94 CD1 0.0108 0.0022 0.0037 4335 PHE 94 CD2 0.0114 0.0016 0.0041 4336 PHE 94 CE1 0.0107 0.0030 0.0025 4337 PHE 94 CE2 0.0113 0.0024 0.0029 4338 PHE 94 CZ 0.0110 0.0031 0.0021 4339 VAL 95 N 0.0096 -0.0000 0.0084 4340 VAL 95 CA 0.0098 -0.0008 0.0094 4341 VAL 95 C 0.0102 -0.0006 0.0088 4342 VAL 95 O 0.0094 0.0001 0.0083 4343 VAL 95 CB 0.0086 -0.0009 0.0106 4344 VAL 95 CG1 0.0088 -0.0016 0.0115 4345 VAL 95 CG2 0.0083 -0.0012 0.0113 4346 LYS 96 N 0.0114 -0.0013 0.0088 4347 LYS 96 CA 0.0119 -0.0013 0.0083 4348 LYS 96 C 0.0122 -0.0021 0.0093 4349 LYS 96 O 0.0120 -0.0027 0.0104 4350 LYS 96 CB 0.0132 -0.0013 0.0071 4351 LYS 96 CG 0.0129 -0.0004 0.0060 4352 LYS 96 CD 0.0122 0.0005 0.0052 4353 LYS 96 CE 0.0120 0.0014 0.0040 4354 LYS 96 NZ 0.0132 0.0013 0.0030 4355 LYS 97 N -0.0007 -0.0018 0.0049 4356 LYS 97 CA 0.0014 -0.0075 0.0089 4357 LYS 97 C 0.0084 -0.0071 0.0043 4358 LYS 97 O 0.0089 -0.0014 -0.0012 4359 LYS 97 CB -0.0058 -0.0071 0.0130 4360 LYS 97 CG -0.0045 -0.0132 0.0177 4361 LYS 97 CD -0.0033 -0.0199 0.0232 4362 LYS 97 CE -0.0017 -0.0259 0.0277 4363 LYS 97 NZ -0.0089 -0.0250 0.0312 4364 ASP 98 N 0.0138 -0.0132 0.0066 4365 ASP 98 CA 0.0204 -0.0137 0.0031 4366 ASP 98 C 0.0210 -0.0196 0.0081 4367 ASP 98 O 0.0161 -0.0227 0.0139 4368 ASP 98 CB 0.0282 -0.0148 -0.0007 4369 ASP 98 CG 0.0346 -0.0131 -0.0061 4370 ASP 98 OD1 0.0330 -0.0113 -0.0068 4371 ASP 98 OD2 0.0411 -0.0136 -0.0096 4372 GLN 99 N 0.0268 -0.0211 0.0060 4373 GLN 99 CA 0.0283 -0.0267 0.0103 4374 GLN 99 C 0.0311 -0.0338 0.0151 4375 GLN 99 O 0.0278 -0.0381 0.0210 4376 GLN 99 CB 0.0345 -0.0265 0.0062 4377 GLN 99 CG 0.0361 -0.0319 0.0103 4378 GLN 99 CD 0.0422 -0.0314 0.0061 4379 GLN 99 OE1 0.0456 -0.0272 0.0001 4380 GLN 99 NE2 0.0437 -0.0359 0.0093 4381 VAL 37 N 0.0002 -0.0058 0.0025 4382 VAL 37 CA -0.0018 -0.0066 0.0044 4383 VAL 37 C -0.0027 -0.0074 0.0041 4384 VAL 37 O -0.0046 -0.0086 0.0047 4385 VAL 37 CB -0.0034 -0.0079 0.0041 4386 VAL 37 CG1 -0.0026 -0.0070 0.0052 4387 VAL 37 CG2 -0.0034 -0.0089 0.0013 4388 LEU 38 N -0.0011 -0.0066 0.0031 4389 LEU 38 CA -0.0017 -0.0072 0.0026 4390 LEU 38 C -0.0025 -0.0069 0.0052 4391 LEU 38 O -0.0042 -0.0080 0.0055 4392 LEU 38 CB 0.0002 -0.0064 0.0010 4393 LEU 38 CG 0.0006 -0.0071 -0.0020 4394 LEU 38 CD1 -0.0011 -0.0087 -0.0030 4395 LEU 38 CD2 0.0008 -0.0074 -0.0031 4396 TYR 39 N -0.0012 -0.0054 0.0069 4397 TYR 39 CA -0.0017 -0.0048 0.0095 4398 TYR 39 C -0.0020 -0.0051 0.0094 4399 TYR 39 O -0.0038 -0.0061 0.0103 4400 TYR 39 CB -0.0037 -0.0057 0.0112 4401 TYR 39 CG -0.0034 -0.0052 0.0120 4402 TYR 39 CD1 -0.0023 -0.0037 0.0140 4403 TYR 39 CD2 -0.0041 -0.0062 0.0107 4404 TYR 39 CE1 -0.0020 -0.0033 0.0147 4405 TYR 39 CE2 -0.0039 -0.0058 0.0114 4406 TYR 39 CZ -0.0028 -0.0043 0.0134 4407 TYR 39 OH -0.0025 -0.0038 0.0140 4408 VAL 40 N -0.0002 -0.0042 0.0083 4409 VAL 40 CA -0.0003 -0.0043 0.0082 4410 VAL 40 C -0.0003 -0.0033 0.0109 4411 VAL 40 O -0.0014 -0.0039 0.0117 4412 VAL 40 CB 0.0016 -0.0036 0.0062 4413 VAL 40 CG1 0.0017 -0.0036 0.0060 4414 VAL 40 CG2 0.0015 -0.0046 0.0035 4415 GLY 41 N 0.0016 -0.0035 0.0125 4416 GLY 41 CA 0.0013 -0.0033 0.0112 4417 GLY 41 C 0.0007 -0.0033 0.0099 4418 GLY 41 O -0.0002 -0.0038 0.0091 4419 SER 42 N 0.0012 -0.0029 0.0098 4420 SER 42 CA 0.0007 -0.0030 0.0089 4421 SER 42 C 0.0004 -0.0027 0.0073 4422 SER 42 O -0.0005 -0.0032 0.0066 4423 SER 42 CB 0.0014 -0.0025 0.0092 4424 SER 42 OG 0.0009 -0.0026 0.0083 4425 LYS 43 N 0.0012 -0.0019 0.0069 4426 LYS 43 CA 0.0010 -0.0016 0.0055 4427 LYS 43 C 0.0019 -0.0008 0.0055 4428 LYS 43 O 0.0030 -0.0000 0.0057 4429 LYS 43 CB 0.0010 -0.0011 0.0042 4430 LYS 43 CG 0.0006 -0.0010 0.0028 4431 LYS 43 CD 0.0006 -0.0006 0.0016 4432 LYS 43 CE 0.0000 -0.0005 0.0001 4433 LYS 43 NZ 0.0008 0.0003 -0.0002 4434 THR 44 N 0.0015 -0.0011 0.0053 4435 THR 44 CA 0.0023 -0.0004 0.0052 4436 THR 44 C 0.0018 -0.0003 0.0038 4437 THR 44 O 0.0007 -0.0010 0.0033 4438 THR 44 CB 0.0024 -0.0007 0.0064 4439 THR 44 OG1 0.0013 -0.0016 0.0064 4440 THR 44 CG2 0.0029 -0.0008 0.0079 4441 LYS 45 N 0.0025 0.0004 0.0034 4442 LYS 45 CA 0.0022 0.0005 0.0024 4443 LYS 45 C 0.0028 0.0005 0.0018 4444 LYS 45 O 0.0037 0.0005 0.0016 4445 LYS 45 CB 0.0024 0.0005 0.0021 4446 LYS 45 CG 0.0020 0.0005 0.0010 4447 LYS 45 CD 0.0020 0.0006 0.0008 4448 LYS 45 CE 0.0016 0.0006 -0.0003 4449 LYS 45 NZ 0.0016 0.0006 -0.0005 4450 GLU 46 N 0.0024 0.0005 0.0015 4451 GLU 46 CA 0.0030 0.0005 0.0012 4452 GLU 46 C 0.0025 0.0006 0.0003 4453 GLU 46 O 0.0017 0.0006 0.0004 4454 GLU 46 CB 0.0033 0.0005 0.0021 4455 GLU 46 CG 0.0024 0.0005 0.0027 4456 GLU 46 CD 0.0028 0.0004 0.0037 4457 GLU 46 OE1 0.0037 0.0004 0.0039 4458 GLU 46 OE2 0.0021 0.0004 0.0043 4459 GLY 47 N 0.0030 0.0006 -0.0005 4460 GLY 47 CA 0.0026 0.0007 -0.0014 4461 GLY 47 C 0.0020 0.0007 -0.0020 4462 GLY 47 O 0.0012 0.0007 -0.0024 4463 VAL 48 N 0.0023 0.0007 -0.0021 4464 VAL 48 CA 0.0017 0.0007 -0.0025 4465 VAL 48 C 0.0022 0.0008 -0.0035 4466 VAL 48 O 0.0032 0.0008 -0.0035 4467 VAL 48 CB 0.0016 0.0007 -0.0017 4468 VAL 48 CG1 0.0010 0.0007 -0.0021 4469 VAL 48 CG2 0.0011 0.0006 -0.0008 4470 VAL 49 N 0.0009 0.0000 -0.0049 4471 VAL 49 CA 0.0010 -0.0000 -0.0052 4472 VAL 49 C -0.0000 0.0008 -0.0041 4473 VAL 49 O -0.0010 0.0019 -0.0041 4474 VAL 49 CB 0.0012 0.0006 -0.0070 4475 VAL 49 CG1 0.0012 0.0008 -0.0072 4476 VAL 49 CG2 0.0023 -0.0004 -0.0080 4477 HIS 50 N 0.0001 0.0001 -0.0031 4478 HIS 50 CA -0.0009 0.0009 -0.0021 4479 HIS 50 C -0.0007 0.0005 -0.0018 4480 HIS 50 O 0.0001 -0.0007 -0.0014 4481 HIS 50 CB -0.0015 0.0009 -0.0005 4482 HIS 50 CG -0.0008 -0.0005 0.0007 4483 HIS 50 ND1 -0.0010 -0.0009 0.0019 4484 HIS 50 CD2 -0.0001 -0.0015 0.0009 4485 HIS 50 CE1 -0.0003 -0.0021 0.0027 4486 HIS 50 NE2 0.0002 -0.0025 0.0022 4487 GLY 51 N -0.0015 0.0015 -0.0019 4488 GLY 51 CA -0.0014 0.0013 -0.0016 4489 GLY 51 C -0.0006 0.0010 -0.0030 4490 GLY 51 O 0.0002 -0.0001 -0.0030 4491 VAL 52 N -0.0009 0.0020 -0.0044 4492 VAL 52 CA -0.0002 0.0018 -0.0058 4493 VAL 52 C -0.0009 0.0029 -0.0063 4494 VAL 52 O -0.0018 0.0041 -0.0063 4495 VAL 52 CB 0.0002 0.0020 -0.0073 4496 VAL 52 CG1 0.0008 0.0019 -0.0088 4497 VAL 52 CG2 0.0010 0.0008 -0.0069 4498 ALA 53 N -0.0023 0.0041 -0.0069 4499 ALA 53 CA -0.0022 0.0042 -0.0066 4500 ALA 53 C -0.0024 0.0035 -0.0073 4501 ALA 53 O -0.0025 0.0027 -0.0075 4502 ALA 53 CB -0.0020 0.0039 -0.0055 4503 THR 54 N -0.0025 0.0039 -0.0076 4504 THR 54 CA -0.0027 0.0034 -0.0083 4505 THR 54 C -0.0026 0.0036 -0.0081 4506 THR 54 O -0.0026 0.0045 -0.0080 4507 THR 54 CB -0.0029 0.0037 -0.0094 4508 THR 54 OG1 -0.0030 0.0035 -0.0096 4509 THR 54 CG2 -0.0031 0.0032 -0.0102 4510 VAL 55 N -0.0026 0.0028 -0.0080 4511 VAL 55 CA -0.0026 0.0028 -0.0078 4512 VAL 55 C -0.0028 0.0022 -0.0087 4513 VAL 55 O -0.0028 0.0013 -0.0088 4514 VAL 55 CB -0.0023 0.0024 -0.0068 4515 VAL 55 CG1 -0.0023 0.0024 -0.0067 4516 VAL 55 CG2 -0.0021 0.0031 -0.0060 4517 ALA 56 N -0.0029 0.0027 -0.0092 4518 ALA 56 CA -0.0031 0.0022 -0.0100 4519 ALA 56 C -0.0031 0.0024 -0.0098 4520 ALA 56 O -0.0031 0.0033 -0.0099 4521 ALA 56 CB -0.0033 0.0026 -0.0110 4522 GLU 57 N -0.0065 -0.0001 -0.0093 4523 GLU 57 CA -0.0059 -0.0002 -0.0071 4524 GLU 57 C -0.0069 -0.0004 -0.0061 4525 GLU 57 O -0.0088 -0.0007 -0.0058 4526 GLU 57 CB -0.0065 -0.0004 -0.0059 4527 GLU 57 CG -0.0054 -0.0002 -0.0065 4528 GLU 57 CD -0.0061 -0.0004 -0.0053 4529 GLU 57 OE1 -0.0076 -0.0007 -0.0040 4530 GLU 57 OE2 -0.0051 -0.0002 -0.0055 4531 LYS 58 N -0.0055 -0.0003 -0.0056 4532 LYS 58 CA -0.0063 -0.0004 -0.0049 4533 LYS 58 C -0.0052 -0.0004 -0.0029 4534 LYS 58 O -0.0033 -0.0002 -0.0029 4535 LYS 58 CB -0.0059 -0.0002 -0.0067 4536 LYS 58 CG -0.0073 -0.0003 -0.0087 4537 LYS 58 CD -0.0070 -0.0001 -0.0103 4538 LYS 58 CE -0.0083 -0.0002 -0.0123 4539 LYS 58 NZ -0.0080 0.0000 -0.0139 4540 THR 59 N -0.0064 -0.0007 -0.0011 4541 THR 59 CA -0.0054 -0.0008 0.0010 4542 THR 59 C -0.0048 -0.0007 0.0012 4543 THR 59 O -0.0032 -0.0005 0.0022 4544 THR 59 CB -0.0069 -0.0011 0.0028 4545 THR 59 OG1 -0.0074 -0.0012 0.0024 4546 THR 59 CG2 -0.0059 -0.0011 0.0050 4547 LYS 60 N -0.0060 -0.0008 0.0002 4548 LYS 60 CA -0.0054 -0.0007 0.0002 4549 LYS 60 C -0.0063 -0.0007 -0.0018 4550 LYS 60 O -0.0082 -0.0009 -0.0021 4551 LYS 60 CB -0.0062 -0.0010 0.0023 4552 LYS 60 CG -0.0054 -0.0009 0.0026 4553 LYS 60 CD -0.0061 -0.0011 0.0047 4554 LYS 60 CE -0.0053 -0.0010 0.0049 4555 LYS 60 NZ -0.0060 -0.0013 0.0070 4556 GLU 61 N -0.0032 -0.0011 -0.0053 4557 GLU 61 CA -0.0037 -0.0011 -0.0072 4558 GLU 61 C -0.0019 -0.0014 -0.0060 4559 GLU 61 O 0.0008 -0.0021 -0.0060 4560 GLU 61 CB -0.0029 -0.0016 -0.0105 4561 GLU 61 CG -0.0034 -0.0016 -0.0125 4562 GLU 61 CD -0.0027 -0.0021 -0.0157 4563 GLU 61 OE1 -0.0017 -0.0024 -0.0164 4564 GLU 61 OE2 -0.0030 -0.0022 -0.0176 4565 GLN 62 N -0.0035 -0.0010 -0.0050 4566 GLN 62 CA -0.0021 -0.0012 -0.0035 4567 GLN 62 C -0.0031 -0.0011 -0.0050 4568 GLN 62 O -0.0057 -0.0005 -0.0051 4569 GLN 62 CB -0.0028 -0.0008 -0.0002 4570 GLN 62 CG -0.0014 -0.0010 0.0016 4571 GLN 62 CD -0.0020 -0.0005 0.0049 4572 GLN 62 OE1 -0.0037 -0.0001 0.0059 4573 GLN 62 NE2 -0.0008 -0.0007 0.0066 4574 VAL 63 N -0.0010 -0.0017 -0.0063 4575 VAL 63 CA -0.0016 -0.0017 -0.0078 4576 VAL 63 C 0.0004 -0.0020 -0.0063 4577 VAL 63 O 0.0030 -0.0027 -0.0070 4578 VAL 63 CB -0.0011 -0.0021 -0.0112 4579 VAL 63 CG1 -0.0017 -0.0021 -0.0126 4580 VAL 63 CG2 -0.0030 -0.0018 -0.0126 4581 THR 64 N -0.0008 -0.0016 -0.0043 4582 THR 64 CA 0.0009 -0.0018 -0.0027 4583 THR 64 C -0.0007 -0.0015 -0.0031 4584 THR 64 O -0.0029 -0.0009 -0.0017 4585 THR 64 CB 0.0011 -0.0016 0.0007 4586 THR 64 OG1 -0.0016 -0.0009 0.0021 4587 THR 64 CG2 0.0022 -0.0018 0.0012 4588 ASN 65 N 0.0015 -0.0010 -0.0044 4589 ASN 65 CA 0.0013 0.0001 -0.0028 4590 ASN 65 C 0.0006 -0.0010 -0.0013 4591 ASN 65 O 0.0001 -0.0026 -0.0014 4592 ASN 65 CB 0.0015 0.0011 -0.0024 4593 ASN 65 CG 0.0011 0.0002 -0.0018 4594 ASN 65 OD1 0.0004 -0.0012 -0.0011 4595 ASN 65 ND2 0.0013 0.0009 -0.0020 4596 VAL 66 N 0.0004 -0.0001 0.0001 4597 VAL 66 CA -0.0003 -0.0009 0.0017 4598 VAL 66 C -0.0004 0.0002 0.0031 4599 VAL 66 O 0.0001 0.0018 0.0031 4600 VAL 66 CB -0.0005 -0.0012 0.0022 4601 VAL 66 CG1 -0.0003 -0.0020 0.0007 4602 VAL 66 CG2 -0.0004 0.0003 0.0032 4603 GLY 67 N -0.0010 -0.0007 0.0042 4604 GLY 67 CA -0.0012 0.0002 0.0057 4605 GLY 67 C -0.0007 0.0013 0.0053 4606 GLY 67 O -0.0008 0.0020 0.0065 4607 GLY 68 N -0.0002 0.0015 0.0036 4608 GLY 68 CA 0.0004 0.0027 0.0031 4609 GLY 68 C 0.0005 0.0019 0.0018 4610 GLY 68 O 0.0002 0.0004 0.0013 4611 ALA 69 N 0.0001 0.0023 0.0038 4612 ALA 69 CA -0.0004 0.0008 0.0023 4613 ALA 69 C 0.0002 0.0026 -0.0002 4614 ALA 69 O 0.0010 0.0047 0.0003 4615 ALA 69 CB -0.0007 0.0001 0.0045 4616 VAL 70 N -0.0002 0.0016 -0.0029 4617 VAL 70 CA 0.0003 0.0032 -0.0055 4618 VAL 70 C -0.0002 0.0017 -0.0071 4619 VAL 70 O -0.0011 -0.0008 -0.0076 4620 VAL 70 CB 0.0005 0.0036 -0.0076 4621 VAL 70 CG1 0.0009 0.0049 -0.0104 4622 VAL 70 CG2 0.0011 0.0054 -0.0062 4623 VAL 71 N 0.0003 0.0033 -0.0078 4624 VAL 71 CA -0.0000 0.0023 -0.0095 4625 VAL 71 C 0.0004 0.0036 -0.0125 4626 VAL 71 O 0.0014 0.0062 -0.0127 4627 VAL 71 CB 0.0002 0.0029 -0.0080 4628 VAL 71 CG1 -0.0001 0.0021 -0.0100 4629 VAL 71 CG2 -0.0003 0.0013 -0.0052 4630 THR 72 N -0.0002 0.0020 -0.0149 4631 THR 72 CA 0.0002 0.0031 -0.0179 4632 THR 72 C -0.0002 0.0021 -0.0198 4633 THR 72 O -0.0011 -0.0004 -0.0202 4634 THR 72 CB -0.0001 0.0023 -0.0194 4635 THR 72 OG1 -0.0012 -0.0006 -0.0196 4636 THR 72 CG2 0.0003 0.0033 -0.0177 4637 GLY 73 N 0.0017 0.0009 -0.0220 4638 GLY 73 CA 0.0020 0.0010 -0.0220 4639 GLY 73 C 0.0011 0.0011 -0.0209 4640 GLY 73 O 0.0002 0.0008 -0.0213 4641 VAL 74 N 0.0013 0.0016 -0.0195 4642 VAL 74 CA 0.0006 0.0017 -0.0185 4643 VAL 74 C 0.0017 0.0020 -0.0183 4644 VAL 74 O 0.0030 0.0023 -0.0186 4645 VAL 74 CB 0.0002 0.0020 -0.0170 4646 VAL 74 CG1 -0.0006 0.0018 -0.0173 4647 VAL 74 CG2 0.0015 0.0026 -0.0161 4648 THR 75 N 0.0011 0.0020 -0.0178 4649 THR 75 CA 0.0019 0.0023 -0.0177 4650 THR 75 C 0.0013 0.0025 -0.0164 4651 THR 75 O -0.0001 0.0022 -0.0162 4652 THR 75 CB 0.0019 0.0018 -0.0191 4653 THR 75 OG1 0.0024 0.0016 -0.0203 4654 THR 75 CG2 0.0029 0.0021 -0.0191 4655 ALA 76 N 0.0022 0.0030 -0.0156 4656 ALA 76 CA 0.0019 0.0032 -0.0144 4657 ALA 76 C 0.0008 0.0033 -0.0132 4658 ALA 76 O -0.0003 0.0031 -0.0128 4659 ALA 76 CB 0.0013 0.0029 -0.0150 4660 VAL 77 N 0.0023 0.0035 -0.0114 4661 VAL 77 CA 0.0019 0.0027 -0.0095 4662 VAL 77 C 0.0023 0.0036 -0.0084 4663 VAL 77 O 0.0031 0.0052 -0.0084 4664 VAL 77 CB 0.0020 0.0030 -0.0083 4665 VAL 77 CG1 0.0016 0.0022 -0.0063 4666 VAL 77 CG2 0.0016 0.0022 -0.0094 4667 ALA 78 N 0.0017 0.0024 -0.0076 4668 ALA 78 CA 0.0021 0.0032 -0.0067 4669 ALA 78 C 0.0015 0.0020 -0.0050 4670 ALA 78 O 0.0008 0.0006 -0.0053 4671 ALA 78 CB 0.0021 0.0033 -0.0083 4672 GLN 79 N 0.0018 0.0027 -0.0032 4673 GLN 79 CA 0.0013 0.0017 -0.0014 4674 GLN 79 C 0.0018 0.0027 -0.0004 4675 GLN 79 O 0.0025 0.0043 -0.0008 4676 GLN 79 CB 0.0012 0.0015 0.0001 4677 GLN 79 CG 0.0020 0.0032 0.0010 4678 GLN 79 CD 