1 VAL 1 N 0.0062 0.0092 0.0134 2 VAL 1 CA 0.0076 0.0084 0.0148 3 VAL 1 C 0.0065 0.0052 0.0134 4 VAL 1 O 0.0060 0.0022 0.0127 5 VAL 1 CB 0.0105 0.0066 0.0177 6 VAL 1 CG1 0.0123 0.0062 0.0196 7 VAL 1 CG2 0.0099 0.0090 0.0172 8 LEU 2 N 0.0073 0.0061 0.0143 9 LEU 2 CA 0.0066 0.0025 0.0134 10 LEU 2 C 0.0091 -0.0010 0.0159 11 LEU 2 O 0.0110 0.0011 0.0179 12 LEU 2 CB 0.0063 0.0048 0.0132 13 LEU 2 CG 0.0040 0.0064 0.0109 14 LEU 2 CD1 0.0015 0.0054 0.0082 15 LEU 2 CD2 0.0042 0.0097 0.0112 16 SER 3 N 0.0084 -0.0033 0.0150 17 SER 3 CA 0.0106 -0.0067 0.0171 18 SER 3 C 0.0109 -0.0069 0.0174 19 SER 3 O 0.0095 -0.0062 0.0159 20 SER 3 CB 0.0092 -0.0099 0.0154 21 SER 3 OG 0.0074 -0.0116 0.0135 22 PRO 4 N 0.0120 -0.0099 0.0259 23 PRO 4 CA 0.0124 -0.0086 0.0265 24 PRO 4 C 0.0109 -0.0112 0.0240 25 PRO 4 O 0.0097 -0.0098 0.0223 26 PRO 4 CB 0.0146 -0.0128 0.0297 27 PRO 4 CG 0.0159 -0.0120 0.0318 28 PRO 4 CD 0.0144 -0.0101 0.0297 29 ALA 5 N 0.0094 -0.0148 0.0215 30 ALA 5 CA 0.0079 -0.0168 0.0189 31 ALA 5 C 0.0053 -0.0136 0.0151 32 ALA 5 O 0.0040 -0.0135 0.0131 33 ALA 5 CB 0.0070 -0.0214 0.0171 34 ASP 6 N 0.0047 -0.0105 0.0144 35 ASP 6 CA 0.0028 -0.0066 0.0117 36 ASP 6 C 0.0033 -0.0042 0.0127 37 ASP 6 O 0.0013 -0.0032 0.0097 38 ASP 6 CB 0.0025 -0.0040 0.0114 39 ASP 6 CG 0.0014 -0.0065 0.0095 40 ASP 6 OD1 -0.0002 -0.0091 0.0068 41 ASP 6 OD2 0.0024 -0.0050 0.0111 42 LYS 7 N 0.0046 -0.0026 0.0122 43 LYS 7 CA 0.0053 -0.0016 0.0128 44 LYS 7 C 0.0052 -0.0028 0.0130 45 LYS 7 O 0.0048 -0.0020 0.0123 46 LYS 7 CB 0.0072 -0.0002 0.0144 47 LYS 7 CG 0.0073 0.0012 0.0142 48 LYS 7 CD 0.0094 0.0022 0.0163 49 LYS 7 CE 0.0093 0.0028 0.0160 50 LYS 7 NZ 0.0113 0.0037 0.0180 51 THR 8 N 0.0051 -0.0056 0.0137 52 THR 8 CA 0.0047 -0.0073 0.0137 53 THR 8 C 0.0032 -0.0074 0.0121 54 THR 8 O 0.0028 -0.0075 0.0116 55 THR 8 CB 0.0053 -0.0099 0.0151 56 THR 8 OG1 0.0069 -0.0094 0.0167 57 THR 8 CG2 0.0049 -0.0114 0.0150 58 ASN 9 N 0.0018 -0.0075 0.0105 59 ASN 9 CA 0.0001 -0.0076 0.0086 60 ASN 9 C -0.0003 -0.0054 0.0076 61 ASN 9 O -0.0014 -0.0056 0.0064 62 ASN 9 CB -0.0012 -0.0081 0.0073 63 ASN 9 CG -0.0012 -0.0106 0.0080 64 ASN 9 OD1 -0.0010 -0.0124 0.0088 65 ASN 9 ND2 -0.0020 -0.0111 0.0073 66 VAL 10 N -0.0021 -0.0029 0.0080 67 VAL 10 CA -0.0025 -0.0013 0.0075 68 VAL 10 C -0.0023 -0.0009 0.0079 69 VAL 10 O -0.0028 -0.0002 0.0071 70 VAL 10 CB -0.0022 -0.0002 0.0081 71 VAL 10 CG1 -0.0025 0.0015 0.0077 72 VAL 10 CG2 -0.0024 -0.0004 0.0077 73 LYS 11 N -0.0015 -0.0013 0.0093 74 LYS 11 CA -0.0012 -0.0007 0.0099 75 LYS 11 C -0.0016 -0.0018 0.0090 76 LYS 11 O -0.0020 -0.0012 0.0084 77 LYS 11 CB -0.0003 -0.0011 0.0113 78 LYS 11 CG 0.0001 -0.0001 0.0122 79 LYS 11 CD 0.0009 -0.0001 0.0135 80 LYS 11 CE 0.0013 0.0018 0.0144 81 LYS 11 NZ 0.0021 0.0013 0.0157 82 ALA 12 N -0.0019 -0.0032 0.0083 83 ALA 12 CA -0.0021 -0.0038 0.0079 84 ALA 12 C -0.0030 -0.0038 0.0064 85 ALA 12 O -0.0035 -0.0033 0.0055 86 ALA 12 CB -0.0022 -0.0057 0.0076 87 ALA 13 N -0.0063 -0.0017 0.0037 88 ALA 13 CA -0.0054 -0.0013 0.0020 89 ALA 13 C -0.0054 0.0007 0.0017 90 ALA 13 O -0.0048 0.0017 0.0005 91 ALA 13 CB -0.0048 -0.0031 0.0014 92 TRP 14 N -0.0062 0.0006 0.0030 93 TRP 14 CA -0.0062 0.0022 0.0028 94 TRP 14 C -0.0067 0.0042 0.0033 95 TRP 14 O -0.0064 0.0057 0.0025 96 TRP 14 CB -0.0070 0.0016 0.0043 97 TRP 14 CG -0.0067 0.0028 0.0035 98 TRP 14 CD1 -0.0075 0.0046 0.0045 99 TRP 14 CD2 -0.0059 0.0024 0.0023 100 TRP 14 NE1 -0.0069 0.0050 0.0034 101 TRP 14 CE2 -0.0061 0.0042 0.0024 102 TRP 14 CE3 -0.0050 0.0012 0.0010 103 TRP 14 CZ2 -0.0055 0.0042 0.0013 104 TRP 14 CZ3 -0.0044 0.0017 0.0000 105 TRP 14 CH2 -0.0048 0.0032 0.0003 106 GLY 15 N -0.0072 0.0038 0.0042 107 GLY 15 CA -0.0077 0.0056 0.0047 108 GLY 15 C -0.0066 0.0060 0.0028 109 GLY 15 O -0.0067 0.0083 0.0027 110 LYS 16 N -0.0070 0.0069 0.0014 111 LYS 16 CA -0.0059 0.0070 -0.0012 112 LYS 16 C -0.0056 0.0090 -0.0028 113 LYS 16 O -0.0051 0.0101 -0.0042 114 LYS 16 CB -0.0051 0.0048 -0.0026 115 LYS 16 CG -0.0043 0.0059 -0.0050 116 LYS 16 CD -0.0051 0.0065 -0.0033 117 LYS 16 CE -0.0039 0.0077 -0.0065 118 LYS 16 NZ -0.0029 0.0063 -0.0085 119 VAL 17 N -0.0057 0.0085 -0.0022 120 VAL 17 CA -0.0054 0.0093 -0.0034 121 VAL 17 C -0.0058 0.0129 -0.0036 122 VAL 17 O -0.0054 0.0134 -0.0047 123 VAL 17 CB -0.0052 0.0084 -0.0035 124 VAL 17 CG1 -0.0053 0.0103 -0.0039 125 VAL 17 CG2 -0.0046 0.0057 -0.0043 126 GLY 18 N -0.0068 0.0125 -0.0008 127 GLY 18 CA -0.0074 0.0149 -0.0000 128 GLY 18 C -0.0072 0.0170 -0.0012 129 GLY 18 O -0.0075 0.0162 -0.0004 130 ALA 19 N -0.0112 0.0203 -0.0033 131 ALA 19 CA -0.0120 0.0224 -0.0033 132 ALA 19 C -0.0089 0.0213 -0.0054 133 ALA 19 O -0.0085 0.0220 -0.0058 134 ALA 19 CB -0.0122 0.0262 -0.0045 135 HIS 20 N -0.0067 0.0190 -0.0062 136 HIS 20 CA -0.0039 0.0179 -0.0079 137 HIS 20 C -0.0046 0.0148 -0.0064 138 HIS 20 O -0.0023 0.0131 -0.0075 139 HIS 20 CB -0.0019 0.0168 -0.0090 140 HIS 20 CG -0.0007 0.0189 -0.0106 141 HIS 20 ND1 0.0002 0.0223 -0.0124 142 HIS 20 CD2 -0.0023 0.0206 -0.0100 143 HIS 20 CE1 0.0004 0.0236 -0.0130 144 HIS 20 NE2 -0.0004 0.0232 -0.0123 145 ALA 21 N -0.0069 0.0141 -0.0044 146 ALA 21 CA -0.0074 0.0106 -0.0029 147 ALA 21 C -0.0048 0.0102 -0.0046 148 ALA 21 O -0.0045 0.0076 -0.0040 149 ALA 21 CB -0.0100 0.0097 -0.0006 150 GLY 22 N -0.0051 0.0109 -0.0050 151 GLY 22 CA -0.0038 0.0106 -0.0058 152 GLY 22 C -0.0023 0.0104 -0.0066 153 GLY 22 O -0.0010 0.0097 -0.0074 154 GLU 23 N -0.0012 0.0119 -0.0073 155 GLU 23 CA 0.0006 0.0118 -0.0083 156 GLU 23 C 0.0010 0.0097 -0.0085 157 GLU 23 O 0.0024 0.0090 -0.0093 158 GLU 23 CB 0.0006 0.0137 -0.0084 159 GLU 23 CG 0.0025 0.0140 -0.0095 160 GLU 23 CD 0.0024 0.0165 -0.0095 161 GLU 23 OE1 0.0029 0.0150 -0.0097 162 GLU 23 OE2 0.0009 0.0175 -0.0086 163 TYR 24 N -0.0001 0.0093 -0.0078 164 TYR 24 CA 0.0002 0.0075 -0.0080 165 TYR 24 C -0.0000 0.0058 -0.0078 166 TYR 24 O 0.0010 0.0043 -0.0084 167 TYR 24 CB -0.0014 0.0071 -0.0071 168 TYR 24 CG -0.0010 0.0085 -0.0074 169 TYR 24 CD1 -0.0020 0.0085 -0.0068 170 TYR 24 CD2 0.0003 0.0099 -0.0081 171 TYR 24 CE1 -0.0016 0.0100 -0.0070 172 TYR 24 CE2 0.0006 0.0114 -0.0083 173 TYR 24 CZ -0.0006 0.0111 -0.0076 174 TYR 24 OH -0.0006 0.0127 -0.0077 175 GLY 25 N -0.0008 0.0048 -0.0060 176 GLY 25 CA -0.0009 0.0048 -0.0058 177 GLY 25 C -0.0009 0.0049 -0.0059 178 GLY 25 O -0.0008 0.0048 -0.0058 179 ALA 26 N -0.0010 0.0050 -0.0060 180 ALA 26 CA -0.0010 0.0050 -0.0061 181 ALA 26 C -0.0008 0.0049 -0.0062 182 ALA 26 O -0.0008 0.0049 -0.0062 183 ALA 26 CB -0.0011 0.0052 -0.0063 184 GLU 27 N -0.0007 0.0049 -0.0064 185 GLU 27 CA -0.0005 0.0048 -0.0065 186 GLU 27 C -0.0004 0.0046 -0.0063 187 GLU 27 O -0.0003 0.0046 -0.0063 188 GLU 27 CB -0.0004 0.0047 -0.0067 189 GLU 27 CG -0.0002 0.0046 -0.0068 190 GLU 27 CD -0.0001 0.0046 -0.0070 191 GLU 27 OE1 0.0001 0.0045 -0.0070 192 GLU 27 OE2 -0.0002 0.0047 -0.0071 193 ALA 28 N -0.0003 0.0037 -0.0043 194 ALA 28 CA -0.0004 0.0047 -0.0046 195 ALA 28 C -0.0006 0.0049 -0.0044 196 ALA 28 O -0.0008 0.0056 -0.0043 197 ALA 28 CB 0.0002 0.0050 -0.0055 198 LEU 29 N -0.0001 0.0041 -0.0047 199 LEU 29 CA -0.0003 0.0042 -0.0045 200 LEU 29 C -0.0010 0.0042 -0.0035 201 LEU 29 O -0.0013 0.0047 -0.0033 202 LEU 29 CB 0.0002 0.0031 -0.0049 203 LEU 29 CG 0.0008 0.0032 -0.0058 204 LEU 29 CD1 0.0011 0.0022 -0.0059 205 LEU 29 CD2 0.0009 0.0040 -0.0061 206 GLU 30 N -0.0012 0.0034 -0.0030 207 GLU 30 CA -0.0018 0.0035 -0.0021 208 GLU 30 C -0.0023 0.0045 -0.0018 209 GLU 30 O -0.0027 0.0048 -0.0012 210 GLU 30 CB -0.0019 0.0026 -0.0016 211 GLU 30 CG -0.0025 0.0028 -0.0008 212 GLU 30 CD -0.0027 0.0015 -0.0002 213 GLU 30 OE1 -0.0023 0.0011 -0.0006 214 GLU 30 OE2 -0.0031 0.0013 0.0005 215 ARG 31 N -0.0002 0.0019 -0.0021 216 ARG 31 CA 0.0002 0.0020 -0.0020 217 ARG 31 C 0.0003 0.0019 -0.0015 218 ARG 31 O 0.0005 0.0020 -0.0014 219 ARG 31 CB 0.0005 0.0020 -0.0022 220 ARG 31 CG 0.0005 0.0021 -0.0026 221 ARG 31 CD 0.0007 0.0021 -0.0028 222 ARG 31 NE 0.0008 0.0022 -0.0032 223 ARG 31 CZ 0.0010 0.0022 -0.0033 224 ARG 31 NH1 0.0012 0.0022 -0.0031 225 ARG 31 NH2 0.0010 0.0022 -0.0037 226 MET 32 N 0.0001 0.0019 -0.0014 227 MET 32 CA 0.0002 0.0019 -0.0011 228 MET 32 C -0.0000 0.0018 -0.0008 229 MET 32 O 0.0002 0.0018 -0.0005 230 MET 32 CB 0.0000 0.0019 -0.0010 231 MET 32 CG 0.0000 0.0018 -0.0006 232 MET 32 SD -0.0002 0.0018 -0.0005 233 MET 32 CE -0.0006 0.0017 -0.0006 234 PHE 33 N -0.0003 0.0018 -0.0009 235 PHE 33 CA -0.0005 0.0018 -0.0007 236 PHE 33 C -0.0004 0.0018 -0.0006 237 PHE 33 O -0.0003 0.0018 -0.0003 238 PHE 33 CB -0.0009 0.0017 -0.0008 239 PHE 33 CG -0.0011 0.0017 -0.0008 240 PHE 33 CD1 -0.0012 0.0017 -0.0005 241 PHE 33 CD2 -0.0014 0.0017 -0.0011 242 PHE 33 CE1 -0.0014 0.0016 -0.0005 243 PHE 33 CE2 -0.0016 0.0017 -0.0010 244 PHE 33 CZ -0.0016 0.0016 -0.0008 245 LEU 34 N -0.0012 0.0007 0.0020 246 LEU 34 CA -0.0007 0.0008 0.0021 247 LEU 34 C -0.0001 0.0009 0.0024 248 LEU 34 O 0.0003 0.0009 0.0028 249 LEU 34 CB -0.0006 0.0010 0.0015 250 LEU 34 CG -0.0010 0.0010 0.0012 251 LEU 34 CD1 -0.0010 0.0012 0.0004 252 LEU 34 CD2 -0.0014 0.0008 0.0016 253 SER 35 N 0.0002 0.0010 0.0022 254 SER 35 CA 0.0008 0.0011 0.0024 255 SER 35 C 0.0009 0.0009 0.0031 256 SER 35 O 0.0014 0.0010 0.0035 257 SER 35 CB 0.0011 0.0014 0.0020 258 SER 35 OG 0.0013 0.0016 0.0014 259 PHE 36 N 0.0003 0.0007 0.0032 260 PHE 36 CA 0.0002 0.0005 0.0039 261 PHE 36 C -0.0005 0.0002 0.0041 262 PHE 36 O -0.0010 0.0001 0.0041 263 PHE 36 CB 0.0002 0.0006 0.0037 264 PHE 36 CG 0.0007 0.0008 0.0033 265 PHE 36 CD1 0.0007 0.0010 0.0026 266 PHE 36 CD2 0.0014 0.0009 0.0037 267 PHE 36 CE1 0.0012 0.0013 0.0023 268 PHE 36 CE2 0.0020 0.0012 0.0033 269 PHE 36 CZ 0.0019 0.0014 0.0026 270 PRO 37 N 0.0030 -0.0040 0.0026 271 PRO 37 CA 0.0037 -0.0043 0.0024 272 PRO 37 C 0.0034 -0.0051 0.0021 273 PRO 37 O 0.0037 -0.0052 0.0020 274 PRO 37 CB 0.0048 -0.0044 0.0024 275 PRO 37 CG 0.0047 -0.0043 0.0024 276 PRO 37 CD 0.0035 -0.0040 0.0026 277 THR 38 N 0.0027 -0.0057 0.0018 278 THR 38 CA 0.0024 -0.0065 0.0015 279 THR 38 C 0.0019 -0.0062 0.0016 280 THR 38 O 0.0017 -0.0066 0.0014 281 THR 38 CB 0.0017 -0.0071 0.0012 282 THR 38 OG1 0.0010 -0.0067 0.0014 283 THR 38 CG2 0.0025 -0.0075 0.0010 284 THR 39 N 0.0014 -0.0053 0.0020 285 THR 39 CA 0.0008 -0.0050 0.0022 286 THR 39 C 0.0015 -0.0048 0.0023 287 THR 39 O 0.0011 -0.0048 0.0023 288 THR 39 CB 0.0002 -0.0043 0.0026 289 THR 39 OG1 0.0008 -0.0034 0.0030 290 THR 39 CG2 -0.0006 -0.0044 0.0025 291 LYS 40 N 0.0036 -0.0035 0.0026 292 LYS 40 CA 0.0044 -0.0026 0.0026 293 LYS 40 C 0.0050 -0.0021 0.0020 294 LYS 40 O 0.0057 -0.0014 0.0021 295 LYS 40 CB 0.0047 -0.0024 0.0017 296 LYS 40 CG 0.0044 -0.0027 0.0024 297 LYS 40 CD 0.0047 -0.0025 0.0017 298 LYS 40 CE 0.0043 -0.0029 0.0007 299 LYS 40 NZ 0.0046 -0.0027 0.0001 300 THR 41 N 0.0046 -0.0026 0.0014 301 THR 41 CA 0.0050 -0.0022 0.0009 302 THR 41 C 0.0054 -0.0017 0.0017 303 THR 41 O 0.0059 -0.0012 0.0015 304 THR 41 CB 0.0044 -0.0029 0.0001 305 THR 41 OG1 0.0038 -0.0035 0.0008 306 THR 41 CG2 0.0042 -0.0032 -0.0009 307 TYR 42 N 0.0051 -0.0019 0.0029 308 TYR 42 CA 0.0054 -0.0015 0.0037 309 TYR 42 C 0.0062 -0.0006 0.0043 310 TYR 42 O 0.0065 -0.0001 0.0050 311 TYR 42 CB 0.0048 -0.0020 0.0047 312 TYR 42 CG 0.0042 -0.0027 0.0042 313 TYR 42 CD1 0.0043 -0.0026 0.0042 314 TYR 42 CD2 0.0035 -0.0035 0.0038 315 TYR 42 CE1 0.0037 -0.0033 0.0036 316 TYR 42 CE2 0.0029 -0.0042 0.0034 317 TYR 42 CZ 0.0030 -0.0041 0.0033 318 TYR 42 OH 0.0024 -0.0047 0.0029 319 PHE 43 N 0.0056 0.0062 -0.0003 320 PHE 43 CA 0.0059 0.0073 -0.0002 321 PHE 43 C 0.0061 0.0084 -0.0017 322 PHE 43 O 0.0061 0.0087 -0.0022 323 PHE 43 CB 0.0057 0.0064 0.0002 324 PHE 43 CG 0.0057 0.0055 0.0019 325 PHE 43 CD1 0.0052 0.0039 0.0019 326 PHE 43 CD2 0.0060 0.0059 0.0034 327 PHE 43 CE1 0.0051 0.0031 0.0034 328 PHE 43 CE2 0.0059 0.0051 0.0050 329 PHE 43 CZ 0.0054 0.0035 0.0048 330 PRO 44 N 0.0062 0.0091 -0.0023 331 PRO 44 CA 0.0063 0.0099 -0.0039 332 PRO 44 C 0.0069 0.0119 -0.0034 333 PRO 44 O 0.0070 0.0126 -0.0044 334 PRO 44 CB 0.0064 0.0104 -0.0043 335 PRO 44 CG 0.0066 0.0105 -0.0027 336 PRO 44 CD 0.0063 0.0091 -0.0017 337 HIS 45 N 0.0072 0.0121 -0.0019 338 HIS 45 CA 0.0077 0.0136 -0.0013 339 HIS 45 C 0.0077 0.0135 -0.0009 340 HIS 45 O 0.0080 0.0145 -0.0003 341 HIS 45 CB 0.0080 0.0141 0.0002 342 HIS 45 CG 0.0079 0.0131 0.0018 343 HIS 45 ND1 0.0073 0.0115 0.0014 344 HIS 45 CD2 0.0080 0.0132 0.0033 345 HIS 45 CE1 0.0073 0.0107 0.0029 346 HIS 45 NE2 0.0078 0.0118 0.0041 347 PHE 46 N 0.0042 0.0071 -0.0032 348 PHE 46 CA 0.0041 0.0052 -0.0028 349 PHE 46 C 0.0020 0.0047 -0.0024 350 PHE 46 O 0.0005 0.0056 -0.0023 351 PHE 46 CB 0.0046 0.0049 -0.0028 352 PHE 46 CG 0.0065 0.0046 -0.0031 353 PHE 46 CD1 0.0072 0.0035 -0.0030 354 PHE 46 CD2 0.0078 0.0049 -0.0033 355 PHE 46 CE1 0.0091 0.0032 -0.0032 356 PHE 46 CE2 0.0100 0.0045 -0.0036 357 PHE 46 CZ 0.0109 0.0037 -0.0036 358 ASP 47 N 0.0021 0.0026 -0.0020 359 ASP 47 CA 0.0001 0.0018 -0.0015 360 ASP 47 C -0.0000 0.0011 -0.0014 361 ASP 47 O 0.0013 0.0000 -0.0014 362 ASP 47 CB 0.0004 -0.0002 -0.0012 363 ASP 47 CG -0.0018 -0.0011 -0.0007 364 ASP 47 OD1 -0.0031 -0.0007 -0.0005 365 ASP 47 OD2 -0.0013 -0.0028 -0.0004 366 LEU 48 N -0.0012 0.0020 -0.0014 367 LEU 48 CA -0.0015 0.0016 -0.0012 368 LEU 48 C -0.0033 0.0005 -0.0007 369 LEU 48 O -0.0033 0.0000 -0.0006 370 LEU 48 CB -0.0018 0.0037 -0.0016 371 LEU 48 CG 0.0000 0.0048 -0.0021 372 LEU 48 CD1 -0.0009 0.0069 -0.0024 373 LEU 48 CD2 0.0017 0.0043 -0.0023 374 SER 49 N -0.0070 -0.0011 0.0003 375 SER 49 CA -0.0091 -0.0033 0.0013 376 SER 49 C -0.0079 -0.0050 0.0021 377 SER 49 O -0.0054 -0.0056 0.0024 378 SER 49 CB -0.0097 -0.0030 0.0012 379 SER 49 OG -0.0080 -0.0040 0.0016 380 HIS 50 N -0.0102 -0.0068 0.0029 381 HIS 50 CA -0.0085 -0.0083 0.0036 382 HIS 50 C -0.0068 -0.0103 0.0045 383 HIS 50 O -0.0076 -0.0111 0.0049 384 HIS 50 CB -0.0117 -0.0105 0.0046 385 HIS 50 CG -0.0107 -0.0125 0.0055 386 HIS 50 ND1 -0.0104 -0.0126 0.0056 387 HIS 50 CD2 -0.0124 -0.0150 0.0067 388 HIS 50 CE1 -0.0096 -0.0150 0.0067 389 HIS 50 NE2 -0.0106 -0.0164 0.0073 390 GLY 51 N -0.0051 -0.0110 0.0049 391 GLY 51 CA -0.0028 -0.0125 0.0056 392 GLY 51 C -0.0006 -0.0114 0.0051 393 GLY 51 O 0.0006 -0.0128 0.0057 394 SER 52 N -0.0008 -0.0078 0.0053 395 SER 52 CA 0.0019 -0.0084 0.0037 396 SER 52 C 0.0041 -0.0091 0.0025 397 SER 52 O 0.0053 -0.0082 0.0012 398 SER 52 CB 0.0010 -0.0057 0.0031 399 SER 52 OG 0.0024 -0.0037 0.0013 400 ALA 53 N 0.0061 -0.0111 0.0019 401 ALA 53 CA 0.0087 -0.0118 0.0003 402 ALA 53 C 0.0104 -0.0092 -0.0019 403 ALA 53 O 0.0121 -0.0091 -0.0032 404 ALA 53 CB 0.0106 -0.0140 -0.0000 405 GLN 54 N 0.0092 -0.0066 -0.0022 406 GLN 54 CA 0.0106 -0.0042 -0.0042 407 GLN 54 C 0.0098 -0.0024 -0.0045 408 GLN 54 O 0.0118 -0.0013 -0.0063 409 GLN 54 CB 0.0091 -0.0019 -0.0042 410 GLN 54 CG 0.0105 -0.0030 -0.0047 411 GLN 54 CD 0.0088 -0.0016 -0.0041 412 GLN 54 OE1 0.0065 -0.0019 -0.0024 413 GLN 54 NE2 0.0102 -0.0011 -0.0053 414 VAL 55 N 0.0060 -0.0017 -0.0042 415 VAL 55 CA 0.0046 0.0000 -0.0044 416 VAL 55 C 0.0053 -0.0008 -0.0043 417 VAL 55 O 0.0057 0.0001 -0.0056 418 VAL 55 CB 0.0021 0.0009 -0.0023 419 VAL 55 CG1 0.0007 0.0023 -0.0021 420 VAL 55 CG2 0.0014 0.0024 -0.0030 421 LYS 56 N 0.0058 -0.0032 -0.0026 422 LYS 56 CA 0.0069 -0.0044 -0.0026 423 LYS 56 C 0.0085 -0.0040 -0.0048 424 LYS 56 O 0.0093 -0.0040 -0.0057 425 LYS 56 CB 0.0069 -0.0069 -0.0003 426 LYS 56 CG 0.0046 -0.0064 0.0018 427 LYS 56 CD 0.0057 -0.0099 0.0039 428 LYS 56 CE 0.0031 -0.0099 0.0069 429 LYS 56 NZ 0.0042 -0.0127 0.0083 430 GLY 57 N 0.0104 -0.0052 -0.0058 431 GLY 57 CA 0.0125 -0.0052 -0.0081 432 GLY 57 C 0.0122 -0.0026 -0.0104 433 GLY 57 O 0.0133 -0.0027 -0.0115 434 HIS 58 N 0.0078 0.0032 -0.0106 435 HIS 58 CA 0.0067 0.0034 -0.0118 436 HIS 58 C 0.0053 0.0043 -0.0113 437 HIS 58 O 0.0046 0.0044 -0.0121 438 HIS 58 CB 0.0069 0.0031 -0.0122 439 HIS 58 CG 0.0060 0.0031 -0.0137 440 HIS 58 ND1 0.0060 0.0028 -0.0148 441 HIS 58 CD2 0.0051 0.0035 -0.0140 442 HIS 58 CE1 0.0049 0.0031 -0.0155 443 HIS 58 NE2 0.0046 0.0034 -0.0152 444 GLY 59 N 0.0054 0.0046 -0.0102 445 GLY 59 CA 0.0042 0.0054 -0.0096 446 GLY 59 C 0.0038 0.0057 -0.0095 447 GLY 59 O 0.0028 0.0061 -0.0099 448 LYS 60 N 0.0048 0.0053 -0.0091 449 LYS 60 CA 0.0045 0.0054 -0.0092 450 LYS 60 C 0.0041 0.0052 -0.0103 451 LYS 60 O 0.0034 0.0055 -0.0106 452 LYS 60 CB 0.0058 0.0050 -0.0083 453 LYS 60 CG 0.0057 0.0051 -0.0083 454 LYS 60 CD 0.0068 0.0048 -0.0075 455 LYS 60 CE 0.0065 0.0049 -0.0075 456 LYS 60 NZ 0.0087 0.0042 -0.0061 457 LYS 61 N 0.0074 0.0043 -0.0087 458 LYS 61 CA 0.0069 0.0041 -0.0109 459 LYS 61 C 0.0038 0.0044 -0.0125 460 LYS 61 O 0.0030 0.0045 -0.0128 461 LYS 61 CB 0.0087 0.0036 -0.0137 462 LYS 61 CG 0.0120 0.0031 -0.0134 463 LYS 61 CD 0.0138 0.0026 -0.0156 464 LYS 61 CE 0.0155 0.0024 -0.0155 465 LYS 61 NZ 0.0179 0.0018 -0.0178 466 VAL 62 N 0.0029 0.0045 -0.0121 467 VAL 62 CA -0.0002 0.0049 -0.0132 468 VAL 62 C -0.0025 0.0054 -0.0110 469 VAL 62 O -0.0037 0.0055 -0.0122 470 VAL 62 CB -0.0010 0.0050 -0.0133 471 VAL 62 CG1 -0.0040 0.0053 -0.0142 472 VAL 62 CG2 0.0003 0.0045 -0.0160 473 ALA 63 N -0.0014 0.0055 -0.0086 474 ALA 63 CA -0.0031 0.0060 -0.0065 475 ALA 63 C -0.0025 0.0060 -0.0060 476 ALA 63 O -0.0045 0.0062 -0.0061 477 ALA 63 CB -0.0026 0.0062 -0.0037 478 ASP 64 N -0.0006 0.0057 -0.0044 479 ASP 64 CA -0.0001 0.0058 -0.0034 480 ASP 64 C -0.0000 0.0058 -0.0031 481 ASP 64 O 0.0000 0.0053 -0.0023 482 ASP 64 CB 0.0006 0.0069 -0.0034 483 ASP 64 CG 0.0010 0.0071 -0.0028 484 ASP 64 OD1 0.0003 0.0061 -0.0029 485 ASP 64 OD2 0.0015 0.0081 -0.0031 486 ALA 65 N -0.0002 0.0062 -0.0042 487 ALA 65 CA -0.0004 0.0058 -0.0041 488 ALA 65 C -0.0011 0.0046 -0.0039 489 ALA 65 O -0.0009 0.0045 -0.0032 490 ALA 65 CB -0.0005 0.0064 -0.0052 491 LEU 66 N -0.0016 0.0042 -0.0043 492 LEU 66 CA -0.0022 0.0031 -0.0040 493 LEU 66 C -0.0019 0.0027 -0.0028 494 LEU 66 O -0.0021 0.0020 -0.0022 495 LEU 66 CB -0.0028 0.0026 -0.0048 496 LEU 66 CG -0.0033 0.0027 -0.0061 497 LEU 66 CD1 -0.0038 0.0024 -0.0068 498 LEU 66 CD2 -0.0035 0.0024 -0.0062 499 THR 67 N 0.0013 0.0009 -0.0003 500 THR 67 CA 0.0023 -0.0002 0.0004 501 THR 67 C 0.0040 0.0003 0.0008 502 THR 67 O 0.0047 -0.0003 0.0013 503 THR 67 CB 0.0023 -0.0010 0.0007 504 THR 67 OG1 0.0012 -0.0015 0.0006 505 THR 67 CG2 0.0037 -0.0017 0.0015 506 ASN 68 N 0.0044 0.0016 0.0004 507 ASN 68 CA 0.0059 0.0023 0.0006 508 ASN 68 C 0.0058 0.0026 0.0005 509 ASN 68 O 0.0069 0.0024 0.0010 510 ASN 68 CB 0.0062 0.0038 0.0002 511 ASN 68 CG 0.0077 0.0047 0.0003 512 ASN 68 OD1 0.0087 0.0041 0.0009 513 ASN 68 ND2 0.0079 0.0062 -0.0001 514 ALA 69 N 0.0045 0.0030 -0.0001 515 ALA 69 CA 0.0046 0.0034 -0.0002 516 ALA 69 C 0.0045 0.0019 0.0003 517 ALA 69 O 0.0050 0.0019 0.0005 518 ALA 69 CB 0.0032 0.0039 -0.0009 519 VAL 70 N 0.0032 0.0004 0.0032 520 VAL 70 CA 0.0018 -0.0010 0.0052 521 VAL 70 C 0.0048 -0.0021 0.0059 522 VAL 70 O 0.0043 -0.0020 0.0059 523 VAL 70 CB 0.0003 -0.0027 0.0074 524 VAL 70 CG1 -0.0012 -0.0047 0.0100 525 VAL 70 CG2 -0.0031 -0.0017 0.0069 526 ALA 71 N 0.0080 -0.0027 0.0060 527 ALA 71 CA 0.0114 -0.0036 0.0064 528 ALA 71 C 0.0117 -0.0020 0.0044 529 ALA 71 O 0.0134 -0.0027 0.0050 530 ALA 71 CB 0.0137 -0.0043 0.0068 531 HIS 72 N 0.0114 0.0003 0.0018 532 HIS 72 CA 0.0125 0.0019 -0.0003 533 HIS 72 C 0.0100 0.0036 -0.0019 534 HIS 72 O 0.0098 0.0058 -0.0044 535 HIS 72 CB 0.0153 0.0036 -0.0028 536 HIS 72 CG 0.0171 0.0016 -0.0008 537 HIS 72 ND1 0.0217 0.0009 -0.0009 538 HIS 72 CD2 0.0192 0.0004 0.0002 539 HIS 72 CE1 0.0229 -0.0014 0.0016 540 HIS 72 NE2 0.0228 -0.0014 0.0016 541 VAL 73 N 0.0104 -0.0005 0.0051 542 VAL 73 CA 0.0058 0.0013 0.0032 543 VAL 73 C 0.0054 0.0027 -0.0001 544 VAL 73 O 0.0040 0.0043 -0.0037 545 VAL 73 CB 0.0025 0.0010 0.0066 546 VAL 73 CG1 0.0016 0.0002 0.0094 547 VAL 73 CG2 -0.0007 0.0019 0.0064 548 ASP 74 N 0.0070 0.0022 0.0001 549 ASP 74 CA 0.0064 0.0037 -0.0038 550 ASP 74 C 0.0101 0.0041 -0.0076 551 ASP 74 O 0.0093 0.0055 -0.0108 552 ASP 74 CB 0.0080 0.0028 -0.0026 553 ASP 74 CG 0.0036 0.0025 0.0015 554 ASP 74 OD1 0.0010 0.0032 0.0015 555 ASP 74 OD2 0.0050 0.0005 0.0062 556 ASP 75 N 0.0128 0.0036 -0.0081 557 ASP 75 CA 0.0157 0.0044 -0.0124 558 ASP 75 C 0.0175 0.0036 -0.0115 559 ASP 75 O 0.0217 0.0029 -0.0128 560 ASP 75 CB 0.0216 0.0021 -0.0105 561 ASP 75 CG 0.0213 0.0029 -0.0124 562 ASP 75 OD1 0.0234 0.0043 -0.0178 563 ASP 75 OD2 0.0281 0.0013 -0.0129 564 MET 76 N 0.0139 0.0057 -0.0154 565 MET 76 CA 0.0111 0.0036 -0.0115 566 MET 76 C 0.0117 0.0059 -0.0131 567 MET 76 O 0.0120 0.0024 -0.0119 568 MET 76 CB 0.0063 0.0078 -0.0082 569 MET 76 CG 0.0052 0.0045 -0.0056 570 MET 76 SD -0.0013 0.0068 0.0002 571 MET 76 CE -0.0029 0.0111 0.0001 572 PRO 77 N 0.0129 0.0103 -0.0162 573 PRO 77 CA 0.0150 0.0107 -0.0186 574 PRO 77 C 0.0177 