REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2l85_1_A DATA FIRST_RESID 1077 DATA SEQUENCE GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DATA SEQUENCE DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK DATA SEQUENCE FCSKLAEVFE QEIDPVMQSL G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1077 G HA2 0.000 nan 3.960 nan 0.000 0.244 1077 G HA3 0.000 3.930 3.960 -0.050 0.000 0.244 1077 G C 0.000 174.691 174.900 -0.348 0.000 0.946 1077 G CA 0.000 44.971 45.100 -0.215 0.000 0.502 1078 S N 1.642 117.043 115.700 -0.499 0.000 3.432 1078 S HA -0.267 4.018 4.470 -0.309 0.000 0.521 1078 S C -1.910 172.522 174.600 -0.279 0.000 0.696 1078 S CA 0.395 58.394 58.200 -0.335 0.000 1.382 1078 S CB -0.589 62.523 63.200 -0.147 0.000 0.981 1078 S HN -0.080 7.927 8.310 -0.505 0.000 0.813 1079 H N -2.627 116.426 119.070 -0.029 0.000 2.904 1079 H HA 0.280 4.836 4.556 -0.001 0.000 0.290 1079 H C -0.923 174.372 175.328 -0.055 0.000 1.437 1079 H CA -1.460 54.573 56.048 -0.025 0.000 1.147 1079 H CB 1.285 31.028 29.762 -0.030 0.000 1.824 1079 H HN -0.316 7.739 8.280 -0.375 0.000 0.505 1080 M N -1.474 118.212 119.600 0.144 0.000 7.319 1080 M HA -0.548 3.916 4.480 -0.025 0.000 0.279 1080 M C -1.478 174.768 176.300 -0.089 0.000 0.480 1080 M CA 3.313 58.586 55.300 -0.044 0.000 1.311 1080 M CB -0.398 32.110 32.600 -0.154 0.000 0.421 1080 M HN 0.624 9.003 8.290 0.149 0.000 0.394 1081 R N 0.316 120.701 120.500 -0.192 0.000 2.255 1081 R HA 0.125 4.658 4.340 0.322 0.000 0.326 1081 R C -1.276 175.044 176.300 0.033 0.000 0.986 1081 R CA -0.024 56.055 56.100 -0.035 0.000 0.847 1081 R CB 0.591 30.704 30.300 -0.310 0.000 1.111 1081 R HN -0.078 8.048 8.270 -0.241 0.000 0.452 1082 K N 2.756 123.191 120.400 0.057 0.000 3.157 1082 K HA 0.015 4.265 4.320 -0.118 0.000 0.227 1082 K C -1.079 175.287 176.600 -0.389 0.000 2.067 1082 K CA 0.078 56.288 56.287 -0.129 0.000 1.439 1082 K CB 1.746 34.223 32.500 -0.038 0.000 2.372 1082 K HN 0.237 8.603 8.250 0.194 0.000 0.557 1083 K N -0.140 119.798 120.400 -0.769 0.000 2.117 1083 K HA 0.047 4.091 4.320 -0.459 0.000 0.240 1083 K C 0.593 176.469 176.600 -1.206 0.000 1.031 1083 K CA -0.240 55.538 56.287 -0.848 0.000 0.909 1083 K CB 0.911 33.071 32.500 -0.567 0.000 1.097 1083 K HN -0.194 7.646 8.250 -0.684 0.000 0.492 1084 I N -0.495 119.726 120.570 -0.582 0.000 2.493 1084 I HA -0.179 3.836 4.170 -0.259 0.000 0.254 1084 I C -1.375 174.665 176.117 -0.128 0.000 1.160 1084 I CA 0.652 61.774 61.300 -0.297 0.000 1.445 1084 I CB 0.144 38.081 38.000 -0.107 0.000 1.086 1084 I HN 0.047 8.024 8.210 -0.389 0.000 0.433 1085 F N -6.117 113.872 119.950 0.066 0.000 2.121 1085 F HA -0.247 4.317 4.527 0.062 0.000 0.470 1085 F C -2.308 173.557 175.800 0.109 0.000 1.232 