0.0018 0.0029 0.0025 4679 GLN 79 OE1 0.0010 0.0013 0.0028 4680 GLN 79 NE2 0.0024 0.0043 0.0034 4681 LYS 80 N 0.0013 0.0018 0.0009 4682 LYS 80 CA 0.0016 0.0026 0.0023 4683 LYS 80 C 0.0013 0.0018 0.0043 4684 LYS 80 O 0.0005 0.0003 0.0045 4685 LYS 80 CB 0.0015 0.0022 0.0017 4686 LYS 80 CG 0.0020 0.0033 0.0029 4687 LYS 80 CD 0.0018 0.0029 0.0025 4688 LYS 80 CE 0.0023 0.0040 0.0038 4689 LYS 80 NZ 0.0021 0.0036 0.0036 4690 THR 81 N 0.0026 0.0047 0.0043 4691 THR 81 CA 0.0020 0.0051 0.0034 4692 THR 81 C 0.0002 0.0068 0.0000 4693 THR 81 O -0.0028 0.0071 -0.0005 4694 THR 81 CB -0.0005 0.0038 0.0060 4695 THR 81 OG1 0.0013 0.0023 0.0092 4696 THR 81 CG2 -0.0010 0.0043 0.0051 4697 VAL 82 N 0.0020 0.0079 -0.0023 4698 VAL 82 CA 0.0003 0.0095 -0.0055 4699 VAL 82 C -0.0009 0.0094 -0.0054 4700 VAL 82 O 0.0014 0.0091 -0.0048 4701 VAL 82 CB 0.0031 0.0109 -0.0084 4702 VAL 82 CG1 0.0014 0.0125 -0.0117 4703 VAL 82 CG2 0.0041 0.0110 -0.0086 4704 GLU 83 N -0.0045 0.0097 -0.0059 4705 GLU 83 CA -0.0063 0.0097 -0.0060 4706 GLU 83 C -0.0057 0.0081 -0.0027 4707 GLU 83 O -0.0039 0.0081 -0.0025 4708 GLU 83 CB -0.0050 0.0112 -0.0090 4709 GLU 83 CG -0.0061 0.0128 -0.0123 4710 GLU 83 CD -0.0049 0.0143 -0.0152 4711 GLU 83 OE1 -0.0029 0.0140 -0.0147 4712 GLU 83 OE2 -0.0058 0.0157 -0.0181 4713 GLY 84 N -0.0073 0.0069 -0.0000 4714 GLY 84 CA -0.0073 0.0053 0.0032 4715 GLY 84 C -0.0092 0.0041 0.0057 4716 GLY 84 O -0.0104 0.0044 0.0051 4717 ALA 85 N -0.0035 0.0041 0.0130 4718 ALA 85 CA -0.0033 0.0046 0.0127 4719 ALA 85 C -0.0031 0.0037 0.0117 4720 ALA 85 O -0.0033 0.0025 0.0119 4721 ALA 85 CB -0.0037 0.0049 0.0138 4722 GLY 86 N -0.0028 0.0042 0.0108 4723 GLY 86 CA -0.0026 0.0034 0.0099 4724 GLY 86 C -0.0024 0.0039 0.0096 4725 GLY 86 O -0.0021 0.0049 0.0089 4726 SER 87 N -0.0026 0.0031 0.0099 4727 SER 87 CA -0.0025 0.0034 0.0097 4728 SER 87 C -0.0023 0.0024 0.0087 4729 SER 87 O -0.0025 0.0013 0.0090 4730 SER 87 CB -0.0029 0.0034 0.0109 4731 SER 87 OG -0.0030 0.0045 0.0117 4732 ILE 88 N -0.0018 0.0028 0.0075 4733 ILE 88 CA -0.0016 0.0018 0.0065 4734 ILE 88 C -0.0017 0.0013 0.0065 4735 ILE 88 O -0.0019 0.0001 0.0067 4736 ILE 88 CB -0.0011 0.0025 0.0052 4737 ILE 88 CG1 -0.0011 0.0026 0.0051 4738 ILE 88 CG2 -0.0009 0.0016 0.0041 4739 ILE 88 CD1 -0.0006 0.0034 0.0040 4740 ALA 89 N -0.0019 0.0050 0.0056 4741 ALA 89 CA -0.0018 0.0053 0.0044 4742 ALA 89 C -0.0008 0.0063 0.0059 4743 ALA 89 O 0.0005 0.0079 0.0056 4744 ALA 89 CB -0.0014 0.0064 0.0022 4745 ALA 90 N -0.0013 0.0053 0.0075 4746 ALA 90 CA -0.0004 0.0060 0.0090 4747 ALA 90 C -0.0008 0.0056 0.0085 4748 ALA 90 O -0.0021 0.0044 0.0075 4749 ALA 90 CB -0.0006 0.0052 0.0114 4750 ALA 91 N 0.0002 0.0068 0.0090 4751 ALA 91 CA 0.0000 0.0066 0.0085 4752 ALA 91 C 0.0010 0.0075 0.0102 4753 ALA 91 O 0.0024 0.0090 0.0104 4754 ALA 91 CB 0.0003 0.0075 0.0061 4755 THR 92 N 0.0004 0.0064 0.0114 4756 THR 92 CA 0.0013 0.0071 0.0130 4757 THR 92 C 0.0009 0.0068 0.0124 4758 THR 92 O -0.0003 0.0055 0.0115 4759 THR 92 CB 0.0009 0.0062 0.0153 4760 THR 92 OG1 -0.0005 0.0044 0.0154 4761 THR 92 CG2 0.0011 0.0063 0.0159 4762 GLY 93 N 0.0067 0.0061 0.0155 4763 GLY 93 CA 0.0055 0.0060 0.0121 4764 GLY 93 C 0.0037 0.0064 0.0120 4765 GLY 93 O 0.0013 0.0067 0.0100 4766 PHE 94 N 0.0049 0.0063 0.0141 4767 PHE 94 CA 0.0036 0.0067 0.0142 4768 PHE 94 C 0.0038 0.0070 0.0179 4769 PHE 94 O 0.0064 0.0066 0.0197 4770 PHE 94 CB 0.0056 0.0060 0.0119 4771 PHE 94 CG 0.0051 0.0057 0.0081 4772 PHE 94 CD1 0.0024 0.0061 0.0063 4773 PHE 94 CD2 0.0072 0.0050 0.0064 4774 PHE 94 CE1 0.0020 0.0058 0.0028 4775 PHE 94 CE2 0.0067 0.0048 0.0029 4776 PHE 94 CZ 0.0041 0.0052 0.0011 4777 VAL 95 N 0.0011 0.0077 0.0191 4778 VAL 95 CA 0.0011 0.0081 0.0224 4779 VAL 95 C -0.0005 0.0084 0.0218 4780 VAL 95 O -0.0034 0.0089 0.0205 4781 VAL 95 CB -0.0009 0.0088 0.0252 4782 VAL 95 CG1 -0.0012 0.0092 0.0284 4783 VAL 95 CG2 0.0008 0.0085 0.0261 4784 LYS 96 N 0.0014 0.0080 0.0226 4785 LYS 96 CA 0.0003 0.0082 0.0221 4786 LYS 96 C 0.0004 0.0086 0.0255 4787 LYS 96 O 0.0014 0.0086 0.0282 4788 LYS 96 CB 0.0025 0.0075 0.0194 4789 LYS 96 CG 0.0022 0.0071 0.0158 4790 LYS 96 CD -0.0011 0.0077 0.0140 4791 LYS 96 CE -0.0014 0.0074 0.0104 4792 LYS 96 NZ 0.0010 0.0066 0.0080 4793 LYS 97 N 0.0038 -0.0026 0.0195 4794 LYS 97 CA -0.0014 0.0097 0.0175 4795 LYS 97 C -0.0153 0.0083 0.0136 4796 