0.0065 -0.0196 575 PRO 77 O 0.0175 0.0051 -0.0189 576 PRO 77 CB 0.0163 0.0172 -0.0227 577 PRO 77 CG 0.0132 0.0193 -0.0203 578 PRO 77 CD 0.0125 0.0154 -0.0179 579 ASN 78 N 0.0215 0.0037 -0.0225 580 ASN 78 CA 0.0250 -0.0003 -0.0245 581 ASN 78 C 0.0235 -0.0058 -0.0206 582 ASN 78 O 0.0237 -0.0093 -0.0193 583 ASN 78 CB 0.0296 -0.0027 -0.0283 584 ASN 78 CG 0.0315 -0.0006 -0.0311 585 ASN 78 OD1 0.0317 0.0069 -0.0345 586 ASN 78 ND2 0.0329 0.0012 -0.0333 587 ALA 79 N 0.0118 -0.0038 -0.0169 588 ALA 79 CA 0.0096 -0.0072 -0.0161 589 ALA 79 C 0.0063 -0.0080 -0.0123 590 ALA 79 O 0.0047 -0.0113 -0.0121 591 ALA 79 CB 0.0100 -0.0071 -0.0166 592 LEU 80 N 0.0061 -0.0049 -0.0102 593 LEU 80 CA 0.0032 -0.0044 -0.0062 594 LEU 80 C 0.0030 -0.0041 -0.0056 595 LEU 80 O 0.0011 -0.0029 -0.0025 596 LEU 80 CB 0.0027 -0.0015 -0.0038 597 LEU 80 CG 0.0028 -0.0025 -0.0044 598 LEU 80 CD1 0.0025 0.0006 -0.0022 599 LEU 80 CD2 0.0001 -0.0067 -0.0034 600 SER 81 N 0.0050 -0.0040 -0.0082 601 SER 81 CA 0.0048 -0.0021 -0.0068 602 SER 81 C 0.0022 -0.0046 -0.0049 603 SER 81 O 0.0009 -0.0027 -0.0021 604 SER 81 CB 0.0073 -0.0042 -0.0114 605 SER 81 OG 0.0075 -0.0015 -0.0100 606 ALA 82 N -0.0069 -0.0058 -0.0044 607 ALA 82 CA -0.0087 -0.0072 -0.0035 608 ALA 82 C -0.0091 -0.0064 -0.0013 609 ALA 82 O -0.0103 -0.0066 0.0006 610 ALA 82 CB -0.0100 -0.0092 -0.0048 611 LEU 83 N -0.0085 -0.0060 -0.0017 612 LEU 83 CA -0.0092 -0.0056 0.0005 613 LEU 83 C -0.0081 -0.0037 0.0019 614 LEU 83 O -0.0089 -0.0033 0.0041 615 LEU 83 CB -0.0084 -0.0053 -0.0005 616 LEU 83 CG -0.0093 -0.0060 -0.0002 617 LEU 83 CD1 -0.0112 -0.0081 -0.0003 618 LEU 83 CD2 -0.0090 -0.0068 -0.0023 619 SER 84 N -0.0065 -0.0023 0.0014 620 SER 84 CA -0.0059 -0.0007 0.0031 621 SER 84 C -0.0069 -0.0009 0.0047 622 SER 84 O -0.0069 0.0000 0.0066 623 SER 84 CB -0.0036 0.0012 0.0023 624 SER 84 OG -0.0033 0.0004 0.0003 625 ASP 85 N -0.0098 -0.0026 0.0054 626 ASP 85 CA -0.0112 -0.0022 0.0073 627 ASP 85 C -0.0126 -0.0022 0.0073 628 ASP 85 O -0.0129 -0.0019 0.0085 629 ASP 85 CB -0.0124 -0.0022 0.0069 630 ASP 85 CG -0.0109 -0.0022 0.0075 631 ASP 85 OD1 -0.0103 -0.0020 0.0084 632 ASP 85 OD2 -0.0119 -0.0023 0.0068 633 LEU 86 N -0.0133 -0.0025 0.0055 634 LEU 86 CA -0.0147 -0.0025 0.0053 635 LEU 86 C -0.0139 -0.0024 0.0061 636 LEU 86 O -0.0148 -0.0021 0.0070 637 LEU 86 CB -0.0154 -0.0029 0.0031 638 LEU 86 CG -0.0165 -0.0029 0.0028 639 LEU 86 CD1 -0.0186 -0.0028 0.0033 640 LEU 86 CD2 -0.0171 -0.0034 0.0006 641 HIS 87 N -0.0119 -0.0026 0.0054 642 HIS 87 CA -0.0114 -0.0025 0.0059 643 HIS 87 C -0.0106 -0.0020 0.0083 644 HIS 87 O -0.0109 -0.0018 0.0091 645 HIS 87 CB -0.0093 -0.0028 0.0049 646 HIS 87 CG -0.0101 -0.0032 0.0029 647 HIS 87 ND1 -0.0105 -0.0035 0.0014 648 HIS 87 CD2 -0.0103 -0.0033 0.0020 649 HIS 87 CE1 -0.0111 -0.0037 -0.0001 650 HIS 87 NE2 -0.0109 -0.0037 0.0002 651 ALA 88 N -0.0091 -0.0022 0.0058 652 ALA 88 CA -0.0084 -0.0028 0.0084 653 ALA 88 C -0.0106 -0.0033 0.0102 654 ALA 88 O -0.0099 -0.0036 0.0120 655 ALA 88 CB -0.0077 -0.0029 0.0089 656 HIS 89 N -0.0128 -0.0031 0.0093 657 HIS 89 CA -0.0147 -0.0035 0.0109 658 HIS 89 C -0.0162 -0.0036 0.0109 659 HIS 89 O -0.0172 -0.0040 0.0127 660 HIS 89 CB -0.0165 -0.0036 0.0109 661 HIS 89 CG -0.0154 -0.0037 0.0116 662 HIS 89 ND1 -0.0138 -0.0041 0.0135 663 HIS 89 CD2 -0.0152 -0.0034 0.0103 664 HIS 89 CE1 -0.0123 -0.0041 0.0137 665 HIS 89 NE2 -0.0137 -0.0037 0.0118 666 LYS 90 N -0.0162 -0.0031 0.0090 667 LYS 90 CA -0.0171 -0.0030 0.0085 668 LYS 90 C -0.0159 -0.0029 0.0081 669 LYS 90 O -0.0156 -0.0032 0.0094 670 LYS 90 CB -0.0192 -0.0026 0.0062 671 LYS 90 CG -0.0214 -0.0029 0.0072 672 LYS 90 CD -0.0226 -0.0033 0.0090 673 LYS 90 CE -0.0254 -0.0031 0.0079 674 LYS 90 NZ -0.0257 -0.0042 0.0125 675 LEU 91 N -0.0111 -0.0042 0.0044 676 LEU 91 CA -0.0100 -0.0038 0.0043 677 LEU 91 C -0.0090 -0.0044 0.0048 678 LEU 91 O -0.0082 -0.0046 0.0050 679 LEU 91 CB -0.0097 -0.0025 0.0036 680 LEU 91 CG -0.0105 -0.0018 0.0032 681 LEU 91 CD1 -0.0105 -0.0009 0.0026 682 LEU 91 CD2 -0.0104 -0.0019 0.0032 683 ARG 92 N -0.0093 -0.0046 0.0048 684 ARG 92 CA -0.0086 -0.0053 0.0053 685 ARG 92 C -0.0074 -0.0050 0.0053 686 ARG 92 O -0.0065 -0.0056 0.0057 687 ARG 92 CB -0.0089 -0.0065 0.0059 688 ARG 92 CG -0.0100 -0.0069 0.0061 689 ARG 92 CD -0.0106 -0.0077 0.0065 690 ARG 92 NE -0.0106 -0.0080 0.0066 691 ARG 92 CZ -0.0113 -0.0090 0.0071 692 ARG 92 NH1 -0.0109 -0.0083 0.0067 693 ARG 92 NH2 -0.0113 -0.0096 0.0074 694 VAL 93 N -0.0071 -0.0041 0.0048 695 VAL 93 CA -0.0060 -0.0036 0.0046 696 VAL 93 C -0.0055 -0.0039 0.0048 697 VAL 93 O -0.0061 -0.0039 0.0048 698 VAL 93 CB -0.0060 -0.0024 0.0040 699 VAL 93 CG1 -0.0048 -0.0020 0.0038 700 VAL 93 CG2 -0.0065 -0.0020 0.0037 701 ASP 94 N -0.0020 -0.0019 0.0040 702 ASP 94 CA -0.0020 -0.0028 0.0041 703 ASP 94 C -0.0024 -0.0017 0.0040 704 ASP 94 O -0.0019 -0.0008 0.0038 705 ASP 94 CB -0.0007 -0.0032 0.0040 706 ASP 94 CG -0.0008 -0.0042 0.0041 707 ASP 94 OD1 -0.0009 -0.0054 0.0043 708 ASP 94 OD2 -0.0007 -0.0038 0.0040 709 PRO 95 N -0.0030 -0.0022 0.0041 710 PRO 95 CA -0.0036 -0.0013 0.0041 711 PRO 95 C -0.0025 -0.0009 0.0039 712 PRO 95 O -0.0027 0.0002 0.0037 713 PRO 95 CB -0.0042 -0.0022 0.0043 714 PRO 95 CG -0.0049 -0.0030 0.0045 715 PRO 95 CD -0.0039 -0.0033 0.0044 716 VAL 96 N -0.0013 -0.0014 0.0038 717 VAL 96 CA -0.0003 -0.0008 0.0036 718 VAL 96 C 0.0000 0.0004 0.0034 719 VAL 96 O 0.0005 0.0013 0.0032 720 VAL 96 CB 0.0009 -0.0019 0.0036 721 VAL 96 CG1 0.0016 -0.0019 0.0035 722 VAL 96 CG2 0.0014 -0.0016 0.0035 723 ASN 97 N 0.0001 0.0001 0.0032 724 ASN 97 CA 0.0006 0.0016 0.0025 725 ASN 97 C -0.0005 0.0029 0.0025 726 ASN 97 O 0.0002 0.0041 0.0019 727 ASN 97 CB 0.0004 0.0021 0.0024 728 ASN 97 CG 0.0015 0.0010 0.0023 729 ASN 97 OD1 0.0027 0.0012 0.0018 730 ASN 97 ND2 0.0008 -0.0002 0.0030 731 PHE 98 N -0.0016 0.0026 0.0031 732 PHE 98 CA -0.0026 0.0036 0.0032 733 PHE 98 C -0.0017 0.0039 0.0027 734 PHE 98 O -0.0018 0.0053 0.0023 735 PHE 98 CB -0.0042 0.0033 0.0039 736 PHE 98 CG -0.0051 0.0032 0.0043 737 PHE 98 CD1 -0.0060 0.0045 0.0043 738 PHE 98 CD2 -0.0050 0.0020 0.0046 739 PHE 98 CE1 -0.0069 0.0046 0.0046 740 PHE 98 CE2 -0.0059 0.0022 0.0049 741 PHE 98 CZ -0.0067 0.0035 0.0049 742 LYS 99 N -0.0008 0.0028 0.0027 743 LYS 99 CA 0.0003 0.0031 0.0022 744 LYS 99 C 0.0014 0.0038 0.0015 745 LYS 99 O 0.0016 0.0049 0.0011 746 LYS 99 CB 0.0008 0.0014 0.0025 747 LYS 99 CG 0.0000 0.0004 0.0031 748 LYS 99 CD 0.0001 -0.0004 0.0034 749 LYS 99 CE 0.0012 -0.0023 0.0035 750 LYS 99 NZ 0.0002 -0.0039 0.0044 751 LEU 100 N -0.0000 0.0026 -0.0008 752 LEU 100 CA 0.0004 0.0029 -0.0010 753 LEU 100 C -0.0001 0.0035 -0.0017 754 LEU 100 O 0.0003 0.0041 -0.0022 755 LEU 100 CB 0.0006 0.0024 -0.0004 756 LEU 100 CG 0.0010 0.0017 0.0003 757 LEU 100 CD1 0.0012 0.0012 0.0009 758 LEU 100 CD2 0.0021 0.0021 0.0002 759 LEU 101 N -0.0011 0.0033 -0.0018 760 LEU 101 CA -0.0017 0.0039 -0.0025 761 LEU 101 C -0.0017 0.0045 -0.0031 762 LEU 101 O -0.0015 0.0052 -0.0037 763 LEU 101 CB -0.0027 0.0035 -0.0024 764 LEU 101 CG -0.0034 0.0041 -0.0031 765 LEU 101 CD1 -0.0031 0.0045 -0.0035 766 LEU 101 CD2 -0.0045 0.0036 -0.0030 767 SER 102 N -0.0016 0.0044 -0.0030 768 SER 102 CA -0.0015 0.0049 -0.0035 769 SER 102 C -0.0005 0.0055 -0.0038 770 SER 102 O -0.0005 0.0062 -0.0045 771 SER 102 CB -0.0015 0.0046 -0.0031 772 SER 102 OG -0.0024 0.0042 -0.0030 773 HIS 103 N -0.0007 0.0021 -0.0025 774 HIS 103 CA 0.0000 0.0022 -0.0028 775 HIS 103 C -0.0002 0.0026 -0.0036 776 HIS 103 O 0.0001 0.0029 -0.0043 777 HIS 103 CB 0.0007 0.0019 -0.0023 778 HIS 103 CG 0.0014 0.0021 -0.0027 779 HIS 103 ND1 0.0015 0.0021 -0.0027 780 HIS 103 CD2 0.0021 0.0022 -0.0031 781 HIS 103 CE1 0.0022 0.0023 -0.0032 782 HIS 103 NE2 0.0026 0.0024 -0.0035 783 CYS 104 N -0.0009 0.0025 -0.0034 784 CYS 104 CA -0.0012 0.0029 -0.0041 785 CYS 104 C -0.0017 0.0032 -0.0047 786 CYS 104 O -0.0016 0.0035 -0.0054 787 CYS 104 CB -0.0017 0.0027 -0.0037 788 CYS 104 SG -0.0011 0.0024 -0.0031 789 LEU 105 N -0.0021 0.0031 -0.0045 790 LEU 105 CA -0.0025 0.0035 -0.0052 791 LEU 105 C -0.0018 0.0037 -0.0057 792 LEU 105 O -0.0019 0.0040 -0.0064 793 LEU 105 CB -0.0032 0.0033 -0.0047 794 LEU 105 CG -0.0041 0.0033 -0.0047 795 LEU 105 CD1 -0.0045 0.0030 -0.0041 796 LEU 105 CD2 -0.0045 0.0036 -0.0052 797 LEU 106 N -0.0023 0.0015 -0.0050 798 LEU 106 CA -0.0019 0.0014 -0.0052 799 LEU 106 C -0.0014 0.0015 -0.0057 800 LEU 106 O -0.0014 0.0019 -0.0062 801 LEU 106 CB -0.0016 0.0007 -0.0048 802 LEU 106 CG -0.0016 0.0004 -0.0045 803 LEU 106 CD1 -0.0013 -0.0002 -0.0042 804 LEU 106 CD2 -0.0021 0.0007 -0.0044 805 VAL 107 N -0.0012 0.0015 -0.0060 806 VAL 107 CA -0.0008 0.0017 -0.0065 807 VAL 107 C -0.0011 0.0024 -0.0069 808 VAL 107 O -0.0008 0.0026 -0.0074 809 VAL 107 CB -0.0005 0.0016 -0.0066 810 VAL 107 CG1 -0.0002 0.0019 -0.0072 811 VAL 107 CG2 -0.0000 0.0009 -0.0064 812 THR 108 N -0.0016 0.0026 -0.0067 813 THR 108 CA -0.0020 0.0033 -0.0070 814 THR 108 C -0.0020 0.0035 -0.0071 815 THR 108 O -0.0020 0.0039 -0.0076 816 THR 108 CB -0.0026 0.0035 -0.0067 817 THR 108 OG1 -0.0024 0.0033 -0.0067 818 THR 108 CG2 -0.0028 0.0041 -0.0070 819 LEU 109 N -0.0026 0.0016 -0.0074 820 LEU 109 CA -0.0025 0.0014 -0.0071 821 LEU 109 C -0.0019 0.0006 -0.0079 822 LEU 109 O -0.0019 0.0008 -0.0083 823 LEU 109 CB -0.0025 0.0010 -0.0061 824 LEU 109 CG -0.0030 0.0018 -0.0052 825 LEU 109 CD1 -0.0030 0.0014 -0.0042 826 LEU 109 CD2 -0.0034 0.0026 -0.0054 827 ALA 110 N -0.0016 0.0000 -0.0081 828 ALA 110 CA -0.0011 -0.0007 -0.0088 829 ALA 110 C -0.0011 -0.0004 -0.0098 830 ALA 110 O -0.0009 -0.0005 -0.0104 831 ALA 110 CB -0.0007 -0.0014 -0.0089 832 ALA 111 N -0.0014 0.0004 -0.0104 833 ALA 111 CA -0.0015 0.0009 -0.0113 834 ALA 111 C -0.0018 0.0014 -0.0114 835 ALA 111 O -0.0018 0.0017 -0.0123 836 ALA 111 CB -0.0017 0.0014 -0.0118 837 HIS 112 N -0.0013 0.0023 -0.0127 838 HIS 112 CA -0.0017 0.0036 -0.0122 839 HIS 112 C -0.0021 0.0030 -0.0110 840 HIS 112 O -0.0023 0.0042 -0.0109 841 HIS 112 CB -0.0021 0.0050 -0.0114 842 HIS 112 CG -0.0017 0.0057 -0.0125 843 HIS 112 ND1 -0.0017 0.0071 -0.0130 844 HIS 112 CD2 -0.0015 0.0057 -0.0129 845 HIS 112 CE1 -0.0012 0.0076 -0.0140 846 HIS 112 NE2 -0.0011 0.0067 -0.0141 847 LEU 113 N -0.0022 0.0016 -0.0104 848 LEU 113 CA -0.0027 0.0013 -0.0092 849 LEU 113 C -0.0023 -0.0001 -0.0098 850 LEU 113 O -0.0026 -0.0013 -0.0090 851 LEU 113 CB -0.0032 0.0006 -0.0080 852 LEU 113 CG -0.0038 0.0019 -0.0070 853 LEU 113 CD1 -0.0045 0.0015 -0.0053 854 LEU 113 CD2 -0.0039 0.0036 -0.0070 855 PRO 114 N -0.0018 -0.0001 -0.0109 856 PRO 114 CA -0.0014 -0.0016 -0.0116 857 PRO 114 C -0.0019 -0.0022 -0.0103 858 PRO 114 O -0.0019 -0.0035 -0.0100 859 PRO 114 CB -0.0010 -0.0006 -0.0126 860 PRO 114 CG -0.0012 0.0011 -0.0125 861 PRO 114 CD -0.0017 0.0013 -0.0116 862 ALA 115 N -0.0036 -0.0029 -0.0101 863 ALA 115 CA -0.0030 -0.0040 -0.0093 864 ALA 115 C -0.0028 -0.0044 -0.0076 865 ALA 115 O -0.0024 -0.0054 -0.0070 866 ALA 115 CB -0.0034 -0.0033 -0.0093 867 GLU 116 N -0.0033 -0.0033 -0.0069 868 GLU 116 CA -0.0032 -0.0034 -0.0051 869 GLU 116 C -0.0030 -0.0039 -0.0047 870 GLU 116 O -0.0028 -0.0043 -0.0033 871 GLU 116 CB -0.0040 -0.0017 -0.0044 872 GLU 116 CG -0.0043 -0.0011 -0.0042 873 GLU 116 CD -0.0045 -0.0006 -0.0059 874 GLU 116 OE1 -0.0047 -0.0003 -0.0072 875 GLU 116 OE2 -0.0048 0.0000 -0.0061 876 PHE 117 N -0.0030 -0.0039 -0.0058 877 PHE 117 CA -0.0028 -0.0043 -0.0057 878 PHE 117 C -0.0020 -0.0061 -0.0057 879 PHE 117 O -0.0019 -0.0065 -0.0066 880 PHE 117 CB -0.0032 -0.0035 -0.0067 881 PHE 117 CG -0.0033 -0.0033 -0.0063 882 PHE 117 CD1 -0.0037 -0.0024 -0.0050 883 PHE 117 CD2 -0.0029 -0.0043 -0.0071 884 PHE 117 CE1 -0.0037 -0.0024 -0.0047 885 PHE 117 CE2 -0.0028 -0.0043 -0.0064 886 PHE 117 CZ -0.0033 -0.0033 -0.0053 887 THR 118 N -0.0036 -0.0091 -0.0036 888 THR 118 CA -0.0033 -0.0097 -0.0036 889 THR 118 C -0.0032 -0.0094 -0.0033 890 THR 118 O -0.0033 -0.0089 -0.0029 891 THR 118 CB -0.0028 -0.0100 -0.0031 892 THR 118 OG1 -0.0026 -0.0097 -0.0025 893 THR 118 CG2 -0.0029 -0.0104 -0.0035 894 PRO 119 N -0.0029 -0.0099 -0.0032 895 PRO 119 CA -0.0028 -0.0098 -0.0029 896 PRO 119 C -0.0026 -0.0094 -0.0022 897 PRO 119 O -0.0026 -0.0089 -0.0019 898 PRO 119 CB -0.0026 -0.0105 -0.0030 899 PRO 119 CG -0.0028 -0.0108 -0.0037 900 PRO 119 CD -0.0029 -0.0107 -0.0037 901 ALA 120 N -0.0022 -0.0097 -0.0018 902 ALA 120 CA -0.0019 -0.0095 -0.0012 903 ALA 120 C -0.0022 -0.0087 -0.0010 904 ALA 120 O -0.0021 -0.0082 -0.0005 905 ALA 120 CB -0.0015 -0.0100 -0.0007 906 VAL 121 N -0.0031 -0.0078 -0.0003 907 VAL 121 CA -0.0031 -0.0068 -0.0003 908 VAL 121 C -0.0036 -0.0059 -0.0008 909 VAL 121 O -0.0034 -0.0051 -0.0005 910 VAL 121 CB -0.0033 -0.0070 -0.0005 911 VAL 121 CG1 -0.0034 -0.0059 -0.0006 912 VAL 121 CG2 -0.0028 -0.0076 0.0001 913 HIS 122 N -0.0041 -0.0062 -0.0015 914 HIS 122 CA -0.0046 -0.0055 -0.0021 915 HIS 122 C -0.0041 -0.0050 -0.0014 916 HIS 122 O -0.0042 -0.0041 -0.0015 917 HIS 122 CB -0.0051 -0.0062 -0.0028 918 HIS 122 CG -0.0055 -0.0056 -0.0034 919 HIS 122 ND1 -0.0061 -0.0062 -0.0042 920 HIS 122 CD2 -0.0056 -0.0047 -0.0034 921 HIS 122 CE1 -0.0065 -0.0054 -0.0046 922 HIS 122 NE2 -0.0062 -0.0045 -0.0042 923 ALA 123 N -0.0038 -0.0057 -0.0011 924 ALA 123 CA -0.0035 -0.0054 -0.0006 925 ALA 123 C -0.0030 -0.0046 0.0001 926 ALA 123 O -0.0029 -0.0038 0.0003 927 ALA 123 CB -0.0032 -0.0063 -0.0003 928 SER 124 N -0.0033 -0.0054 0.0023 929 SER 124 CA -0.0026 -0.0043 0.0035 930 SER 124 C -0.0032 -0.0024 0.0030 931 SER 124 O -0.0028 -0.0011 0.0039 932 SER 124 CB -0.0020 -0.0050 0.0043 933 SER 124 OG -0.0013 -0.0067 0.0049 934 LEU 125 N -0.0041 -0.0025 0.0017 935 LEU 125 CA -0.0046 -0.0007 0.0013 936 LEU 125 C -0.0050 0.0003 0.0010 937 LEU 125 O -0.0051 0.0020 0.0012 938 LEU 125 CB -0.0055 -0.0010 -0.0000 939 LEU 125 CG -0.0054 -0.0015 0.0000 940 LEU 125 CD1 -0.0062 -0.0022 -0.0014 941 LEU 125 CD2 -0.0050 -0.0001 0.0009 942 ASP 126 N -0.0054 -0.0003 0.0003 943 ASP 126 CA -0.0057 0.0005 -0.0001 944 ASP 126 C -0.0050 0.0014 0.0013 945 ASP 126 O -0.0050 0.0029 0.0016 946 ASP 126 CB -0.0062 -0.0006 -0.0010 947 ASP 126 CG -0.0068 0.0002 -0.0017 948 ASP 126 OD1 -0.0074 0.0017 -0.0023 949 ASP 126 OD2 -0.0065 0.0001 -0.0013 950 LYS 127 N -0.0035 0.0019 0.0017 951 LYS 127 CA -0.0027 0.0024 0.0027 952 LYS 127 C -0.0024 0.0034 0.0030 953 LYS 127 O -0.0021 0.0045 0.0035 954 LYS 127 CB -0.0021 0.0012 0.0032 955 LYS 127 CG -0.0016 0.0014 0.0037 956 LYS 127 CD -0.0012 -0.0003 0.0040 957 LYS 127 CE -0.0003 0.0002 0.0050 958 LYS 127 NZ 0.0004 -0.0009 0.0057 959 PHE 128 N -0.0024 0.0031 0.0031 960 PHE 128 CA -0.0021 0.0040 0.0035 961 PHE 128 C -0.0027 0.0052 0.0030 962 PHE 128 O -0.0023 0.0063 0.0035 963 PHE 128 CB -0.0021 0.0033 0.0034 964 PHE 128 CG -0.0020 0.0043 0.0036 965 PHE 128 CD1 -0.0011 0.0047 0.0047 966 PHE 128 CD2 -0.0026 0.0046 0.0030 967 PHE 128 CE1 -0.0011 0.0056 0.0048 968 PHE 128 CE2 -0.0027 0.0053 0.0030 969 PHE 128 CZ -0.0018 0.0057 0.0040 970 LEU 129 N -0.0036 0.0051 0.0020 971 LEU 129 CA -0.0041 0.0064 0.0015 972 LEU 129 C -0.0041 0.0072 0.0016 973 LEU 129 O -0.0041 0.0084 0.0017 974 LEU 129 CB -0.0051 0.0061 0.0004 975 LEU 129 CG -0.0054 0.0054 0.0000 976 LEU 129 CD1 -0.0062 0.0050 -0.0009 977 LEU 129 CD2 -0.0052 0.0067 0.0004 978 ALA 130 N -0.0038 0.0095 0.0029 979 ALA 130 CA -0.0036 0.0112 0.0029 980 ALA 130 C -0.0022 0.0116 0.0026 981 ALA 130 O -0.0019 0.0127 0.0026 982 ALA 130 CB -0.0035 0.0119 0.0029 983 SER 131 N -0.0009 0.0106 0.0022 984 SER 131 CA 0.0004 0.0109 0.0019 985 SER 131 C 0.0002 0.0105 0.0019 986 SER 131 O 0.0010 0.0115 0.0018 987 SER 131 CB 0.0017 0.0098 0.0015 988 SER 131 OG 0.0019 0.0103 0.0015 989 VAL 132 N -0.0005 0.0093 0.0020 990 VAL 132 CA -0.0007 0.0090 0.0020 991 VAL 132 C -0.0016 0.0103 0.0023 992 VAL 132 O -0.0010 0.0109 0.0022 993 VAL 132 CB -0.0015 0.0076 0.0021 994 VAL 132 CG1 -0.0021 0.0072 0.0023 995 VAL 132 CG2 -0.0007 0.0061 0.0018 996 SER 133 N -0.0026 0.0083 0.0021 997 SER 133 CA -0.0036 0.0094 0.0038 998 SER 133 C -0.0024 0.0111 0.0034 999 SER 133 O -0.0031 0.0109 0.0041 1000 SER 133 CB -0.0043 0.0104 0.0052 1001 SER 133 OG -0.0055 0.0090 0.0057 1002 THR 134 N -0.0008 0.0122 0.0024 1003 THR 134 CA 0.0001 0.0136 0.0022 1004 THR 134 C 0.0005 0.0125 0.0011 1005 THR 134 O 0.0006 0.0131 0.0013 1006 THR 134 CB 0.0016 0.0149 0.0012 1007 THR 134 OG1 0.0016 0.0163 0.0021 1008 THR 134 CG2 0.0032 0.0164 0.0004 1009 VAL 135 N 0.0009 0.0107 -0.0004 1010 VAL 135 CA 0.0013 0.0095 -0.0016 1011 VAL 135 C -0.0004 0.0083 -0.0004 1012 VAL 135 O -0.0002 0.0085 -0.0005 1013 VAL 135 CB 0.0019 0.0076 -0.0033 1014 VAL 135 CG1 0.0018 0.0059 -0.0042 1015 VAL 135 CG2 0.0036 0.0086 -0.0045 1016 LEU 136 N -0.0034 0.0028 0.0022 1017 LEU 136 CA -0.0042 0.0018 0.0031 1018 LEU 136 C -0.0042 0.0016 0.0046 1019 LEU 136 O -0.0050 0.0006 0.0053 1020 LEU 136 CB -0.0043 0.0017 0.0033 1021 LEU 136 CG -0.0049 0.0013 0.0021 1022 LEU 136 CD1 -0.0046 0.0015 0.0025 1023 LEU 136 CD2 -0.0057 0.0007 0.0011 1024 THR 137 N -0.0033 0.0024 0.0050 1025 THR 137 CA -0.0031 0.0024 0.0066 1026 THR 137 C -0.0031 0.0025 0.0062 1027 THR 137 O -0.0029 0.0024 0.0073 1028 THR 137 CB -0.0017 0.0037 0.0073 1029 THR 137 OG1 -0.0023 0.0030 0.0079 1030 THR 137 CG2 -0.0013 0.0042 0.0065 1031 SER 138 N -0.0032 0.0025 0.0050 1032 SER 138 CA -0.0031 0.0027 0.0044 1033 SER 138 C -0.0038 0.0019 0.0050 1034 SER 138 O -0.0034 0.0023 0.0054 1035 SER 138 CB -0.0037 0.0026 0.0022 1036 SER 138 OG -0.0027 0.0035 0.0028 1037 LYS 139 N -0.0049 -0.0021 0.0076 1038 LYS 139 CA -0.0046 -0.0018 0.0075 1039 LYS 139 C -0.0047 -0.0016 0.0072 1040 LYS 139 O -0.0045 -0.0014 0.0070 1041 LYS 139 CB -0.0042 -0.0018 0.0076 1042 LYS 139 CG -0.0041 -0.0020 0.0079 1043 LYS 139 CD -0.0038 -0.0021 0.0081 1044 LYS 139 CE -0.0036 -0.0022 0.0084 1045 LYS 139 NZ -0.0033 -0.0023 0.0086 1046 TYR 140 N -0.0050 -0.0017 0.0071 1047 TYR 140 CA -0.0052 -0.0015 0.0068 1048 TYR 140 C -0.0052 -0.0013 0.0065 1049 TYR 140 O -0.0051 -0.0010 0.0063 1050 TYR 140 CB -0.0056 -0.0016 0.0067 1051 TYR 140 CG -0.0056 -0.0018 0.0069 1052 TYR 140 CD1 -0.0059 -0.0018 0.0067 1053 TYR 140 CD2 -0.0054 -0.0019 0.0072 1054 TYR 140 CE1 -0.0059 -0.0019 0.0069 1055 TYR 140 CE2 -0.0055 -0.0021 0.0073 1056 TYR 140 CZ -0.0058 -0.0021 0.0072 1057 TYR 140 OH -0.0058 -0.0022 0.0073 1058 ARG 141 N -0.0052 -0.0012 0.0065 1059 ARG 141 CA -0.0052 -0.0010 0.0062 1060 ARG 141 C -0.0050 -0.0010 0.0063 1061 ARG 141 O -0.0051 -0.0013 0.0066 1062 ARG 141 CB -0.0054 -0.0009 0.0060 1063 ARG 141 CG -0.0058 -0.0012 0.0061 1064 ARG 141 CD -0.0061 -0.0010 0.0057 1065 ARG 141 NE -0.0064 -0.0012 0.0059 1066 ARG 141 CZ -0.0067 -0.0012 0.0056 1067 ARG 141 NH1 -0.0068 -0.0010 0.0053 1068 ARG 141 NH2 -0.0070 -0.0014 0.0058 1069 ARG 141 OXT -0.0049 -0.0008 0.0061 1070 VAL 1 N 0.0097 -0.0043 0.0270 1071 VAL 1 CA 0.0071 -0.0047 0.0278 1072 VAL 1 C 0.0054 -0.0044 0.0268 1073 VAL 1 O 0.0074 -0.0046 0.0277 1074 VAL 1 CB 0.0057 -0.0043 0.0264 1075 VAL 1 CG1 0.0046 -0.0051 0.0291 1076 VAL 1 CG2 0.0062 -0.0037 0.0246 1077 HIS 2 N 0.0044 -0.0046 0.0274 1078 HIS 2 CA 0.0033 -0.0043 0.0262 1079 HIS 2 C 0.0012 -0.0038 0.0242 1080 HIS 2 O -0.0008 -0.0039 0.0243 1081 HIS 2 CB 0.0005 -0.0049 0.0279 1082 HIS 2 CG -0.0006 -0.0050 0.0278 1083 HIS 2 ND1 -0.0033 -0.0049 0.0271 1084 HIS 2 CD2 -0.0002 -0.0048 0.0273 1085 HIS 2 CE1 -0.0043 -0.0046 0.0261 1086 HIS 2 NE2 -0.0029 -0.0044 0.0254 1087 LEU 3 N 0.0021 -0.0034 0.0228 1088 LEU 3 CA 0.0005 -0.0029 0.0209 1089 LEU 3 C 0.0003 -0.0026 0.0198 1090 LEU 3 O 0.0015 -0.0027 0.0205 1091 LEU 3 CB 0.0026 -0.0023 0.0192 1092 LEU 3 CG 0.0031 -0.0024 0.0196 1093 LEU 3 CD1 0.0045 -0.0019 0.0181 1094 LEU 3 CD2 0.0012 -0.0021 0.0185 1095 THR 4 N -0.0048 0.0068 0.0160 1096 THR 4 CA -0.0025 0.0123 0.0041 1097 THR 4 C 0.0006 0.0101 -0.0021 1098 THR 4 O 0.0005 0.0064 0.0018 1099 THR 4 CB -0.0083 0.0234 0.0087 1100 THR 4 OG1 -0.0111 0.0277 0.0120 1101 THR 4 CG2 -0.0128 0.0280 0.0163 1102 PRO 5 N 0.0025 0.0156 -0.0128 1103 PRO 5 CA 0.0059 0.0139 -0.0204 1104 PRO 5 C 0.0030 0.0173 -0.0160 1105 PRO 5 O 0.0055 0.0125 -0.0179 1106 PRO 5 CB 0.0089 0.0172 -0.0320 1107 PRO 5 CG 0.0076 0.0191 -0.0304 1108 PRO 5 CD 0.0044 0.0182 -0.0207 1109 GLU 6 N -0.0020 0.0266 -0.0116 1110 GLU 6 CA -0.0048 0.0328 -0.0102 1111 GLU 6 C -0.0062 0.0252 0.0014 1112 GLU 6 O -0.0067 0.0257 0.0020 1113 GLU 6 CB -0.0110 0.0441 -0.0047 1114 GLU 6 CG -0.0137 0.0475 -0.0008 1115 GLU 6 CD -0.0110 0.0484 -0.0088 1116 GLU 6 OE1 -0.0059 0.0469 -0.0214 1117 GLU 6 OE2 -0.0097 0.0439 -0.0080 1118 GLU 7 N -0.0071 0.0103 0.0068 1119 GLU 7 CA -0.0064 0.0079 0.0113 1120 GLU 7 C -0.0031 0.0046 0.0088 1121 GLU 7 O -0.0026 0.0036 0.0098 1122 GLU 7 CB -0.0070 0.0078 0.0140 1123 GLU 7 CG -0.0106 0.0113 0.0171 1124 