1 VAL 97 CA -0.0760 -0.0097 0.0329 2 PRO 98 CA -0.0323 0.0160 0.0060 3 SER 99 CA -0.0160 0.0735 0.0251 4 GLN 100 CA -0.0346 0.0060 0.0077 5 LYS 101 CA -0.0347 0.0137 0.0076 6 THR 102 CA -0.0285 0.0205 0.0052 7 TYR 103 CA -0.0175 0.0193 0.0032 8 GLN 104 CA -0.0032 0.0229 0.0081 9 GLY 105 CA 0.0055 0.0184 0.0018 10 SER 106 CA 0.0213 0.0196 -0.0006 11 TYR 107 CA 0.0222 0.0205 -0.0001 12 GLY 108 CA 0.0120 0.0277 0.0123 13 PHE 109 CA -0.0016 0.0213 0.0070 14 ARG 110 CA -0.0108 0.0238 0.0154 15 LEU 111 CA -0.0183 0.0214 0.0164 16 GLY 112 CA -0.0220 0.0170 0.0179 17 PHE 113 CA -0.0196 -0.0197 0.0017 18 LEU 114 CA -0.0328 -0.0278 -0.0010 19 HIS 115 CA -0.0354 -0.0433 0.0147 20 SER 116 CA -0.0507 -0.0460 0.0126 21 GLY 117 CA -0.0418 -0.0612 0.0178 22 THR 118 CA -0.0357 -0.0538 0.0126 23 ALA 119 CA -0.0455 -0.0479 0.0193 24 LYS 120 CA -0.0455 -0.0317 0.0173 25 SER 121 CA -0.0563 -0.0252 0.0229 26 VAL 122 CA -0.0488 -0.0269 0.0183 27 THR 123 CA -0.0425 -0.0129 0.0157 28 CYS 124 CA -0.0340 -0.0172 0.0145 29 THR 125 CA -0.0328 -0.0319 0.0080 30 TYR 126 CA -0.0291 -0.0345 0.0069 31 SER 127 CA -0.0246 -0.0472 -0.0066 32 PRO 128 CA -0.0309 -0.0545 -0.0097 33 ALA 129 CA -0.0177 -0.0595 -0.0159 34 LEU 130 CA -0.0089 -0.0484 -0.0037 35 ASN 131 CA -0.0199 -0.0391 -0.0049 36 LYS 132 CA -0.0193 -0.0320 -0.0053 37 MET 133 CA -0.0250 -0.0242 0.0016 38 MET 133 CA -0.0252 -0.0246 0.0015 39 PHE 134 CA -0.0181 -0.0165 0.0037 40 CYS 135 CA -0.0245 -0.0083 0.0084 41 GLN 136 CA -0.0282 0.0005 0.0099 42 LEU 137 CA -0.0250 0.0089 0.0052 43 ALA 138 CA -0.0321 0.0120 0.0043 44 LYS 139 CA -0.0402 0.0026 0.0076 45 THR 140 CA -0.0394 -0.0027 0.0063 46 CYS 141 CA -0.0302 -0.0057 0.0085 47 CYS 141 CA -0.0304 -0.0057 0.0084 48 PRO 142 CA -0.0299 0.0017 0.0062 49 VAL 143 CA -0.0242 0.0120 0.0112 50 GLN 144 CA -0.0321 0.0245 0.0078 51 LEU 145 CA -0.0174 0.0218 0.0057 52 TRP 146 CA -0.0069 0.0238 0.0127 53 VAL 147 CA 0.0129 0.0247 0.0096 54 ASP 148 CA 0.0282 0.0332 0.0163 55 SER 149 CA 0.0379 0.0262 0.0024 56 THR 150 CA 0.0368 0.0169 -0.0118 57 THR 150 CA 0.0372 0.0167 -0.0118 58 PRO 151 CA 0.0309 0.0077 -0.0091 59 PRO 152 CA 0.0371 -0.0097 -0.0111 60 PRO 153 CA 0.0483 -0.0168 -0.0045 61 GLY 154 CA 0.0276 -0.0147 -0.0237 62 THR 155 CA 0.0178 -0.0047 -0.0179 63 ARG 156 CA -0.0105 0.0023 -0.0178 64 VAL 157 CA -0.0257 0.0119 -0.0120 65 ARG 158 CA -0.0334 0.0124 -0.0169 66 ALA 159 CA -0.0280 0.0019 -0.0091 67 MET 160 CA -0.0240 0.0007 -0.0052 68 ALA 161 CA -0.0234 0.0019 -0.0068 69 ILE 162 CA -0.0184 -0.0015 -0.0022 70 TYR 