LYS 97 O -0.0202 0.0007 0.0125 4797 LYS 97 CB 0.0030 0.0195 0.0184 4798 LYS 97 CG -0.0010 0.0331 0.0167 4799 LYS 97 CD 0.0046 0.0386 0.0181 4800 LYS 97 CE 0.0002 0.0519 0.0163 4801 LYS 97 NZ 0.0043 0.0607 0.0172 4802 ASP 98 N -0.0214 0.0156 0.0115 4803 ASP 98 CA -0.0347 0.0163 0.0077 4804 ASP 98 C -0.0380 0.0303 0.0063 4805 ASP 98 O -0.0299 0.0386 0.0082 4806 ASP 98 CB -0.0401 0.0078 0.0065 4807 ASP 98 CG -0.0535 0.0046 0.0028 4808 ASP 98 OD1 -0.0589 0.0094 0.0011 4809 ASP 98 OD2 -0.0587 -0.0027 0.0016 4810 GLN 99 N -0.0498 0.0330 0.0028 4811 GLN 99 CA -0.0542 0.0458 0.0010 4812 GLN 99 C -0.0508 0.0511 0.0018 4813 GLN 99 O -0.0460 0.0616 0.0028 4814 GLN 99 CB -0.0681 0.0462 -0.0029 4815 GLN 99 CG -0.0734 0.0593 -0.0050 4816 GLN 99 CD -0.0871 0.0593 -0.0089 4817 GLN 99 OE1 -0.0928 0.0493 -0.0101 4818 GLN 99 NE2 -0.0925 0.0705 -0.0109 4819 VAL 37 N 0.0130 0.0161 0.0004 4820 VAL 37 CA 0.0113 0.0125 0.0039 4821 VAL 37 C 0.0072 0.0093 0.0029 4822 VAL 37 O 0.0045 0.0062 0.0041 4823 VAL 37 CB 0.0112 0.0124 0.0038 4824 VAL 37 CG1 0.0155 0.0148 0.0062 4825 VAL 37 CG2 0.0096 0.0141 -0.0013 4826 LEU 38 N 0.0068 0.0103 0.0007 4827 LEU 38 CA 0.0029 0.0076 -0.0006 4828 LEU 38 C 0.0022 0.0043 0.0039 4829 LEU 38 O -0.0012 0.0009 0.0044 4830 LEU 38 CB 0.0029 0.0097 -0.0040 4831 LEU 38 CG 0.0014 0.0116 -0.0095 4832 LEU 38 CD1 -0.0033 0.0087 -0.0115 4833 LEU 38 CD2 0.0036 0.0146 -0.0111 4834 TYR 39 N 0.0055 0.0052 0.0071 4835 TYR 39 CA 0.0055 0.0025 0.0117 4836 TYR 39 C 0.0020 -0.0002 0.0111 4837 TYR 39 O -0.0008 -0.0037 0.0126 4838 TYR 39 CB 0.0053 0.0002 0.0151 4839 TYR 39 CG 0.0091 0.0025 0.0170 4840 TYR 39 CD1 0.0126 0.0034 0.0207 4841 TYR 39 CD2 0.0092 0.0038 0.0150 4842 TYR 39 CE1 0.0161 0.0055 0.0224 4843 TYR 39 CE2 0.0126 0.0059 0.0167 4844 TYR 39 CZ 0.0161 0.0068 0.0203 4845 TYR 39 OH 0.0196 0.0089 0.0220 4846 VAL 40 N 0.0023 0.0014 0.0087 4847 VAL 40 CA -0.0007 -0.0009 0.0080 4848 VAL 40 C 0.0001 -0.0030 0.0127 4849 VAL 40 O -0.0029 -0.0064 0.0139 4850 VAL 40 CB -0.0006 0.0017 0.0039 4851 VAL 40 CG1 -0.0036 -0.0006 0.0032 4852 VAL 40 CG2 -0.0015 0.0037 -0.0007 4853 GLY 41 N 0.0006 -0.0065 0.0144 4854 GLY 41 CA 0.0003 -0.0063 0.0131 4855 GLY 41 C -0.0002 -0.0063 0.0121 4856 GLY 41 O -0.0011 -0.0067 0.0113 4857 SER 42 N 0.0004 -0.0060 0.0121 4858 SER 42 CA -0.0001 -0.0061 0.0114 4859 SER 42 C -0.0003 -0.0058 0.0099 4860 SER 42 O -0.0012 -0.0062 0.0092 4861 SER 42 CB 0.0007 -0.0057 0.0118 4862 SER 42 OG 0.0002 -0.0058 0.0111 4863 LYS 43 N 0.0005 -0.0052 0.0093 4864 LYS 43 CA 0.0002 -0.0049 0.0079 4865 LYS 43 C 0.0011 -0.0044 0.0078 4866 LYS 43 O 0.0022 -0.0037 0.0080 4867 LYS 43 CB 0.0003 -0.0046 0.0069 4868 LYS 43 CG -0.0000 -0.0045 0.0055 4869 LYS 43 CD 0.0000 -0.0042 0.0045 4870 LYS 43 CE -0.0005 -0.0041 0.0031 4871 LYS 43 NZ 0.0002 -0.0035 0.0026 4872 THR 44 N 0.0007 -0.0045 0.0075 4873 THR 44 CA 0.0014 -0.0040 0.0071 4874 THR 44 C 0.0009 -0.0039 0.0058 4875 THR 44 O -0.0001 -0.0045 0.0053 4876 THR 44 CB 0.0014 -0.0043 0.0082 4877 THR 44 OG1 0.0003 -0.0050 0.0081 4878 THR 44 CG2 0.0019 -0.0044 0.0096 4879 LYS 45 N -0.0001 -0.0008 0.0045 4880 LYS 45 CA -0.0006 -0.0004 0.0030 4881 LYS 45 C 0.0006 -0.0002 0.0022 4882 LYS 45 O 0.0017 -0.0001 0.0019 4883 LYS 45 CB -0.0007 -0.0003 0.0026 4884 LYS 45 CG -0.0013 0.0001 0.0012 4885 LYS 45 CD -0.0016 0.0002 0.0010 4886 LYS 45 CE -0.0023 0.0006 -0.0004 4887 LYS 45 NZ -0.0027 0.0007 -0.0007 4888 GLU 46 N 0.0003 -0.0001 0.0018 4889 GLU 46 CA 0.0014 0.0001 0.0012 4890 GLU 46 C 0.0008 0.0004 0.0000 4891 GLU 46 O -0.0002 0.0004 0.0002 4892 GLU 46 CB 0.0020 -0.0003 0.0024 4893 GLU 46 CG 0.0009 -0.0005 0.0033 4894 GLU 46 CD 0.0016 -0.0009 0.0046 4895 GLU 46 OE1 0.0029 -0.0010 0.0048 4896 GLU 46 OE2 0.0008 -0.0011 0.0054 4897 GLY 47 N 0.0016 0.0008 -0.0011 4898 GLY 47 CA 0.0011 0.0011 -0.0024 4899 GLY 47 C -0.0000 0.0014 -0.0032 4900 GLY 47 O -0.0010 0.0016 -0.0037 4901 VAL 48 N 0.0002 0.0014 -0.0033 4902 VAL 48 CA -0.0009 0.0016 -0.0038 4903 VAL 48 C -0.0004 0.0019 -0.0050 4904 VAL 48 O 0.0008 0.0019 -0.0051 4905 VAL 48 CB -0.0014 0.0012 -0.0026 4906 VAL 48 CG1 -0.0025 0.0014 -0.0031 4907 VAL 48 CG2 -0.0019 0.0009 -0.0014 4908 VAL 49 N -0.0024 0.0034 -0.0070 4909 VAL 49 CA -0.0023 0.0034 -0.0074 4910 VAL 49 C -0.0036 0.0043 -0.0061 4911 VAL 49 O -0.0048 0.0057 -0.0061 4912 VAL 