GLU 7 CD -0.0106 0.0100 0.0211 1125 GLU 7 OE1 -0.0127 0.0116 0.0243 1126 GLU 7 OE2 -0.0093 0.0082 0.0215 1127 LYS 8 N -0.0013 0.0027 0.0074 1128 LYS 8 CA 0.0015 -0.0003 0.0059 1129 LYS 8 C 0.0018 0.0004 0.0026 1130 LYS 8 O 0.0038 -0.0019 0.0020 1131 LYS 8 CB 0.0032 -0.0017 0.0038 1132 LYS 8 CG 0.0048 -0.0032 0.0021 1133 LYS 8 CD 0.0079 -0.0061 -0.0011 1134 LYS 8 CE 0.0104 -0.0085 -0.0036 1135 LYS 8 NZ 0.0127 -0.0093 -0.0095 1136 SER 9 N 0.0008 0.0029 -0.0009 1137 SER 9 CA 0.0010 0.0035 -0.0036 1138 SER 9 C -0.0000 0.0043 -0.0023 1139 SER 9 O 0.0014 0.0030 -0.0036 1140 SER 9 CB 0.0003 0.0061 -0.0088 1141 SER 9 OG -0.0023 0.0087 -0.0070 1142 ALA 10 N -0.0001 0.0029 0.0022 1143 ALA 10 CA -0.0007 0.0034 0.0029 1144 ALA 10 C 0.0010 0.0010 0.0048 1145 ALA 10 O 0.0013 0.0007 0.0045 1146 ALA 10 CB -0.0025 0.0045 0.0053 1147 VAL 11 N 0.0020 -0.0006 0.0064 1148 VAL 11 CA 0.0036 -0.0028 0.0078 1149 VAL 11 C 0.0053 -0.0039 0.0054 1150 VAL 11 O 0.0060 -0.0047 0.0059 1151 VAL 11 CB 0.0040 -0.0038 0.0094 1152 VAL 11 CG1 0.0060 -0.0063 0.0104 1153 VAL 11 CG2 0.0024 -0.0030 0.0123 1154 THR 12 N 0.0060 -0.0040 0.0035 1155 THR 12 CA 0.0079 -0.0053 0.0011 1156 THR 12 C 0.0077 -0.0045 -0.0006 1157 THR 12 O 0.0087 -0.0054 -0.0013 1158 THR 12 CB 0.0087 -0.0053 -0.0012 1159 THR 12 OG1 0.0091 -0.0064 0.0006 1160 THR 12 CG2 0.0084 -0.0047 -0.0022 1161 ALA 13 N 0.0090 -0.0031 -0.0031 1162 ALA 13 CA 0.0084 -0.0016 -0.0041 1163 ALA 13 C 0.0074 -0.0010 -0.0040 1164 ALA 13 O 0.0077 -0.0005 -0.0046 1165 ALA 13 CB 0.0072 -0.0002 -0.0045 1166 LEU 14 N 0.0056 -0.0016 -0.0026 1167 LEU 14 CA 0.0048 -0.0015 -0.0022 1168 LEU 14 C 0.0060 -0.0024 -0.0021 1169 LEU 14 O 0.0057 -0.0021 -0.0022 1170 LEU 14 CB 0.0029 -0.0021 -0.0007 1171 LEU 14 CG 0.0014 -0.0015 -0.0003 1172 LEU 14 CD1 0.0008 0.0000 -0.0013 1173 LEU 14 CD2 0.0003 -0.0028 0.0013 1174 TRP 15 N 0.0071 -0.0041 -0.0013 1175 TRP 15 CA 0.0082 -0.0051 -0.0011 1176 TRP 15 C 0.0096 -0.0043 -0.0025 1177 TRP 15 O 0.0100 -0.0048 -0.0023 1178 TRP 15 CB 0.0091 -0.0067 -0.0002 1179 TRP 15 CG 0.0099 -0.0081 0.0005 1180 TRP 15 CD1 0.0115 -0.0087 0.0001 1181 TRP 15 CD2 0.0087 -0.0088 0.0017 1182 TRP 15 NE1 0.0117 -0.0099 0.0010 1183 TRP 15 CE2 0.0098 -0.0099 0.0021 1184 TRP 15 CE3 0.0067 -0.0086 0.0026 1185 TRP 15 CZ2 0.0090 -0.0109 0.0033 1186 TRP 15 CZ3 0.0060 -0.0096 0.0038 1187 TRP 15 CH2 0.0072 -0.0107 0.0041 1188 GLY 16 N 0.0129 -0.0017 -0.0042 1189 GLY 16 CA 0.0148 0.0005 -0.0055 1190 GLY 16 C 0.0133 0.0023 -0.0068 1191 GLY 16 O 0.0147 0.0040 -0.0078 1192 LYS 17 N 0.0108 0.0022 -0.0071 1193 LYS 17 CA 0.0092 0.0038 -0.0084 1194 LYS 17 C 0.0083 0.0033 -0.0082 1195 LYS 17 O 0.0070 0.0049 -0.0094 1196 LYS 17 CB 0.0065 0.0041 -0.0089 1197 LYS 17 CG 0.0075 0.0045 -0.0091 1198 LYS 17 CD 0.0055 0.0050 -0.0097 1199 LYS 17 CE 0.0061 0.0052 -0.0097 1200 LYS 17 NZ 0.0033 0.0062 -0.0107 1201 VAL 18 N 0.0088 0.0017 -0.0070 1202 VAL 18 CA 0.0077 0.0009 -0.0066 1203 VAL 18 C 0.0095 0.0019 -0.0071 1204 VAL 18 O 0.0120 0.0018 -0.0067 1205 VAL 18 CB 0.0080 -0.0016 -0.0048 1206 VAL 18 CG1 0.0074 -0.0023 -0.0045 1207 VAL 18 CG2 0.0051 -0.0023 -0.0047 1208 ASN 19 N 0.0055 0.0016 -0.0037 1209 ASN 19 CA 0.0062 0.0036 -0.0038 1210 ASN 19 C 0.0054 0.0016 -0.0038 1211 ASN 19 O 0.0030 0.0009 -0.0049 1212 ASN 19 CB 0.0043 0.0060 -0.0055 1213 ASN 19 CG 0.0044 0.0074 -0.0058 1214 ASN 19 OD1 0.0054 0.0071 -0.0052 1215 ASN 19 ND2 0.0039 0.0103 -0.0069 1216 VAL 20 N 0.0073 0.0010 -0.0025 1217 VAL 20 CA 0.0070 -0.0014 -0.0021 1218 VAL 20 C 0.0056 -0.0005 -0.0031 1219 VAL 20 O 0.0035 -0.0020 -0.0039 1220 VAL 20 CB 0.0097 -0.0020 -0.0003 1221 VAL 20 CG1 0.0092 -0.0042 -0.0001 1222 VAL 20 CG2 0.0109 -0.0035 0.0007 1223 ASP 21 N 0.0053 0.0020 -0.0039 1224 ASP 21 CA 0.0039 0.0030 -0.0050 1225 ASP 21 C 0.0014 0.0032 -0.0065 1226 ASP 21 O -0.0004 0.0019 -0.0071 1227 ASP 21 CB 0.0051 0.0060 -0.0051 1228 ASP 21 CG 0.0081 0.0065 -0.0035 1229 ASP 21 OD1 0.0082 0.0042 -0.0028 1230 ASP 21 OD2 0.0081 0.0094 -0.0043 1231 GLU 22 N 0.0029 0.0026 -0.0060 1232 GLU 22 CA 0.0008 0.0029 -0.0069 1233 GLU 22 C -0.0004 0.0009 -0.0064 1234 GLU 22 O -0.0016 0.0005 -0.0067 1235 GLU 22 CB 0.0009 0.0040 -0.0074 1236 GLU 22 CG -0.0008 0.0040 -0.0080 1237 GLU 22 CD -0.0024 0.0045 -0.0089 1238 GLU 22 OE1 -0.0008 0.0043 -0.0082 1239 GLU 22 OE2 -0.0005 0.0069 -0.0093 1240 VAL 23 N 0.0004 0.0001 -0.0057 1241 VAL 23 CA -0.0006 -0.0017 -0.0053 1242 VAL 23 C -0.0005 -0.0030 -0.0046 1243 VAL 23 O -0.0020 -0.0042 -0.0046 1244 VAL 23 CB 0.0003 -0.0025 -0.0046 1245 VAL 23 CG1 -0.0004 -0.0043 -0.0040 1246 VAL 23 CG2 -0.0003 -0.0011 -0.0055 1247 GLY 24 N 0.0009 -0.0028 -0.0042 1248 GLY 24 CA 0.0009 -0.0038 -0.0037 1249 GLY 24 C -0.0004 -0.0037 -0.0043 1250 GLY 24 O -0.0015 -0.0048 -0.0041 1251 GLY 25 N -0.0023 -0.0024 -0.0025 1252 GLY 25 CA -0.0023 -0.0022 -0.0030 1253 GLY 25 C -0.0026 -0.0026 -0.0033 1254 GLY 25 O -0.0026 -0.0026 -0.0035 1255 GLU 26 N -0.0028 -0.0029 -0.0033 1256 GLU 26 CA -0.0031 -0.0032 -0.0036 1257 GLU 26 C -0.0032 -0.0035 -0.0033 1258 GLU 26 O -0.0034 -0.0036 -0.0037 1259 GLU 26 CB -0.0033 -0.0035 -0.0037 1260 GLU 26 CG -0.0036 -0.0037 -0.0042 1261 GLU 26 CD -0.0038 -0.0039 -0.0046 1262 GLU 26 OE1 -0.0042 -0.0046 -0.0042 1263 GLU 26 OE2 -0.0036 -0.0038 -0.0041 1264 ALA 27 N -0.0032 -0.0036 -0.0029 1265 ALA 27 CA -0.0033 -0.0039 -0.0027 1266 ALA 27 C -0.0032 -0.0037 -0.0027 1267 ALA 27 O -0.0033 -0.0038 -0.0027 1268 ALA 27 CB -0.0033 -0.0040 -0.0021 1269 LEU 28 N -0.0059 -0.0035 -0.0030 1270 LEU 28 CA -0.0057 -0.0032 -0.0030 1271 LEU 28 C -0.0052 -0.0033 -0.0031 1272 LEU 28 O -0.0049 -0.0030 -0.0031 1273 LEU 28 CB -0.0059 -0.0030 -0.0029 1274 LEU 28 CG -0.0056 -0.0025 -0.0030 1275 LEU 28 CD1 -0.0058 -0.0022 -0.0029 1276 LEU 28 CD2 -0.0058 -0.0026 -0.0029 1277 GLY 29 N -0.0051 -0.0037 -0.0032 1278 GLY 29 CA -0.0046 -0.0038 -0.0033 1279 GLY 29 C -0.0044 -0.0038 -0.0033 1280 GLY 29 O -0.0040 -0.0036 -0.0034 1281 ARG 30 N -0.0046 -0.0039 -0.0033 1282 ARG 30 CA -0.0044 -0.0039 -0.0033 1283 ARG 30 C -0.0044 -0.0033 -0.0033 1284 ARG 30 O -0.0040 -0.0033 -0.0033 1285 ARG 30 CB -0.0047 -0.0042 -0.0033 1286 ARG 30 CG -0.0045 -0.0047 -0.0034 1287 ARG 30 CD -0.0048 -0.0049 -0.0033 1288 ARG 30 NE -0.0048 -0.0054 -0.0034 1289 ARG 30 CZ -0.0046 -0.0057 -0.0034 1290 ARG 30 NH1 -0.0044 -0.0055 -0.0035 1291 ARG 30 NH2 -0.0046 -0.0061 -0.0035 1292 LEU 31 N -0.0040 -0.0012 -0.0004 1293 LEU 31 CA -0.0040 -0.0010 -0.0008 1294 LEU 31 C -0.0040 -0.0007 -0.0014 1295 LEU 31 O -0.0038 -0.0007 -0.0019 1296 LEU 31 CB -0.0043 -0.0007 -0.0006 1297 LEU 31 CG -0.0044 -0.0003 -0.0011 1298 LEU 31 CD1 -0.0040 -0.0008 -0.0012 1299 LEU 31 CD2 -0.0049 0.0001 -0.0008 1300 LEU 32 N -0.0043 -0.0004 -0.0013 1301 LEU 32 CA -0.0044 0.0000 -0.0018 1302 LEU 32 C -0.0040 -0.0002 -0.0022 1303 LEU 32 O -0.0039 -0.0000 -0.0027 1304 LEU 32 CB -0.0048 0.0005 -0.0016 1305 LEU 32 CG -0.0052 0.0009 -0.0014 1306 LEU 32 CD1 -0.0052 0.0009 -0.0014 1307 LEU 32 CD2 -0.0056 0.0012 -0.0011 1308 VAL 33 N -0.0038 -0.0007 -0.0019 1309 VAL 33 CA -0.0034 -0.0010 -0.0021 1310 VAL 33 C -0.0030 -0.0013 -0.0026 1311 VAL 33 O -0.0027 -0.0014 -0.0031 1312 VAL 33 CB -0.0033 -0.0014 -0.0017 1313 VAL 33 CG1 -0.0029 -0.0018 -0.0020 1314 VAL 33 CG2 -0.0037 -0.0011 -0.0015 1315 VAL 34 N -0.0040 -0.0005 -0.0002 1316 VAL 34 CA -0.0038 -0.0003 -0.0002 1317 VAL 34 C -0.0037 0.0005 -0.0003 1318 VAL 34 O -0.0032 0.0006 -0.0004 1319 VAL 34 CB -0.0043 -0.0005 -0.0001 1320 VAL 34 CG1 -0.0041 -0.0003 -0.0002 1321 VAL 34 CG2 -0.0044 -0.0012 -0.0001 1322 TYR 35 N -0.0041 0.0008 -0.0003 1323 TYR 35 CA -0.0040 0.0016 -0.0003 1324 TYR 35 C -0.0039 0.0018 -0.0004 1325 TYR 35 O -0.0044 0.0020 -0.0003 1326 TYR 35 CB -0.0047 0.0019 -0.0003 1327 TYR 35 CG -0.0048 0.0016 -0.0002 1328 TYR 35 CD1 -0.0044 0.0018 -0.0003 1329 TYR 35 CD2 -0.0053 0.0012 -0.0001 1330 TYR 35 CE1 -0.0046 0.0015 -0.0002 1331 TYR 35 CE2 -0.0054 0.0009 -0.0001 1332 TYR 35 CZ -0.0051 0.0011 -0.0001 1333 TYR 35 OH -0.0052 0.0008 -0.0001 1334 PRO 36 N -0.0033 0.0017 -0.0005 1335 PRO 36 CA -0.0032 0.0017 -0.0005 1336 PRO 36 C -0.0033 0.0024 -0.0005 1337 PRO 36 O -0.0034 0.0025 -0.0005 1338 PRO 36 CB -0.0025 0.0016 -0.0006 1339 PRO 36 CG -0.0022 0.0014 -0.0006 1340 PRO 36 CD -0.0027 0.0015 -0.0005 1341 TRP 37 N -0.0042 0.0054 0.0000 1342 TRP 37 CA -0.0041 0.0058 0.0003 1343 TRP 37 C -0.0041 0.0060 0.0007 1344 TRP 37 O -0.0040 0.0064 0.0010 1345 TRP 37 CB -0.0043 0.0055 0.0004 1346 TRP 37 CG -0.0045 0.0051 0.0007 1347 TRP 37 CD1 -0.0046 0.0051 0.0012 1348 TRP 37 CD2 -0.0047 0.0046 0.0004 1349 TRP 37 NE1 -0.0048 0.0046 0.0012 1350 TRP 37 CE2 -0.0049 0.0043 0.0009 1351 TRP 37 CE3 -0.0047 0.0044 -0.0001 1352 TRP 37 CZ2 -0.0051 0.0039 0.0008 1353 TRP 37 CZ3 -0.0049 0.0040 -0.0001 1354 TRP 37 CH2 -0.0051 0.0037 0.0003 1355 THR 38 N -0.0042 0.0058 0.0009 1356 THR 38 CA -0.0042 0.0059 0.0013 1357 THR 38 C -0.0040 0.0064 0.0012 1358 THR 38 O -0.0039 0.0066 0.0015 1359 THR 38 CB -0.0044 0.0056 0.0015 1360 THR 38 OG1 -0.0044 0.0055 0.0011 1361 THR 38 CG2 -0.0046 0.0052 0.0016 1362 GLN 39 N -0.0039 0.0065 0.0007 1363 GLN 39 CA -0.0036 0.0069 0.0005 1364 GLN 39 C -0.0035 0.0073 0.0007 1365 GLN 39 O -0.0033 0.0077 0.0007 1366 GLN 39 CB -0.0035 0.0068 -0.0001 1367 GLN 39 CG -0.0037 0.0065 -0.0002 1368 GLN 39 CD -0.0036 0.0064 -0.0008 1369 GLN 39 OE1 -0.0034 0.0068 -0.0010 1370 GLN 39 NE2 -0.0038 0.0060 -0.0010 1371 ARG 40 N -0.0045 0.0081 0.0013 1372 ARG 40 CA -0.0046 0.0077 0.0013 1373 ARG 40 C -0.0045 0.0074 0.0009 1374 ARG 40 O -0.0046 0.0070 0.0009 1375 ARG 40 CB -0.0045 0.0078 0.0012 1376 ARG 40 CG -0.0044 0.0079 0.0008 1377 ARG 40 CD -0.0044 0.0081 0.0008 1378 ARG 40 NE -0.0045 0.0078 0.0009 1379 ARG 40 CZ -0.0044 0.0075 0.0007 1380 ARG 40 NH1 -0.0043 0.0075 0.0003 1381 ARG 40 NH2 -0.0046 0.0073 0.0010 1382 PHE 41 N -0.0044 0.0075 0.0006 1383 PHE 41 CA -0.0043 0.0073 0.0002 1384 PHE 41 C -0.0044 0.0071 0.0003 1385 PHE 41 O -0.0043 0.0068 0.0000 1386 PHE 41 CB -0.0042 0.0076 -0.0001 1387 PHE 41 CG -0.0041 0.0077 -0.0002 1388 PHE 41 CD1 -0.0041 0.0082 -0.0001 1389 PHE 41 CD2 -0.0041 0.0074 -0.0004 1390 PHE 41 CE1 -0.0040 0.0083 -0.0002 1391 PHE 41 CE2 -0.0041 0.0077 -0.0005 1392 PHE 41 CZ -0.0040 0.0081 -0.0003 1393 PHE 42 N -0.0045 0.0072 0.0006 1394 PHE 42 CA -0.0045 0.0072 0.0006 1395 PHE 42 C -0.0046 0.0070 0.0010 1396 PHE 42 O -0.0047 0.0070 0.0011 1397 PHE 42 CB -0.0044 0.0077 0.0006 1398 PHE 42 CG -0.0043 0.0078 0.0002 1399 PHE 42 CD1 -0.0042 0.0083 0.0003 1400 PHE 42 CD2 -0.0042 0.0077 -0.0002 1401 PHE 42 CE1 -0.0040 0.0084 -0.0002 1402 PHE 42 CE2 -0.0040 0.0079 -0.0005 1403 PHE 42 CZ -0.0040 0.0083 -0.0005 1404 GLU 43 N -0.0117 0.0075 -0.0003 1405 GLU 43 CA -0.0109 0.0072 -0.0005 1406 GLU 43 C -0.0110 0.0072 -0.0005 1407 GLU 43 O -0.0108 0.0066 -0.0006 1408 GLU 43 CB -0.0105 0.0080 -0.0005 1409 GLU 43 CG -0.0105 0.0090 -0.0005 1410 GLU 43 CD -0.0093 0.0099 -0.0007 1411 GLU 43 OE1 -0.0090 0.0095 -0.0008 1412 GLU 43 OE2 -0.0099 0.0104 -0.0006 1413 SER 44 N -0.0119 0.0073 -0.0003 1414 SER 44 CA -0.0123 0.0069 -0.0002 1415 SER 44 C -0.0119 0.0060 -0.0003 1416 SER 44 O -0.0126 0.0055 -0.0002 1417 SER 44 CB -0.0131 0.0073 -0.0000 1418 SER 44 OG -0.0139 0.0072 0.0001 1419 PHE 45 N -0.0124 0.0054 -0.0003 1420 PHE 45 CA -0.0125 0.0045 -0.0003 1421 PHE 45 C -0.0118 0.0040 -0.0005 1422 PHE 45 O -0.0119 0.0031 -0.0005 1423 PHE 45 CB -0.0129 0.0044 -0.0002 1424 PHE 45 CG -0.0140 0.0046 0.0000 1425 PHE 45 CD1 -0.0143 0.0042 0.0001 1426 PHE 45 CD2 -0.0144 0.0051 0.0001 1427 PHE 45 CE1 -0.0153 0.0046 0.0003 1428 PHE 45 CE2 -0.0153 0.0055 0.0003 1429 PHE 45 CZ -0.0156 0.0050 0.0004 1430 GLY 46 N -0.0131 0.0088 -0.0032 1431 GLY 46 CA -0.0125 0.0083 -0.0034 1432 GLY 46 C -0.0109 0.0070 -0.0040 1433 GLY 46 O -0.0102 0.0075 -0.0050 1434 ASP 47 N -0.0106 0.0061 -0.0036 1435 ASP 47 CA -0.0089 0.0052 -0.0045 1436 ASP 47 C -0.0084 0.0037 -0.0039 1437 ASP 47 O -0.0091 0.0031 -0.0027 1438 ASP 47 CB -0.0090 0.0041 -0.0036 1439 ASP 47 CG -0.0077 0.0035 -0.0045 1440 ASP 47 OD1 -0.0072 0.0023 -0.0040 1441 ASP 47 OD2 -0.0063 0.0035 -0.0058 1442 LEU 48 N -0.0077 0.0043 -0.0051 1443 LEU 48 CA -0.0070 0.0035 -0.0051 1444 LEU 48 C -0.0054 0.0027 -0.0061 1445 LEU 48 O -0.0048 0.0024 -0.0065 1446 LEU 48 CB -0.0077 0.0044 -0.0052 1447 LEU 48 CG -0.0090 0.0047 -0.0041 1448 LEU 48 CD1 -0.0096 0.0059 -0.0044 1449 LEU 48 CD2 -0.0096 0.0038 -0.0028 1450 SER 49 N -0.0043 0.0029 -0.0087 1451 SER 49 CA -0.0014 0.0030 -0.0105 1452 SER 49 C -0.0006 0.0007 -0.0096 1453 SER 49 O 0.0022 0.0005 -0.0112 1454 SER 49 CB -0.0010 0.0034 -0.0110 1455 SER 49 OG -0.0018 0.0010 -0.0091 1456 THR 50 N -0.0006 -0.0014 -0.0083 1457 THR 50 CA 0.0003 -0.0034 -0.0075 1458 THR 50 C -0.0010 -0.0047 -0.0059 1459 THR 50 O -0.0033 -0.0038 -0.0051 1460 THR 50 CB 0.0010 -0.0045 -0.0072 1461 THR 50 OG1 -0.0001 -0.0062 -0.0054 1462 THR 50 CG2 0.0031 -0.0046 -0.0085 1463 PRO 51 N 0.0003 -0.0067 -0.0054 1464 PRO 51 CA -0.0010 -0.0075 -0.0041 1465 PRO 51 C -0.0028 -0.0085 -0.0023 1466 PRO 51 O -0.0053 -0.0081 -0.0011 1467 PRO 51 CB 0.0008 -0.0094 -0.0040 1468 PRO 51 CG 0.0030 -0.0083 -0.0060 1469 PRO 51 CD 0.0032 -0.0074 -0.0067 1470 ASP 52 N -0.0020 -0.0099 -0.0026 1471 ASP 52 CA -0.0034 -0.0107 -0.0009 1472 ASP 52 C -0.0055 -0.0085 -0.0006 1473 ASP 52 O -0.0075 -0.0085 0.0011 1474 ASP 52 CB -0.0021 -0.0120 -0.0012 1475 ASP 52 CG -0.0011 -0.0153 0.0002 1476 ASP 52 OD1 -0.0014 -0.0158 0.0007 1477 ASP 52 OD2 0.0012 -0.0158 -0.0014 1478 ALA 53 N -0.0050 -0.0064 -0.0023 1479 ALA 53 CA -0.0069 -0.0041 -0.0022 1480 ALA 53 C -0.0090 -0.0031 -0.0012 1481 ALA 53 O -0.0110 -0.0022 -0.0001 1482 ALA 53 CB -0.0061 -0.0022 -0.0041 1483 VAL 54 N -0.0080 -0.0032 -0.0019 1484 VAL 54 CA -0.0094 -0.0025 -0.0012 1485 VAL 54 C -0.0106 -0.0040 0.0007 1486 VAL 54 O -0.0129 -0.0031 0.0021 1487 VAL 54 CB -0.0079 -0.0022 -0.0027 1488 VAL 54 CG1 -0.0095 -0.0019 -0.0015 1489 VAL 54 CG2 -0.0065 -0.0007 -0.0048 1490 MET 55 N -0.0091 -0.0047 0.0001 1491 MET 55 CA -0.0092 -0.0053 0.0016 1492 MET 55 C -0.0107 -0.0052 0.0030 1493 MET 55 O -0.0111 -0.0055 0.0040 1494 MET 55 CB -0.0076 -0.0067 0.0024 1495 MET 55 CG -0.0060 -0.0070 0.0012 1496 MET 55 SD -0.0061 -0.0066 0.0006 1497 MET 55 CE -0.0063 -0.0074 0.0023 1498 GLY 56 N -0.0111 -0.0049 0.0028 1499 GLY 56 CA -0.0126 -0.0047 0.0042 1500 GLY 56 C -0.0141 -0.0034 0.0034 1501 GLY 56 O -0.0155 -0.0030 0.0044 1502 ASN 57 N -0.0144 -0.0026 0.0022 1503 ASN 57 CA -0.0157 -0.0015 0.0015 1504 ASN 57 C -0.0168 -0.0013 0.0024 1505 ASN 57 O -0.0165 -0.0016 0.0025 1506 ASN 57 CB -0.0154 -0.0008 -0.0003 1507 ASN 57 CG -0.0169 0.0004 -0.0011 1508 ASN 57 OD1 -0.0179 0.0008 -0.0006 1509 ASN 57 ND2 -0.0167 0.0010 -0.0023 1510 PRO 58 N -0.0175 -0.0006 0.0048 1511 PRO 58 CA -0.0179 -0.0005 0.0048 1512 PRO 58 C -0.0177 -0.0007 0.0031 1513 PRO 58 O -0.0173 -0.0007 0.0033 1514 PRO 58 CB -0.0198 -0.0004 0.0061 1515 PRO 58 CG -0.0202 -0.0004 0.0061 1516 PRO 58 CD -0.0194 -0.0004 0.0057 1517 LYS 59 N -0.0184 -0.0009 0.0016 1518 LYS 59 CA -0.0185 -0.0011 -0.0004 1519 LYS 59 C -0.0164 -0.0012 -0.0013 1520 LYS 59 O -0.0159 -0.0013 -0.0019 1521 LYS 59 CB -0.0197 -0.0012 -0.0016 1522 LYS 59 CG -0.0218 -0.0011 -0.0014 1523 LYS 59 CD -0.0225 -0.0011 -0.0010 1524 LYS 59 CE -0.0255 -0.0010 -0.0007 1525 LYS 59 NZ -0.0260 -0.0011 -0.0018 1526 VAL 60 N -0.0154 -0.0011 -0.0006 1527 VAL 60 CA -0.0134 -0.0012 -0.0011 1528 VAL 60 C -0.0125 -0.0012 -0.0004 1529 VAL 60 O -0.0113 -0.0012 -0.0009 1530 VAL 60 CB -0.0123 -0.0012 -0.0011 1531 VAL 60 CG1 -0.0101 -0.0013 -0.0009 1532 VAL 60 CG2 -0.0131 -0.0013 -0.0022 1533 LYS 61 N -0.0104 -0.0002 -0.0004 1534 LYS 61 CA -0.0095 0.0000 0.0005 1535 LYS 61 C -0.0099 -0.0001 0.0002 1536 LYS 61 O -0.0088 -0.0002 -0.0003 1537 LYS 61 CB -0.0102 0.0005 0.0023 1538 LYS 61 CG -0.0096 0.0007 0.0030 1539 LYS 61 CD -0.0108 0.0012 0.0050 1540 LYS 61 CE -0.0091 0.0014 0.0059 1541 LYS 61 NZ -0.0103 0.0019 0.0076 1542 ALA 62 N -0.0114 -0.0002 -0.0003 1543 ALA 62 CA -0.0117 -0.0003 -0.0009 1544 ALA 62 C -0.0108 -0.0008 -0.0026 1545 ALA 62 O -0.0105 -0.0009 -0.0028 1546 ALA 62 CB -0.0137 -0.0003 -0.0011 1547 HIS 63 N -0.0112 -0.0010 -0.0036 1548 HIS 63 CA -0.0103 -0.0015 -0.0052 1549 HIS 63 C -0.0083 -0.0015 -0.0049 1550 HIS 63 O -0.0076 -0.0017 -0.0056 1551 HIS 63 CB -0.0107 -0.0018 -0.0063 1552 HIS 63 CG -0.0104 -0.0022 -0.0080 1553 HIS 63 ND1 -0.0108 -0.0024 -0.0088 1554 HIS 63 CD2 -0.0089 -0.0026 -0.0090 1555 HIS 63 CE1 -0.0099 -0.0029 -0.0105 1556 HIS 63 NE2 -0.0090 -0.0029 -0.0105 1557 GLY 64 N -0.0046 -0.0025 -0.0051 1558 GLY 64 CA -0.0039 -0.0033 -0.0047 1559 GLY 64 C -0.0018 -0.0029 -0.0036 1560 GLY 64 O -0.0006 -0.0038 -0.0028 1561 LYS 65 N -0.0011 -0.0007 -0.0034 1562 LYS 65 CA 0.0010 0.0000 -0.0023 1563 LYS 65 C 0.0027 -0.0013 -0.0013 1564 LYS 65 O 0.0044 -0.0016 -0.0004 1565 LYS 65 CB 0.0015 0.0032 -0.0024 1566 LYS 65 CG 0.0017 0.0032 -0.0023 1567 LYS 65 CD 0.0023 0.0076 -0.0024 1568 LYS 65 CE 0.0051 0.0053 -0.0007 1569 LYS 65 NZ 0.0052 0.0093 -0.0010 1570 LYS 66 N 0.0022 -0.0020 -0.0015 1571 LYS 66 CA 0.0035 -0.0030 -0.0007 1572 LYS 66 C 0.0038 -0.0059 -0.0003 1573 LYS 66 O 0.0056 -0.0068 0.0008 1574 LYS 66 CB 0.0029 -0.0035 -0.0010 1575 LYS 66 CG 0.0040 -0.0049 -0.0002 1576 LYS 66 CD 0.0032 -0.0047 -0.0007 1577 LYS 66 CE 0.0068 -0.0034 0.0011 1578 LYS 66 NZ 0.0063 -0.0044 0.0009 1579 VAL 67 N 0.0031 -0.0062 -0.0013 1580 VAL 67 CA 0.0036 -0.0092 -0.0012 1581 VAL 67 C 0.0048 -0.0100 0.0000 1582 VAL 67 O 0.0062 -0.0115 0.0015 1583 VAL 67 CB 0.0019 -0.0104 -0.0034 1584 VAL 67 CG1 0.0021 -0.0131 -0.0037 1585 VAL 67 CG2 0.0007 -0.0097 -0.0046 1586 LEU 68 N 0.0045 -0.0089 -0.0001 1587 LEU 68 CA 0.0058 -0.0097 0.0012 1588 LEU 68 C 0.0076 -0.0090 0.0035 1589 LEU 68 O 0.0090 -0.0101 0.0049 1590 LEU 68 CB 0.0050 -0.0091 0.0005 1591 LEU 68 CG 0.0049 -0.0111 -0.0000 1592 LEU 68 CD1 0.0061 -0.0099 0.0016 1593 LEU 68 CD2 0.0045 -0.0133 -0.0009 1594 GLY 69 N 0.0078 -0.0068 0.0041 1595 GLY 69 CA 0.0092 -0.0061 0.0059 1596 GLY 69 C 0.0107 -0.0078 0.0073 1597 GLY 69 O 0.0120 -0.0087 0.0087 1598 ALA 70 N 0.0060 -0.0120 0.0096 1599 ALA 70 CA 0.0061 -0.0120 0.0093 1600 ALA 70 C 0.0070 -0.0130 0.0093 1601 ALA 70 O 0.0071 -0.0133 0.0096 1602 ALA 70 CB 0.0059 -0.0115 0.0082 1603 PHE 71 N 0.0075 -0.0135 0.0087 1604 PHE 71 CA 0.0084 -0.0145 0.0088 1605 PHE 71 C 0.0085 -0.0149 0.0101 1606 PHE 71 O 0.0088 -0.0153 0.0103 1607 PHE 71 CB 0.0088 -0.0148 0.0081 1608 PHE 71 CG 0.0097 -0.0158 0.0081 1609 PHE 71 CD1 0.0101 -0.0161 0.0072 1610 PHE 71 CD2 0.0101 -0.0165 0.0090 1611 PHE 71 CE1 0.0110 -0.0170 0.0070 1612 PHE 71 CE2 0.0109 -0.0173 0.0088 1613 PHE 71 CZ 0.0114 -0.0176 0.0078 1614 SER 72 N 0.0082 -0.0148 0.0107 1615 SER 72 CA 0.0082 -0.0151 0.0121 1616 SER 72 C 0.0080 -0.0150 0.0125 1617 SER 72 O 0.0083 -0.0156 0.0132 1618 SER 72 CB 0.0079 -0.0149 0.0126 1619 SER 72 OG 0.0080 -0.0153 0.0137 1620 ASP 73 N 0.0008 -0.0140 0.0184 1621 ASP 73 CA -0.0013 -0.0125 0.0201 1622 ASP 73 C -0.0006 -0.0128 0.0192 1623 ASP 73 O -0.0014 -0.0130 0.0207 1624 ASP 73 CB -0.0033 -0.0092 0.0195 1625 ASP 73 CG -0.0045 -0.0092 0.0215 1626 ASP 73 OD1 -0.0040 -0.0118 0.0233 1627 ASP 73 OD2 -0.0055 -0.0073 0.0208 1628 GLY 74 N 0.0010 -0.0125 0.0165 1629 GLY 74 CA 0.0021 -0.0131 0.0155 1630 GLY 74 C 0.0030 -0.0154 0.0165 1631 GLY 74 O 0.0036 -0.0166 0.0170 1632 LEU 75 N 0.0042 -0.0184 0.0179 1633 LEU 75 CA 0.0053 -0.0211 0.0191 1634 LEU 75 C 0.0035 -0.0214 0.0221 1635 LEU 75 O 0.0042 -0.0233 0.0230 1636 LEU 75 CB 0.0064 -0.0235 0.0200 1637 LEU 75 CG 0.0078 -0.0234 0.0177 1638 LEU 75 CD1 0.0093 -0.0258 0.0179 1639 LEU 75 CD2 0.0099 -0.0241 0.0152 1640 ALA 76 N -0.0053 -0.0212 0.0324 1641 ALA 76 CA -0.0085 -0.0213 0.0346 1642 ALA 76 C -0.0106 -0.0182 0.0327 1643 ALA 76 O -0.0122 -0.0183 0.0338 1644 ALA 76 CB -0.0142 -0.0200 0.0370 1645 HIS 77 N -0.0078 -0.0149 0.0272 1646 HIS 77 CA -0.0095 -0.0111 0.0243 1647 HIS 77 C -0.0040 -0.0115 0.0211 1648 HIS 77 O -0.0036 -0.0081 0.0173 1649 HIS 77 CB -0.0116 -0.0076 0.0218 1650 HIS 77 CG -0.0172 -0.0075 0.0254 1651 HIS 77 ND1 -0.0193 -0.0083 0.0278 1652 HIS 77 CD2 -0.0215 -0.0070 0.0278 1653 HIS 77 CE1 -0.0234 -0.0078 0.0299 1654 HIS 77 NE2 -0.0249 -0.0072 0.0302 1655 LEU 78 N -0.0005 -0.0150 0.0225 1656 LEU 78 CA 0.0049 -0.0154 0.0195 1657 LEU 78 C 0.0050 -0.0136 0.0174 1658 LEU 78 O 0.0074 -0.0114 0.0135 1659 LEU 78 CB 0.0086 -0.0201 0.0221 1660 LEU 78 CG 0.0111 -0.0220 0.0226 1661 LEU 78 CD1 0.0128 -0.0271 0.0269 1662 LEU 78 CD2 0.0136 -0.0204 0.0192 1663 ASP 79 N 0.0057 -0.0130 0.0207 1664 ASP 79 CA 0.0071 -0.0107 0.0150 1665 ASP 79 C 0.0028 -0.0068 0.0082 1666 ASP 79 O 0.0004 -0.0045 0.0041 1667 ASP 79 CB 0.0003 -0.0112 0.0190 1668 ASP 79 CG 0.0038 -0.0142 