163 CA -0.0141 -0.0043 -0.0063 71 LYS 164 CA -0.0134 -0.0129 -0.0164 72 GLN 165 CA -0.0028 -0.0124 -0.0266 73 SER 166 CA -0.0089 -0.0098 -0.0172 74 GLN 167 CA 0.0121 -0.0041 -0.0054 75 HIS 168 CA 0.0045 -0.0001 0.0004 76 MET 169 CA -0.0141 -0.0003 -0.0003 77 THR 170 CA -0.0150 0.0190 0.0227 78 GLU 171 CA -0.0049 0.0050 0.0149 79 VAL 172 CA -0.0209 0.0035 -0.0101 80 VAL 173 CA -0.0210 0.0042 -0.0048 81 ARG 174 CA -0.0244 0.0125 0.0026 82 ARG 174 CA -0.0244 0.0125 0.0026 83 ARG 175 CA -0.0128 0.0166 0.0041 84 CYS 176 CA -0.0069 0.0229 0.0001 85 PRO 177 CA -0.0064 0.0213 0.0010 86 HIS 178 CA 0.0034 0.0442 0.0134 87 HIS 179 CA 0.0091 0.0325 0.0214 88 GLU 180 CA 0.0072 0.0054 0.0232 89 ARG 181 CA 0.0257 -0.0003 0.0335 90 CYS 182 CA 0.0545 0.0385 0.0663 91 SER 183 CA 0.1843 0.0149 0.0030 92 ASP 184 CA 0.2940 0.0960 0.0602 93 SER 185 CA 0.3947 0.0509 -0.0031 94 ASP 186 CA 0.4404 0.0891 -0.0137 95 GLY 187 CA 0.3698 -0.0864 0.1242 96 LEU 188 CA 0.1562 -0.0373 0.0703 97 ALA 189 CA 0.0192 0.0259 0.0016 98 PRO 190 CA 0.0094 -0.0343 0.0515 99 PRO 191 CA 0.0118 -0.0017 0.0314 100 GLN 192 CA -0.0118 0.0004 0.0210 101 GLN 192 CA -0.0119 0.0002 0.0210 102 HIS 193 CA -0.0195 0.0149 0.0090 103 LEU 194 CA -0.0181 0.0130 0.0024 104 ILE 195 CA -0.0213 0.0116 -0.0001 105 ARG 196 CA -0.0110 0.0195 -0.0084 106 VAL 197 CA -0.0273 0.0098 -0.0032 107 GLU 198 CA -0.0360 0.0116 -0.0017 108 GLY 199 CA -0.0303 0.0092 0.0050 109 ASN 200 CA -0.0091 0.0061 -0.0142 110 LEU 201 CA -0.0082 -0.0066 -0.0296 111 ARG 202 CA -0.0081 -0.0012 -0.0228 112 VAL 203 CA -0.0086 -0.0028 -0.0200 113 GLU 204 CA -0.0138 -0.0088 0.0277 114 TYR 205 CA -0.0167 -0.0081 0.0243 115 LEU 206 CA -0.0253 -0.0114 0.0226 116 ASP 207 CA -0.0221 0.0010 -0.0083 117 ASP 208 CA 0.0024 -0.0187 -0.0263 118 ARG 209 CA 0.0110 -0.0137 -0.0610 119 ASN 210 CA 0.0282 -0.0248 -0.0835 120 THR 211 CA 0.0176 -0.0217 -0.0611 121 PHE 212 CA -0.0101 0.0053 -0.0467 122 ARG 213 CA -0.0191 -0.0040 -0.0040 123 HIS 214 CA -0.0224 -0.0015 0.0047 124 SER 215 CA -0.0243 -0.0026 0.0025 125 VAL 216 CA -0.0218 0.0018 -0.0079 126 VAL 217 CA -0.0394 0.0093 -0.0208 127 VAL 218 CA -0.0194 0.0101 -0.0134 128 PRO 219 CA -0.0011 0.0052 -0.0137 129 TYR 220 CA 0.0024 0.0118 -0.0010 130 GLU 221 CA 0.0084 0.0176 -0.0238 131 PRO 222 CA 0.0192 0.0227 -0.0103 132 PRO 223 CA 0.0117 0.0234 0.0071 133 GLU 224 CA 0.0059 0.0230 0.0058 134 VAL 225 CA 0.0177 0.0315 0.0195 135 GLY 226 CA 0.0015 0.0420 0.0601 136 SER 227 CA 0.0012 0.0366 0.0405 137 ASP 228 CA 0.0136 0.0328 0.0396 138 CYS 229 CA -0.0000 0.0284 0.0177 139 THR 230 CA -0.0062 0.0198 0.0058 140 THR 231 CA -0.0259 0.0180 0.0014 141 ILE 232 CA -0.0275 0.0143 -0.0012 142 HIS 233 CA -0.0309 0.0063 0.0005 143 TYR 234 CA -0.0254 0.0063 0.0037 144 ASN 235 CA -0.0272 0.0081 0.0036 145 TYR 236 CA -0.0198 0.0112 0.0017 146 MET 237 CA -0.0188 0.0170 0.0021 147 CYS 238 CA -0.0114 0.0181 -0.0021 148 CYS 238 CA -0.0114 0.0181 -0.0021 149 ASN 239 CA -0.0100 0.0134 -0.0015 150 SER 240 CA -0.0053 0.0101 -0.0068 151 SER 241 CA -0.0039 0.0167 -0.0113 152 CYS 242 CA -0.0049 0.0226 -0.0081 153 MET 243 CA -0.0016 0.0294 -0.0132 154 GLY 244 CA -0.0033 0.0276 -0.0139 155 GLY 245 CA -0.0063 0.0185 -0.0091 156 MET 246 CA -0.0067 0.0090 -0.0152 157 ASN 247 CA -0.0036 0.0156 -0.0188 158 ARG 248 CA -0.0042 0.0117 -0.0157 159 ARG 249 CA -0.0015 0.0067 -0.0162 160 PRO 250 CA -0.0047 -0.0032 -0.0133 161 ILE 251 CA -0.0145 -0.0079 -0.0038 162 LEU 252 CA -0.0189 -0.0133 0.0016 163 THR 253 CA -0.0234 -0.0080 -0.0001 164 ILE 254 CA -0.0237 -0.0007 -0.0020 165 ILE 255 CA -0.0261 0.0061 -0.0074 166 THR 256 CA -0.0240 0.0107 -0.0110 167 LEU 257 CA -0.0101 0.0069 -0.0090 168 GLU 258 CA -0.0061 -0.0010 -0.0220 169 ASP 259 CA 0.0178 -0.0132 -0.0298 170 SER 260 CA 0.0201 -0.0223 -0.0494 171 SER 261 CA 0.0230 -0.0339 -0.0784 172 GLY 262 CA -0.0044 -0.0221 -0.0701 173 ASN 263 CA 0.0096 -0.0186 -0.0510 174 LEU 264 CA -0.0045 -0.0051 -0.0259 175 LEU 265 CA 0.0054 0.0001 -0.0115 176 GLY 266 CA -0.0073 0.0090 -0.0051 177 ARG 267 CA -0.0209 0.0125 -0.0037 178 ASN 268 CA -0.0260 0.0149 0.0007 179 SER 269 CA -0.0246 0.0048 -0.0012 180 PHE 270 CA -0.0236 -0.0218 0.0006 181 GLU 271 CA -0.0155 -0.0183 -0.0022 182 VAL 272 CA -0.0169 -0.0124 -0.0002 183 ARG 273 CA -0.0083 -0.0054 -0.0015 184 VAL 274 CA -0.0122 0.0016 0.0026 185 CYS 275 CA -0.0135 0.0024 0.0021 186 ALA 276 CA -0.0210 0.0013 0.0056 187 CYS 277 CA -0.0218 -0.0099 0.0058 188 CYS 277 CA -0.0217 -0.0099 0.0058 189 PRO 278 CA -0.0214 -0.0185 0.0055 190 GLY 279 CA -0.0252 -0.0368 0.0080 191 ARG 280 CA -0.0125 -0.0365 0.0010 192 ASP 281 CA -0.0003 -0.0289 -0.0056 193 ARG 282 CA -0.0042 -0.0437 -0.0032 194 ARG 283 CA -0.0013 -0.0632 -0.0060 195 THR 284 CA 0.0213 -0.0551 -0.0155 196 GLU 285 CA 0.0302 -0.0500 -0.0168 197 GLU 286 CA 0.0192 -0.0753 -0.0194 198 GLU 287 CA 0.0342 -0.0905 -0.0262 199 ASN 288 CA 0.0609 -0.0839 -0.0330 200 ZN 301 ZN -0.0039 0.0241 0.0006 201 ACT 302 C 0.0429 0.0284 0.0072 202 ACT 302 O 0.0453 0.0319 0.0135 203 ACT 302 CH3 0.0376 0.0273 0.0057 204 ACT 302 OXT 0.0437 0.0251 0.0024