49 CB -0.0020 0.0042 -0.0097 4913 VAL 49 CG1 -0.0021 0.0045 -0.0100 4914 VAL 49 CG2 -0.0005 0.0031 -0.0109 4915 HIS 50 N -0.0035 0.0036 -0.0050 4916 HIS 50 CA -0.0048 0.0045 -0.0038 4917 HIS 50 C -0.0046 0.0041 -0.0034 4918 HIS 50 O -0.0036 0.0026 -0.0030 4919 HIS 50 CB -0.0056 0.0044 -0.0018 4920 HIS 50 CG -0.0047 0.0027 -0.0003 4921 HIS 50 ND1 -0.0049 0.0022 0.0011 4922 HIS 50 CD2 -0.0038 0.0015 0.0000 4923 HIS 50 CE1 -0.0041 0.0007 0.0022 4924 HIS 50 NE2 -0.0034 0.0002 0.0016 4925 GLY 51 N -0.0056 0.0053 -0.0036 4926 GLY 51 CA -0.0055 0.0051 -0.0033 4927 GLY 51 C -0.0045 0.0048 -0.0051 4928 GLY 51 O -0.0034 0.0035 -0.0051 4929 VAL 52 N -0.0049 0.0061 -0.0068 4930 VAL 52 CA -0.0040 0.0060 -0.0086 4931 VAL 52 C -0.0049 0.0073 -0.0092 4932 VAL 52 O -0.0061 0.0087 -0.0093 4933 VAL 52 CB -0.0034 0.0061 -0.0103 4934 VAL 52 CG1 -0.0026 0.0062 -0.0123 4935 VAL 52 CG2 -0.0024 0.0047 -0.0098 4936 ALA 53 N -0.0027 0.0082 -0.0106 4937 ALA 53 CA -0.0025 0.0082 -0.0099 4938 ALA 53 C -0.0029 0.0072 -0.0107 4939 ALA 53 O -0.0032 0.0059 -0.0111 4940 ALA 53 CB -0.0020 0.0078 -0.0082 4941 THR 54 N -0.0029 0.0077 -0.0109 4942 THR 54 CA -0.0033 0.0068 -0.0118 4943 THR 54 C -0.0031 0.0070 -0.0112 4944 THR 54 O -0.0028 0.0083 -0.0110 4945 THR 54 CB -0.0037 0.0073 -0.0135 4946 THR 54 OG1 -0.0039 0.0071 -0.0140 4947 THR 54 CG2 -0.0041 0.0065 -0.0144 4948 VAL 55 N -0.0032 0.0057 -0.0108 4949 VAL 55 CA -0.0030 0.0058 -0.0103 4950 VAL 55 C -0.0035 0.0048 -0.0114 4951 VAL 55 O -0.0038 0.0035 -0.0117 4952 VAL 55 CB -0.0026 0.0051 -0.0087 4953 VAL 55 CG1 -0.0025 0.0050 -0.0082 4954 VAL 55 CG2 -0.0021 0.0061 -0.0076 4955 ALA 56 N -0.0036 0.0055 -0.0120 4956 ALA 56 CA -0.0040 0.0047 -0.0130 4957 ALA 56 C -0.0038 0.0049 -0.0125 4958 ALA 56 O -0.0036 0.0061 -0.0126 4959 ALA 56 CB -0.0044 0.0053 -0.0146 4960 GLU 57 N -0.0001 -0.0020 -0.0148 4961 GLU 57 CA 0.0009 -0.0014 -0.0108 4962 GLU 57 C -0.0003 -0.0015 -0.0093 4963 GLU 57 O -0.0036 -0.0022 -0.0088 4964 GLU 57 CB -0.0009 -0.0016 -0.0085 4965 GLU 57 CG 0.0006 -0.0014 -0.0095 4966 GLU 57 CD -0.0013 -0.0015 -0.0071 4967 GLU 57 OE1 -0.0039 -0.0019 -0.0049 4968 GLU 57 OE2 -0.0001 -0.0013 -0.0075 4969 LYS 58 N 0.0024 -0.0009 -0.0085 4970 LYS 58 CA 0.0017 -0.0010 -0.0075 4971 LYS 58 C 0.0037 -0.0002 -0.0038 4972 LYS 58 O 0.0071 0.0005 -0.0039 4973 LYS 58 CB 0.0029 -0.0010 -0.0107 4974 LYS 58 CG 0.0005 -0.0018 -0.0142 4975 LYS 58 CD 0.0017 -0.0018 -0.0172 4976 LYS 58 CE -0.0007 -0.0026 -0.0207 4977 LYS 58 NZ 0.0003 -0.0027 -0.0237 4978 THR 59 N 0.0016 -0.0004 -0.0007 4979 THR 59 CA 0.0033 0.0003 0.0030 4980 THR 59 C 0.0050 0.0007 0.0032 4981 THR 59 O 0.0080 0.0015 0.0049 4982 THR 59 CB 0.0005 0.0000 0.0062 4983 THR 59 OG1 -0.0011 -0.0004 0.0058 4984 THR 59 CG2 0.0022 0.0007 0.0101 4985 LYS 60 N 0.0034 0.0002 0.0013 4986 LYS 60 CA 0.0051 0.0005 0.0011 4987 LYS 60 C 0.0039 -0.0001 -0.0025 4988 LYS 60 O 0.0006 -0.0008 -0.0030 4989 LYS 60 CB 0.0039 0.0006 0.0046 4990 LYS 60 CG 0.0059 0.0010 0.0050 4991 LYS 60 CD 0.0049 0.0012 0.0087 4992 LYS 60 CE 0.0070 0.0016 0.0090 4993 LYS 60 NZ 0.0060 0.0017 0.0126 4994 GLU 61 N 0.0110 -0.0082 -0.0062 4995 GLU 61 CA 0.0100 -0.0079 -0.0089 4996 GLU 61 C 0.0122 -0.0085 -0.0069 4997 GLU 61 O 0.0162 -0.0095 -0.0068 4998 GLU 61 CB 0.0114 -0.0082 -0.0137 4999 GLU 61 CG 0.0103 -0.0079 -0.0166 5000 GLU 61 CD 0.0115 -0.0082 -0.0214 5001 GLU 61 OE1 0.0132 -0.0086 -0.0225 5002 GLU 61 OE2 0.0108 -0.0080 -0.0241 5003 GLN 62 N 0.0096 -0.0079 -0.0052 5004 GLN 62 CA 0.0113 -0.0083 -0.0029 5005 GLN 62 C 0.0096 -0.0078 -0.0051 5006 GLN 62 O 0.0056 -0.0068 -0.0052 5007 GLN 62 CB 0.0101 -0.0080 0.0020 5008 GLN 62 CG 0.0119 -0.0085 0.0048 5009 GLN 62 CD 0.0108 -0.0083 0.0097 5010 GLN 62 OE1 0.0086 -0.0077 0.0110 5011 GLN 62 NE2 0.0124 -0.0087 0.0123 5012 VAL 63 N 0.0124 -0.0086 -0.0068 5013 VAL 63 CA 0.0112 -0.0082 -0.0089 5014 VAL 63 C 0.0137 -0.0089 -0.0066 5015 VAL 63 O 0.0175 -0.0098 -0.0076 5016 VAL 63 CB 0.0120 -0.0084 -0.0139 5017 VAL 63 CG1 0.0108 -0.0081 -0.0159 5018 VAL 63 CG2 0.0096 -0.0078 -0.0162 5019 THR 64 N 0.0117 -0.0084 -0.0035 5020 THR 64 CA 0.0138 -0.0090 -0.0010 5021 THR 64 C 0.0112 -0.0083 -0.0015 5022 THR 64 O 0.0078 -0.0074 0.0006 5023 THR 64 CB 0.0143 -0.0091 0.0039 5024 THR 64 OG1 0.0101 -0.0081 0.0060 5025 THR 64 CG2 0.0161 -0.0096 0.0046 5026 ASN 