0.0240 1669 ASP 79 OD1 0.0003 -0.0152 0.0277 1670 ASP 79 OD2 0.0138 -0.0157 0.0234 1671 ASN 80 N -0.0032 -0.0063 0.0096 1672 ASN 80 CA -0.0106 -0.0021 0.0033 1673 ASN 80 C -0.0100 -0.0028 0.0046 1674 ASN 80 O -0.0163 -0.0016 0.0046 1675 ASN 80 CB -0.0176 -0.0016 0.0051 1676 ASN 80 CG -0.0246 0.0028 -0.0018 1677 ASN 80 OD1 -0.0196 0.0047 -0.0080 1678 ASN 80 ND2 -0.0312 0.0019 0.0028 1679 LEU 81 N -0.0031 -0.0033 0.0030 1680 LEU 81 CA -0.0056 -0.0025 0.0022 1681 LEU 81 C -0.0103 0.0008 -0.0032 1682 LEU 81 O -0.0142 0.0018 -0.0038 1683 LEU 81 CB 0.0026 -0.0046 0.0035 1684 LEU 81 CG 0.0079 -0.0084 0.0098 1685 LEU 81 CD1 0.0165 -0.0096 0.0089 1686 LEU 81 CD2 0.0042 -0.0109 0.0167 1687 LYS 82 N -0.0076 0.0114 -0.0126 1688 LYS 82 CA -0.0098 0.0133 -0.0159 1689 LYS 82 C -0.0168 0.0116 -0.0171 1690 LYS 82 O -0.0200 0.0104 -0.0173 1691 LYS 82 CB -0.0077 0.0192 -0.0215 1692 LYS 82 CG -0.0001 0.0223 -0.0216 1693 LYS 82 CD 0.0020 0.0290 -0.0282 1694 LYS 82 CE 0.0001 0.0297 -0.0299 1695 LYS 82 NZ -0.0010 0.0380 -0.0398 1696 GLY 83 N -0.0217 0.0105 -0.0181 1697 GLY 83 CA -0.0302 0.0078 -0.0190 1698 GLY 83 C -0.0319 0.0024 -0.0136 1699 GLY 83 O -0.0375 0.0008 -0.0144 1700 THR 84 N -0.0286 -0.0007 -0.0086 1701 THR 84 CA -0.0293 -0.0064 -0.0024 1702 THR 84 C -0.0293 -0.0070 -0.0018 1703 THR 84 O -0.0317 -0.0103 0.0008 1704 THR 84 CB -0.0250 -0.0097 0.0032 1705 THR 84 OG1 -0.0279 -0.0092 0.0014 1706 THR 84 CG2 -0.0272 -0.0146 0.0078 1707 PHE 85 N -0.0191 -0.0036 -0.0089 1708 PHE 85 CA -0.0144 -0.0042 -0.0053 1709 PHE 85 C -0.0164 -0.0010 -0.0092 1710 PHE 85 O -0.0123 -0.0007 -0.0066 1711 PHE 85 CB -0.0058 -0.0031 -0.0002 1712 PHE 85 CG -0.0044 -0.0080 0.0047 1713 PHE 85 CD1 -0.0018 -0.0066 0.0053 1714 PHE 85 CD2 -0.0062 -0.0150 0.0090 1715 PHE 85 CE1 -0.0011 -0.0127 0.0106 1716 PHE 85 CE2 -0.0041 -0.0197 0.0142 1717 PHE 85 CZ -0.0021 -0.0194 0.0153 1718 ALA 86 N -0.0211 0.0024 -0.0151 1719 ALA 86 CA -0.0227 0.0067 -0.0196 1720 ALA 86 C -0.0247 0.0028 -0.0179 1721 ALA 86 O -0.0214 0.0049 -0.0173 1722 ALA 86 CB -0.0287 0.0105 -0.0268 1723 THR 87 N -0.0304 -0.0035 -0.0168 1724 THR 87 CA -0.0320 -0.0072 -0.0149 1725 THR 87 C -0.0259 -0.0108 -0.0079 1726 THR 87 O -0.0243 -0.0102 -0.0073 1727 THR 87 CB -0.0399 -0.0169 -0.0126 1728 THR 87 OG1 -0.0451 -0.0138 -0.0187 1729 THR 87 CG2 -0.0440 -0.0176 -0.0149 1730 LEU 88 N -0.0154 -0.0143 -0.0076 1731 LEU 88 CA -0.0093 -0.0158 -0.0033 1732 LEU 88 C -0.0042 -0.0099 -0.0022 1733 LEU 88 O 0.0003 -0.0109 0.0008 1734 LEU 88 CB -0.0081 -0.0199 -0.0012 1735 LEU 88 CG -0.0120 -0.0273 -0.0010 1736 LEU 88 CD1 -0.0090 -0.0293 0.0015 1737 LEU 88 CD2 -0.0085 -0.0310 0.0024 1738 SER 89 N -0.0052 -0.0039 -0.0049 1739 SER 89 CA -0.0003 0.0024 -0.0041 1740 SER 89 C 0.0006 0.0038 -0.0040 1741 SER 89 O 0.0055 0.0046 -0.0013 1742 SER 89 CB -0.0029 0.0077 -0.0075 1743 SER 89 OG 0.0021 0.0142 -0.0067 1744 GLU 90 N -0.0052 0.0041 -0.0077 1745 GLU 90 CA -0.0055 0.0036 -0.0077 1746 GLU 90 C -0.0027 -0.0002 -0.0047 1747 GLU 90 O 0.0014 0.0014 -0.0028 1748 GLU 90 CB -0.0132 0.0046 -0.0128 1749 GLU 90 CG -0.0142 0.0096 -0.0151 1750 GLU 90 CD -0.0226 0.0119 -0.0210 1751 GLU 90 OE1 -0.0221 0.0112 -0.0205 1752 GLU 90 OE2 -0.0267 0.0089 -0.0225 1753 LEU 91 N 0.0066 -0.0045 -0.0050 1754 LEU 91 CA 0.0103 -0.0074 -0.0043 1755 LEU 91 C 0.0130 -0.0066 -0.0020 1756 LEU 91 O 0.0166 -0.0073 0.0000 1757 LEU 91 CB 0.0089 -0.0111 -0.0076 1758 LEU 91 CG 0.0125 -0.0144 -0.0072 1759 LEU 91 CD1 0.0145 -0.0158 -0.0068 1760 LEU 91 CD2 0.0124 -0.0176 -0.0093 1761 HIS 92 N 0.0109 -0.0056 -0.0027 1762 HIS 92 CA 0.0137 -0.0054 -0.0007 1763 HIS 92 C 0.0153 -0.0014 0.0029 1764 HIS 92 O 0.0186 -0.0015 0.0050 1765 HIS 92 CB 0.0113 -0.0045 -0.0018 1766 HIS 92 CG 0.0113 -0.0086 -0.0043 1767 HIS 92 ND1 0.0082 -0.0103 -0.0076 1768 HIS 92 CD2 0.0131 -0.0109 -0.0046 1769 HIS 92 CE1 0.0093 -0.0141 -0.0092 1770 HIS 92 NE2 0.0118 -0.0137 -0.0073 1771 CYS 93 N 0.0130 0.0016 0.0033 1772 CYS 93 CA 0.0147 0.0048 0.0063 1773 CYS 93 C 0.0179 0.0035 0.0077 1774 CYS 93 O 0.0207 0.0040 0.0100 1775 CYS 93 CB 0.0111 0.0081 0.0060 1776 CYS 93 SG 0.0126 0.0128 0.0100 1777 ASP 94 N 0.0181 0.0037 0.0096 1778 ASP 94 CA 0.0233 0.0028 0.0136 1779 ASP 94 C 0.0281 0.0002 0.0109 1780 ASP 94 O 0.0331 -0.0007 0.0145 1781 ASP 94 CB 0.0242 0.0024 0.0131 1782 ASP 94 CG 0.0197 0.0050 0.0163 1783 ASP 94 OD1 0.0180 0.0066 0.0194 1784 ASP 94 OD2 0.0197 0.0043 0.0139 1785 LYS 95 N 0.0290 -0.0017 0.0055 1786 LYS 95 CA 0.0339 -0.0040 0.0042 1787 LYS 95 C 0.0342 -0.0048 0.0021 1788 LYS 95 O 0.0374 -0.0057 0.0032 1789 LYS 95 CB 0.0355 -0.0063 -0.0016 1790 LYS 95 CG 0.0367 -0.0063 0.0000 1791 LYS 95 CD 0.0420 -0.0068 0.0053 1792 LYS 95 CE 0.0442 -0.0075 0.0058 1793 LYS 95 NZ 0.0483 -0.0077 0.0105 1794 LEU 96 N 0.0288 -0.0037 -0.0013 1795 LEU 96 CA 0.0282 -0.0038 -0.0027 1796 LEU 96 C 0.0262 -0.0019 0.0013 1797 LEU 96 O 0.0270 -0.0024 0.0006 1798 LEU 96 CB 0.0254 -0.0046 -0.0089 1799 LEU 96 CG 0.0266 -0.0066 -0.0140 1800 LEU 96 CD1 0.0221 -0.0064 -0.0195 1801 LEU 96 CD2 0.0329 -0.0093 -0.0149 1802 HIS 97 N 0.0183 0.0012 0.0032 1803 HIS 97 CA 0.0167 0.0011 0.0046 1804 HIS 97 C 0.0147 0.0017 0.0034 1805 HIS 97 O 0.0136 0.0017 0.0038 1806 HIS 97 CB 0.0174 0.0006 0.0058 1807 HIS 97 CG 0.0198 0.0001 0.0067 1808 HIS 97 ND1 0.0200 -0.0004 0.0082 1809 HIS 97 CD2 0.0216 0.0001 0.0058 1810 HIS 97 CE1 0.0222 -0.0007 0.0083 1811 HIS 97 NE2 0.0231 -0.0005 0.0071 1812 VAL 98 N 0.0139 0.0021 0.0023 1813 VAL 98 CA 0.0120 0.0027 0.0009 1814 VAL 98 C 0.0099 0.0026 0.0024 1815 VAL 98 O 0.0097 0.0026 0.0025 1816 VAL 98 CB 0.0121 0.0032 -0.0011 1817 VAL 98 CG1 0.0102 0.0038 -0.0024 1818 VAL 98 CG2 0.0141 0.0034 -0.0026 1819 ASP 99 N 0.0084 0.0027 0.0028 1820 ASP 99 CA 0.0065 0.0026 0.0042 1821 ASP 99 C 0.0054 0.0032 0.0024 1822 ASP 99 O 0.0050 0.0038 0.0005 1823 ASP 99 CB 0.0052 0.0028 0.0042 1824 ASP 99 CG 0.0027 0.0029 0.0052 1825 ASP 99 OD1 0.0019 0.0029 0.0057 1826 ASP 99 OD2 0.0023 0.0029 0.0054 1827 PRO 100 N 0.0058 0.0054 0.0027 1828 PRO 100 CA 0.0056 0.0054 0.0026 1829 PRO 100 C 0.0051 0.0053 0.0023 1830 PRO 100 O 0.0049 0.0053 0.0020 1831 PRO 100 CB 0.0055 0.0052 0.0031 1832 PRO 100 CG 0.0058 0.0052 0.0035 1833 PRO 100 CD 0.0059 0.0053 0.0033 1834 GLU 101 N 0.0049 0.0052 0.0022 1835 GLU 101 CA 0.0044 0.0051 0.0019 1836 GLU 101 C 0.0045 0.0053 0.0013 1837 GLU 101 O 0.0043 0.0053 0.0010 1838 GLU 101 CB 0.0042 0.0050 0.0019 1839 GLU 101 CG 0.0037 0.0049 0.0015 1840 GLU 101 CD 0.0032 0.0047 0.0018 1841 GLU 101 OE1 0.0033 0.0046 0.0023 1842 GLU 101 OE2 0.0030 0.0047 0.0014 1843 ASN 102 N 0.0051 0.0055 0.0012 1844 ASN 102 CA 0.0052 0.0057 0.0007 1845 ASN 102 C 0.0051 0.0057 0.0006 1846 ASN 102 O 0.0050 0.0058 0.0001 1847 ASN 102 CB 0.0057 0.0059 0.0006 1848 ASN 102 CG 0.0058 0.0059 0.0006 1849 ASN 102 OD1 0.0056 0.0060 0.0003 1850 ASN 102 ND2 0.0060 0.0059 0.0010 1851 PHE 103 N 0.0069 0.0042 0.0012 1852 PHE 103 CA 0.0069 0.0042 0.0012 1853 PHE 103 C 0.0058 0.0039 0.0007 1854 PHE 103 O 0.0056 0.0040 0.0003 1855 PHE 103 CB 0.0072 0.0041 0.0021 1856 PHE 103 CG 0.0083 0.0044 0.0025 1857 PHE 103 CD1 0.0089 0.0050 0.0019 1858 PHE 103 CD2 0.0084 0.0042 0.0035 1859 PHE 103 CE1 0.0097 0.0052 0.0023 1860 PHE 103 CE2 0.0094 0.0045 0.0038 1861 PHE 103 CZ 0.0100 0.0051 0.0032 1862 ARG 104 N 0.0052 0.0034 0.0011 1863 ARG 104 CA 0.0042 0.0030 0.0008 1864 ARG 104 C 0.0038 0.0032 -0.0002 1865 ARG 104 O 0.0033 0.0032 -0.0008 1866 ARG 104 CB 0.0036 0.0025 0.0016 1867 ARG 104 CG 0.0037 0.0022 0.0026 1868 ARG 104 CD 0.0033 0.0017 0.0035 1869 ARG 104 NE 0.0041 0.0017 0.0045 1870 ARG 104 CZ 0.0029 0.0009 0.0050 1871 ARG 104 NH1 0.0024 0.0008 0.0049 1872 ARG 104 NH2 0.0028 0.0005 0.0061 1873 LEU 105 N 0.0041 0.0035 -0.0005 1874 LEU 105 CA 0.0039 0.0037 -0.0015 1875 LEU 105 C 0.0043 0.0042 -0.0022 1876 LEU 105 O 0.0038 0.0042 -0.0029 1877 LEU 105 CB 0.0043 0.0040 -0.0017 1878 LEU 105 CG 0.0037 0.0035 -0.0012 1879 LEU 105 CD1 0.0043 0.0039 -0.0014 1880 LEU 105 CD2 0.0027 0.0032 -0.0017 1881 LEU 106 N 0.0033 -0.0024 -0.0008 1882 LEU 106 CA 0.0033 -0.0025 -0.0010 1883 LEU 106 C 0.0033 -0.0021 -0.0012 1884 LEU 106 O 0.0033 -0.0020 -0.0013 1885 LEU 106 CB 0.0034 -0.0029 -0.0012 1886 LEU 106 CG 0.0034 -0.0030 -0.0014 1887 LEU 106 CD1 0.0034 -0.0030 -0.0011 1888 LEU 106 CD2 0.0034 -0.0033 -0.0016 1889 GLY 107 N 0.0034 -0.0019 -0.0015 1890 GLY 107 CA 0.0034 -0.0016 -0.0017 1891 GLY 107 C 0.0033 -0.0012 -0.0015 1892 GLY 107 O 0.0034 -0.0010 -0.0016 1893 ASN 108 N 0.0033 -0.0011 -0.0011 1894 ASN 108 CA 0.0033 -0.0008 -0.0009 1895 ASN 108 C 0.0033 -0.0009 -0.0007 1896 ASN 108 O 0.0032 -0.0006 -0.0008 1897 ASN 108 CB 0.0032 -0.0007 -0.0006 1898 ASN 108 CG 0.0032 -0.0004 -0.0008 1899 ASN 108 OD1 0.0033 -0.0002 -0.0012 1900 ASN 108 ND2 0.0032 -0.0005 -0.0005 1901 VAL 109 N 0.0016 -0.0039 -0.0014 1902 VAL 109 CA 0.0014 -0.0032 -0.0017 1903 VAL 109 C 0.0021 -0.0027 -0.0020 1904 VAL 109 O 0.0019 -0.0019 -0.0023 1905 VAL 109 CB 0.0014 -0.0033 -0.0016 1906 VAL 109 CG1 0.0013 -0.0026 -0.0019 1907 VAL 109 CG2 0.0005 -0.0038 -0.0014 1908 LEU 110 N 0.0029 -0.0029 -0.0019 1909 LEU 110 CA 0.0036 -0.0024 -0.0022 1910 LEU 110 C 0.0034 -0.0020 -0.0024 1911 LEU 110 O 0.0035 -0.0014 -0.0027 1912 LEU 110 CB 0.0043 -0.0029 -0.0021 1913 LEU 110 CG 0.0051 -0.0024 -0.0024 1914 LEU 110 CD1 0.0052 -0.0017 -0.0027 1915 LEU 110 CD2 0.0059 -0.0028 -0.0023 1916 VAL 111 N 0.0031 -0.0024 -0.0022 1917 VAL 111 CA 0.0029 -0.0021 -0.0023 1918 VAL 111 C 0.0023 -0.0015 -0.0025 1919 VAL 111 O 0.0023 -0.0008 -0.0028 1920 VAL 111 CB 0.0027 -0.0028 -0.0020 1921 VAL 111 CG1 0.0023 -0.0024 -0.0021 1922 VAL 111 CG2 0.0035 -0.0032 -0.0019 1923 CYS 112 N 0.0011 -0.0037 -0.0050 1924 CYS 112 CA 0.0006 -0.0034 -0.0056 1925 CYS 112 C 0.0011 -0.0029 -0.0062 1926 CYS 112 O 0.0007 -0.0027 -0.0068 1927 CYS 112 CB 0.0004 -0.0034 -0.0058 1928 CYS 112 SG -0.0004 -0.0041 -0.0052 1929 VAL 113 N 0.0018 -0.0027 -0.0060 1930 VAL 113 CA 0.0023 -0.0022 -0.0065 1931 VAL 113 C 0.0024 -0.0021 -0.0066 1932 VAL 113 O 0.0023 -0.0016 -0.0073 1933 VAL 113 CB 0.0031 -0.0019 -0.0063 1934 VAL 113 CG1 0.0037 -0.0014 -0.0068 1935 VAL 113 CG2 0.0031 -0.0019 -0.0064 1936 LEU 114 N 0.0025 -0.0023 -0.0061 1937 LEU 114 CA 0.0025 -0.0023 -0.0063 1938 LEU 114 C 0.0017 -0.0022 -0.0068 1939 LEU 114 O 0.0017 -0.0020 -0.0072 1940 LEU 114 CB 0.0027 -0.0026 -0.0056 1941 LEU 114 CG 0.0036 -0.0025 -0.0052 1942 LEU 114 CD1 0.0037 -0.0029 -0.0044 1943 LEU 114 CD2 0.0042 -0.0020 -0.0055 1944 ALA 115 N 0.0004 -0.0023 -0.0097 1945 ALA 115 CA -0.0000 -0.0019 -0.0097 1946 ALA 115 C -0.0001 -0.0016 -0.0099 1947 ALA 115 O -0.0003 -0.0012 -0.0102 1948 ALA 115 CB -0.0004 -0.0020 -0.0093 1949 HIS 116 N -0.0001 -0.0018 -0.0097 1950 HIS 116 CA -0.0002 -0.0016 -0.0098 1951 HIS 116 C 0.0001 -0.0014 -0.0103 1952 HIS 116 O 0.0000 -0.0010 -0.0106 1953 HIS 116 CB -0.0002 -0.0019 -0.0096 1954 HIS 116 CG -0.0003 -0.0018 -0.0096 1955 HIS 116 ND1 0.0000 -0.0019 -0.0097 1956 HIS 116 CD2 -0.0007 -0.0014 -0.0096 1957 HIS 116 CE1 -0.0003 -0.0017 -0.0097 1958 HIS 116 NE2 -0.0007 -0.0013 -0.0097 1959 HIS 117 N 0.0006 -0.0016 -0.0105 1960 HIS 117 CA 0.0010 -0.0015 -0.0109 1961 HIS 117 C 0.0010 -0.0011 -0.0112 1962 HIS 117 O 0.0011 -0.0008 -0.0116 1963 HIS 117 CB 0.0016 -0.0019 -0.0110 1964 HIS 117 CG 0.0019 -0.0020 -0.0111 1965 HIS 117 ND1 0.0015 -0.0023 -0.0105 1966 HIS 117 CD2 0.0024 -0.0019 -0.0115 1967 HIS 117 CE1 0.0019 -0.0025 -0.0106 1968 HIS 117 NE2 0.0024 -0.0025 -0.0110 1969 PHE 118 N 0.0036 -0.0007 -0.0137 1970 PHE 118 CA 0.0016 -0.0008 -0.0143 1971 PHE 118 C -0.0001 -0.0010 -0.0149 1972 PHE 118 O -0.0017 -0.0013 -0.0160 1973 PHE 118 CB 0.0011 -0.0004 -0.0129 1974 PHE 118 CG 0.0024 -0.0005 -0.0130 1975 PHE 118 CD1 0.0040 0.0000 -0.0114 1976 PHE 118 CD2 0.0030 -0.0011 -0.0149 1977 PHE 118 CE1 0.0054 0.0000 -0.0113 1978 PHE 118 CE2 0.0038 -0.0010 -0.0145 1979 PHE 118 CZ 0.0057 -0.0007 -0.0135 1980 GLY 119 N 0.0000 -0.0008 -0.0142 1981 GLY 119 CA -0.0017 -0.0009 -0.0149 1982 GLY 119 C -0.0038 -0.0006 -0.0142 1983 GLY 119 O -0.0042 -0.0001 -0.0124 1984 LYS 120 N -0.0052 -0.0010 -0.0155 1985 LYS 120 CA -0.0077 -0.0008 -0.0149 1986 LYS 120 C -0.0083 -0.0006 -0.0145 1987 LYS 120 O -0.0100 -0.0002 -0.0134 1988 LYS 120 CB -0.0094 -0.0014 -0.0170 1989 LYS 120 CG -0.0094 -0.0019 -0.0186 1990 LYS 120 CD -0.0112 -0.0024 -0.0204 1991 LYS 120 CE -0.0107 -0.0029 -0.0219 1992 LYS 120 NZ -0.0121 -0.0034 -0.0235 1993 GLU 121 N -0.0035 -0.0025 -0.0136 1994 GLU 121 CA -0.0034 -0.0024 -0.0130 1995 GLU 121 C -0.0031 -0.0021 -0.0109 1996 GLU 121 O -0.0035 -0.0020 -0.0101 1997 GLU 121 CB -0.0020 -0.0026 -0.0140 1998 GLU 121 CG -0.0023 -0.0027 -0.0142 1999 GLU 121 CD -0.0001 -0.0029 -0.0151 2000 GLU 121 OE1 -0.0006 -0.0027 -0.0142 2001 GLU 121 OE2 -0.0005 -0.0031 -0.0164 2002 PHE 122 N -0.0024 -0.0020 -0.0102 2003 PHE 122 CA -0.0021 -0.0017 -0.0083 2004 PHE 122 C -0.0038 -0.0015 -0.0075 2005 PHE 122 O -0.0040 -0.0014 -0.0070 2006 PHE 122 CB -0.0005 -0.0017 -0.0080 2007 PHE 122 CG 0.0002 -0.0014 -0.0063 2008 PHE 122 CD1 0.0009 -0.0013 -0.0058 2009 PHE 122 CD2 0.0001 -0.0012 -0.0052 2010 PHE 122 CE1 0.0017 -0.0011 -0.0043 2011 PHE 122 CE2 0.0007 -0.0009 -0.0035 2012 PHE 122 CZ 0.0014 -0.0009 -0.0032 2013 THR 123 N -0.0050 -0.0015 -0.0076 2014 THR 123 CA -0.0068 -0.0014 -0.0070 2015 THR 123 C -0.0067 -0.0010 -0.0049 2016 THR 123 O -0.0057 -0.0009 -0.0043 2017 THR 123 CB -0.0080 -0.0014 -0.0074 2018 THR 123 OG1 -0.0077 -0.0013 -0.0068 2019 THR 123 CG2 -0.0082 -0.0018 -0.0094 2020 PRO 124 N -0.0048 -0.0011 -0.0020 2021 PRO 124 CA -0.0050 -0.0000 -0.0002 2022 PRO 124 C -0.0055 0.0004 0.0006 2023 PRO 124 O -0.0045 0.0012 0.0019 2024 PRO 124 CB -0.0063 0.0001 0.0001 2025 PRO 124 CG -0.0062 -0.0009 -0.0016 2026 PRO 124 CD -0.0060 -0.0017 -0.0031 2027 PRO 125 N -0.0067 0.0002 0.0003 2028 PRO 125 CA -0.0072 0.0006 0.0011 2029 PRO 125 C -0.0057 0.0007 0.0011 2030 PRO 125 O -0.0053 0.0014 0.0023 2031 PRO 125 CB -0.0089 0.0003 0.0005 2032 PRO 125 CG -0.0097 -0.0002 -0.0003 2033 PRO 125 CD -0.0084 -0.0006 -0.0010 2034 VAL 126 N -0.0048 -0.0000 -0.0002 2035 VAL 126 CA -0.0031 -0.0000 -0.0003 2036 VAL 126 C -0.0015 0.0004 0.0004 2037 VAL 126 O -0.0006 0.0010 0.0015 2038 VAL 126 CB -0.0025 -0.0011 -0.0022 2039 VAL 126 CG1 -0.0009 -0.0011 -0.0022 2040 VAL 126 CG2 -0.0038 -0.0016 -0.0030 2041 GLN 127 N -0.0015 0.0003 -0.0001 2042 GLN 127 CA -0.0006 0.0009 0.0006 2043 GLN 127 C -0.0006 0.0012 0.0030 2044 GLN 127 O 0.0006 0.0020 0.0043 2045 GLN 127 CB -0.0012 0.0004 -0.0007 2046 GLN 127 CG -0.0002 0.0011 0.0004 2047 GLN 127 CD -0.0011 0.0004 -0.0007 2048 GLN 127 OE1 -0.0024 -0.0004 -0.0022 2049 GLN 127 NE2 -0.0004 0.0009 0.0000 2050 ALA 128 N -0.0026 0.0004 0.0041 2051 ALA 128 CA -0.0030 0.0005 0.0064 2052 ALA 128 C -0.0018 0.0013 0.0080 2053 ALA 128 O -0.0009 0.0020 0.0096 2054 ALA 128 CB -0.0053 -0.0006 0.0070 2055 ALA 129 N -0.0015 0.0014 0.0075 2056 ALA 129 CA -0.0004 0.0021 0.0085 2057 ALA 129 C 0.0019 0.0033 0.0081 2058 ALA 129 O 0.0029 0.0040 0.0101 2059 ALA 129 CB -0.0006 0.0019 0.0076 2060 TYR 130 N 0.0017 -0.0031 0.0064 2061 TYR 130 CA 0.0038 -0.0020 0.0064 2062 TYR 130 C 0.0046 -0.0011 0.0074 2063 TYR 130 O 0.0060 -0.0000 0.0081 2064 TYR 130 CB 0.0048 -0.0024 0.0040 2065 TYR 130 CG 0.0054 -0.0024 0.0032 2066 TYR 130 CD1 0.0072 -0.0014 0.0032 2067 TYR 130 CD2 0.0041 -0.0036 0.0022 2068 TYR 130 CE1 0.0074 -0.0015 0.0026 2069 TYR 130 CE2 0.0044 -0.0036 0.0016 2070 TYR 130 CZ 0.0063 -0.0025 0.0016 2071 TYR 130 OH 0.0067 -0.0025 0.0010 2072 GLN 131 N 0.0035 -0.0017 0.0075 2073 GLN 131 CA 0.0038 -0.0010 0.0087 2074 GLN 131 C 0.0037 -0.0001 0.0110 2075 GLN 131 O 0.0053 0.0010 0.0118 2076 GLN 131 CB 0.0025 -0.0018 0.0086 2077 GLN 131 CG 0.0029 -0.0025 0.0063 2078 GLN 131 CD 0.0047 -0.0018 0.0057 2079 GLN 131 OE1 0.0047 -0.0025 0.0039 2080 GLN 131 NE2 0.0058 -0.0007 0.0067 2081 LYS 132 N 0.0023 -0.0005 0.0119 2082 LYS 132 CA 0.0020 0.0002 0.0140 2083 LYS 132 C 0.0039 0.0013 0.0143 2084 LYS 132 O 0.0050 0.0025 0.0157 2085 LYS 132 CB 0.0005 -0.0004 0.0148 2086 LYS 132 CG -0.0015 -0.0013 0.0152 2087 LYS 132 CD -0.0032 -0.0019 0.0159 2088 LYS 132 CE -0.0048 -0.0029 0.0158 2089 LYS 132 NZ -0.0065 -0.0033 0.0170 2090 VAL 133 N 0.0110 -0.0063 0.0134 2091 VAL 133 CA 0.0108 -0.0059 0.0136 2092 VAL 133 C 0.0120 -0.0050 0.0131 2093 VAL 133 O 0.0119 -0.0036 0.0134 2094 VAL 133 CB 0.0105 -0.0071 0.0136 2095 VAL 133 CG1 0.0105 -0.0067 0.0136 2096 VAL 133 CG2 0.0091 -0.0078 0.0141 2097 VAL 134 N 0.0133 -0.0054 0.0124 2098 VAL 134 CA 0.0144 -0.0048 0.0120 2099 VAL 134 C 0.0146 -0.0033 0.0121 2100 VAL 134 O 0.0152 -0.0021 0.0120 2101 VAL 134 CB 0.0158 -0.0053 0.0112 2102 VAL 134 CG1 0.0155 -0.0066 0.0112 2103 VAL 134 CG2 0.0163 -0.0059 0.0109 2104 ALA 135 N 0.0145 -0.0031 0.0122 2105 ALA 135 CA 0.0146 -0.0017 0.0124 2106 ALA 135 C 0.0136 -0.0006 0.0130 2107 ALA 135 O 0.0139 0.0008 0.0131 2108 ALA 135 CB 0.0146 -0.0019 0.0123 2109 GLY 136 N 0.0176 -0.0014 0.0110 2110 GLY 136 CA 0.0142 -0.0002 0.0107 2111 GLY 136 C 0.0130 0.0000 0.0107 2112 GLY 136 O 0.0116 0.0020 0.0097 2113 VAL 137 N 0.0132 -0.0023 0.0121 2114 VAL 137 CA 0.0121 -0.0022 0.0121 2115 VAL 137 C 0.0137 -0.0003 0.0108 2116 VAL 137 O 0.0121 0.0014 0.0100 2117 VAL 137 CB 0.0124 -0.0050 0.0138 2118 VAL 137 CG1 0.0112 -0.0047 0.0138 2119 VAL 137 CG2 0.0104 -0.0067 0.0151 2120 ALA 138 N 0.0166 -0.0000 0.0102 2121 ALA 138 CA 0.0183 0.0019 0.0089 2122 ALA 138 C 0.0171 0.0046 0.0074 2123 ALA 138 O 0.0167 0.0065 0.0063 2124 ALA 138 CB 0.0216 0.0014 0.0087 2125 ASN 139 N 0.0176 0.0095 0.0019 2126 ASN 139 CA 0.0159 0.0133 -0.0010 2127 ASN 139 C 0.0111 0.0133 -0.0027 2128 ASN 139 O 0.0104 0.0153 -0.0041 2129 ASN 139 CB 0.0156 0.0153 -0.0024 2130 ASN 139 CG 0.0175 0.0163 -0.0023 2131 ASN 139 OD1 0.0225 0.0172 -0.0010 2132 ASN 139 ND2 0.0214 0.0170 -0.0014 2133 ALA 140 N 0.0085 0.0098 -0.0014 2134 ALA 140 CA 0.0043 0.0094 -0.0027 2135 ALA 140 C 0.0042 0.0082 -0.0020 2136 ALA 140 O 0.0014 0.0095 -0.0037 2137 ALA 140 CB 0.0013 0.0058 -0.0016 2138 LEU 141 N 0.0064 0.0061 0.0001 2139 LEU 141 CA 0.0067 0.0051 0.0008 2140 LEU 141 C 0.0078 0.0086 -0.0010 2141 LEU 141 O 0.0076 0.0088 -0.0012 2142 LEU 141 CB 0.0087 0.0016 0.0035 2143 LEU 141 CG 0.0061 -0.0021 0.0050 2144 LEU 141 CD1 0.0089 -0.0052 0.0078 2145 LEU 141 CD2 0.0027 -0.0034 0.0045 2146 ALA 142 N 0.0111 0.0138 -0.0015 2147 ALA 142 CA 0.0143 0.0184 -0.0001 2148 ALA 142 C 0.0094 0.0235 -0.0060 2149 ALA 142 O 0.0123 0.0272 -0.0047 2150 ALA 142 CB 0.0196 0.0238 0.0028 2151 HIS 143 N 0.0051 0.0231 -0.0097 2152 HIS 143 CA 0.0010 0.0285 -0.0150 2153 HIS 143 C -0.0003 0.0284 -0.0161 2154 HIS 143 O -0.0011 0.0342 -0.0187 2155 HIS 143 CB -0.0039 0.0267 -0.0187 2156 HIS 143 CG -0.0078 0.0335 -0.0243 2157 HIS 143 ND1 -0.0133 0.0274 -0.0272 2158 HIS 143 CD2 -0.0051 0.0393 -0.0238 2159 HIS 143 CE1 -0.0142 0.0374 -0.0312 2160 HIS 143 NE2 -0.0090 0.0438 -0.0286 2161 LYS 144 N -0.0011 0.0222 -0.0148 2162 LYS 144 CA -0.0033 0.0219 -0.0167 2163 LYS 144 C 0.0014 0.0226 -0.0128 2164 LYS 144 O 0.0003 0.0210 -0.0133 2165 LYS 144 CB -0.0074 0.0146 -0.0180 2166 LYS 144 CG -0.0135 0.0153 -0.0236 2167 LYS 144 CD -0.0176 0.0181 -0.0281 2168 LYS 144 CE -0.0250 0.0203 -0.0352 2169 LYS 144 NZ -0.0297 0.0105 -0.0363 2170 TYR 145 N 0.0049 0.0114 0.0079 2171 TYR 145 CA 0.0063 0.0118 0.0099 2172 TYR 145 C 0.0067 0.0131 0.0134 2173 TYR 145 O 0.0040 0.0141 0.0134 2174 TYR 145 CB 0.0063 0.0118 0.0099 2175 TYR 145 CG 0.0076 0.0102 0.0076 2176 TYR 145 CD1 0.0098 0.0097 0.0085 2177 TYR 145 CD2 0.0066 0.0095 0.0050 2178 TYR 145 CE1 0.0111 0.0084 0.0067 2179 TYR 145 CE2 0.0083 0.0078 0.0026 2180 TYR 145 CZ 0.0105 0.0073 0.0034 2181 TYR 145 OH 0.0114 0.0061 0.0014 2182 HIS 146 N 0.0084 0.0130 0.0147 2183 HIS 146 CA 0.0092 0.0141 0.0180 2184 HIS 146 C 0.0114 0.0139 0.0196 2185 HIS 146 O 0.0132 0.0126 0.0184 2186 HIS 146 CB 0.0092 0.0140 0.0178 2187 HIS 146 CG 0.0135 0.0123 0.0179 2188 HIS 146 ND1 0.0135 0.0122 0.0177 2189 HIS 146 CD2 0.0131 0.0109 0.0144 2190 HIS 146 CE1 0.0165 0.0102 0.0160 2191 HIS 146 NE2 0.0161 0.0100 0.0149 2192 HIS 146 OXT 0.0117 0.0149 0.0222 2193 VAL 1 N -0.0004 -0.0048 0.0088 2194 VAL 1 CA 0.0036 -0.0050 0.0131 2195 VAL 1 C 0.0042 -0.0012 0.0119 2196 VAL 1 O 0.0037 0.0015 0.0100 2197 VAL 1 CB 0.0034 -0.0039 0.0124 2198 VAL 1 CG1 0.0075 -0.0024 0.0159 2199 VAL 1 CG2 0.0064 -0.0071 0.0171 2200 LEU 2 N 0.0045 -0.0018 0.0125 2201 LEU 2 CA 0.0044 0.0001 0.0115 2202 LEU 2 C 0.0074 0.0033 0.0130 2203 LEU 2 O 0.0088 0.0015 0.0154 2204 LEU 2 CB 0.0041 -0.0015 0.0120 2205 LEU 2 CG 0.0011 -0.0031 0.0095 2206 LEU 2 CD1 0.0007 -0.0051 0.0101 2207 LEU 2 CD2 -0.0004 -0.0017 0.0072 2208 SER 3 N 0.0076 0.0061 0.0119 2209 SER 3 CA 0.0101 0.0086 0.0132 2210 SER 3 C 0.0107 0.0088 0.0138 2211 SER 3 O 0.0093 0.0083 0.0126 2212 SER 3 CB 0.0097 0.0112 0.0116 2213 SER 3 OG 0.0086 0.0130 0.0095 2214 PRO 4 N 0.0136 0.0117 0.0217 2215 PRO 4 CA 0.0142 0.0122 0.0223 2216 PRO 4 C 0.0126 0.0145 0.0182 2217 PRO 4 O 0.0116 0.0131 0.0176 2218 PRO 4 CB 0.0178 0.0153 0.0254 2219 PRO 4 CG 0.0188 0.0142 0.0276 2220 PRO 4 CD 0.0160 0.0128 0.0245 2221 ALA 5 N 0.0126 0.0169 0.0163 2222 ALA 5 CA 0.0109 0.0190 0.0122 2223 ALA 5 C 0.0075 0.0154 0.0098 2224 ALA 5 O 0.0061 0.0157 0.0074 2225 ALA 5 CB 0.0110 0.0228 0.0095 2226 ASP 6 N 0.0064 0.0133 0.0097 2227 ASP 6 CA 0.0033 0.0098 0.0076 2228 ASP 6 C 0.0029 0.0072 0.0089 2229 ASP 6 O 0.0005 0.0057 0.0064 2230 ASP 6 CB 0.0023 0.0068 0.0083 2231 ASP 6 CG 0.0020 0.0092 0.0060 2232 ASP 6 OD1 0.0009 0.0119 0.0023 2233 ASP 6 OD2 0.0024 0.0079 0.0076 2234 LYS 7 N 0.0038 0.0056 0.0093 2235 LYS 7 CA 0.0041 0.0045 0.0103 2236 LYS 7 C 0.0040 0.0053 0.0097 2237 LYS 7 O 0.0032 0.0050 0.0090 2238 LYS 7 CB 0.0054 0.0035 0.0122 2239 LYS 7 CG 0.0052 0.0022 0.0126 2240 LYS 7 CD 0.0063 -0.0000 0.0150 2241 LYS 7 CE 0.0070 0.0002 0.0155 2242 LYS 7 NZ 0.0079 -0.0003 0.0168 2243 THR 8 N 0.0051 0.0077 0.0097 2244 THR 8 CA 0.0051 0.0094 0.0089 2245 THR 8 C 0.0037 0.0097 0.0072 2246 THR 8 O 0.0032 0.0097 0.0066 2247 THR 8 CB 0.0068 0.0120 0.0093 2248 THR 8 OG1 0.0082 0.0113 0.0112 2249 THR 8 CG2 0.0071 0.0133 0.0090 2250 ASN 9 N 0.0026 0.0099 0.0059 2251 ASN 9 CA 0.0009 0.0101 0.0039 2252 ASN 9 C -0.0004 0.0082 0.0035 2253 ASN 9 O -0.0012 0.0085 0.0025 2254 ASN 9 CB 0.0002 0.0108 0.0029 2255 ASN 9 CG 0.0009 0.0133 0.0024 2256 ASN 9 OD1 0.0018 0.0145 0.0027 2257 ASN 9 ND2 0.0010 0.0134 0.0024 2258 VAL 10 N -0.0017 0.0071 0.0042 2259 VAL 10 CA -0.0027 0.0055 0.0040 2260 VAL 10 C -0.0030 0.0046 0.0045 2261 VAL 10 O -0.0039 0.0040 0.0035 2262 VAL 10 CB -0.0029 0.0044 0.0051 2263 VAL 10 CG1 -0.0041 0.0026 0.0051 2264 VAL 10 CG2 -0.0029 0.0048 0.0045 2265 LYS 11 N -0.0022 0.0050 0.0058 2266 LYS 11 CA -0.0022 0.0047 0.0061 2267 LYS 11 C -0.0024 0.0053 0.0051 2268 LYS 11 O -0.0031 0.0047 0.0044 2269 LYS 11 CB -0.0014 0.0047 0.0079 2270 LYS 11 CG -0.0012 0.0038 0.0093 2271 LYS 11 CD -0.0003 0.0041 0.0109 2272 LYS 11 CE -0.0001 0.0033 0.0123 2273 LYS 11 NZ 0.0013 0.0046 0.0135 2274 ALA 12 N -0.0018 0.0068 0.0043 2275 ALA 12 CA -0.0021 0.0074 0.0030 2276 ALA 12 C -0.0030 0.0069 0.0016 2277 ALA 12 O -0.0038 0.0064 0.0006 2278 ALA 12 CB -0.0014 0.0090 0.0023 2279 ALA 13 N -0.0080 0.0044 -0.0006 2280 ALA 13 CA -0.0071 0.0037 -0.0019 2281 ALA 13 C -0.0072 0.0023 -0.0017 2282 ALA 13 O -0.0067 0.0008 -0.0022 2283 ALA 13 CB -0.0064 0.0048 -0.0030 2284 TRP 14 N -0.0075 0.0025 -0.0012 2285 TRP 14 CA -0.0075 0.0013 -0.0012 2286 TRP 14 C -0.0081 0.0001 -0.0002 2287 TRP 14 O -0.0079 -0.0015 -0.0003 2288 TRP 14 CB -0.0080 0.0020 -0.0005 2289 TRP 14 CG -0.0075 0.0011 -0.0011 2290 TRP 14 CD1 -0.0082 -0.0001 -0.0000 2291 TRP 14 CD2 -0.0066 0.0011 -0.0024 2292 TRP 14 NE1 -0.0075 -0.0005 -0.0010 2293 TRP 14 CE2 -0.0066 -0.0002 -0.0022 2294 TRP 14 CE3 -0.0059 0.0017 -0.0035 2295 TRP 14 CZ2 -0.0058 -0.0006 -0.0034 2296 TRP 14 CZ3 -0.0049 0.0015 -0.0048 2297 TRP 14 CH2 -0.0051 -0.0000 -0.0045 2298 GLY 15 N -0.0088 0.0000 0.0008 2299 GLY 15 CA -0.0094 -0.0008 0.0018 2300 GLY 15 C -0.0088 -0.0019 0.0010 2301 GLY 15 O -0.0088 -0.0038 0.0012 2302 LYS 16 N -0.0095 -0.0043 -0.0014 2303 LYS 16 CA -0.0088 -0.0045 -0.0030 2304 LYS 16 C -0.0085 -0.0065 -0.0045 2305 LYS 16 O -0.0083 -0.0081 -0.0054 2306 LYS 16 CB -0.0081 -0.0032 -0.0042 2307 LYS 16 CG -0.0084 -0.0035 -0.0036 2308 LYS 16 CD -0.0075 -0.0046 -0.0061 2309 LYS 16 CE -0.0077 -0.0063 -0.0064 2310 LYS 16 NZ -0.0070 -0.0077 -0.0084 2311 VAL 17 N -0.0086 -0.0064 -0.0043 2312 VAL 17 CA -0.0083 -0.0078 -0.0054 2313 VAL 17 C -0.0089 -0.0097 -0.0046 2314 VAL 17 O -0.0088 -0.0118 -0.0054 2315 VAL 17 CB -0.0079 -0.0070 -0.0061 2316 VAL 17 CG1 -0.0080 -0.0087 -0.0063 2317 VAL 17 CG2 -0.0069 -0.0050 -0.0077 2318 GLY 18 N -0.0097 -0.0095 -0.0025 2319 GLY 18 CA -0.0104 -0.0117 -0.0016 2320 GLY 18 C -0.0105 -0.0133 -0.0018 2321 GLY 18 O -0.0102 -0.0133 -0.0025 2322 ALA 19 N -0.0156 -0.0163 -0.0033 2323 ALA 19 CA -0.0155 -0.0173 -0.0036 2324 ALA 19 C -0.0128 -0.0177 -0.0052 2325 ALA 19 O -0.0120 -0.0183 -0.0058 2326 ALA 19 CB -0.0168 -0.0204 -0.0034 2327 HIS 20 N -0.0102 -0.0170 -0.0065 2328 HIS 20 CA -0.0073 -0.0169 -0.0081 2329 HIS 20 C -0.0066 -0.0135 -0.0079 2330 HIS 20 O -0.0040 -0.0131 -0.0092 2331 HIS 20 CB -0.0055 -0.0167 -0.0091 2332 HIS 20 CG -0.0057 -0.0197 -0.0095 2333 HIS 20 ND1 -0.0050 -0.0224 -0.0105 2334 HIS 20 CD2 -0.0076 -0.0205 -0.0087 2335 HIS 20 CE1 -0.0066 -0.0254 -0.0102 2336 HIS 20 NE2 -0.0074 -0.0232 -0.0093 2337 ALA 21 N -0.0084 -0.0113 -0.0065 2338 ALA 21 CA -0.0078 -0.0081 -0.0062 2339 ALA 21 C -0.0066 -0.0081 -0.0068 2340 ALA 21 O -0.0041 -0.0066 -0.0079 2341 ALA 21 CB -0.0106 -0.0068 -0.0043 2342 GLY 22 N -0.0046 -0.0091 -0.0080 2343 GLY 22 CA -0.0033 -0.0090 -0.0084 2344 GLY 22 C -0.0022 -0.0095 -0.0084 2345 GLY 22 O -0.0011 -0.0089 -0.0091 2346 GLU 23 N -0.0018 -0.0107 -0.0080 2347 GLU 23 CA -0.0007 -0.0112 -0.0080 2348 GLU 23 C -0.0005 -0.0102 -0.0086 2349 GLU 23 O 0.0008 -0.0100 -0.0090 2350 GLU 23 CB -0.0010 -0.0126 -0.0072 2351 GLU 23 CG 0.0004 -0.0133 -0.0072 2352 GLU 23 CD -0.0003 -0.0151 -0.0060 2353 GLU 23 OE1 -0.0002 -0.0145 -0.0064 2354 GLU 23 OE2 -0.0012 -0.0147 -0.0060 2355 TYR 24 N -0.0017 -0.0098 -0.0084 2356 TYR 24 CA -0.0018 -0.0089 -0.0089 2357 TYR 24 C -0.0011 -0.0076 -0.0098 2358 TYR 24 O -0.0005 -0.0069 -0.0103 2359 TYR 24 CB -0.0031 -0.0088 -0.0086 2360 TYR 24 CG -0.0036 -0.0100 -0.0078 2361 TYR 24 CD1 -0.0051 -0.0097 -0.0075 2362 TYR 24 CD2 -0.0026 -0.0111 -0.0075 2363 TYR 24 CE1 -0.0055 -0.0110 -0.0067 2364 TYR 24 CE2 -0.0031 -0.0124 -0.0067 2365 TYR 24 CZ -0.0044 -0.0119 -0.0066 2366 TYR 24 OH -0.0050 -0.0132 -0.0057 2367 GLY 25 N -0.0013 -0.0070 -0.0087 2368 GLY 25 CA -0.0012 -0.0070 -0.0090 2369 GLY 25 C -0.0010 -0.0067 -0.0087 2370 GLY 25 O -0.0012 -0.0068 -0.0086 2371 ALA 26 N -0.0008 -0.0063 -0.0084 2372 ALA 26 CA -0.0006 -0.0061 -0.0080 2373 ALA 26 C -0.0009 -0.0063 -0.0076 2374 ALA 26 O -0.0010 -0.0063 -0.0074 2375 ALA 26 CB -0.0003 -0.0056 -0.0078 2376 GLU 27 N -0.0012 -0.0066 -0.0073 2377 GLU 27 CA -0.0015 -0.0068 -0.0068 2378 GLU 27 C -0.0018 -0.0071 -0.0070 2379 GLU 27 O -0.0019 -0.0072 -0.0067 2380 GLU 27 CB -0.0017 -0.0070 -0.0066 2381 GLU 27 CG -0.0020 -0.0072 -0.0061 2382 GLU 27 CD -0.0022 -0.0074 -0.0059 2383 GLU 27 OE1 -0.0026 -0.0078 -0.0058 2384 GLU 27 OE2 -0.0021 -0.0072 -0.0059 2385 ALA 28 N -0.0012 -0.0062 -0.0048 2386 ALA 28 CA -0.0018 -0.0072 -0.0052 2387 ALA 28 C -0.0017 -0.0072 -0.0053 2388 ALA 28 O -0.0024 -0.0077 -0.0051 2389 ALA 28 CB -0.0015 -0.0076 -0.0061 2390 LEU 29 N -0.0009 -0.0066 -0.0057 2391 LEU 29 CA -0.0008 -0.0066 -0.0057 2392 LEU 29 C -0.0013 -0.0064 -0.0049 2393 LEU 29 O -0.0017 -0.0066 -0.0047 2394 LEU 29 CB 0.0002 -0.0060 -0.0063 2395 LEU 29 CG 0.0007 -0.0063 -0.0073 2396 LEU 29 CD1 0.0016 -0.0056 -0.0076 2397 LEU 29 CD2 0.0004 -0.0071 -0.0079 2398 GLU 30 N -0.0012 -0.0057 -0.0041 2399 GLU 30 CA -0.0016 -0.0053 -0.0031 2400 GLU 30 C -0.0026 -0.0060 -0.0028 2401 GLU 30 O -0.0030 -0.0060 -0.0024 2402 GLU 30 CB -0.0013 -0.0044 -0.0024 2403 GLU 30 CG -0.0017 -0.0041 -0.0015 2404 GLU 30 CD -0.0014 -0.0029 -0.0005 2405 GLU 30 OE1 -0.0009 -0.0028 -0.0011 2406 GLU 30 OE2 -0.0016 -0.0028 -0.0002 2407 ARG 31 N -0.0005 -0.0043 -0.0018 2408 ARG 31 CA -0.0002 -0.0044 -0.0017 2409 ARG 31 C -0.0001 -0.0043 -0.0014 2410 ARG 31 O 0.0000 -0.0043 -0.0013 2411 ARG 31 CB -0.0001 -0.0045 -0.0019 2412 ARG 31 CG -0.0001 -0.0046 -0.0022 2413 ARG 31 CD 0.0001 -0.0047 -0.0023 2414 ARG 31 NE 0.0001 -0.0049 -0.0026 2415 ARG 31 CZ 0.0003 -0.0050 -0.0027 2416 ARG 31 NH1 0.0005 -0.0050 -0.0026 2417 ARG 31 NH2 0.0002 -0.0051 -0.0030 2418 MET 32 N -0.0003 -0.0042 -0.0013 2419 MET 32 CA -0.0002 -0.0041 -0.0010 2420 MET 32 C -0.0003 -0.0040 -0.0008 2421 MET 32 O -0.0001 -0.0039 -0.0006 2422 MET 32 CB -0.0004 -0.0040 -0.0009 2423 MET 32 CG -0.0003 -0.0039 -0.0006 2424 MET 32 SD -0.0005 -0.0038 -0.0005 2425 MET 32 CE -0.0009 -0.0037 -0.0006 2426 PHE 33 N -0.0006 -0.0039 -0.0009 2427 PHE 33 CA -0.0007 -0.0038 -0.0007 2428 PHE 33 C -0.0005 -0.0039 -0.0007 2429 PHE 33 O -0.0005 -0.0038 -0.0005 2430 PHE 33 CB -0.0010 -0.0037 -0.0008 2431 PHE 33 CG -0.0012 -0.0037 -0.0008 2432 PHE 33 CD1 -0.0012 -0.0036 -0.0006 2433 PHE 33 CD2 -0.0014 -0.0037 -0.0010 2434 PHE 33 CE1 -0.0014 -0.0035 -0.0005 2435 PHE 33 CE2 -0.0016 -0.0036 -0.0010 2436 PHE 33 CZ -0.0016 -0.0035 -0.0007 2437 LEU 34 N -0.0005 -0.0023 0.0026 2438 LEU 34 CA -0.0001 -0.0023 0.0023 2439 LEU 34 C 0.0005 -0.0022 0.0025 2440 LEU 34 O 0.0007 -0.0021 0.0026 2441 LEU 34 CB -0.0001 -0.0026 0.0017 2442 LEU 34 CG -0.0006 -0.0027 0.0014 2443 LEU 34 CD1 -0.0006 -0.0029 0.0007 2444 LEU 34 CD2 -0.0010 -0.0027 0.0015 2445 SER 35 N 0.0008 -0.0021 0.0026 2446 SER 35 CA 0.0014 -0.0020 0.0028 2447 SER 35 C 0.0015 -0.0018 0.0034 2448 SER 35 O 0.0019 -0.0017 0.0036 2449 SER 35 CB 0.0017 -0.0020 0.0027 2450 SER 35 OG 0.0018 -0.0022 0.0021 2451 PHE 36 N 0.0010 -0.0017 0.0038 2452 PHE 36 CA 0.0011 -0.0015 0.0044 2453 PHE 36 C 0.0004 -0.0015 0.0046 2454 PHE 36 O 0.0000 -0.0015 0.0049 2455 PHE 36 CB 0.0011 -0.0014 0.0046 2456 PHE 36 CG 0.0017 -0.0014 0.0044 2457 PHE 36 CD1 0.0016 -0.0015 0.0041 2458 PHE 36 CD2 0.0023 -0.0013 0.0045 2459 PHE 36 CE1 0.0021 -0.0016 0.0038 2460 PHE 36 CE2 0.0027 -0.0013 0.0043 2461 PHE 36 CZ 0.0026 -0.0015 0.0039 2462 PRO 37 N 0.0035 -0.0003 0.0041 2463 PRO 37 CA 0.0039 -0.0000 0.0041 2464 PRO 37 C 0.0038 0.0008 0.0037 2465 PRO 37 O 0.0038 0.0011 0.0037 2466 PRO 37 CB 0.0047 -0.0001 0.0043 2467 PRO 37 CG 0.0048 -0.0004 0.0045 2468 PRO 37 CD 0.0040 -0.0006 0.0044 2469 THR 38 N 0.0036 0.0011 0.0036 2470 THR 38 CA 0.0033 0.0019 0.0032 2471 THR 38 C 0.0028 0.0020 0.0031 2472 THR 38 O 0.0027 0.0025 0.0028 2473 THR 38 CB 0.0034 0.0022 0.0031 2474 THR 38 OG1 0.0026 0.0019 0.0030 2475 THR 38 CG2 0.0033 0.0016 0.0033 2476 THR 39 N 0.0023 0.0014 0.0031 2477 THR 39 CA 0.0017 0.0014 0.0030 2478 THR 39 C 0.0020 0.0015 0.0030 2479 THR 39 O 0.0016 0.0017 0.0028 2480 THR 39 CB 0.0012 0.0008 0.0031 2481 THR 39 OG1 0.0014 0.0001 0.0034 2482 THR 39 CG2 0.0009 0.0008 0.0030 2483 LYS 40 N 0.0034 -0.0002 0.0041 2484 LYS 40 CA 0.0039 -0.0013 0.0042 2485 LYS 40 C 0.0042 -0.0017 0.0038 2486 LYS 40 O 0.0046 -0.0025 0.0040 2487 LYS 40 CB 0.0042 -0.0016 0.0036 2488 LYS 40 CG 0.0040 -0.0013 0.0040 2489 LYS 40 CD 0.0042 -0.0015 0.0031 2490 LYS 40 CE 0.0042 -0.0015 0.0033 2491 LYS 40 NZ 0.0044 -0.0018 0.0022 2492 THR 41 N 0.0040 -0.0012 0.0032 2493 THR 41 CA 0.0043 -0.0016 0.0027 2494 THR 41 C 0.0043 -0.0018 0.0035 2495 THR 41 O 0.0046 -0.0024 0.0033 2496 THR 41 CB 0.0040 -0.0009 0.0020 2497 THR 41 OG1 0.0036 -0.0002 0.0025 2498 THR 41 CG2 0.0040 -0.0006 0.0012 2499 TYR 42 N 0.0041 -0.0016 0.0045 2500 TYR 42 CA 0.0041 -0.0018 0.0052 2501 TYR 42 C 0.0045 -0.0027 0.0058 2502 TYR 42 O 0.0045 -0.0030 0.0065 2503 TYR 42 CB 0.0037 -0.0012 0.0060 2504 TYR 42 CG 0.0033 -0.0004 0.0054 2505 TYR 42 CD1 0.0033 -0.0003 0.0053 2506 TYR 42 CD2 0.0030 0.0004 0.0050 2507 TYR 42 CE1 0.0031 0.0003 0.0047 2508 TYR 42 CE2 0.0027 0.0011 0.0045 2509 TYR 42 CZ 0.0027 0.0011 0.0043 2510 TYR 42 OH 0.0024 0.0018 0.0039 2511 PHE 43 N 0.0034 -0.0094 0.0022 2512 PHE 43 CA 0.0035 -0.0097 0.0024 2513 PHE 43 C 0.0032 -0.0102 0.0018 2514 PHE 43 O 0.0031 -0.0101 0.0016 2515 PHE 43 CB 0.0036 -0.0089 0.0026 2516 PHE 43 CG 0.0039 -0.0084 0.0032 2517 PHE 43 CD1 0.0038 -0.0077 0.0030 2518 PHE 43 CD2 0.0043 -0.0085 0.0039 2519 PHE 43 CE1 0.0042 -0.0072 0.0036 2520 PHE 43 CE2 0.0045 -0.0080 0.0044 2521 PHE 43 CZ 0.0045 -0.0073 0.0043 2522 PRO 44 N 0.0031 -0.0109 0.0016 2523 PRO 44 CA 0.0027 -0.0113 0.0009 2524 PRO 44 C 0.0029 -0.0119 0.0013 2525 PRO 44 O 0.0027 -0.0121 0.0009 2526 PRO 44 CB 0.0026 -0.0118 0.0008 2527 PRO 44 CG 0.0030 -0.0119 0.0015 2528 PRO 44 CD 0.0032 -0.0110 0.0019 2529 HIS 45 N 0.0032 -0.0120 0.0019 2530 HIS 45 CA 0.0034 -0.0124 0.0023 2531 HIS 45 C 0.0034 -0.0120 0.0024 2532 HIS 45 O 0.0036 -0.0124 0.0028 2533 HIS 45 CB 0.0037 -0.0127 0.0030 2534 HIS 45 CG 0.0041 -0.0123 0.0037 2535 HIS 45 ND1 0.0039 -0.0117 0.0033 2536 HIS 45 CD2 0.0044 -0.0120 0.0043 2537 HIS 45 CE1 0.0042 -0.0114 0.0039 2538 HIS 45 NE2 0.0045 -0.0115 0.0045 2539 PHE 46 N 0.0026 -0.0068 -0.0010 2540 PHE 46 CA 0.0030 -0.0054 -0.0015 2541 PHE 46 C 0.0016 -0.0044 -0.0009 2542 PHE 46 O 0.0002 -0.0049 0.0000 2543 PHE 46 CB 0.0038 -0.0061 -0.0019 2544 PHE 46 CG 0.0054 -0.0063 -0.0027 2545 PHE 46 CD1 0.0064 -0.0061 -0.0034 2546 PHE 46 CD2 0.0064 -0.0070 -0.0032 2547 PHE 46 CE1 0.0081 -0.0066 -0.0043 2548 PHE 46 CE2 0.0074 -0.0071 -0.0038 2549 PHE 46 CZ 0.0088 -0.0074 -0.0046 2550 ASP 47 N 0.0016 -0.0025 -0.0012 2551 ASP 47 CA 0.0004 -0.0016 -0.0006 2552 ASP 47 C 0.0009 -0.0016 -0.0009 2553 ASP 47 O 0.0023 -0.0015 -0.0018 2554 ASP 47 CB 0.0008 0.0006 -0.0012 2555 ASP 47 CG -0.0009 0.0017 -0.0004 2556 ASP 47 OD1 -0.0009 0.0011 -0.0004 2557 ASP 47 OD2 -0.0007 0.0033 -0.0008 2558 LEU 48 N -0.0001 -0.0027 -0.0002 2559 LEU 48 CA 0.0005 -0.0031 -0.0004 2560 LEU 48 C -0.0002 -0.0020 -0.0002 2561 LEU 48 O -0.0002 -0.0021 -0.0002 2562 LEU 48 CB -0.0001 -0.0049 0.0003 2563 LEU 48 CG 0.0005 -0.0065 0.0002 2564 LEU 48 CD1 -0.0000 -0.0084 0.0008 2565 LEU 48 CD2 0.0025 -0.0068 -0.0010 2566 SER 49 N -0.0021 -0.0002 0.0000 2567 SER 49 CA -0.0031 0.0019 0.0009 2568 SER 49 C -0.0019 0.0021 0.0002 2569 SER 49 O -0.0000 0.0022 -0.0009 2570 SER 49 CB -0.0038 0.0037 0.0016 2571 SER 49 OG -0.0027 0.0040 0.0010 2572 HIS 50 N -0.0030 0.0034 0.0011 2573 HIS 50 CA -0.0020 0.0041 0.0006 2574 HIS 50 C -0.0001 0.0062 -0.0002 2575 HIS 50 O -0.0008 0.0074 0.0004 2576 HIS 50 CB -0.0035 0.0052 0.0016 2577 HIS 50 CG -0.0023 0.0055 0.0010 2578 HIS 50 ND1 -0.0021 0.0082 0.0013 2579 HIS 50 CD2 -0.0011 0.0050 0.0002 2580 HIS 50 CE1 -0.0008 0.0084 0.0006 2581 HIS 50 NE2 0.0001 0.0063 -0.0003 2582 GLY 51 N 0.0015 0.0059 -0.0012 2583 GLY 51 CA 0.0030 0.0073 -0.0019 2584 GLY 51 C 0.0042 0.0071 -0.0026 2585 GLY 51 O 0.0058 0.0081 -0.0034 2586 SER 52 N 0.0038 0.0048 -0.0025 2587 SER 52 CA 0.0048 0.0044 -0.0034 2588 SER 52 C 0.0068 0.0045 -0.0052 2589 SER 52 O 0.0080 0.0029 -0.0065 2590 SER 52 CB 0.0039 0.0020 -0.0027 2591 SER 52 OG 0.0049 0.0017 -0.0036 2592 ALA 53 N 0.0082 0.0064 -0.0065 2593 ALA 53 CA 0.0104 0.0062 -0.0086 2594 ALA 53 C 0.0112 0.0033 -0.0094 2595 ALA 53 O 0.0130 0.0028 -0.0111 2596 ALA 53 CB 0.0112 0.0089 -0.0091 2597 GLN 54 N 0.0097 0.0026 -0.0081 2598 GLN 54 CA 0.0104 -0.0001 -0.0088 2599 GLN 54 C 0.0107 -0.0028 -0.0093 2600 GLN 54 O 0.0122 -0.0044 -0.0107 2601 GLN 54 CB 0.0090 -0.0012 -0.0076 2602 GLN 54 CG 0.0091 0.0005 -0.0075 2603 GLN 54 CD 0.0074 -0.0002 -0.0060 2604 GLN 54 OE1 0.0056 -0.0004 -0.0043 2605 GLN 54 NE2 0.0083 -0.0012 -0.0069 2606 VAL 55 N 0.0079 -0.0023 -0.0078 2607 VAL 55 CA 0.0066 -0.0046 -0.0080 2608 VAL 55 C 0.0079 -0.0039 -0.0088 2609 VAL 55 O 0.0079 -0.0055 -0.0100 2610 VAL 55 CB 0.0045 -0.0046 -0.0058 2611 VAL 55 CG1 0.0036 -0.0063 -0.0060 2612 VAL 55 CG2 0.0035 -0.0053 -0.0053 2613 LYS 56 N 0.0087 -0.0017 -0.0081 2614 LYS 56 CA 0.0097 -0.0011 -0.0088 2615 LYS 56 C 0.0113 -0.0016 -0.0108 2616 LYS 56 O 0.0119 -0.0028 -0.0122 2617 LYS 56 CB 0.0105 0.0016 -0.0078 2618 LYS 56 CG 0.0086 0.0022 -0.0054 2619 LYS 56 CD 0.0106 0.0048 -0.0058 2620 LYS 56 CE 0.0076 0.0054 -0.0023 2621 LYS 56 NZ 0.0094 0.0082 -0.0023 2622 GLY 57 N 0.0124 -0.0013 -0.0118 2623 GLY 57 CA 0.0141 -0.0017 -0.0138 2624 GLY 57 C 0.0138 -0.0044 -0.0153 2625 GLY 57 O 0.0150 -0.0053 -0.0172 2626 HIS 58 N 0.0095 -0.0085 -0.0155 2627 HIS 58 CA 0.0086 -0.0088 -0.0166 2628 HIS 58 C 0.0072 -0.0090 -0.0160 2629 HIS 58 O 0.0067 -0.0092 -0.0168 2630 HIS 58 CB 0.0084 -0.0089 -0.0171 2631 HIS 58 CG 0.0076 -0.0092 -0.0183 2632 HIS 58 ND1 0.0081 -0.0093 -0.0194 2633 HIS 58 CD2 0.0066 -0.0094 -0.0186 2634 HIS 58 CE1 0.0070 -0.0096 -0.0202 2635 HIS 58 NE2 0.0060 -0.0097 -0.0198 2636 GLY 59 N 0.0069 -0.0089 -0.0149 2637 GLY 59 CA 0.0058 -0.0090 -0.0144 2638 GLY 59 C 0.0057 -0.0090 -0.0142 2639 GLY 59 O 0.0047 -0.0093 -0.0146 2640 LYS 60 N 0.0068 -0.0088 -0.0138 2641 LYS 60 CA 0.0071 -0.0088 -0.0139 2642 LYS 60 C 0.0069 -0.0089 -0.0151 2643 LYS 60 O 0.0063 -0.0091 -0.0154 2644 LYS 60 CB 0.0083 -0.0084 -0.0130 2645 LYS 60 CG 0.0083 -0.0085 -0.0131 2646 LYS 60 CD 0.0092 -0.0082 -0.0121 2647 LYS 60 CE 0.0087 -0.0082 -0.0119 2648 LYS 60 NZ 0.0098 -0.0082 -0.0135 2649 LYS 61 N 0.0099 -0.0092 -0.0147 2650 LYS 61 CA 0.0097 -0.0095 -0.0173 2651 LYS 61 C 0.0057 -0.0089 -0.0187 2652 LYS 61 O 0.0048 -0.0088 -0.0193 2653 LYS 61 CB 0.0115 -0.0102 -0.0203 2654 LYS 61 CG 0.0147 -0.0107 -0.0195 2655 LYS 61 CD 0.0169 -0.0114 -0.0219 2656 LYS 61 CE 0.0210 -0.0119 -0.0204 2657 LYS 61 NZ 0.0216 -0.0125 -0.0244 2658 VAL 62 N 0.0040 -0.0086 -0.0190 2659 VAL 62 CA 0.0006 -0.0081 -0.0199 2660 VAL 62 C -0.0018 -0.0074 -0.0179 2661 VAL 62 O -0.0034 -0.0072 -0.0186 2662 VAL 62 CB -0.0006 -0.0080 -0.0206 2663 VAL 62 CG1 -0.0041 -0.0073 -0.0209 2664 VAL 62 CG2 0.0011 -0.0086 -0.0235 2665 ALA 63 N -0.0006 -0.0073 -0.0146 2666 ALA 63 CA -0.0024 -0.0066 -0.0117 2667 ALA 63 C -0.0022 -0.0066 -0.0119 2668 ALA 63 O -0.0039 -0.0063 -0.0114 2669 ALA 63 CB -0.0018 -0.0063 -0.0083 2670 ASP 64 N -0.0003 -0.0060 -0.0089 2671 ASP 64 CA 0.0003 -0.0062 -0.0073 2672 ASP 64 C 0.0002 -0.0060 -0.0072 2673 ASP 64 O 0.0004 -0.0053 -0.0061 2674 ASP 64 CB 0.0010 -0.0080 -0.0067 2675 ASP 64 CG 0.0014 -0.0086 -0.0062 2676 ASP 64 OD1 0.0010 -0.0075 -0.0062 2677 ASP 64 OD2 0.0018 -0.0099 -0.0064 2678 ALA 65 N -0.0001 -0.0065 -0.0086 2679 ALA 65 CA -0.0002 -0.0061 -0.0087 2680 ALA 65 C -0.0008 -0.0042 -0.0084 2681 ALA 65 O -0.0007 -0.0035 -0.0076 2682 ALA 65 CB -0.0005 -0.0066 -0.0103 2683 LEU 66 N -0.0013 -0.0031 -0.0091 2684 LEU 66 CA -0.0019 -0.0013 -0.0091 2685 LEU 66 C -0.0016 -0.0006 -0.0074 2686 LEU 66 O -0.0017 0.0005 -0.0066 2687 LEU 66 CB -0.0026 -0.0006 -0.0103 2688 LEU 66 CG -0.0030 -0.0009 -0.0122 2689 LEU 66 CD1 -0.0034 -0.0007 -0.0131 2690 LEU 66 CD2 -0.0034 -0.0000 -0.0124 2691 THR 67 N 0.0016 -0.0003 -0.0050 2692 THR 67 CA 0.0026 0.0005 -0.0043 2693 THR 67 C 0.0035 -0.0002 -0.0033 2694 THR 67 O 0.0043 0.0005 -0.0027 2695 THR 67 CB 0.0023 0.0003 -0.0045 2696 THR 67 OG1 0.0016 0.0011 -0.0055 2697 THR 67 CG2 0.0035 0.0009 -0.0037 2698 ASN 68 N 0.0033 -0.0017 -0.0030 2699 ASN 68 CA 0.0041 -0.0022 -0.0021 2700 ASN 68 C 0.0044 -0.0019 -0.0019 2701 ASN 68 O 0.0055 -0.0018 -0.0009 2702 ASN 68 CB 0.0037 -0.0038 -0.0019 2703 ASN 68 CG 0.0046 -0.0047 -0.0008 2704 ASN 68 OD1 0.0053 -0.0044 -0.0002 2705 ASN 68 ND2 0.0042 -0.0061 -0.0007 2706 ALA 69 N 0.0036 -0.0019 -0.0026 2707 ALA 69 CA 0.0039 -0.0015 -0.0025 2708 ALA 69 C 0.0047 0.0000 -0.0023 2709 ALA 69 O 0.0053 0.0001 -0.0017 2710 ALA 69 CB 0.0028 -0.0017 -0.0034 2711 VAL 70 N 0.0030 0.0019 -0.0002 2712 VAL 70 CA 0.0032 0.0041 0.0009 2713 VAL 70 C 0.0068 0.0039 0.0011 2714 VAL 70 O 0.0063 0.0038 0.0010 2715 VAL 70 CB 0.0022 0.0065 0.0021 2716 VAL 70 CG1 0.0022 0.0084 0.0030 2717 VAL 70 CG2 -0.0011 0.0066 0.0019 2718 ALA 71 N 0.0083 0.0040 0.0013 2719 ALA 71 CA 0.0119 0.0039 0.0015 2720 ALA 71 C 0.0120 0.0020 0.0006 2721 ALA 71 O 0.0142 0.0016 0.0005 2722 ALA 71 CB 0.0135 0.0044 0.0019 2723 HIS 72 N 0.0111 -0.0004 -0.0007 2724 HIS 72 CA 0.0110 -0.0027 -0.0019 2725 HIS 72 C 0.0095 -0.0040 -0.0026 2726 HIS 72 O 0.0084 -0.0066 -0.0040 2727 HIS 72 CB 0.0126 -0.0054 -0.0031 2728 HIS 72 CG 0.0147 -0.0046 -0.0025 2729 HIS 72 ND1 0.0185 -0.0050 -0.0024 2730 HIS 72 CD2 0.0158 -0.0025 -0.0014 2731 HIS 72 CE1 0.0196 -0.0042 -0.0020 2732 HIS 72 NE2 0.0189 -0.0025 -0.0012 2733 VAL 73 N 0.0117 0.0017 0.0025 2734 VAL 73 CA 0.0084 0.0002 0.0021 2735 VAL 73 C 0.0081 -0.0030 -0.0005 2736 VAL 73 O 0.0055 -0.0047 -0.0012 2737 VAL 73 CB 0.0050 0.0020 0.0047 2738 VAL 73 CG1 0.0069 0.0027 0.0048 2739 VAL 73 CG2 0.0018 0.0005 0.0043 2740 ASP 74 N 0.0109 -0.0030 -0.0013 2741 ASP 74 CA 0.0108 -0.0060 -0.0039 2742 ASP 74 C 0.0121 -0.0084 -0.0063 2743 ASP 74 O 0.0124 -0.0099 -0.0076 2744 ASP 74 CB 0.0125 -0.0051 -0.0036 2745 ASP 74 CG 0.0115 -0.0035 -0.0019 2746 ASP 74 OD1 0.0077 -0.0034 -0.0007 2747 ASP 74 OD2 0.0124 -0.0015 -0.0004 2748 ASP 75 N 0.0137 -0.0070 -0.0055 2749 ASP 75 CA 0.0157 -0.0091 -0.0079 2750 ASP 75 C 0.0155 -0.0075 -0.0065 2751 ASP 75 O 0.0177 -0.0078 -0.0074 2752 ASP 75 CB 0.0197 -0.0082 -0.0083 2753 ASP 75 CG 0.0226 -0.0099 -0.0106 2754 ASP 75 OD1 0.0213 -0.0125 -0.0125 2755 ASP 75 OD2 0.0248 -0.0075 -0.0092 2756 MET 76 N 0.0113 -0.0079 -0.0081 2757 MET 76 