65 N 0.0035 -0.0103 -0.0037 5027 ASN 65 CA 0.0023 -0.0087 -0.0019 5028 ASN 65 C 0.0008 -0.0102 -0.0001 5029 ASN 65 O 0.0007 -0.0122 -0.0001 5030 ASN 65 CB 0.0025 -0.0064 -0.0021 5031 ASN 65 CG 0.0021 -0.0069 -0.0016 5032 ASN 65 OD1 0.0014 -0.0086 -0.0007 5033 ASN 65 ND2 0.0027 -0.0052 -0.0023 5034 VAL 66 N -0.0004 -0.0091 0.0016 5035 VAL 66 CA -0.0019 -0.0101 0.0035 5036 VAL 66 C -0.0027 -0.0080 0.0047 5037 VAL 66 O -0.0024 -0.0059 0.0046 5038 VAL 66 CB -0.0027 -0.0113 0.0046 5039 VAL 66 CG1 -0.0018 -0.0131 0.0032 5040 VAL 66 CG2 -0.0035 -0.0096 0.0058 5041 GLY 67 N -0.0035 -0.0086 0.0058 5042 GLY 67 CA -0.0044 -0.0068 0.0072 5043 GLY 67 C -0.0036 -0.0046 0.0062 5044 GLY 67 O -0.0044 -0.0031 0.0073 5045 GLY 68 N -0.0022 -0.0044 0.0043 5046 GLY 68 CA -0.0014 -0.0022 0.0033 5047 GLY 68 C -0.0001 -0.0029 0.0016 5048 GLY 68 O 0.0001 -0.0050 0.0012 5049 ALA 69 N -0.0027 -0.0062 0.0036 5050 ALA 69 CA -0.0034 -0.0079 0.0020 5051 ALA 69 C -0.0021 -0.0057 -0.0011 5052 ALA 69 O -0.0008 -0.0029 -0.0002 5053 ALA 69 CB -0.0039 -0.0085 0.0052 5054 VAL 70 N -0.0024 -0.0070 -0.0047 5055 VAL 70 CA -0.0012 -0.0051 -0.0080 5056 VAL 70 C -0.0019 -0.0067 -0.0096 5057 VAL 70 O -0.0033 -0.0099 -0.0103 5058 VAL 70 CB -0.0009 -0.0049 -0.0110 5059 VAL 70 CG1 0.0002 -0.0032 -0.0146 5060 VAL 70 CG2 -0.0001 -0.0028 -0.0095 5061 VAL 71 N -0.0008 -0.0046 -0.0102 5062 VAL 71 CA -0.0012 -0.0056 -0.0122 5063 VAL 71 C -0.0001 -0.0040 -0.0161 5064 VAL 71 O 0.0014 -0.0008 -0.0164 5065 VAL 71 CB -0.0008 -0.0045 -0.0098 5066 VAL 71 CG1 -0.0010 -0.0053 -0.0121 5067 VAL 71 CG2 -0.0020 -0.0063 -0.0061 5068 THR 72 N -0.0009 -0.0062 -0.0192 5069 THR 72 CA 0.0000 -0.0049 -0.0231 5070 THR 72 C -0.0003 -0.0060 -0.0252 5071 THR 72 O -0.0018 -0.0091 -0.0258 5072 THR 72 CB -0.0004 -0.0063 -0.0254 5073 THR 72 OG1 -0.0022 -0.0100 -0.0258 5074 THR 72 CG2 -0.0001 -0.0052 -0.0236 5075 GLY 73 N -0.0025 -0.0027 -0.0287 5076 GLY 73 CA -0.0018 -0.0025 -0.0286 5077 GLY 73 C -0.0031 -0.0020 -0.0268 5078 GLY 73 O -0.0043 -0.0025 -0.0273 5079 VAL 74 N -0.0029 -0.0010 -0.0246 5080 VAL 74 CA -0.0039 -0.0004 -0.0228 5081 VAL 74 C -0.0019 0.0002 -0.0224 5082 VAL 74 O 0.0003 0.0005 -0.0229 5083 VAL 74 CB -0.0048 0.0004 -0.0206 5084 VAL 74 CG1 -0.0064 -0.0002 -0.0212 5085 VAL 74 CG2 -0.0028 0.0015 -0.0191 5086 THR 75 N -0.0026 0.0004 -0.0216 5087 THR 75 CA -0.0009 0.0009 -0.0214 5088 THR 75 C -0.0019 0.0016 -0.0193 5089 THR 75 O -0.0041 0.0013 -0.0190 5090 THR 75 CB -0.0007 -0.0000 -0.0235 5091 THR 75 OG1 0.0001 -0.0007 -0.0255 5092 THR 75 CG2 0.0012 0.0005 -0.0234 5093 ALA 76 N -0.0002 0.0026 -0.0179 5094 ALA 76 CA -0.0006 0.0034 -0.0160 5095 ALA 76 C -0.0026 0.0037 -0.0142 5096 ALA 76 O -0.0043 0.0037 -0.0134 5097 ALA 76 CB -0.0012 0.0028 -0.0169 5098 VAL 77 N 0.0012 0.0023 -0.0126 5099 VAL 77 CA 0.0009 0.0013 -0.0104 5100 VAL 77 C 0.0012 0.0023 -0.0096 5101 VAL 77 O 0.0018 0.0043 -0.0096 5102 VAL 77 CB 0.0010 0.0017 -0.0088 5103 VAL 77 CG1 0.0007 0.0007 -0.0066 5104 VAL 77 CG2 0.0007 0.0008 -0.0098 5105 ALA 78 N 0.0008 0.0010 -0.0089 5106 ALA 78 CA 0.0010 0.0018 -0.0082 5107 ALA 78 C 0.0006 0.0004 -0.0064 5108 ALA 78 O 0.0001 -0.0014 -0.0069 5109 ALA 78 CB 0.0011 0.0019 -0.0102 5110 GLN 79 N 0.0009 0.0012 -0.0044 5111 GLN 79 CA 0.0006 0.0000 -0.0025 5112 GLN 79 C 0.0009 0.0011 -0.0017 5113 GLN 79 O 0.0014 0.0030 -0.0022 5114 GLN 79 CB 0.0005 -0.0003 -0.0006 5115 GLN 79 CG 0.0011 0.0018 0.0006 5116 GLN 79 CD 0.0010 0.0014 0.0024 5117 GLN 79 OE1 0.0005 -0.0004 0.0029 5118 GLN 79 NE2 0.0015 0.0031 0.0036 5119 LYS 80 N 0.0006 -0.0001 -0.0004 5120 LYS 80 CA 0.0008 0.0009 0.0009 5121 LYS 80 C 0.0006 0.0000 0.0032 5122 LYS 80 O 0.0001 -0.0018 0.0035 5123 LYS 80 CB 0.0007 0.0004 -0.0001 5124 LYS 80 CG 0.0011 0.0016 0.0010 5125 LYS 80 CD 0.0009 0.0011 0.0001 5126 LYS 80 CE 0.0013 0.0024 0.0014 5127 LYS 80 NZ 0.0012 0.0020 0.0008 5128 THR 81 N 0.0136 0.0024 0.0038 5129 THR 81 CA 0.0143 0.0023 0.0034 5130 THR 81 C 0.0119 0.0036 -0.0017 5131 THR 81 O 0.0072 0.0046 -0.0025 5132 THR 81 CB 0.0118 0.0020 0.0082 5133 THR 81 OG1 0.0142 0.0008 0.0130 5134 THR 81 CG2 0.0127 0.0019 0.0078 5135 VAL 82 N 0.0151 0.0036 -0.0050 5136 VAL 82 CA 0.0133 0.0047 -0.0097 5137 VAL 82 C 0.0132 0.0045 -0.0084 5138 VAL 82 O 0.0174 0.0035 -0.0072 5139 VAL 82 CB 0.0167 0.0049 -0.0147 5140 VAL 82 CG1 