CA 0.0096 -0.0060 -0.0060 2758 MET 76 C 0.0097 -0.0072 -0.0065 2759 MET 76 O 0.0101 -0.0046 -0.0059 2760 MET 76 CB 0.0060 -0.0063 -0.0032 2761 MET 76 CG 0.0062 -0.0033 -0.0023 2762 MET 76 SD 0.0012 -0.0036 0.0018 2763 MET 76 CE -0.0000 -0.0082 0.0011 2764 PRO 77 N 0.0094 -0.0112 -0.0076 2765 PRO 77 CA 0.0100 -0.0120 -0.0084 2766 PRO 77 C 0.0124 -0.0103 -0.0098 2767 PRO 77 O 0.0123 -0.0089 -0.0093 2768 PRO 77 CB 0.0094 -0.0169 -0.0097 2769 PRO 77 CG 0.0081 -0.0186 -0.0092 2770 PRO 77 CD 0.0094 -0.0146 -0.0089 2771 ASN 78 N 0.0155 -0.0093 -0.0120 2772 ASN 78 CA 0.0183 -0.0064 -0.0133 2773 ASN 78 C 0.0185 -0.0031 -0.0123 2774 ASN 78 O 0.0191 -0.0006 -0.0120 2775 ASN 78 CB 0.0217 -0.0082 -0.0168 2776 ASN 78 CG 0.0253 -0.0058 -0.0189 2777 ASN 78 OD1 0.0250 -0.0063 -0.0188 2778 ASN 78 ND2 0.0271 -0.0023 -0.0191 2779 ALA 79 N 0.0106 -0.0007 -0.0103 2780 ALA 79 CA 0.0096 0.0022 -0.0103 2781 ALA 79 C 0.0074 0.0037 -0.0076 2782 ALA 79 O 0.0067 0.0064 -0.0078 2783 ALA 79 CB 0.0096 0.0026 -0.0105 2784 LEU 80 N 0.0067 0.0016 -0.0055 2785 LEU 80 CA 0.0047 0.0026 -0.0028 2786 LEU 80 C 0.0041 0.0015 -0.0014 2787 LEU 80 O 0.0025 0.0021 0.0007 2788 LEU 80 CB 0.0040 0.0008 -0.0010 2789 LEU 80 CG 0.0044 0.0012 -0.0018 2790 LEU 80 CD1 0.0036 -0.0004 0.0003 2791 LEU 80 CD2 0.0036 0.0043 -0.0020 2792 SER 81 N 0.0054 0.0011 -0.0033 2793 SER 81 CA 0.0049 0.0001 -0.0021 2794 SER 81 C 0.0032 0.0026 -0.0006 2795 SER 81 O 0.0021 0.0017 0.0015 2796 SER 81 CB 0.0068 0.0003 -0.0050 2797 SER 81 OG 0.0065 -0.0017 -0.0036 2798 ALA 82 N -0.0006 0.0059 -0.0015 2799 ALA 82 CA -0.0015 0.0071 -0.0005 2800 ALA 82 C -0.0023 0.0073 0.0010 2801 ALA 82 O -0.0031 0.0078 0.0022 2802 ALA 82 CB -0.0016 0.0088 -0.0017 2803 LEU 83 N -0.0022 0.0069 0.0009 2804 LEU 83 CA -0.0030 0.0071 0.0024 2805 LEU 83 C -0.0029 0.0054 0.0036 2806 LEU 83 O -0.0038 0.0057 0.0052 2807 LEU 83 CB -0.0026 0.0067 0.0019 2808 LEU 83 CG -0.0030 0.0086 0.0013 2809 LEU 83 CD1 -0.0027 0.0082 0.0011 2810 LEU 83 CD2 -0.0040 0.0100 0.0023 2811 SER 84 N -0.0022 0.0041 0.0032 2812 SER 84 CA -0.0022 0.0027 0.0043 2813 SER 84 C -0.0027 0.0030 0.0052 2814 SER 84 O -0.0033 0.0026 0.0066 2815 SER 84 CB -0.0012 0.0006 0.0040 2816 SER 84 OG -0.0008 0.0008 0.0030 2817 ASP 85 N -0.0032 0.0052 0.0055 2818 ASP 85 CA -0.0040 0.0051 0.0063 2819 ASP 85 C -0.0050 0.0054 0.0063 2820 ASP 85 O -0.0055 0.0052 0.0070 2821 ASP 85 CB -0.0041 0.0052 0.0061 2822 ASP 85 CG -0.0033 0.0048 0.0063 2823 ASP 85 OD1 -0.0027 0.0044 0.0067 2824 ASP 85 OD2 -0.0033 0.0050 0.0059 2825 LEU 86 N -0.0052 0.0059 0.0054 2826 LEU 86 CA -0.0061 0.0063 0.0054 2827 LEU 86 C -0.0064 0.0061 0.0058 2828 LEU 86 O -0.0070 0.0061 0.0063 2829 LEU 86 CB -0.0063 0.0068 0.0044 2830 LEU 86 CG -0.0074 0.0073 0.0042 2831 LEU 86 CD1 -0.0082 0.0073 0.0047 2832 LEU 86 CD2 -0.0074 0.0078 0.0032 2833 HIS 87 N -0.0056 0.0060 0.0056 2834 HIS 87 CA -0.0057 0.0059 0.0058 2835 HIS 87 C -0.0056 0.0052 0.0070 2836 HIS 87 O -0.0061 0.0052 0.0074 2837 HIS 87 CB -0.0049 0.0059 0.0053 2838 HIS 87 CG -0.0051 0.0065 0.0044 2839 HIS 87 ND1 -0.0050 0.0068 0.0037 2840 HIS 87 CD2 -0.0056 0.0068 0.0040 2841 HIS 87 CE1 -0.0053 0.0073 0.0029 2842 HIS 87 NE2 -0.0056 0.0073 0.0031 2843 ALA 88 N -0.0045 0.0049 0.0053 2844 ALA 88 CA -0.0043 0.0046 0.0062 2845 ALA 88 C -0.0052 0.0049 0.0071 2846 ALA 88 O -0.0052 0.0047 0.0079 2847 ALA 88 CB -0.0037 0.0042 0.0063 2848 HIS 89 N -0.0058 0.0053 0.0067 2849 HIS 89 CA -0.0066 0.0057 0.0072 2850 HIS 89 C -0.0074 0.0061 0.0072 2851 HIS 89 O -0.0080 0.0063 0.0080 2852 HIS 89 CB -0.0065 0.0057 0.0071 2853 HIS 89 CG -0.0056 0.0051 0.0074 2854 HIS 89 ND1 -0.0052 0.0047 0.0082 2855 HIS 89 CD2 -0.0052 0.0050 0.0067 2856 HIS 89 CE1 -0.0045 0.0044 0.0079 2857 HIS 89 NE2 -0.0043 0.0044 0.0071 2858 LYS 90 N -0.0076 0.0064 0.0066 2859 LYS 90 CA -0.0083 0.0069 0.0063 2860 LYS 90 C -0.0084 0.0069 0.0064 2861 LYS 90 O -0.0088 0.0069 0.0071 2862 LYS 90 CB -0.0089 0.0073 0.0055 2863 LYS 90 CG -0.0097 0.0078 0.0056 2864 LYS 90 CD -0.0100 0.0082 0.0045 2865 LYS 90 CE -0.0112 0.0088 0.0048 2866 LYS 90 NZ -0.0117 0.0091 0.0045 2867 LEU 91 N -0.0056 0.0061 0.0038 2868 LEU 91 CA -0.0053 0.0059 0.0041 2869 LEU 91 C -0.0052 0.0059 0.0042 2870 LEU 91 O -0.0049 0.0059 0.0044 2871 LEU 91 CB -0.0056 0.0054 0.0042 2872 LEU 91 CG -0.0057 0.0054 0.0041 2873 LEU 91 CD1 -0.0060 0.0050 0.0042 2874 LEU 91 CD2 -0.0053 0.0055 0.0043 2875 ARG 92 N -0.0055 0.0059 0.0040 2876 ARG 92 CA -0.0055 0.0060 0.0040 2877 ARG 92 C -0.0052 0.0057 0.0043 2878 ARG 92 O -0.0050 0.0058 0.0044 2879 ARG 92 CB -0.0052 0.0065 0.0039 2880 ARG 92 CG -0.0055 0.0067 0.0035 2881 ARG 92 CD -0.0053 0.0072 0.0034 2882 ARG 92 NE -0.0055 0.0073 0.0032 2883 ARG 92 CZ -0.0050 0.0081 0.0032 2884 ARG 92 NH1 -0.0049 0.0077 0.0034 2885 ARG 92 NH2 -0.0052 0.0080 0.0030 2886 VAL 93 N -0.0054 0.0053 0.0044 2887 VAL 93 CA -0.0052 0.0049 0.0047 2888 VAL 93 C -0.0054 0.0048 0.0047 2889 VAL 93 O -0.0058 0.0047 0.0045 2890 VAL 93 CB -0.0055 0.0045 0.0048 2891 VAL 93 CG1 -0.0054 0.0041 0.0051 2892 VAL 93 CG2 -0.0053 0.0046 0.0048 2893 ASP 94 N -0.0028 0.0025 0.0049 2894 ASP 94 CA -0.0028 0.0029 0.0049 2895 ASP 94 C -0.0033 0.0023 0.0050 2896 ASP 94 O -0.0032 0.0015 0.0051 2897 ASP 94 CB -0.0017 0.0031 0.0048 2898 ASP 94 CG -0.0016 0.0038 0.0047 2899 ASP 94 OD1 -0.0015 0.0045 0.0046 2900 ASP 94 OD2 -0.0018 0.0033 0.0048 2901 PRO 95 N -0.0038 0.0029 0.0049 2902 PRO 95 CA -0.0044 0.0023 0.0050 2903 PRO 95 C -0.0039 0.0018 0.0051 2904 PRO 95 O -0.0044 0.0010 0.0052 2905 PRO 95 CB -0.0049 0.0031 0.0049 2906 PRO 95 CG -0.0049 0.0038 0.0048 2907 PRO 95 CD -0.0040 0.0039 0.0048 2908 VAL 96 N -0.0029 0.0017 0.0050 2909 VAL 96 CA -0.0024 0.0011 0.0051 2910 VAL 96 C -0.0024 0.0001 0.0052 2911 VAL 96 O -0.0024 -0.0007 0.0053 2912 VAL 96 CB -0.0014 0.0014 0.0050 2913 VAL 96 CG1 -0.0015 0.0024 0.0049 2914 VAL 96 CG2 -0.0007 0.0014 0.0050 2915 ASN 97 N -0.0015 0.0009 0.0048 2916 ASN 97 CA -0.0017 -0.0003 0.0042 2917 ASN 97 C -0.0024 -0.0009 0.0042 2918 ASN 97 O -0.0025 -0.0020 0.0036 2919 ASN 97 CB -0.0023 -0.0005 0.0043 2920 ASN 97 CG -0.0014 -0.0001 0.0042 2921 ASN 97 OD1 -0.0004 -0.0006 0.0036 2922 ASN 97 ND2 -0.0016 0.0009 0.0048 2923 PHE 98 N -0.0032 -0.0003 0.0048 2924 PHE 98 CA -0.0040 -0.0008 0.0048 2925 PHE 98 C -0.0032 -0.0013 0.0043 2926 PHE 98 O -0.0036 -0.0022 0.0039 2927 PHE 98 CB -0.0049 -0.0001 0.0055 2928 PHE 98 CG -0.0058 0.0002 0.0060 2929 PHE 98 CD1 -0.0070 -0.0006 0.0060 2930 PHE 98 CD2 -0.0056 0.0008 0.0062 2931 PHE 98 CE1 -0.0079 -0.0006 0.0063 2932 PHE 98 CE2 -0.0067 0.0008 0.0066 2933 PHE 98 CZ -0.0078 0.0002 0.0067 2934 LYS 99 N -0.0021 -0.0006 0.0042 2935 LYS 99 CA -0.0013 -0.0010 0.0037 2936 LYS 99 C -0.0009 -0.0022 0.0030 2937 LYS 99 O -0.0006 -0.0028 0.0026 2938 LYS 99 CB -0.0002 0.0001 0.0039 2939 LYS 99 CG 0.0004 0.0003 0.0038 2940 LYS 99 CD 0.0017 0.0015 0.0039 2941 LYS 99 CE 0.0030 0.0005 0.0029 2942 LYS 99 NZ 0.0042 0.0013 0.0029 2943 LEU 100 N -0.0012 -0.0021 0.0001 2944 LEU 100 CA -0.0010 -0.0025 -0.0002 2945 LEU 100 C -0.0018 -0.0029 -0.0010 2946 LEU 100 O -0.0015 -0.0036 -0.0016 2947 LEU 100 CB -0.0009 -0.0019 0.0005 2948 LEU 100 CG -0.0002 -0.0014 0.0013 2949 LEU 100 CD1 -0.0002 -0.0008 0.0018 2950 LEU 100 CD2 0.0008 -0.0020 0.0012 2951 LEU 101 N -0.0028 -0.0024 -0.0011 2952 LEU 101 CA -0.0035 -0.0028 -0.0019 2953 LEU 101 C -0.0034 -0.0036 -0.0026 2954 LEU 101 O -0.0035 -0.0042 -0.0033 2955 LEU 101 CB -0.0046 -0.0022 -0.0019 2956 LEU 101 CG -0.0054 -0.0025 -0.0027 2957 LEU 101 CD1 -0.0053 -0.0030 -0.0031 2958 LEU 101 CD2 -0.0064 -0.0019 -0.0026 2959 SER 102 N -0.0031 -0.0035 -0.0023 2960 SER 102 CA -0.0031 -0.0041 -0.0029 2961 SER 102 C -0.0021 -0.0049 -0.0032 2962 SER 102 O -0.0023 -0.0056 -0.0040 2963 SER 102 CB -0.0027 -0.0038 -0.0024 2964 SER 102 OG -0.0035 -0.0031 -0.0022 2965 HIS 103 N -0.0016 -0.0014 -0.0024 2966 HIS 103 CA -0.0007 -0.0023 -0.0027 2967 HIS 103 C -0.0011 -0.0026 -0.0032 2968 HIS 103 O -0.0009 -0.0035 -0.0039 2969 HIS 103 CB 0.0002 -0.0020 -0.0019 2970 HIS 103 CG 0.0011 -0.0027 -0.0020 2971 HIS 103 ND1 0.0014 -0.0026 -0.0017 2972 HIS 103 CD2 0.0017 -0.0035 -0.0023 2973 HIS 103 CE1 0.0023 -0.0035 -0.0020 2974 HIS 103 NE2 0.0026 -0.0040 -0.0023 2975 CYS 104 N -0.0017 -0.0021 -0.0031 2976 CYS 104 CA -0.0021 -0.0025 -0.0036 2977 CYS 104 C -0.0029 -0.0029 -0.0046 2978 CYS 104 O -0.0030 -0.0036 -0.0052 2979 CYS 104 CB -0.0025 -0.0017 -0.0032 2980 CYS 104 SG -0.0014 -0.0014 -0.0023 2981 LEU 105 N -0.0036 -0.0025 -0.0046 2982 LEU 105 CA -0.0042 -0.0030 -0.0054 2983 LEU 105 C -0.0036 -0.0040 -0.0059 2984 LEU 105 O -0.0039 -0.0046 -0.0067 2985 LEU 105 CB -0.0050 -0.0025 -0.0053 2986 LEU 105 CG -0.0060 -0.0025 -0.0060 2987 LEU 105 CD1 -0.0069 -0.0019 -0.0059 2988 LEU 105 CD2 -0.0065 -0.0012 -0.0051 2989 LEU 106 N -0.0041 -0.0011 -0.0041 2990 LEU 106 CA -0.0036 -0.0014 -0.0044 2991 LEU 106 C -0.0031 -0.0022 -0.0050 2992 LEU 106 O -0.0032 -0.0028 -0.0053 2993 LEU 106 CB -0.0030 -0.0004 -0.0041 2994 LEU 106 CG -0.0035 0.0003 -0.0036 2995 LEU 106 CD1 -0.0027 0.0010 -0.0035 2996 LEU 106 CD2 -0.0043 -0.0000 -0.0034 2997 VAL 107 N -0.0024 -0.0022 -0.0053 2998 VAL 107 CA -0.0018 -0.0029 -0.0059 2999 VAL 107 C -0.0024 -0.0040 -0.0062 3000 VAL 107 O -0.0024 -0.0048 -0.0066 3001 VAL 107 CB -0.0010 -0.0028 -0.0061 3002 VAL 107 CG1 -0.0006 -0.0037 -0.0067 3003 VAL 107 CG2 -0.0002 -0.0019 -0.0059 3004 THR 108 N -0.0034 -0.0040 -0.0058 3005 THR 108 CA -0.0040 -0.0049 -0.0061 3006 THR 108 C -0.0046 -0.0052 -0.0060 3007 THR 108 O -0.0048 -0.0061 -0.0064 3008 THR 108 CB -0.0049 -0.0047 -0.0056 3009 THR 108 OG1 -0.0043 -0.0043 -0.0056 3010 THR 108 CG2 -0.0057 -0.0056 -0.0058 3011 LEU 109 N -0.0047 -0.0030 -0.0069 3012 LEU 109 CA -0.0051 -0.0030 -0.0066 3013 LEU 109 C -0.0046 -0.0032 -0.0071 3014 LEU 109 O -0.0048 -0.0035 -0.0071 3015 LEU 109 CB -0.0054 -0.0023 -0.0061 3016 LEU 109 CG -0.0060 -0.0023 -0.0056 3017 LEU 109 CD1 -0.0061 -0.0015 -0.0052 3018 LEU 109 CD2 -0.0064 -0.0030 -0.0055 3019 ALA 110 N -0.0040 -0.0026 -0.0074 3020 ALA 110 CA -0.0035 -0.0025 -0.0078 3021 ALA 110 C -0.0035 -0.0033 -0.0081 3022 ALA 110 O -0.0033 -0.0037 -0.0084 3023 ALA 110 CB -0.0029 -0.0019 -0.0080 3024 ALA 111 N -0.0034 -0.0038 -0.0084 3025 ALA 111 CA -0.0032 -0.0045 -0.0088 3026 ALA 111 C -0.0038 -0.0052 -0.0086 3027 ALA 111 O -0.0036 -0.0058 -0.0090 3028 ALA 111 CB -0.0031 -0.0047 -0.0090 3029 HIS 112 N -0.0044 -0.0062 -0.0104 3030 HIS 112 CA -0.0053 -0.0073 -0.0095 3031 HIS 112 C -0.0058 -0.0066 -0.0087 3032 HIS 112 O -0.0065 -0.0075 -0.0080 3033 HIS 112 CB -0.0060 -0.0078 -0.0088 3034 HIS 112 CG -0.0055 -0.0089 -0.0096 3035 HIS 112 ND1 -0.0048 -0.0085 -0.0103 3036 HIS 112 CD2 -0.0054 -0.0104 -0.0099 3037 HIS 112 CE1 -0.0046 -0.0097 -0.0109 3038 HIS 112 NE2 -0.0049 -0.0110 -0.0107 3039 LEU 113 N -0.0059 -0.0053 -0.0083 3040 LEU 113 CA -0.0065 -0.0044 -0.0075 3041 LEU 113 C -0.0057 -0.0034 -0.0083 3042 LEU 113 O -0.0061 -0.0023 -0.0077 3043 LEU 113 CB -0.0070 -0.0035 -0.0067 3044 LEU 113 CG -0.0077 -0.0043 -0.0060 3045 LEU 113 CD1 -0.0080 -0.0025 -0.0052 3046 LEU 113 CD2 -0.0082 -0.0055 -0.0055 3047 PRO 114 N -0.0053 -0.0041 -0.0089 3048 PRO 114 CA -0.0044 -0.0035 -0.0100 3049 PRO 114 C -0.0053 -0.0024 -0.0087 3050 PRO 114 O -0.0052 -0.0008 -0.0085 3051 PRO 114 CB -0.0040 -0.0048 -0.0107 3052 PRO 114 CG -0.0050 -0.0059 -0.0096 3053 PRO 114 CD -0.0055 -0.0059 -0.0091 3054 ALA 115 N -0.0058 -0.0012 -0.0086 3055 ALA 115 CA -0.0057 -0.0006 -0.0080 3056 ALA 115 C -0.0057 0.0001 -0.0069 3057 ALA 115 O -0.0052 0.0011 -0.0063 3058 ALA 115 CB -0.0062 -0.0012 -0.0081 3059 GLU 116 N -0.0065 0.0001 -0.0060 3060 GLU 116 CA -0.0068 0.0008 -0.0045 3061 GLU 116 C -0.0062 0.0017 -0.0042 3062 GLU 116 O -0.0060 0.0026 -0.0033 3063 GLU 116 CB -0.0080 0.0000 -0.0039 3064 GLU 116 CG -0.0089 -0.0019 -0.0053 3065 GLU 116 CD -0.0092 -0.0017 -0.0046 3066 GLU 116 OE1 -0.0089 -0.0009 -0.0040 3067 GLU 116 OE2 -0.0094 -0.0027 -0.0057 3068 PHE 117 N -0.0058 0.0015 -0.0050 3069 PHE 117 CA -0.0050 0.0024 -0.0049 3070 PHE 117 C -0.0038 0.0034 -0.0052 3071 PHE 117 O -0.0031 0.0036 -0.0060 3072 PHE 117 CB -0.0051 0.0018 -0.0056 3073 PHE 117 CG -0.0049 0.0023 -0.0052 3074 PHE 117 CD1 -0.0057 0.0024 -0.0039 3075 PHE 117 CD2 -0.0039 0.0028 -0.0059 3076 PHE 117 CE1 -0.0054 0.0030 -0.0035 3077 PHE 117 CE2 -0.0036 0.0035 -0.0054 3078 PHE 117 CZ -0.0044 0.0035 -0.0043 3079 THR 118 N -0.0037 0.0078 -0.0032 3080 THR 118 CA -0.0032 0.0080 -0.0033 3081 THR 118 C -0.0031 0.0081 -0.0028 3082 THR 118 O -0.0034 0.0080 -0.0025 3083 THR 118 CB -0.0030 0.0082 -0.0031 3084 THR 118 OG1 -0.0031 0.0081 -0.0035 3085 THR 118 CG2 -0.0030 0.0082 -0.0027 3086 PRO 119 N -0.0027 0.0083 -0.0029 3087 PRO 119 CA -0.0025 0.0084 -0.0024 3088 PRO 119 C -0.0026 0.0084 -0.0019 3089 PRO 119 O -0.0028 0.0083 -0.0015 3090 PRO 119 CB -0.0020 0.0086 -0.0025 3091 PRO 119 CG -0.0020 0.0086 -0.0032 3092 PRO 119 CD -0.0023 0.0084 -0.0034 3093 ALA 120 N -0.0025 0.0085 -0.0018 3094 ALA 120 CA -0.0025 0.0085 -0.0013 3095 ALA 120 C -0.0030 0.0083 -0.0012 3096 ALA 120 O -0.0031 0.0082 -0.0006 3097 ALA 120 CB -0.0023 0.0086 -0.0013 3098 VAL 121 N -0.0035 0.0080 -0.0014 3099 VAL 121 CA -0.0038 0.0075 -0.0013 3100 VAL 121 C -0.0042 0.0071 -0.0013 3101 VAL 121 O -0.0042 0.0067 -0.0010 3102 VAL 121 CB -0.0039 0.0077 -0.0015 3103 VAL 121 CG1 -0.0042 0.0072 -0.0014 3104 VAL 121 CG2 -0.0034 0.0080 -0.0012 3105 HIS 122 N -0.0044 0.0073 -0.0017 3106 HIS 122 CA -0.0048 0.0069 -0.0019 3107 HIS 122 C -0.0047 0.0066 -0.0014 3108 HIS 122 O -0.0049 0.0061 -0.0013 3109 HIS 122 CB -0.0050 0.0072 -0.0024 3110 HIS 122 CG -0.0054 0.0070 -0.0026 3111 HIS 122 ND1 -0.0056 0.0072 -0.0031 3112 HIS 122 CD2 -0.0056 0.0065 -0.0024 3113 HIS 122 CE1 -0.0059 0.0069 -0.0032 3114 HIS 122 NE2 -0.0060 0.0064 -0.0028 3115 ALA 123 N -0.0043 0.0069 -0.0013 3116 ALA 123 CA -0.0041 0.0067 -0.0009 3117 ALA 123 C -0.0040 0.0063 -0.0004 3118 ALA 123 O -0.0041 0.0059 -0.0001 3119 ALA 123 CB -0.0037 0.0072 -0.0008 3120 SER 124 N -0.0030 0.0071 0.0007 3121 SER 124 CA -0.0028 0.0063 0.0019 3122 SER 124 C -0.0040 0.0051 0.0017 3123 SER 124 O -0.0039 0.0042 0.0027 3124 SER 124 CB -0.0021 0.0069 0.0020 3125 SER 124 OG -0.0010 0.0081 0.0022 3126 LEU 125 N -0.0046 0.0052 0.0007 3127 LEU 125 CA -0.0057 0.0041 0.0005 3128 LEU 125 C -0.0064 0.0032 0.0006 3129 LEU 125 O -0.0068 0.0021 0.0014 3130 LEU 125 CB -0.0065 0.0044 -0.0007 3131 LEU 125 CG -0.0062 0.0047 -0.0007 3132 LEU 125 CD1 -0.0067 0.0053 -0.0021 3133 LEU 125 CD2 -0.0064 0.0037 0.0002 3134 ASP 126 N -0.0063 0.0037 0.0002 3135 ASP 126 CA -0.0069 0.0030 0.0003 3136 ASP 126 C -0.0063 0.0025 0.0016 3137 ASP 126 O -0.0069 0.0014 0.0021 3138 ASP 126 CB -0.0068 0.0039 -0.0006 3139 ASP 126 CG -0.0077 0.0031 -0.0009 3140 ASP 126 OD1 -0.0085 0.0023 -0.0010 3141 ASP 126 OD2 -0.0073 0.0032 -0.0004 3142 LYS 127 N -0.0047 0.0012 0.0008 3143 LYS 127 CA -0.0041 0.0005 0.0014 3144 LYS 127 C -0.0038 -0.0001 0.0018 3145 LYS 127 O -0.0037 -0.0012 0.0022 3146 LYS 127 CB -0.0032 0.0012 0.0018 3147 LYS 127 CG -0.0034 0.0017 0.0015 3148 LYS 127 CD -0.0025 0.0024 0.0019 3149 LYS 127 CE -0.0018 0.0017 0.0027 3150 LYS 127 NZ -0.0009 0.0023 0.0031 3151 PHE 128 N -0.0036 0.0003 0.0018 3152 PHE 128 CA -0.0033 -0.0003 0.0022 3153 PHE 128 C -0.0042 -0.0013 0.0019 3154 PHE 128 O -0.0039 -0.0022 0.0024 3155 PHE 128 CB -0.0029 0.0003 0.0023 3156 PHE 128 CG -0.0028 -0.0003 0.0025 3157 PHE 128 CD1 -0.0020 -0.0008 0.0033 3158 PHE 128 CD2 -0.0035 -0.0001 0.0020 3159 PHE 128 CE1 -0.0021 -0.0012 0.0034 3160 PHE 128 CE2 -0.0034 -0.0008 0.0023 3161 PHE 128 CZ -0.0026 -0.0013 0.0030 3162 LEU 129 N -0.0049 -0.0010 0.0013 3163 LEU 129 CA -0.0057 -0.0019 0.0010 3164 LEU 129 C -0.0059 -0.0027 0.0011 3165 LEU 129 O -0.0061 -0.0038 0.0013 3166 LEU 129 CB -0.0066 -0.0015 0.0003 3167 LEU 129 CG -0.0064 -0.0009 0.0002 3168 LEU 129 CD1 -0.0071 -0.0002 -0.0005 3169 LEU 129 CD2 -0.0063 -0.0014 0.0004 3170 ALA 130 N -0.0060 -0.0045 0.0039 3171 ALA 130 CA -0.0062 -0.0062 0.0041 3172 ALA 130 C -0.0049 -0.0071 0.0038 3173 ALA 130 O -0.0050 -0.0084 0.0040 3174 ALA 130 CB -0.0064 -0.0071 0.0043 3175 SER 131 N -0.0036 -0.0067 0.0034 3176 SER 131 CA -0.0021 -0.0076 0.0030 3177 SER 131 C -0.0019 -0.0069 0.0029 3178 SER 131 O -0.0016 -0.0081 0.0029 3179 SER 131 CB -0.0004 -0.0068 0.0024 3180 SER 131 OG -0.0006 -0.0074 0.0025 3181 VAL 132 N -0.0024 -0.0054 0.0029 3182 VAL 132 CA -0.0025 -0.0049 0.0028 3183 VAL 132 C -0.0037 -0.0060 0.0033 3184 VAL 132 O -0.0034 -0.0067 0.0033 3185 VAL 132 CB -0.0029 -0.0032 0.0028 3186 VAL 132 CG1 -0.0033 -0.0028 0.0029 3187 VAL 132 CG2 -0.0014 -0.0020 0.0021 3188 SER 133 N -0.0046 -0.0035 0.0044 3189 SER 133 CA -0.0058 -0.0043 0.0058 3190 SER 133 C -0.0052 -0.0061 0.0058 3191 SER 133 O -0.0059 -0.0060 0.0064 3192 SER 133 CB -0.0070 -0.0049 0.0072 3193 SER 133 OG -0.0076 -0.0028 0.0072 3194 THR 134 N -0.0043 -0.0075 0.0053 3195 THR 134 CA -0.0036 -0.0093 0.0052 3196 THR 134 C -0.0027 -0.0088 0.0042 3197 THR 134 O -0.0031 -0.0095 0.0047 3198 THR 134 CB -0.0025 -0.0107 0.0046 3199 THR 134 OG1 -0.0034 -0.0115 0.0056 3200 THR 134 CG2 -0.0017 -0.0126 0.0043 3201 VAL 135 N -0.0020 -0.0075 0.0030 3202 VAL 135 CA -0.0011 -0.0070 0.0020 3203 VAL 135 C -0.0024 -0.0060 0.0030 3204 VAL 135 O -0.0021 -0.0063 0.0028 3205 VAL 135 CB 0.0000 -0.0056 0.0005 3206 VAL 135 CG1 0.0007 -0.0046 -0.0005 3207 VAL 135 CG2 0.0012 -0.0068 -0.0003 3208 LEU 136 N -0.0029 -0.0003 0.0040 3209 LEU 136 CA -0.0032 0.0007 0.0045 3210 LEU 136 C -0.0032 0.0007 0.0053 3211 LEU 136 O -0.0034 0.0016 0.0056 3212 LEU 136 CB -0.0032 0.0009 0.0048 3213 LEU 136 CG -0.0033 0.0011 0.0039 3214 LEU 136 CD1 -0.0034 0.0016 0.0045 3215 LEU 136 CD2 -0.0035 0.0019 0.0033 3216 THR 137 N -0.0030 -0.0002 0.0057 3217 THR 137 CA -0.0030 -0.0001 0.0067 3218 THR 137 C -0.0029 -0.0005 0.0062 3219 THR 137 O -0.0029 -0.0005 0.0069 3220 THR 137 CB -0.0028 -0.0008 0.0075 3221 THR 137 OG1 -0.0026 -0.0017 0.0072 3222 THR 137 CG2 -0.0030 -0.0002 0.0080 3223 SER 138 N -0.0028 -0.0008 0.0053 3224 SER 138 CA -0.0027 -0.0012 0.0049 3225 SER 138 C -0.0029 -0.0004 0.0051 3226 SER 138 O -0.0028 -0.0010 0.0049 3227 SER 138 CB -0.0028 -0.0008 0.0033 3228 SER 138 OG -0.0026 -0.0017 0.0037 3229 LYS 139 N -0.0022 0.0034 0.0065 3230 LYS 139 CA -0.0019 0.0027 0.0064 3231 LYS 139 C -0.0022 0.0023 0.0059 3232 LYS 139 O -0.0020 0.0018 0.0057 3233 LYS 139 CB -0.0014 0.0026 0.0068 3234 LYS 139 CG -0.0010 0.0029 0.0073 3235 LYS 139 CD -0.0005 0.0028 0.0076 3236 LYS 139 CE -0.0000 0.0030 0.0081 3237 LYS 139 NZ 0.0002 0.0031 0.0084 3238 TYR 140 N -0.0028 0.0026 0.0056 3239 TYR 140 CA -0.0031 0.0023 0.0051 3240 TYR 140 C -0.0032 0.0018 0.0048 3241 TYR 140 O -0.0032 0.0013 0.0044 3242 TYR 140 CB -0.0037 0.0028 0.0049 3243 TYR 140 CG -0.0037 0.0030 0.0051 3244 TYR 140 CD1 -0.0041 0.0031 0.0048 3245 TYR 140 CD2 -0.0033 0.0033 0.0056 3246 TYR 140 CE1 -0.0041 0.0033 0.0049 3247 TYR 140 CE2 -0.0033 0.0036 0.0057 3248 TYR 140 CZ -0.0037 0.0036 0.0054 3249 TYR 140 OH -0.0038 0.0038 0.0055 3250 ARG 141 N -0.0032 0.0019 0.0048 3251 ARG 141 CA -0.0033 0.0014 0.0044 3252 ARG 141 C -0.0030 0.0014 0.0046 3253 ARG 141 O -0.0030 0.0019 0.0050 3254 ARG 141 CB -0.0040 0.0014 0.0039 3255 ARG 141 CG -0.0043 0.0021 0.0039 3256 ARG 141 CD -0.0049 0.0019 0.0033 3257 ARG 141 NE -0.0053 0.0025 0.0034 3258 ARG 141 CZ -0.0058 0.0026 0.0030 3259 ARG 141 NH1 -0.0061 0.0022 0.0025 3260 ARG 141 NH2 -0.0061 0.0032 0.0031 3261 ARG 141 OXT -0.0031 0.0010 0.0043 3262 VAL 1 N 0.0205 0.0130 0.0265 3263 VAL 1 CA 0.0160 0.0150 0.0264 3264 VAL 1 C 0.0149 0.0144 0.0254 3265 VAL 1 O 0.0170 0.0118 0.0239 3266 VAL 1 CB 0.0129 0.0135 0.0237 3267 VAL 1 CG1 0.0127 0.0144 0.0245 3268 VAL 1 CG2 0.0137 0.0110 0.0218 3269 HIS 2 N 0.0119 0.0157 0.0254 3270 HIS 2 CA 0.0097 0.0156 0.0244 3271 HIS 2 C 0.0071 0.0134 0.0213 3272 HIS 2 O 0.0035 0.0156 0.0219 3273 HIS 2 CB 0.0105 0.0191 0.0279 3274 HIS 2 CG 0.0101 0.0185 0.0272 3275 HIS 2 ND1 0.0035 0.0203 0.0261 3276 HIS 2 CD2 0.0103 0.0167 0.0256 3277 HIS 2 CE1 0.0014 0.0187 0.0238 3278 HIS 2 NE2 0.0062 0.0168 0.0241 3279 LEU 3 N 0.0086 0.0111 0.0198 3280 LEU 3 CA 0.0062 0.0094 0.0172 3281 LEU 3 C 0.0045 0.0107 0.0177 3282 LEU 3 O 0.0074 0.0082 0.0166 3283 LEU 3 CB 0.0069 0.0062 0.0146 3284 LEU 3 CG 0.0071 0.0068 0.0152 3285 LEU 3 CD1 0.0075 0.0037 0.0126 3286 LEU 3 CD2 0.0040 0.0075 0.0145 3287 THR 4 N -0.0061 -0.0014 0.0103 3288 THR 4 CA -0.0097 -0.0107 0.0042 3289 THR 4 C -0.0066 -0.0146 -0.0071 3290 THR 4 O -0.0032 -0.0071 -0.0031 3291 THR 4 CB -0.0212 -0.0209 0.0116 3292 THR 4 OG1 -0.0225 -0.0212 0.0134 3293 THR 4 CG2 -0.0242 -0.0196 0.0190 3294 PRO 5 N -0.0060 -0.0193 -0.0148 3295 PRO 5 CA -0.0003 -0.0173 -0.0227 