0.0150 0.0060 -0.0193 5141 VAL 82 CG2 0.0164 0.0052 -0.0161 5142 GLU 83 N 0.0085 0.0054 -0.0086 5143 GLU 83 CA 0.0076 0.0054 -0.0077 5144 GLU 83 C 0.0093 0.0042 -0.0021 5145 GLU 83 O 0.0129 0.0034 -0.0014 5146 GLU 83 CB 0.0103 0.0056 -0.0120 5147 GLU 83 CG 0.0081 0.0069 -0.0175 5148 GLU 83 CD 0.0106 0.0072 -0.0217 5149 GLU 83 OE1 0.0144 0.0063 -0.0204 5150 GLU 83 OE2 0.0089 0.0082 -0.0263 5151 GLY 84 N 0.0065 0.0040 0.0019 5152 GLY 84 CA 0.0073 0.0029 0.0074 5153 GLY 84 C 0.0037 0.0030 0.0111 5154 GLY 84 O 0.0008 0.0038 0.0094 5155 ALA 85 N -0.0004 -0.0043 0.0196 5156 ALA 85 CA -0.0002 -0.0022 0.0188 5157 ALA 85 C -0.0006 -0.0032 0.0169 5158 ALA 85 O -0.0009 -0.0053 0.0172 5159 ALA 85 CB 0.0002 -0.0010 0.0213 5160 GLY 86 N -0.0007 -0.0016 0.0148 5161 GLY 86 CA -0.0010 -0.0024 0.0128 5162 GLY 86 C -0.0009 -0.0003 0.0121 5163 GLY 86 O -0.0008 0.0017 0.0109 5164 SER 87 N -0.0008 -0.0008 0.0128 5165 SER 87 CA -0.0007 0.0010 0.0122 5166 SER 87 C -0.0011 -0.0004 0.0101 5167 SER 87 O -0.0013 -0.0022 0.0108 5168 SER 87 CB -0.0003 0.0016 0.0147 5169 SER 87 OG 0.0002 0.0031 0.0166 5170 ILE 88 N -0.0013 0.0007 0.0077 5171 ILE 88 CA -0.0018 -0.0008 0.0055 5172 ILE 88 C -0.0017 -0.0005 0.0055 5173 ILE 88 O -0.0020 -0.0026 0.0058 5174 ILE 88 CB -0.0020 0.0002 0.0028 5175 ILE 88 CG1 -0.0021 -0.0008 0.0027 5176 ILE 88 CG2 -0.0024 -0.0009 0.0005 5177 ILE 88 CD1 -0.0023 0.0003 0.0004 5178 ALA 89 N -0.0033 0.0041 0.0052 5179 ALA 89 CA -0.0034 0.0038 0.0033 5180 ALA 89 C -0.0026 0.0051 0.0054 5181 ALA 89 O -0.0007 0.0072 0.0050 5182 ALA 89 CB -0.0021 0.0050 0.0000 5183 ALA 90 N -0.0040 0.0037 0.0077 5184 ALA 90 CA -0.0034 0.0046 0.0099 5185 ALA 90 C -0.0044 0.0034 0.0090 5186 ALA 90 O -0.0060 0.0013 0.0076 5187 ALA 90 CB -0.0042 0.0041 0.0135 5188 ALA 91 N -0.0033 0.0047 0.0098 5189 ALA 91 CA -0.0040 0.0038 0.0088 5190 ALA 91 C -0.0032 0.0050 0.0113 5191 ALA 91 O -0.0013 0.0073 0.0116 5192 ALA 91 CB -0.0031 0.0044 0.0053 5193 THR 92 N -0.0047 0.0035 0.0130 5194 THR 92 CA -0.0042 0.0044 0.0153 5195 THR 92 C -0.0051 0.0032 0.0143 5196 THR 92 O -0.0068 0.0011 0.0130 5197 THR 92 CB -0.0052 0.0037 0.0188 5198 THR 92 OG1 -0.0075 0.0010 0.0189 5199 THR 92 CG2 -0.0045 0.0046 0.0198 5200 GLY 93 N -0.0019 0.0111 0.0198 5201 GLY 93 CA -0.0038 0.0103 0.0153 5202 GLY 93 C -0.0068 0.0110 0.0150 5203 GLY 93 O -0.0102 0.0111 0.0125 5204 PHE 94 N -0.0057 0.0114 0.0177 5205 PHE 94 CA -0.0081 0.0120 0.0177 5206 PHE 94 C -0.0080 0.0133 0.0224 5207 PHE 94 O -0.0044 0.0131 0.0247 5208 PHE 94 CB -0.0061 0.0107 0.0146 5209 PHE 94 CG -0.0069 0.0095 0.0097 5210 PHE 94 CD1 -0.0107 0.0098 0.0073 5211 PHE 94 CD2 -0.0037 0.0081 0.0075 5212 PHE 94 CE1 -0.0114 0.0087 0.0028 5213 PHE 94 CE2 -0.0044 0.0070 0.0030 5214 PHE 94 CZ -0.0082 0.0074 0.0007 5215 VAL 95 N -0.0118 0.0146 0.0238 5216 VAL 95 CA -0.0120 0.0159 0.0280 5217 VAL 95 C -0.0149 0.0163 0.0270 5218 VAL 95 O -0.0188 0.0168 0.0253 5219 VAL 95 CB -0.0141 0.0174 0.0316 5220 VAL 95 CG1 -0.0148 0.0187 0.0357 5221 VAL 95 CG2 -0.0111 0.0170 0.0330 5222 LYS 96 N -0.0129 0.0161 0.0279 5223 LYS 96 CA -0.0151 0.0164 0.0270 5224 LYS 96 C -0.0153 0.0176 0.0313 5225 LYS 96 O -0.0136 0.0182 0.0349 5226 LYS 96 CB -0.0128 0.0148 0.0235 5227 LYS 96 CG -0.0130 0.0136 0.0189 5228 LYS 96 CD -0.0176 0.0141 0.0165 5229 LYS 96 CE -0.0178 0.0129 0.0120 5230 LYS 96 NZ -0.0151 0.0113 0.0088 5231 LYS 97 N 0.0138 0.0100 0.0384 5232 LYS 97 CA 0.0167 0.0056 0.0250 5233 LYS 97 C 0.0206 0.0063 0.0365 5234 LYS 97 O 0.0287 0.0061 0.0527 5235 LYS 97 CB 0.0321 -0.0046 0.0129 5236 LYS 97 CG 0.0354 -0.0097 -0.0027 5237 LYS 97 CD 0.0201 -0.0060 -0.0185 5238 LYS 97 CE 0.0234 -0.0110 -0.0338 5239 LYS 97 NZ 0.0392 -0.0209 -0.0440 5240 ASP 98 N 0.0144 0.0074 0.0281 5241 ASP 98 CA 0.0183 0.0074 0.0362 5242 ASP 98 C 0.0224 0.0016 0.0197 5243 ASP 98 O 0.0228 -0.0023 0.0032 5244 ASP 98 CB 0.0027 0.0173 0.0470 5245 ASP 98 CG 0.0078 0.0181 0.0612 5246 ASP 98 OD1 0.0234 0.0108 0.0623 5247 ASP 98 OD2 -0.0037 0.0259 0.0712 5248 GLN 99 N 0.0259 0.0010 0.0241 5249 GLN 99 CA 0.0296 -0.0041 0.0097 5250 GLN 99 C 0.0135 0.0004 -0.0047 5251 GLN 99 O 0.0147 -0.0042 -0.0221 5252 GLN 99 CB 0.0358 -0.0048 0.0194 5253 GLN 99 CG 0.0408 -0.0104 0.0056 5254 GLN 99 CD 0.0470 -0.0111 0.0158 5255 GLN 99 OE1 0.0471 -0.0071 0.0333 5256 GLN 99 NE2 0.0523 -0.0161 0.0048