3296 PRO 5 C -0.0058 -0.0229 -0.0202 3297 PRO 5 O -0.0038 -0.0214 -0.0219 3298 PRO 5 CB -0.0066 -0.0335 -0.0334 3299 PRO 5 CG -0.0074 -0.0336 -0.0322 3300 PRO 5 CD -0.0069 -0.0257 -0.0220 3301 GLU 6 N -0.0143 -0.0281 -0.0116 3302 GLU 6 CA -0.0195 -0.0338 -0.0097 3303 GLU 6 C -0.0171 -0.0202 0.0047 3304 GLU 6 O -0.0170 -0.0215 0.0026 3305 GLU 6 CB -0.0301 -0.0410 0.0001 3306 GLU 6 CG -0.0325 -0.0428 0.0021 3307 GLU 6 CD -0.0330 -0.0507 -0.0079 3308 GLU 6 OE1 -0.0285 -0.0466 -0.0109 3309 GLU 6 OE2 -0.0256 -0.0347 0.0005 3310 GLU 7 N -0.0123 -0.0052 0.0048 3311 GLU 7 CA -0.0095 -0.0029 0.0078 3312 GLU 7 C -0.0043 -0.0016 0.0045 3313 GLU 7 O -0.0030 -0.0010 0.0044 3314 GLU 7 CB -0.0088 -0.0012 0.0122 3315 GLU 7 CG -0.0142 -0.0025 0.0158 3316 GLU 7 CD -0.0138 -0.0013 0.0191 3317 GLU 7 OE1 -0.0157 -0.0009 0.0228 3318 GLU 7 OE2 -0.0110 0.0005 0.0204 3319 LYS 8 N -0.0032 -0.0015 0.0030 3320 LYS 8 CA 0.0020 0.0001 0.0003 3321 LYS 8 C 0.0026 -0.0009 -0.0035 3322 LYS 8 O 0.0047 -0.0003 -0.0047 3323 LYS 8 CB 0.0019 -0.0005 -0.0012 3324 LYS 8 CG 0.0076 0.0018 -0.0025 3325 LYS 8 CD 0.0092 0.0023 -0.0031 3326 LYS 8 CE 0.0149 0.0037 -0.0072 3327 LYS 8 NZ 0.0180 0.0051 -0.0075 3328 SER 9 N -0.0010 -0.0034 -0.0060 3329 SER 9 CA -0.0007 -0.0044 -0.0093 3330 SER 9 C -0.0014 -0.0042 -0.0078 3331 SER 9 O 0.0004 -0.0044 -0.0110 3332 SER 9 CB -0.0036 -0.0069 -0.0129 3333 SER 9 OG -0.0065 -0.0088 -0.0145 3334 ALA 10 N -0.0018 -0.0031 -0.0017 3335 ALA 10 CA -0.0029 -0.0034 -0.0007 3336 ALA 10 C 0.0002 -0.0006 0.0006 3337 ALA 10 O 0.0006 -0.0007 -0.0001 3338 ALA 10 CB -0.0044 -0.0027 0.0026 3339 VAL 11 N 0.0020 0.0011 0.0016 3340 VAL 11 CA 0.0048 0.0036 0.0028 3341 VAL 11 C 0.0072 0.0037 0.0000 3342 VAL 11 O 0.0080 0.0045 0.0004 3343 VAL 11 CB 0.0060 0.0052 0.0044 3344 VAL 11 CG1 0.0086 0.0071 0.0048 3345 VAL 11 CG2 0.0036 0.0056 0.0082 3346 THR 12 N 0.0076 0.0028 -0.0024 3347 THR 12 CA 0.0105 0.0030 -0.0056 3348 THR 12 C 0.0096 0.0016 -0.0072 3349 THR 12 O 0.0113 0.0022 -0.0082 3350 THR 12 CB 0.0104 0.0015 -0.0084 3351 THR 12 OG1 0.0123 0.0038 -0.0064 3352 THR 12 CG2 0.0120 0.0012 -0.0111 3353 ALA 13 N 0.0086 -0.0017 -0.0080 3354 ALA 13 CA 0.0073 -0.0037 -0.0085 3355 ALA 13 C 0.0063 -0.0032 -0.0074 3356 ALA 13 O 0.0066 -0.0036 -0.0080 3357 ALA 13 CB 0.0059 -0.0054 -0.0088 3358 LEU 14 N 0.0050 -0.0015 -0.0053 3359 LEU 14 CA 0.0042 -0.0009 -0.0042 3360 LEU 14 C 0.0060 0.0009 -0.0042 3361 LEU 14 O 0.0055 0.0006 -0.0041 3362 LEU 14 CB 0.0021 0.0003 -0.0019 3363 LEU 14 CG 0.0007 0.0009 -0.0004 3364 LEU 14 CD1 -0.0014 -0.0015 -0.0007 3365 LEU 14 CD2 -0.0004 0.0024 0.0014 3366 TRP 15 N 0.0078 0.0023 -0.0046 3367 TRP 15 CA 0.0094 0.0043 -0.0042 3368 TRP 15 C 0.0109 0.0031 -0.0062 3369 TRP 15 O 0.0115 0.0038 -0.0061 3370 TRP 15 CB 0.0110 0.0060 -0.0042 3371 TRP 15 CG 0.0124 0.0082 -0.0036 3372 TRP 15 CD1 0.0147 0.0089 -0.0047 3373 TRP 15 CD2 0.0113 0.0100 -0.0015 3374 TRP 15 NE1 0.0153 0.0110 -0.0037 3375 TRP 15 CE2 0.0134 0.0120 -0.0016 3376 TRP 15 CE3 0.0092 0.0102 0.0002 3377 TRP 15 CZ2 0.0129 0.0139 0.0001 3378 TRP 15 CZ3 0.0089 0.0125 0.0020 3379 TRP 15 CH2 0.0111 0.0141 0.0016 3380 GLY 16 N 0.0130 -0.0028 -0.0074 3381 GLY 16 CA 0.0141 -0.0054 -0.0083 3382 GLY 16 C 0.0121 -0.0068 -0.0091 3383 GLY 16 O 0.0131 -0.0089 -0.0098 3384 LYS 17 N 0.0093 -0.0066 -0.0092 3385 LYS 17 CA 0.0070 -0.0078 -0.0099 3386 LYS 17 C 0.0062 -0.0073 -0.0098 3387 LYS 17 O 0.0045 -0.0072 -0.0099 3388 LYS 17 CB 0.0041 -0.0078 -0.0102 3389 LYS 17 CG 0.0049 -0.0088 -0.0105 3390 LYS 17 CD 0.0021 -0.0088 -0.0108 3391 LYS 17 CE 0.0007 -0.0083 -0.0107 3392 LYS 17 NZ -0.0022 -0.0108 -0.0119 3393 VAL 18 N 0.0074 -0.0046 -0.0086 3394 VAL 18 CA 0.0066 -0.0027 -0.0079 3395 VAL 18 C 0.0083 -0.0044 -0.0084 3396 VAL 18 O 0.0107 -0.0045 -0.0083 3397 VAL 18 CB 0.0071 -0.0003 -0.0069 3398 VAL 18 CG1 0.0071 0.0014 -0.0062 3399 VAL 18 CG2 0.0050 0.0014 -0.0064 3400 ASN 19 N 0.0026 -0.0044 -0.0063 3401 ASN 19 CA 0.0032 -0.0055 -0.0063 3402 ASN 19 C 0.0041 -0.0037 -0.0056 3403 ASN 19 O 0.0014 -0.0023 -0.0064 3404 ASN 19 CB 0.0012 -0.0082 -0.0076 3405 ASN 19 CG 0.0034 -0.0109 -0.0073 3406 ASN 19 OD1 0.0032 -0.0094 -0.0071 3407 ASN 19 ND2 0.0006 -0.0130 -0.0088 3408 VAL 20 N 0.0062 -0.0030 -0.0045 3409 VAL 20 CA 0.0065 -0.0002 -0.0038 3410 VAL 20 C 0.0050 0.0001 -0.0045 3411 VAL 20 O 0.0037 0.0018 -0.0046 3412 VAL 20 CB 0.0108 0.0015 -0.0017 3413 VAL 20 CG1 0.0107 0.0015 -0.0018 3414 VAL 20 CG2 0.0101 0.0015 -0.0020 3415 ASP 21 N 0.0054 -0.0030 -0.0049 3416 ASP 21 CA 0.0030 -0.0037 -0.0060 3417 ASP 21 C 0.0008 -0.0036 -0.0069 3418 ASP 21 O -0.0008 -0.0012 -0.0071 3419 ASP 21 CB 0.0039 -0.0071 -0.0063 3420 ASP 21 CG 0.0078 -0.0081 -0.0049 3421 ASP 21 OD1 0.0104 -0.0058 -0.0034 3422 ASP 21 OD2 0.0082 -0.0102 -0.0051 3423 GLU 22 N 0.0016 -0.0041 -0.0060 3424 GLU 22 CA -0.0007 -0.0040 -0.0069 3425 GLU 22 C -0.0015 -0.0010 -0.0061 3426 GLU 22 O -0.0032 -0.0003 -0.0065 3427 GLU 22 CB -0.0014 -0.0055 -0.0077 3428 GLU 22 CG -0.0023 -0.0049 -0.0078 3429 GLU 22 CD -0.0052 -0.0065 -0.0096 3430 GLU 22 OE1 -0.0050 -0.0068 -0.0097 3431 GLU 22 OE2 -0.0051 -0.0079 -0.0101 3432 VAL 23 N -0.0010 -0.0004 -0.0057 3433 VAL 23 CA -0.0017 0.0019 -0.0051 3434 VAL 23 C -0.0010 0.0034 -0.0043 3435 VAL 23 O -0.0023 0.0051 -0.0042 3436 VAL 23 CB -0.0008 0.0025 -0.0045 3437 VAL 23 CG1 -0.0011 0.0047 -0.0038 3438 VAL 23 CG2 -0.0022 0.0012 -0.0056 3439 GLY 24 N 0.0008 0.0032 -0.0036 3440 GLY 24 CA 0.0017 0.0044 -0.0028 3441 GLY 24 C 0.0003 0.0044 -0.0034 3442 GLY 24 O -0.0005 0.0061 -0.0031 3443 GLY 25 N -0.0013 0.0029 -0.0007 3444 GLY 25 CA -0.0016 0.0028 -0.0009 3445 GLY 25 C -0.0021 0.0031 -0.0010 3446 GLY 25 O -0.0023 0.0033 -0.0010 3447 GLU 26 N -0.0024 0.0032 -0.0012 3448 GLU 26 CA -0.0029 0.0034 -0.0014 3449 GLU 26 C -0.0029 0.0041 -0.0010 3450 GLU 26 O -0.0033 0.0043 -0.0011 3451 GLU 26 CB -0.0032 0.0034 -0.0016 3452 GLU 26 CG -0.0037 0.0030 -0.0022 3453 GLU 26 CD -0.0038 0.0037 -0.0018 3454 GLU 26 OE1 -0.0043 0.0035 -0.0023 3455 GLU 26 OE2 -0.0039 0.0034 -0.0021 3456 ALA 27 N -0.0027 0.0042 -0.0007 3457 ALA 27 CA -0.0026 0.0048 -0.0004 3458 ALA 27 C -0.0026 0.0049 -0.0002 3459 ALA 27 O -0.0028 0.0053 -0.0002 3460 ALA 27 CB -0.0024 0.0050 -0.0001 3461 LEU 28 N -0.0048 0.0041 -0.0004 3462 LEU 28 CA -0.0046 0.0038 -0.0002 3463 LEU 28 C -0.0042 0.0037 -0.0003 3464 LEU 28 O -0.0040 0.0034 -0.0002 3465 LEU 28 CB -0.0045 0.0037 -0.0001 3466 LEU 28 CG -0.0043 0.0033 0.0001 3467 LEU 28 CD1 -0.0046 0.0031 0.0004 3468 LEU 28 CD2 -0.0043 0.0032 0.0001 3469 GLY 29 N -0.0040 0.0039 -0.0007 3470 GLY 29 CA -0.0036 0.0039 -0.0008 3471 GLY 29 C -0.0036 0.0039 -0.0008 3472 GLY 29 O -0.0034 0.0036 -0.0008 3473 ARG 30 N -0.0039 0.0041 -0.0008 3474 ARG 30 CA -0.0040 0.0041 -0.0008 3475 ARG 30 C -0.0040 0.0037 -0.0005 3476 ARG 30 O -0.0039 0.0036 -0.0004 3477 ARG 30 CB -0.0043 0.0044 -0.0009 3478 ARG 30 CG -0.0041 0.0047 -0.0012 3479 ARG 30 CD -0.0044 0.0050 -0.0013 3480 ARG 30 NE -0.0044 0.0053 -0.0016 3481 ARG 30 CZ -0.0042 0.0054 -0.0018 3482 ARG 30 NH1 -0.0041 0.0057 -0.0021 3483 ARG 30 NH2 -0.0042 0.0054 -0.0017 3484 LEU 31 N -0.0034 0.0013 0.0027 3485 LEU 31 CA -0.0035 0.0011 0.0023 3486 LEU 31 C -0.0037 0.0006 0.0016 3487 LEU 31 O -0.0036 0.0006 0.0010 3488 LEU 31 CB -0.0038 0.0009 0.0028 3489 LEU 31 CG -0.0039 0.0007 0.0024 3490 LEU 31 CD1 -0.0034 0.0011 0.0022 3491 LEU 31 CD2 -0.0043 0.0003 0.0028 3492 LEU 32 N -0.0042 0.0002 0.0019 3493 LEU 32 CA -0.0045 -0.0003 0.0013 3494 LEU 32 C -0.0042 -0.0002 0.0008 3495 LEU 32 O -0.0043 -0.0005 0.0001 3496 LEU 32 CB -0.0050 -0.0007 0.0017 3497 LEU 32 CG -0.0054 -0.0009 0.0021 3498 LEU 32 CD1 -0.0059 -0.0013 0.0026 3499 LEU 32 CD2 -0.0055 -0.0011 0.0019 3500 VAL 33 N -0.0038 0.0003 0.0009 3501 VAL 33 CA -0.0035 0.0005 0.0004 3502 VAL 33 C -0.0031 0.0007 -0.0001 3503 VAL 33 O -0.0029 0.0006 -0.0007 3504 VAL 33 CB -0.0033 0.0008 0.0009 3505 VAL 33 CG1 -0.0029 0.0010 0.0003 3506 VAL 33 CG2 -0.0038 0.0004 0.0012 3507 VAL 34 N -0.0039 0.0007 0.0018 3508 VAL 34 CA -0.0036 0.0009 0.0016 3509 VAL 34 C -0.0037 0.0001 0.0016 3510 VAL 34 O -0.0034 0.0000 0.0013 3511 VAL 34 CB -0.0039 0.0019 0.0019 3512 VAL 34 CG1 -0.0038 0.0020 0.0018 3513 VAL 34 CG2 -0.0037 0.0027 0.0018 3514 TYR 35 N -0.0043 -0.0004 0.0021 3515 TYR 35 CA -0.0045 -0.0013 0.0022 3516 TYR 35 C -0.0046 -0.0021 0.0023 3517 TYR 35 O -0.0052 -0.0024 0.0028 3518 TYR 35 CB -0.0052 -0.0011 0.0029 3519 TYR 35 CG -0.0052 -0.0003 0.0030 3520 TYR 35 CD1 -0.0048 -0.0002 0.0026 3521 TYR 35 CD2 -0.0056 0.0004 0.0033 3522 TYR 35 CE1 -0.0048 0.0005 0.0026 3523 TYR 35 CE2 -0.0055 0.0012 0.0033 3524 TYR 35 CZ -0.0052 0.0013 0.0030 3525 TYR 35 OH -0.0051 0.0022 0.0030 3526 PRO 36 N -0.0040 -0.0024 0.0017 3527 PRO 36 CA -0.0041 -0.0032 0.0017 3528 PRO 36 C -0.0044 -0.0041 0.0020 3529 PRO 36 O -0.0047 -0.0046 0.0021 3530 PRO 36 CB -0.0033 -0.0032 0.0010 3531 PRO 36 CG -0.0029 -0.0028 0.0007 3532 PRO 36 CD -0.0034 -0.0023 0.0011 3533 TRP 37 N -0.0060 -0.0066 0.0031 3534 TRP 37 CA -0.0060 -0.0069 0.0034 3535 TRP 37 C -0.0059 -0.0071 0.0042 3536 TRP 37 O -0.0059 -0.0077 0.0046 3537 TRP 37 CB -0.0059 -0.0063 0.0033 3538 TRP 37 CG -0.0057 -0.0055 0.0036 3539 TRP 37 CD1 -0.0056 -0.0052 0.0043 3540 TRP 37 CD2 -0.0057 -0.0048 0.0032 3541 TRP 37 NE1 -0.0055 -0.0045 0.0044 3542 TRP 37 CE2 -0.0055 -0.0042 0.0037 3543 TRP 37 CE3 -0.0058 -0.0047 0.0024 3544 TRP 37 CZ2 -0.0054 -0.0034 0.0035 3545 TRP 37 CZ3 -0.0057 -0.0040 0.0022 3546 TRP 37 CH2 -0.0055 -0.0034 0.0028 3547 THR 38 N -0.0058 -0.0069 0.0046 3548 THR 38 CA -0.0057 -0.0071 0.0054 3549 THR 38 C -0.0058 -0.0080 0.0055 3550 THR 38 O -0.0058 -0.0083 0.0062 3551 THR 38 CB -0.0056 -0.0066 0.0058 3552 THR 38 OG1 -0.0057 -0.0067 0.0054 3553 THR 38 CG2 -0.0055 -0.0058 0.0059 3554 GLN 39 N -0.0060 -0.0083 0.0048 3555 GLN 39 CA -0.0061 -0.0091 0.0049 3556 GLN 39 C -0.0061 -0.0097 0.0050 3557 GLN 39 O -0.0062 -0.0103 0.0052 3558 GLN 39 CB -0.0062 -0.0093 0.0040 3559 GLN 39 CG -0.0062 -0.0089 0.0038 3560 GLN 39 CD -0.0063 -0.0091 0.0030 3561 GLN 39 OE1 -0.0065 -0.0097 0.0026 3562 GLN 39 NE2 -0.0063 -0.0086 0.0027 3563 ARG 40 N -0.0060 -0.0098 0.0054 3564 ARG 40 CA -0.0062 -0.0092 0.0047 3565 ARG 40 C -0.0062 -0.0089 0.0042 3566 ARG 40 O -0.0066 -0.0081 0.0037 3567 ARG 40 CB -0.0058 -0.0095 0.0041 3568 ARG 40 CG -0.0054 -0.0099 0.0035 3569 ARG 40 CD -0.0052 -0.0101 0.0031 3570 ARG 40 NE -0.0054 -0.0096 0.0027 3571 ARG 40 CZ -0.0055 -0.0090 0.0019 3572 ARG 40 NH1 -0.0053 -0.0093 0.0014 3573 ARG 40 NH2 -0.0058 -0.0086 0.0018 3574 PHE 41 N -0.0059 -0.0093 0.0040 3575 PHE 41 CA -0.0059 -0.0091 0.0034 3576 PHE 41 C -0.0063 -0.0087 0.0040 3577 PHE 41 O -0.0062 -0.0085 0.0034 3578 PHE 41 CB -0.0053 -0.0098 0.0029 3579 PHE 41 CG -0.0050 -0.0101 0.0024 3580 PHE 41 CD1 -0.0047 -0.0109 0.0028 3581 PHE 41 CD2 -0.0050 -0.0098 0.0016 3582 PHE 41 CE1 -0.0044 -0.0110 0.0021 3583 PHE 41 CE2 -0.0047 -0.0100 0.0011 3584 PHE 41 CZ -0.0044 -0.0107 0.0015 3585 PHE 42 N -0.0065 -0.0087 0.0048 3586 PHE 42 CA -0.0066 -0.0086 0.0052 3587 PHE 42 C -0.0072 -0.0079 0.0057 3588 PHE 42 O -0.0074 -0.0079 0.0066 3589 PHE 42 CB -0.0064 -0.0093 0.0058 3590 PHE 42 CG -0.0058 -0.0099 0.0051 3591 PHE 42 CD1 -0.0054 -0.0107 0.0052 3592 PHE 42 CD2 -0.0057 -0.0099 0.0046 3593 PHE 42 CE1 -0.0049 -0.0112 0.0046 3594 PHE 42 CE2 -0.0053 -0.0104 0.0041 3595 PHE 42 CZ -0.0048 -0.0111 0.0041 3596 GLU 43 N -0.0120 -0.0084 0.0041 3597 GLU 43 CA -0.0106 -0.0086 0.0038 3598 GLU 43 C -0.0106 -0.0078 0.0038 3599 GLU 43 O -0.0096 -0.0077 0.0035 3600 GLU 43 CB -0.0106 -0.0097 0.0039 3601 GLU 43 CG -0.0108 -0.0105 0.0040 3602 GLU 43 CD -0.0097 -0.0113 0.0037 3603 GLU 43 OE1 -0.0081 -0.0109 0.0033 3604 GLU 43 OE2 -0.0092 -0.0127 0.0037 3605 SER 44 N -0.0120 -0.0076 0.0041 3606 SER 44 CA -0.0125 -0.0069 0.0042 3607 SER 44 C -0.0121 -0.0056 0.0040 3608 SER 44 O -0.0122 -0.0046 0.0040 3609 SER 44 CB -0.0138 -0.0069 0.0045 3610 SER 44 OG -0.0147 -0.0063 0.0047 3611 PHE 45 N -0.0116 -0.0047 0.0039 3612 PHE 45 CA -0.0114 -0.0031 0.0038 3613 PHE 45 C -0.0098 -0.0026 0.0033 3614 PHE 45 O -0.0100 -0.0012 0.0033 3615 PHE 45 CB -0.0116 -0.0029 0.0038 3616 PHE 45 CG -0.0131 -0.0026 0.0041 3617 PHE 45 CD1 -0.0133 -0.0018 0.0041 3618 PHE 45 CD2 -0.0141 -0.0031 0.0044 3619 PHE 45 CE1 -0.0149 -0.0016 0.0045 3620 PHE 45 CE2 -0.0155 -0.0030 0.0047 3621 PHE 45 CZ -0.0160 -0.0022 0.0048 3622 GLY 46 N -0.0118 -0.0064 0.0028 3623 GLY 46 CA -0.0108 -0.0059 0.0025 3624 GLY 46 C -0.0091 -0.0058 0.0018 3625 GLY 46 O -0.0093 -0.0068 0.0017 3626 ASP 47 N -0.0086 -0.0045 0.0018 3627 ASP 47 CA -0.0070 -0.0056 0.0009 3628 ASP 47 C -0.0071 -0.0041 0.0012 3629 ASP 47 O -0.0075 -0.0029 0.0017 3630 ASP 47 CB -0.0065 -0.0038 0.0010 3631 ASP 47 CG -0.0048 -0.0038 0.0003 3632 ASP 47 OD1 -0.0045 -0.0026 0.0004 3633 ASP 47 OD2 -0.0045 -0.0048 -0.0001 3634 LEU 48 N -0.0068 -0.0051 0.0009 3635 LEU 48 CA -0.0068 -0.0046 0.0010 3636 LEU 48 C -0.0052 -0.0045 0.0003 3637 LEU 48 O -0.0051 -0.0050 0.0002 3638 LEU 48 CB -0.0075 -0.0057 0.0011 3639 LEU 48 CG -0.0089 -0.0052 0.0018 3640 LEU 48 CD1 -0.0099 -0.0064 0.0020 3641 LEU 48 CD2 -0.0094 -0.0038 0.0023 3642 SER 49 N -0.0036 -0.0058 -0.0011 3643 SER 49 CA -0.0017 -0.0073 -0.0021 3644 SER 49 C 0.0004 -0.0050 -0.0029 3645 SER 49 O 0.0012 -0.0056 -0.0033 3646 SER 49 CB -0.0000 -0.0079 -0.0029 3647 SER 49 OG 0.0006 -0.0059 -0.0030 3648 THR 50 N -0.0004 -0.0029 -0.0024 3649 THR 50 CA 0.0005 -0.0015 -0.0027 3650 THR 50 C -0.0009 0.0011 -0.0019 3651 THR 50 O -0.0026 0.0012 -0.0010 3652 THR 50 CB 0.0024 0.0006 -0.0034 3653 THR 50 OG1 0.0014 0.0022 -0.0029 3654 THR 50 CG2 0.0040 -0.0012 -0.0043 3655 PRO 51 N -0.0003 0.0026 -0.0020 3656 PRO 51 CA -0.0015 0.0045 -0.0013 3657 PRO 51 C -0.0024 0.0061 -0.0008 3658 PRO 51 O -0.0045 0.0070 0.0002 3659 PRO 51 CB -0.0000 0.0060 -0.0019 3660 PRO 51 CG 0.0011 0.0040 -0.0026 3661 PRO 51 CD 0.0019 0.0021 -0.0031 3662 ASP 52 N -0.0008 0.0066 -0.0014 3663 ASP 52 CA -0.0019 0.0083 -0.0001 3664 ASP 52 C -0.0037 0.0066 0.0004 3665 ASP 52 O -0.0048 0.0077 0.0014 3666 ASP 52 CB -0.0002 0.0086 -0.0010 3667 ASP 52 CG 0.0020 0.0103 -0.0018 3668 ASP 52 OD1 0.0015 0.0110 -0.0012 3669 ASP 52 OD2 0.0032 0.0073 -0.0036 3670 ALA 53 N -0.0035 0.0048 -0.0004 3671 ALA 53 CA -0.0049 0.0033 -0.0001 3672 ALA 53 C -0.0070 0.0030 0.0011 3673 ALA 53 O -0.0082 0.0033 0.0020 3674 ALA 53 CB -0.0049 0.0013 -0.0008 3675 VAL 54 N -0.0065 0.0024 0.0006 3676 VAL 54 CA -0.0082 0.0025 0.0017 3677 VAL 54 C -0.0088 0.0045 0.0027 3678 VAL 54 O -0.0107 0.0048 0.0040 3679 VAL 54 CB -0.0073 0.0019 0.0009 3680 VAL 54 CG1 -0.0091 0.0023 0.0021 3681 VAL 54 CG2 -0.0068 0.0001 -0.0001 3682 MET 55 N -0.0076 0.0053 0.0018 3683 MET 55 CA -0.0076 0.0061 0.0029 3684 MET 55 C -0.0088 0.0067 0.0041 3685 MET 55 O -0.0091 0.0070 0.0047 3686 MET 55 CB -0.0061 0.0069 0.0031 3687 MET 55 CG -0.0054 0.0066 0.0024 3688 MET 55 SD -0.0054 0.0062 0.0019 3689 MET 55 CE -0.0055 0.0071 0.0031 3690 GLY 56 N -0.0088 0.0062 0.0035 3691 GLY 56 CA -0.0097 0.0067 0.0046 3692 GLY 56 C -0.0111 0.0061 0.0045 3693 GLY 56 O -0.0122 0.0060 0.0049 3694 ASN 57 N -0.0115 0.0051 0.0035 3695 ASN 57 CA -0.0128 0.0044 0.0032 3696 ASN 57 C -0.0135 0.0048 0.0040 3697 ASN 57 O -0.0135 0.0050 0.0043 3698 ASN 57 CB -0.0126 0.0035 0.0020 3699 ASN 57 CG -0.0139 0.0028 0.0018 3700 ASN 57 OD1 -0.0149 0.0028 0.0022 3701 ASN 57 ND2 -0.0138 0.0022 0.0009 3702 PRO 58 N -0.0142 0.0051 0.0057 3703 PRO 58 CA -0.0144 0.0052 0.0061 3704 PRO 58 C -0.0146 0.0050 0.0044 3705 PRO 58 O -0.0140 0.0049 0.0046 3706 PRO 58 CB -0.0161 0.0057 0.0069 3707 PRO 58 CG -0.0158 0.0056 0.0064 3708 PRO 58 CD -0.0159 0.0056 0.0064 3709 LYS 59 N -0.0151 0.0050 0.0032 3710 LYS 59 CA -0.0151 0.0048 0.0019 3711 LYS 59 C -0.0134 0.0043 0.0010 3712 LYS 59 O -0.0133 0.0042 0.0004 3713 LYS 59 CB -0.0162 0.0049 0.0007 3714 LYS 59 CG -0.0178 0.0054 0.0009 3715 LYS 59 CD -0.0184 0.0054 0.0004 3716 LYS 59 CE -0.0202 0.0057 -0.0007 3717 LYS 59 NZ -0.0214 0.0062 0.0004 3718 VAL 60 N -0.0126 0.0042 0.0015 3719 VAL 60 CA -0.0107 0.0037 0.0012 3720 VAL 60 C -0.0102 0.0037 0.0019 3721 VAL 60 O -0.0093 0.0034 0.0014 3722 VAL 60 CB -0.0100 0.0035 0.0011 3723 VAL 60 CG1 -0.0082 0.0031 0.0012 3724 VAL 60 CG2 -0.0107 0.0036 0.0002 3725 LYS 61 N -0.0082 0.0024 0.0009 3726 LYS 61 CA -0.0074 0.0019 0.0018 3727 LYS 61 C -0.0073 0.0020 0.0015 3728 LYS 61 O -0.0063 0.0018 0.0013 3729 LYS 61 CB -0.0079 0.0016 0.0032 3730 LYS 61 CG -0.0079 0.0014 0.0037 3731 LYS 61 CD -0.0086 0.0012 0.0047 3732 LYS 61 CE -0.0083 0.0008 0.0058 3733 LYS 61 NZ -0.0089 0.0006 0.0068 3734 ALA 62 N -0.0084 0.0024 0.0011 3735 ALA 62 CA -0.0083 0.0025 0.0007 3736 ALA 62 C -0.0074 0.0027 -0.0004 3737 ALA 62 O -0.0067 0.0025 -0.0005 3738 ALA 62 CB -0.0097 0.0029 0.0006 3739 HIS 63 N -0.0076 0.0030 -0.0013 3740 HIS 63 CA -0.0068 0.0032 -0.0025 3741 HIS 63 C -0.0054 0.0029 -0.0024 3742 HIS 63 O -0.0046 0.0029 -0.0031 3743 HIS 63 CB -0.0073 0.0036 -0.0035 3744 HIS 63 CG -0.0070 0.0041 -0.0050 3745 HIS 63 ND1 -0.0071 0.0042 -0.0054 3746 HIS 63 CD2 -0.0060 0.0040 -0.0056 3747 HIS 63 CE1 -0.0061 0.0044 -0.0066 3748 HIS 63 NE2 -0.0061 0.0044 -0.0067 3749 GLY 64 N -0.0027 0.0046 -0.0035 3750 GLY 64 CA -0.0023 0.0049 -0.0034 3751 GLY 64 C 0.0003 0.0035 -0.0024 3752 GLY 64 O 0.0021 0.0046 -0.0018 3753 LYS 65 N 0.0009 0.0004 -0.0021 3754 LYS 65 CA 0.0038 -0.0012 -0.0010 3755 LYS 65 C 0.0066 0.0003 -0.0001 3756 LYS 65 O 0.0086 0.0004 0.0006 3757 LYS 65 CB 0.0033 -0.0046 -0.0010 3758 LYS 65 CG 0.0062 -0.0058 0.0000 3759 LYS 65 CD 0.0050 -0.0098 -0.0002 3760 LYS 65 CE 0.0098 -0.0106 0.0014 3761 LYS 65 NZ 0.0089 -0.0142 0.0013 3762 LYS 66 N 0.0067 0.0017 -0.0001 3763 LYS 66 CA 0.0094 0.0033 0.0008 3764 LYS 66 C 0.0099 0.0057 0.0009 3765 LYS 66 O 0.0126 0.0067 0.0018 3766 LYS 66 CB 0.0089 0.0041 0.0006 3767 LYS 66 CG 0.0099 0.0053 0.0009 3768 LYS 66 CD 0.0099 0.0035 0.0010 3769 LYS 66 CE 0.0148 0.0048 0.0027 3770 LYS 66 NZ 0.0151 0.0069 0.0027 3771 VAL 67 N 0.0088 0.0082 -0.0001 3772 VAL 67 CA 0.0096 0.0110 0.0003 3773 VAL 67 C 0.0102 0.0116 0.0007 3774 VAL 67 O 0.0115 0.0131 0.0019 3775 VAL 67 CB 0.0078 0.0119 -0.0021 3776 VAL 67 CG1 0.0081 0.0145 -0.0022 3777 VAL 67 CG2 0.0071 0.0112 -0.0026 3778 LEU 68 N 0.0095 0.0107 0.0002 3779 LEU 68 CA 0.0102 0.0116 0.0007 3780 LEU 68 C 0.0119 0.0107 0.0028 3781 LEU 68 O 0.0130 0.0117 0.0039 3782 LEU 68 CB 0.0091 0.0111 -0.0003 3783 LEU 68 CG 0.0086 0.0127 -0.0013 3784 LEU 68 CD1 0.0090 0.0150 -0.0013 3785 LEU 68 CD2 0.0075 0.0120 -0.0023 3786 GLY 69 N 0.0119 0.0084 0.0034 3787 GLY 69 CA 0.0136 0.0077 0.0054 3788 GLY 69 C 0.0152 0.0093 0.0068 3789 GLY 69 O 0.0164 0.0099 0.0080 3790 ALA 70 N 0.0118 0.0158 0.0084 3791 ALA 70 CA 0.0113 0.0155 0.0088 3792 ALA 70 C 0.0120 0.0165 0.0086 3793 ALA 70 O 0.0117 0.0169 0.0093 3794 ALA 70 CB 0.0111 0.0140 0.0080 3795 PHE 71 N 0.0130 0.0169 0.0076 3796 PHE 71 CA 0.0139 0.0181 0.0073 3797 PHE 71 C 0.0137 0.0194 0.0085 3798 PHE 71 O 0.0136 0.0199 0.0089 3799 PHE 71 CB 0.0149 0.0182 0.0061 3800 PHE 71 CG 0.0158 0.0194 0.0058 3801 PHE 71 CD1 0.0162 0.0188 0.0049 3802 PHE 71 CD2 0.0161 0.0207 0.0064 3803 PHE 71 CE1 0.0169 0.0200 0.0048 3804 PHE 71 CE2 0.0168 0.0216 0.0060 3805 PHE 71 CZ 0.0172 0.0212 0.0052 3806 SER 72 N 0.0134 0.0196 0.0090 3807 SER 72 CA 0.0132 0.0207 0.0100 3808 SER 72 C 0.0125 0.0209 0.0110 3809 SER 72 O 0.0124 0.0219 0.0118 3810 SER 72 CB 0.0132 0.0217 0.0106 3811 SER 72 OG 0.0139 0.0213 0.0095 3812 ASP 73 N 0.0048 0.0225 0.0166 3813 ASP 73 CA 0.0026 0.0215 0.0176 3814 ASP 73 C 0.0028 0.0216 0.0176 3815 ASP 73 O 0.0026 0.0228 0.0190 3816 ASP 73 CB -0.0016 0.0182 0.0183 3817 ASP 73 CG -0.0017 0.0199 0.0200 3818 ASP 73 OD1 -0.0018 0.0209 0.0211 3819 ASP 73 OD2 -0.0047 0.0155 0.0184 3820 GLY 74 N 0.0056 0.0208 0.0141 3821 GLY 74 CA 0.0067 0.0210 0.0133 3822 GLY 74 C 0.0094 0.0240 0.0139 3823 GLY 74 O 0.0100 0.0249 0.0142 3824 LEU 75 N 0.0109 0.0262 0.0146 3825 LEU 75 CA 0.0126 0.0294 0.0162 3826 LEU 75 C 0.0110 0.0308 0.0191 3827 LEU 75 O 0.0127 0.0333 0.0200 3828 LEU 75 CB 0.0151 0.0313 0.0158 3829 LEU 75 CG 0.0180 0.0313 0.0130 3830 LEU 75 CD1 0.0188 0.0297 0.0108 3831 LEU 75 CD2 0.0192 0.0312 0.0119 3832 ALA 76 N 0.0029 0.0356 0.0298 3833 ALA 76 CA -0.0036 0.0368 0.0331 3834 ALA 76 C -0.0039 0.0338 0.0304 3835 ALA 76 O -0.0064 0.0347 0.0321 3836 ALA 76 CB -0.0055 0.0374 0.0342 3837 HIS 77 N -0.0018 0.0299 0.0262 3838 HIS 77 CA -0.0040 0.0272 0.0244 3839 HIS 77 C -0.0002 0.0232 0.0195 3840 HIS 77 O -0.0005 0.0193 0.0160 3841 HIS 77 CB -0.0097 0.0225 0.0219 3842 HIS 77 CG -0.0147 0.0242 0.0251 3843 HIS 77 ND1 -0.0143 0.0251 0.0258 3844 HIS 77 CD2 -0.0195 0.0242 0.0266 3845 HIS 77 CE1 -0.0210 0.0278 0.0304 3846 HIS 77 NE2 -0.0213 0.0279 0.0306 3847 LEU 78 N 0.0055 0.0265 0.0207 3848 LEU 78 CA 0.0095 0.0251 0.0182 3849 LEU 78 C 0.0106 0.0218 0.0148 3850 LEU 78 O 0.0129 0.0196 0.0120 3851 LEU 78 CB 0.0163 0.0289 0.0195 3852 LEU 78 CG 0.0204 0.0290 0.0183 3853 LEU 78 CD1 0.0237 0.0346 0.0223 3854 LEU 78 CD2 0.0214 0.0273 0.0164 3855 ASP 79 N 0.0102 0.0239 0.0212 3856 ASP 79 CA 0.0124 0.0200 0.0151 3857 ASP 79 C 0.0034 0.0162 0.0092 3858 ASP 79 O 0.0038 0.0125 0.0033 3859 ASP 79 CB 0.0075 0.0226 0.0192 3860 ASP 79 CG 0.0108 0.0263 0.0249 3861 ASP 79 OD1 0.0108 0.0283 0.0280 3862 ASP 79 OD2 0.0216 0.0234 0.0207 3863 ASN 80 N -0.0004 0.0182 0.0121 3864 ASN 80 CA -0.0064 0.0134 0.0046 3865 ASN 80 C -0.0101 0.0143 0.0060 3866 ASN 80 O -0.0164 0.0136 0.0047 3867 ASN 80 CB -0.0128 0.0138 0.0051 3868 ASN 80 CG -0.0200 0.0142 0.0055 3869 ASN 80 OD1 -0.0244 0.0091 -0.0024 3870 ASN 80 ND2 -0.0200 0.0183 0.0119 3871 LEU 81 N -0.0028 0.0125 0.0033 3872 LEU 81 CA -0.0041 0.0125 0.0032 3873 LEU 81 C -0.0102 0.0085 -0.0031 3874 LEU 81 O -0.0155 0.0091 -0.0022 3875 LEU 81 CB 0.0042 0.0117 0.0022 3876 LEU 81 CG 0.0094 0.0161 0.0091 3877 LEU 81 CD1 0.0168 0.0153 0.0079 3878 LEU 81 CD2 0.0060 0.0200 0.0151 3879 LYS 82 N -0.0128 -0.0026 -0.0069 3880 LYS 82 CA -0.0163 -0.0042 -0.0101 3881 LYS 82 C -0.0224 -0.0003 -0.0111 3882 LYS 82 O -0.0249 0.0014 -0.0115 3883 LYS 82 CB -0.0161 -0.0110 -0.0146 3884 LYS 82 CG -0.0112 -0.0146 -0.0141 3885 LYS 82 CD -0.0112 -0.0225 -0.0196 3886 LYS 82 CE -0.0005 -0.0235 -0.0137 3887 LYS 82 NZ -0.0040 -0.0273 -0.0184 3888 GLY 83 N -0.0269 0.0023 -0.0121 3889 GLY 83 CA -0.0333 0.0049 -0.0142 3890 GLY 83 C -0.0334 0.0108 -0.0102 3891 GLY 83 O -0.0366 0.0138 -0.0101 3892 THR 84 N -0.0283 0.0138 -0.0051 3893 THR 84 CA -0.0286 0.0192 -0.0016 3894 THR 84 C -0.0284 0.0192 -0.0015 3895 THR 84 O -0.0296 0.0241 0.0011 3896 THR 84 CB -0.0236 0.0216 0.0031 3897 THR 84 OG1 -0.0250 0.0213 0.0020 3898 THR 84 CG2 -0.0224 0.0275 0.0078 3899 PHE 85 N -0.0216 0.0131 -0.0083 3900 PHE 85 CA -0.0160 0.0141 -0.0048 3901 PHE 85 C -0.0202 0.0092 -0.0090 3902 PHE 85 O -0.0168 0.0073 -0.0078 3903 PHE 85 CB -0.0075 0.0092 -0.0018 3904 PHE 85 CG -0.0037 0.0166 0.0031 3905 PHE 85 CD1 -0.0012 0.0149 0.0039 3906 PHE 85 CD2 -0.0012 0.0235 0.0071 3907 PHE 85 CE1 0.0032 0.0212 0.0087 3908 PHE 85 CE2 0.0022 0.0302 0.0115 3909 PHE 85 CZ 0.0045 0.0300 0.0128 3910 ALA 86 N -0.0269 0.0050 -0.0144 3911 ALA 86 CA -0.0295 -0.0018 -0.0183 3912 ALA 86 C -0.0316 0.0043 -0.0172 3913 ALA 86 O -0.0287 0.0002 -0.0171 3914 ALA 86 CB -0.0393 -0.0031 -0.0244 3915 THR 87 N -0.0351 0.0124 -0.0162 3916 THR 87 CA -0.0364 0.0168 -0.0152 3917 THR 87 C -0.0282 0.0180 -0.0102 3918 THR 87 O -0.0273 0.0164 -0.0103 3919 THR 87 CB -0.0418 0.0266 -0.0147 3920 THR 87 OG1 -0.0495 0.0251 -0.0195 3921 THR 87 CG2 -0.0446 0.0304 -0.0148 3922 LEU 88 N -0.0165 0.0194 -0.0100 3923 LEU 88 CA -0.0088 0.0202 -0.0077 3924 LEU 88 C -0.0042 0.0121 -0.0063 3925 LEU 88 O 0.0016 0.0104 -0.0046 3926 LEU 88 CB -0.0050 0.0259 -0.0066 3927 LEU 88 CG -0.0063 0.0344 -0.0070 3928 LEU 88 CD1 -0.0046 0.0384 -0.0065 3929 LEU 88 CD2 -0.0034 0.0362 -0.0061 3930 SER 89 N -0.0080 0.0068 -0.0075 3931 SER 89 CA -0.0052 -0.0013 -0.0066 3932 SER 89 C -0.0040 -0.0054 -0.0063 3933 SER 89 O 0.0009 -0.0093 -0.0048 3934 SER 89 CB -0.0093 -0.0066 -0.0078 3935 SER 89 OG -0.0058 -0.0138 -0.0068 3936 GLU 90 N -0.0111 -0.0058 -0.0084 3937 GLU 90 CA -0.0118 -0.0080 -0.0086 3938 GLU 90 C -0.0066 -0.0045 -0.0070 3939 GLU 90 O -0.0034 -0.0082 -0.0061 3940 GLU 90 CB -0.0207 -0.0076 -0.0112 3941 GLU 90 CG -0.0208 -0.0133 -0.0113 3942 GLU 90 CD -0.0345 -0.0130 -0.0153 3943 GLU 90 OE1 -0.0320 -0.0080 -0.0146 3944 GLU 90 OE2 -0.0352 -0.0080 -0.0155 3945 LEU 91 N 0.0031 -0.0016 -0.0087 3946 LEU 91 CA 0.0087 -0.0006 -0.0089 3947 LEU 91 C 0.0133 -0.0019 -0.0073 3948 LEU 91 O 0.0182 -0.0027 -0.0060 3949 LEU 91 CB 0.0089 0.0046 -0.0131 3950 LEU 91 CG 0.0146 0.0075 -0.0148 3951 LEU 91 CD1 0.0182 0.0065 -0.0135 3952 LEU 91 CD2 0.0148 0.0121 -0.0185 3953 HIS 92 N 0.0111 -0.0012 -0.0081 3954 HIS 92 CA 0.0158 -0.0016 -0.0072 3955 HIS 92 C 0.0153 -0.0073 -0.0026 3956 HIS 92 O 0.0200 -0.0083 -0.0012 3957 HIS 92 CB 0.0124 -0.0010 -0.0081 3958 HIS 92 CG 0.0141 0.0039 -0.0119 3959 HIS 92 ND1 0.0106 0.0071 -0.0149 3960 HIS 92 CD2 0.0174 0.0068 -0.0139 3961 HIS 92 CE1 0.0132 0.0109 -0.0177 3962 HIS 92 NE2 0.0177 0.0113 -0.0175 3963 CYS 93 N 0.0113 -0.0098 -0.0010 3964 CYS 93 CA 0.0124 -0.0148 0.0032 3965 CYS 93 C 0.0166 -0.0156 0.0043 3966 CYS 93 O 0.0201 -0.0173 0.0061 3967 CYS 93 CB 0.0064 -0.0165 0.0038 3968 CYS 93 SG 0.0075 -0.0228 0.0091 3969 ASP 94 N 0.0145 -0.0174 0.0068 3970 ASP 94 CA 0.0215 -0.0189 0.0117 3971 ASP 94 C 0.0286 -0.0177 0.0080 3972 ASP 94 O 0.0341 -0.0188 0.0114 3973 ASP 94 CB 0.0188 -0.0187 0.0108 3974 ASP 94 CG 0.0120 -0.0205 0.0160 3975 ASP 94 OD1 0.0106 -0.0213 0.0186 3976 ASP 94 OD2 0.0100 -0.0192 0.0121 3977 LYS 95 N 0.0292 -0.0154 0.0011 3978 LYS 95 CA 0.0373 -0.0140 -0.0028 3979 LYS 95 C 0.0389 -0.0137 -0.0036 3980 LYS 95 O 0.0440 -0.0139 -0.0028 3981 LYS 95 CB 0.0382 -0.0117 -0.0096 3982 LYS 95 CG 0.0352 -0.0119 -0.0091 3983 LYS 95 CD 0.0444 -0.0143 -0.0017 3984 LYS 95 CE 0.0462 -0.0155 0.0018 3985 LYS 95 NZ 0.0554 -0.0175 0.0080 3986 LEU 96 N 0.0318 -0.0126 -0.0070 3987 LEU 96 CA 0.0335 -0.0118 -0.0094 3988 LEU 96 C 0.0321 -0.0139 -0.0032 3989 LEU 96 O 0.0347 -0.0134 -0.0047 3990 LEU 96 CB 0.0291 -0.0095 -0.0166 3991 LEU 96 CG 0.0301 -0.0073 -0.0230 3992 LEU 96 CD1 0.0246 -0.0052 -0.0296 3993 LEU 96 CD2 0.0381 -0.0066 -0.0248 3994 HIS 97 N 0.0218 -0.0135 0.0015 3995 HIS 97 CA 0.0205 -0.0127 0.0033 3996 HIS 97 C 0.0179 -0.0119 0.0014 3997 HIS 97 O 0.0173 -0.0116 0.0012 3998 HIS 97 CB 0.0222 -0.0132 0.0043 3999 HIS 97 CG 0.0251 -0.0141 0.0063 4000 HIS 97 ND1 0.0248 -0.0136 0.0086 4001 HIS 97 CD2 0.0276 -0.0153 0.0050 4002 HIS 97 CE1 0.0277 -0.0146 0.0101 4003 HIS 97 NE2 0.0288 -0.0154 0.0078 4004 VAL 98 N 0.0163 -0.0115 -0.0004 4005 VAL 98 CA 0.0140 -0.0108 -0.0024 4006 VAL 98 C 0.0111 -0.0093 -0.0006 4007 VAL 98 O 0.0103 -0.0089 0.0003 4008 VAL 98 CB 0.0134 -0.0110 -0.0049 4009 VAL 98 CG1 0.0107 -0.0102 -0.0068 4010 VAL 98 CG2 0.0163 -0.0125 -0.0068 4011 ASP 99 N 0.0098 -0.0087 -0.0005 4012 ASP 99 CA 0.0069 -0.0073 0.0008 4013 ASP 99 C 0.0051 -0.0069 -0.0010 4014 ASP 99 O 0.0048 -0.0072 -0.0039 4015 ASP 99 CB 0.0061 -0.0070 0.0005 4016 ASP 99 CG 0.0030 -0.0055 0.0019 4017 ASP 99 OD1 0.0028 -0.0055 0.0018 4018 ASP 99 OD2 0.0018 -0.0048 0.0029 4019 PRO 100 N 0.0053 -0.0081 0.0001 4020 PRO 100 CA 0.0054 -0.0080 0.0002 4021 PRO 100 C 0.0055 -0.0079 0.0001 4022 PRO 100 O 0.0055 -0.0078 0.0002 4023 PRO 100 CB 0.0054 -0.0080 0.0003 4024 PRO 100 CG 0.0054 -0.0080 0.0002 4025 PRO 100 CD 0.0053 -0.0081 0.0001 4026 GLU 101 N 0.0055 -0.0079 -0.0000 4027 GLU 101 CA 0.0056 -0.0078 -0.0001 4028 GLU 101 C 0.0056 -0.0078 -0.0000 4029 GLU 101 O 0.0056 -0.0078 0.0000 4030 GLU 101 CB 0.0056 -0.0078 -0.0002 4031 GLU 101 CG 0.0057 -0.0077 -0.0003 4032 GLU 101 CD 0.0058 -0.0076 -0.0003 4033 GLU 101 OE1 0.0058 -0.0076 -0.0002 4034 GLU 101 OE2 0.0058 -0.0076 -0.0003 4035 ASN 102 N 0.0055 -0.0079 0.0000 4036 ASN 102 CA 0.0054 -0.0080 0.0001 4037 ASN 102 C 0.0055 -0.0079 0.0002 4038 ASN 102 O 0.0055 -0.0079 0.0003 4039 ASN 102 CB 0.0053 -0.0081 0.0001 4040 ASN 102 CG 0.0053 -0.0082 -0.0001 4041 ASN 102 OD1 0.0053 -0.0082 -0.0001 4042 ASN 102 ND2 0.0052 -0.0082 -0.0001 4043 PHE 103 N 0.0072 -0.0044 0.0000 4044 PHE 103 CA 0.0075 -0.0046 0.0002 4045 PHE 103 C 0.0073 -0.0045 0.0001 4046 PHE 103 O 0.0073 -0.0049 0.0001 4047 PHE 103 CB 0.0080 -0.0044 0.0003 4048 PHE 103 CG 0.0081 -0.0045 0.0004 4049 PHE 103 CD1 0.0080 -0.0049 0.0004 4050 PHE 103 CD2 0.0084 -0.0041 0.0005 4051 PHE 103 CE1 0.0082 -0.0049 0.0004 4052 PHE 103 CE2 0.0086 -0.0042 0.0006 4053 PHE 103 CZ 0.0085 -0.0046 0.0005 4054 ARG 104 N 0.0072 -0.0041 -0.0000 4055 ARG 104 CA 0.0070 -0.0040 -0.0001 4056 ARG 104 C 0.0065 -0.0043 -0.0003 4057 ARG 104 O 0.0065 -0.0045 -0.0003 4058 ARG 104 CB 0.0069 -0.0034 -0.0001 4059 ARG 104 CG 0.0073 -0.0032 0.0000 4060 ARG 104 CD 0.0073 -0.0026 -0.0000 4061 ARG 104 NE 0.0079 -0.0026 0.0002 4062 ARG 104 CZ 0.0078 -0.0017 0.0002 4063 ARG 104 NH1 0.0073 -0.0017 -0.0000 4064 ARG 104 NH2 0.0080 -0.0016 0.0003 4065 LEU 105 N 0.0063 -0.0043 -0.0004 4066 LEU 105 CA 0.0058 -0.0046 -0.0005 4067 LEU 105 C 0.0059 -0.0051 -0.0005 4068 LEU 105 O 0.0057 -0.0053 -0.0005 4069 LEU 105 CB 0.0056 -0.0045 -0.0006 4070 LEU 105 CG 0.0053 -0.0040 -0.0007 4071 LEU 105 CD1 0.0051 -0.0039 -0.0008 4072 LEU 105 CD2 0.0051 -0.0038 -0.0008 4073 LEU 106 N 0.0058 0.0027 0.0001 4074 LEU 106 CA 0.0058 0.0028 -0.0001 4075 LEU 106 C 0.0058 0.0024 -0.0003 4076 LEU 106 O 0.0058 0.0024 -0.0003 4077 LEU 106 CB 0.0059 0.0031 -0.0004 4078 LEU 106 CG 0.0059 0.0032 -0.0006 4079 LEU 106 CD1 0.0060 0.0033 -0.0003 4080 LEU 106 CD2 0.0060 0.0034 -0.0008 4081 GLY 107 N 0.0057 0.0022 -0.0005 4082 GLY 107 CA 0.0056 0.0019 -0.0007 4083 GLY 107 C 0.0056 0.0016 -0.0004 4084 GLY 107 O 0.0055 0.0015 -0.0005 4085 ASN 108 N 0.0056 0.0016 -0.0001 4086 ASN 108 CA 0.0055 0.0014 0.0002 4087 ASN 108 C 0.0055 0.0015 0.0004 4088 ASN 108 O 0.0055 0.0013 0.0005 4089 ASN 108 CB 0.0055 0.0012 0.0005 4090 ASN 108 CG 0.0054 0.0010 0.0004 4091 ASN 108 OD1 0.0054 0.0007 0.0001 4092 ASN 108 ND2 0.0054 0.0010 0.0006 4093 VAL 109 N 0.0035 0.0039 0.0001 4094 VAL 109 CA 0.0033 0.0034 -0.0000 4095 VAL 109 C 0.0036 0.0028 -0.0004 4096 VAL 109 O 0.0032 0.0022 -0.0005 4097 VAL 109 CB 0.0035 0.0039 0.0001 4098 VAL 109 CG1 0.0033 0.0034 -0.0000 4099 VAL 109 CG2 0.0030 0.0044 0.0005 4100 LEU 110 N 0.0044 0.0028 -0.0006 4101 LEU 110 CA 0.0047 0.0022 -0.0010 4102 LEU 110 C 0.0043 0.0016 -0.0011 4103 LEU 110 O 0.0042 0.0010 -0.0014 4104 LEU 110 CB 0.0054 0.0023 -0.0012 4105 LEU 110 CG 0.0059 0.0018 -0.0016 4106 LEU 110 CD1 0.0059 0.0013 -0.0018 4107 LEU 110 CD2 0.0067 0.0020 -0.0017 4108 VAL 111 N 0.0041 0.0019 -0.0009 4109 VAL 111 CA 0.0037 0.0014 -0.0010 4110 VAL 111 C 0.0030 0.0010 -0.0009 4111 VAL 111 O 0.0028 0.0004 -0.0011 4112 VAL 111 CB 0.0036 0.0018 -0.0008 4113 VAL 111 CG1 0.0030 0.0014 -0.0008 4114 VAL 111 CG2 0.0043 0.0020 -0.0010 4115 CYS 112 N 0.0016 0.0022 -0.0036 4116 CYS 112 CA 0.0009 0.0019 -0.0040 4117 CYS 112 C 0.0010 0.0010 -0.0045 4118 CYS 112 O 0.0006 0.0006 -0.0048 4119 CYS 112 CB 0.0006 0.0021 -0.0040 4120 CYS 112 SG 0.0000 0.0030 -0.0037 4121 VAL 113 N 0.0017 0.0007 -0.0043 4122 VAL 113 CA 0.0020 -0.0001 -0.0046 4123 VAL 113 C 0.0022 -0.0005 -0.0048 4124 VAL 113 O 0.0019 -0.0010 -0.0052 4125 VAL 113 CB 0.0028 -0.0003 -0.0044 4126 VAL 113 CG1 0.0031 -0.0011 -0.0047 4127 VAL 113 CG2 0.0025 -0.0001 -0.0044 4128 LEU 114 N 0.0025 -0.0002 -0.0045 4129 LEU 114 CA 0.0027 -0.0005 -0.0046 4130 LEU 114 C 0.0019 -0.0005 -0.0049 4131 LEU 114 O 0.0018 -0.0010 -0.0052 4132 LEU 114 CB 0.0032 -0.0000 -0.0041 4133 LEU 114 CG 0.0040 -0.0001 -0.0038 4134 LEU 114 CD1 0.0044 0.0004 -0.0033 4135 LEU 114 CD2 0.0045 -0.0009 -0.0041 4136 ALA 115 N -0.0003 -0.0014 -0.0084 4137 ALA 115 CA -0.0012 -0.0020 -0.0082 4138 ALA 115 C -0.0016 -0.0023 -0.0081 4139 ALA 115 O -0.0019 -0.0030 -0.0083 4140 ALA 115 CB -0.0017 -0.0015 -0.0076 4141 HIS 116 N -0.0016 -0.0018 -0.0079 4142 HIS 116 CA -0.0019 -0.0021 -0.0078 4143 HIS 116 C -0.0015 -0.0027 -0.0084 4144 HIS 116 O -0.0020 -0.0033 -0.0085 4145 HIS 116 CB -0.0018 -0.0013 -0.0075 4146 HIS 116 CG -0.0022 -0.0015 -0.0073 4147 HIS 116 ND1 -0.0018 -0.0013 -0.0074 4148 HIS 116 CD2 -0.0030 -0.0019 -0.0071 4149 HIS 116 CE1 -0.0024 -0.0014 -0.0072 4150 HIS 116 NE2 -0.0031 -0.0019 -0.0070 4151 HIS 117 N -0.0007 -0.0026 -0.0087 4152 HIS 117 CA -0.0003 -0.0031 -0.0093 4153 HIS 117 C -0.0005 -0.0039 -0.0096 4154 HIS 117 O -0.0005 -0.0046 -0.0100 4155 HIS 117 CB 0.0006 -0.0026 -0.0095 4156 HIS 117 CG 0.0011 -0.0030 -0.0100 4157 HIS 117 ND1 0.0010 -0.0031 -0.0100 4158 HIS 117 CD2 0.0015 -0.0038 -0.0106 4159 HIS 117 CE1 0.0016 -0.0037 -0.0107 4160 HIS 117 NE2 0.0018 -0.0039 -0.0109 4161 PHE 118 N 0.0010 -0.0044 -0.0108 4162 PHE 118 CA -0.0001 -0.0047 -0.0117 4163 PHE 118 C -0.0016 -0.0049 -0.0117 4164 PHE 118 O -0.0027 -0.0052 -0.0126 4165 PHE 118 CB -0.0002 -0.0046 -0.0111 4166 PHE 118 CG 0.0015 -0.0045 -0.0115 4167 PHE 118 CD1 0.0027 -0.0042 -0.0107 4168 PHE 118 CD2 0.0016 -0.0049 -0.0131 4169 PHE 118 CE1 0.0041 -0.0041 -0.0108 4170 PHE 118 CE2 0.0032 -0.0049 -0.0134 4171 PHE 118 CZ 0.0044 -0.0045 -0.0125 4172 GLY 119 N -0.0022 -0.0047 -0.0107 4173 GLY 119 CA -0.0036 -0.0048 -0.0109 4174 GLY 119 C -0.0049 -0.0048 -0.0104 4175 GLY 119 O -0.0049 -0.0046 -0.0096 4176 LYS 120 N -0.0061 -0.0052 -0.0115 4177 LYS 120 CA -0.0075 -0.0053 -0.0112 4178 LYS 120 C -0.0072 -0.0054 -0.0116 4179 LYS 120 O -0.0080 -0.0052 -0.0109 4180 LYS 120 CB -0.0087 -0.0057 -0.0123 4181 LYS 120 CG -0.0087 -0.0060 -0.0135 4182 LYS 120 CD -0.0098 -0.0065 -0.0150 4183 LYS 120 CE -0.0087 -0.0067 -0.0164 4184 LYS 120 NZ -0.0102 -0.0073 -0.0183 4185 GLU 121 N -0.0034 -0.0039 -0.0107 4186 GLU 121 CA -0.0030 -0.0039 -0.0107 4187 GLU 121 C -0.0025 -0.0033 -0.0092 4188 GLU 121 O -0.0025 -0.0033 -0.0090 4189 GLU 121 CB -0.0013 -0.0042 -0.0118 4190 GLU 121 CG -0.0011 -0.0043 -0.0120 4191 GLU 121 CD 0.0002 -0.0048 -0.0136 4192 GLU 121 OE1 0.0011 -0.0045 -0.0128 4193 GLU 121 OE2 0.0010 -0.0047 -0.0135 4194 PHE 122 N -0.0022 -0.0030 -0.0084 4195 PHE 122 CA -0.0018 -0.0025 -0.0069 4196 PHE 122 C -0.0033 -0.0023 -0.0061 4197 PHE 122 O -0.0037 -0.0019 -0.0052 4198 PHE 122 CB -0.0009 -0.0023 -0.0065 4199 PHE 122 CG 0.0001 -0.0018 -0.0052 4200 PHE 122 CD1 0.0010 -0.0018 -0.0051 4201 PHE 122 CD2 -0.0002 -0.0013 -0.0037 4202 PHE 122 CE1 0.0019 -0.0013 -0.0039 4203 PHE 122 CE2 0.0004 -0.0008 -0.0024 4204 PHE 122 CZ 0.0014 -0.0009 -0.0027 4205 THR 123 N -0.0040 -0.0024 -0.0064 4206 THR 123 CA -0.0056 -0.0022 -0.0057 4207 THR 123 C -0.0054 -0.0017 -0.0043 4208 THR 123 O -0.0043 -0.0014 -0.0037 4209 THR 123 CB -0.0064 -0.0024 -0.0064 4210 THR 123 OG1 -0.0056 -0.0024 -0.0064 4211 THR 123 CG2 -0.0065 -0.0031 -0.0082 4212 PRO 124 N -0.0042 -0.0015 -0.0014 4213 PRO 124 CA -0.0044 -0.0016 0.0001 4214 PRO 124 C -0.0046 -0.0017 0.0007 4215 PRO 124 O -0.0039 -0.0019 0.0017 4216 PRO 124 CB -0.0056 -0.0015 0.0004 4217 PRO 124 CG -0.0055 -0.0014 -0.0007 4218 PRO 124 CD -0.0051 -0.0013 -0.0019 4219 PRO 125 N -0.0053 -0.0015 0.0001 4220 PRO 125 CA -0.0053 -0.0016 0.0005 4221 PRO 125 C -0.0041 -0.0017 0.0005 4222 PRO 125 O -0.0037 -0.0019 0.0014 4223 PRO 125 CB -0.0064 -0.0013 -0.0003 4224 PRO 125 CG -0.0072 -0.0012 -0.0008 4225 PRO 125 CD -0.0066 -0.0012 -0.0010 4226 VAL 126 N -0.0033 -0.0017 -0.0007 4227 VAL 126 CA -0.0019 -0.0018 -0.0008 4228 VAL 126 C -0.0008 -0.0021 0.0005 4229 VAL 126 O -0.0002 -0.0023 0.0009 4230 VAL 126 CB -0.0012 -0.0017 -0.0025 4231 VAL 126 CG1 0.0000 -0.0019 -0.0024 4232 VAL 126 CG2 -0.0023 -0.0015 -0.0032 4233 GLN 127 N -0.0011 -0.0004 -0.0003 4234 GLN 127 CA -0.0005 -0.0008 0.0008 4235 GLN 127 C -0.0004 -0.0005 0.0029 4236 GLN 127 O 0.0008 -0.0012 0.0041 4237 GLN 127 CB -0.0010 -0.0005 -0.0004 4238 GLN 127 CG -0.0003 -0.0009 0.0009 4239 GLN 127 CD -0.0012 -0.0003 0.0002 4240 GLN 127 OE1 -0.0020 0.0001 -0.0014 4241 GLN 127 NE2 -0.0005 -0.0007 0.0012 4242 ALA 128 N -0.0019 0.0007 0.0036 4243 ALA 128 CA -0.0022 0.0013 0.0057 4244 ALA 128 C -0.0011 0.0006 0.0070 4245 ALA 128 O -0.0004 0.0003 0.0085 4246 ALA 128 CB -0.0039 0.0026 0.0060 4247 ALA 129 N -0.0008 0.0003 0.0059 4248 ALA 129 CA 0.0002 -0.0004 0.0069 4249 ALA 129 C 0.0019 -0.0017 0.0072 4250 ALA 129 O 0.0028 -0.0021 0.0088 4251 ALA 129 CB 0.0000 -0.0004 0.0059 4252 TYR 130 N 0.0033 0.0047 0.0053 4253 TYR 130 CA 0.0052 0.0034 0.0051 4254 TYR 130 C 0.0056 0.0030 0.0067 4255 TYR 130 O 0.0068 0.0020 0.0079 4256 TYR 130 CB 0.0059 0.0030 0.0030 4257 TYR 130 CG 0.0065 0.0027 0.0020 4258 TYR 130 CD1 0.0081 0.0015 0.0023 4259 TYR 130 CD2 0.0056 0.0035 0.0007 4260 TYR 130 CE1 0.0091 0.0009 0.0017 4261 TYR 130 CE2 0.0063 0.0030 -0.0002 4262 TYR 130 CZ 0.0078 0.0019 0.0002 4263 TYR 130 OH 0.0084 0.0015 -0.0007 4264 GLN 131 N 0.0044 0.0038 0.0070 4265 GLN 131 CA 0.0046 0.0035 0.0086 4266 GLN 131 C 0.0047 0.0032 0.0108 4267 GLN 131 O 0.0056 0.0025 0.0121 4268 GLN 131 CB 0.0034 0.0044 0.0084 4269 GLN 131 CG 0.0034 0.0045 0.0065 4270 GLN 131 CD 0.0050 0.0034 0.0061 4271 GLN 131 OE1 0.0050 0.0036 0.0043 4272 GLN 131 NE2 0.0060 0.0026 0.0076 4273 LYS 132 N 0.0035 0.0040 0.0113 4274 LYS 132 CA 0.0034 0.0040 0.0136 4275 LYS 132 C 0.0051 0.0027 0.0140 4276 LYS 132 O 0.0059 0.0020 0.0155 4277 LYS 132 CB 0.0019 0.0050 0.0138 4278 LYS 132 CG 0.0002 0.0062 0.0142 4279 LYS 132 CD -0.0013 0.0073 0.0143 4280 LYS 132 CE -0.0029 0.0085 0.0129 4281 LYS 132 NZ -0.0044 0.0094 0.0151 4282 VAL 133 N 0.0160 0.0089 0.0118 4283 VAL 133 CA 0.0155 0.0090 0.0119 4284 VAL 133 C 0.0164 0.0079 0.0118 4285 VAL 133 O 0.0158 0.0071 0.0121 4286 VAL 133 CB 0.0155 0.0106 0.0117 4287 VAL 133 CG1 0.0155 0.0105 0.0117 4288 VAL 133 CG2 0.0145 0.0116 0.0118 4289 VAL 134 N 0.0177 0.0081 0.0115 4290 VAL 134 CA 0.0186 0.0071 0.0114 4291 VAL 134 C 0.0185 0.0054 0.0117 4292 VAL 134 O 0.0184 0.0045 0.0119 4293 VAL 134 CB 0.0202 0.0076 0.0110 4294 VAL 134 CG1 0.0204 0.0090 0.0108 4295 VAL 134 CG2 0.0209 0.0072 0.0109 4296 ALA 135 N 0.0183 0.0051 0.0118 4297 ALA 135 CA 0.0181 0.0037 0.0120 4298 ALA 135 C 0.0165 0.0032 0.0125 4299 ALA 135 O 0.0163 0.0020 0.0127 4300 ALA 135 CB 0.0179 0.0035 0.0121 4301 GLY 136 N 0.0213 0.0051 0.0093 4302 GLY 136 CA 0.0175 0.0051 0.0098 4303 GLY 136 C 0.0151 0.0044 0.0097 4304 GLY 136 O 0.0122 0.0020 0.0089 4305 VAL 137 N 0.0162 0.0068 0.0107 4306 VAL 137 CA 0.0143 0.0068 0.0109 4307 VAL 137 C 0.0148 0.0040 0.0096 4308 VAL 137 O 0.0124 0.0018 0.0088 4309 VAL 137 CB 0.0153 0.0105 0.0126 4310 VAL 137 CG1 0.0139 0.0101 0.0126 4311 VAL 137 CG2 0.0139 0.0135 0.0142 4312 ALA 138 N 0.0185 0.0023 0.0084 4313 ALA 138 CA 0.0196 -0.0011 0.0066 4314 ALA 138 C 0.0170 -0.0042 0.0054 4315 ALA 138 O 0.0157 -0.0066 0.0044 4316 ALA 138 CB 0.0242 -0.0020 0.0056 4317 ASN 139 N 0.0159 -0.0073 -0.0007 4318 ASN 139 CA 0.0136 -0.0119 -0.0026 4319 ASN 139 C 0.0079 -0.0111 -0.0035 4320 ASN 139 O 0.0048 -0.0141 -0.0050 4321 ASN 139 CB 0.0126 -0.0123 -0.0029 4322 ASN 139 CG 0.0146 -0.0164 -0.0038 4323 ASN 139 OD1 0.0089 -0.0192 -0.0057 4324 ASN 139 ND2 0.0201 -0.0177 -0.0031 4325 ALA 140 N 0.0056 -0.0062 -0.0024 4326 ALA 140 CA 0.0001 -0.0041 -0.0029 4327 ALA 140 C 0.0004 -0.0040 -0.0028 4328 ALA 140 O -0.0036 -0.0059 -0.0042 4329 ALA 140 CB -0.0013 0.0009 -0.0016 4330 LEU 141 N 0.0039 -0.0027 -0.0017 4331 LEU 141 CA 0.0040 -0.0027 -0.0017 4332 LEU 141 C 0.0044 -0.0081 -0.0032 4333 LEU 141 O 0.0037 -0.0093 -0.0038 4334 LEU 141 CB 0.0083 0.0010 0.0003 4335 LEU 141 CG 0.0069 0.0064 0.0017 4336 LEU 141 CD1 0.0110 0.0082 0.0030 4337 LEU 141 CD2 0.0024 0.0066 0.0009 4338 ALA 142 N 0.0070 -0.0139 -0.0029 4339 ALA 142 CA 0.0078 -0.0206 -0.0020 4340 ALA 142 C 0.0018 -0.0252 -0.0049 4341 ALA 142 O 0.0027 -0.0300 -0.0041 4342 ALA 142 CB 0.0123 -0.0253 0.0009 4343 HIS 143 N -0.0040 -0.0235 -0.0082 4344 HIS 143 CA -0.0104 -0.0276 -0.0115 4345 HIS 143 C -0.0124 -0.0291 -0.0124 4346 HIS 143 O -0.0149 -0.0354 -0.0134 4347 HIS 143 CB -0.0153 -0.0252 -0.0144 4348 HIS 143 CG -0.0211 -0.0291 -0.0173 4349 HIS 143 ND1 -0.0263 -0.0268 -0.0203 4350 HIS 143 CD2 -0.0211 -0.0384 -0.0165 4351 HIS 143 CE1 -0.0302 -0.0348 -0.0218 4352 HIS 143 NE2 -0.0275 -0.0394 -0.0200 4353 LYS 144 N -0.0115 -0.0238 -0.0124 4354 LYS 144 CA -0.0133 -0.0227 -0.0135 4355 LYS 144 C -0.0095 -0.0268 -0.0110 4356 LYS 144 O -0.0099 -0.0259 -0.0113 4357 LYS 144 CB -0.0176 -0.0179 -0.0162 4358 LYS 144 CG -0.0235 -0.0151 -0.0197 4359 LYS 144 CD -0.0295 -0.0178 -0.0228 4360 LYS 144 CE -0.0347 -0.0174 -0.0257 4361 LYS 144 NZ -0.0439 -0.0162 -0.0309 4362 TYR 145 N -0.0000 -0.0149 0.0064 4363 TYR 145 CA 0.0017 -0.0157 0.0084 4364 TYR 145 C 0.0013 -0.0170 0.0119 4365 TYR 145 O -0.0015 -0.0171 0.0127 4366 TYR 145 CB 0.0017 -0.0155 0.0077 4367 TYR 145 CG 0.0040 -0.0146 0.0052 4368 TYR 145 CD1 0.0067 -0.0148 0.0052 4369 TYR 145 CD2 0.0030 -0.0135 0.0022 4370 TYR 145 CE1 0.0087 -0.0140 0.0029 4371 TYR 145 CE2 0.0052 -0.0126 -0.0005 4372 TYR 145 CZ 0.0076 -0.0128 -0.0002 4373 TYR 145 OH 0.0097 -0.0120 -0.0026 4374 HIS 146 N 0.0038 -0.0177 0.0134 4375 HIS 146 CA 0.0037 -0.0191 0.0172 4376 HIS 146 C 0.0071 -0.0196 0.0182 4377 HIS 146 O 0.0091 -0.0194 0.0171 4378 HIS 146 CB 0.0034 -0.0190 0.0171 4379 HIS 146 CG 0.0061 -0.0185 0.0153 4380 HIS 146 ND1 0.0096 -0.0195 0.0175 4381 HIS 146 CD2 0.0086 -0.0180 0.0136 4382 HIS 146 CE1 0.0107 -0.0192 0.0165 4383 HIS 146 NE2 0.0121 -0.0180 0.0132 4384 HIS 146 OXT 0.0066 -0.0208 0.0214