1085 F CA 0.489 58.541 58.000 0.087 0.000 1.518 1085 F CB -0.766 38.307 39.000 0.121 0.000 2.410 1085 F HN -0.405 7.654 8.300 -0.346 0.034 0.729 1086 K N 1.107 121.691 120.400 0.307 0.000 2.316 1086 K HA 0.390 4.841 4.320 0.218 0.000 0.251 1086 K C -1.784 174.962 176.600 0.242 0.000 0.934 1086 K CA -2.813 53.606 56.287 0.219 0.000 0.802 1086 K CB 1.658 34.238 32.500 0.134 0.000 1.171 1086 K HN -0.136 8.304 8.250 0.316 0.000 0.426 1087 P HA -0.048 4.715 4.420 0.572 0.000 0.221 1087 P C 1.332 178.740 177.300 0.180 0.000 1.145 1087 P CA 2.217 65.505 63.100 0.312 0.000 0.795 1087 P CB 0.335 32.128 31.700 0.154 0.000 0.775 1088 E N -3.617 116.654 120.200 0.119 0.000 2.107 1088 E HA -0.310 4.079 4.350 0.065 0.000 0.191 1088 E C 1.984 178.622 176.600 0.062 0.000 0.982 1088 E CA 3.289 59.733 56.400 0.075 0.000 0.809 1088 E CB -0.413 29.321 29.700 0.057 0.000 0.756 1088 E HN 0.599 8.982 8.360 0.120 0.049 0.459 1089 E N -0.183 120.066 120.200 0.081 0.000 2.060 1089 E HA -0.178 4.200 4.350 0.047 0.000 0.189 1089 E C 2.492 179.112 176.600 0.034 0.000 0.974 1089 E CA 2.192 58.633 56.400 0.069 0.000 0.808 1089 E CB -0.061 29.703 29.700 0.108 0.000 0.768 1089 E HN -0.490 7.838 8.360 0.109 0.098 0.453 1090 L N -1.138 120.105 121.223 0.032 0.000 1.978 1090 L HA -0.496 3.737 4.340 -0.180 0.000 0.218 1090 L C 2.123 178.881 176.870 -0.187 0.000 1.075 1090 L CA 4.012 58.765 54.840 -0.144 0.000 0.767 1090 L CB -0.828 41.073 42.059 -0.264 0.000 0.890 1090 L HN 0.661 8.847 8.230 0.106 0.108 0.434 1091 R N -2.747 117.707 120.500 -0.077 0.000 2.103 1091 R HA -0.521 3.729 4.340 -0.151 0.000 0.242 1091 R C 2.348 178.605 176.300 -0.073 0.000 1.142 1091 R CA 3.711 59.767 56.100 -0.073 0.000 0.960 1091 R CB -0.353 29.958 30.300 0.019 0.000 0.858 1091 R HN -0.186 7.989 8.270 0.028 0.112 0.439 1092 Q N -0.785 118.994 119.800 -0.035 0.000 2.242 1092 Q HA -0.307 4.023 4.340 -0.016 0.000 0.211 1092 Q C 0.836 176.808 176.000 -0.045 0.000 0.992 1092 Q CA 2.790 58.578 55.803 -0.025 0.000 0.889 1092 Q CB -0.203 28.532 28.738 -0.005 0.000 0.913 1092 Q HN -0.432 7.758 8.270 -0.013 0.073 0.422 1093 A N -2.576 120.194 122.820 -0.084 0.000 1.909 1093 A HA -0.054 4.226 4.320 -0.065 0.000 0.210 1093 A C 1.573 179.062 177.584 -0.159 0.000 1.273 1093 A CA 1.965 53.940 52.037 -0.103 0.000 0.654 1093 A CB 1.225 20.163 19.000 -0.104 0.000 0.945 1093 A HN -0.312 7.640 8.150 -0.098 0.140 0.471 1094 L N -1.980 119.051 121.223 -0.320 0.000 2.549 1094 L HA -0.080 3.955 4.340 -0.509 0.000 0.230 1094 L C 2.425 179.151 176.870 -0.240 0.000 1.162 1094 L CA 1.978 56.464 54.840 -0.590 0.000 0.834 1094 L CB -1.093 40.175 42.059 -1.320 0.000 0.947 1094 L HN 0.537 8.457 8.230 -0.339 0.107 0.452 1095 M N 1.585 121.122 119.600 -0.105 0.000 2.155 1095 M HA 0.092 4.583 4.480 0.019 0.000 0.258 1095 M C -1.863 174.459 176.300 0.036 0.000 1.092 1095 M CA 2.995 58.288 55.300 -0.012 0.000 1.153 1095 M CB -2.652 29.935 32.600 -0.022 0.000 1.316 1095 M HN 0.577 8.632 8.290 -0.123 0.161 0.431 1096 P HA -0.240 4.381 4.420 0.038 -0.179 0.219 1096 P C 1.722 179.082 177.300 0.099 0.000 1.146 1096 P CA 2.785 65.910 63.100 0.041 0.000 0.808 1096 P CB -0.540 31.169 31.700 0.015 0.000 0.779 1097 T N -2.108 112.523 114.554 0.127 0.000 2.698 1097 T HA -0.308 4.107 4.350 0.109 0.000 0.260 1097 T C 1.442 176.505 174.700 0.605 0.000 1.044 1097 T CA 3.886 66.127 62.100 0.235 0.000 1.149 1097 T CB -0.286 68.651 68.868 0.115 0.000 0.864 1097 T HN -0.492 7.762 8.240 0.073 0.030 0.419 1098 L N 1.431 123.030 121.223 0.627 0.000 2.187 1098 L HA -0.219 4.359 4.340 0.397 0.000 0.213 1098 L C 1.670 178.734 176.870 0.324 0.000 1.100 1098 L CA 2.162 57.278 54.840 0.458 0.000 0.765 1098 L CB -1.009 41.260 42.059 0.349 0.000 0.904 1098 L HN -0.526 8.017 8.230 0.523 0.000 0.437 1099 E N 0.225 120.554 120.200 0.215 0.000 2.107 1099 E HA -0.395 3.988 4.350 0.055 0.000 0.191 1099 E C 1.462 178.198 176.600 0.228 0.000 0.982 1099 E CA 3.305 59.788 56.400 0.138 0.000 0.809 1099 E CB -0.213 29.524 29.700 0.061 0.000 0.756 1099 E HN 0.265 8.685 8.360 0.211 0.066 0.459 1100 A N -0.686 122.283 122.820 0.249 0.000 2.070 1100 A HA -0.191 4.230 4.320 0.169 0.000 0.220 1100 A C 1.481 179.234 177.584 0.282 0.000 1.159 1100 A CA 2.346 54.521 52.037 0.230 0.000 0.656 1100 A CB -0.454 18.664 19.000 0.196 0.000 0.800 1100 A HN -0.210 7.887 8.150 0.260 0.209 0.453 1101 L N -2.492 118.954 121.223 0.371 0.000 2.023 1101 L HA -0.361 4.147 4.340 0.279 0.000 0.205 1101 L C 2.195 179.209 176.870 0.240 0.000 1.073 1101 L CA 2.673 57.689 54.840 0.293 0.000 0.745 1101 L CB 0.251 42.416 42.059 0.178 0.000 0.900 1101 L HN -0.583 7.738 8.230 0.427 0.166 0.435 1102 Y N -0.650 119.710 120.300 0.100 0.000 2.165 1102 Y HA -0.323 4.268 4.550 0.070 0.000 0.286 1102 Y C 2.434 178.371 175.900 0.062 0.000 1.155 1102 Y CA 3.299 61.443 58.100 0.073 0.000 1.164 1102 Y CB -0.301 38.196 38.460 0.063 0.000 0.978 1102 Y HN -0.273 8.282 8.280 0.565 0.064 0.513 1103 R N -2.317 118.317 120.500 0.224 0.000 2.303 1103 R HA -0.294 4.120 4.340 0.124 0.000 0.225 1103 R C 1.081 177.428 176.300 0.079 0.000 1.114 1103 R CA 1.939 58.117 56.100 0.131 0.000 1.007 1103 R CB -0.805 29.561 30.300 0.111 0.000 0.861 1103 R HN 0.196 8.621 8.270 0.257 0.000 0.471 1104 Q N -2.017 117.829 119.800 0.076 0.000 2.373 1104 Q HA 0.008 4.354 4.340 0.009 0.000 0.206 1104 Q C -0.728 175.258 176.000 -0.023 0.000 0.942 1104 Q CA -0.949 54.868 55.803 0.023 0.000 0.953 1104 Q CB -1.250 27.514 28.738 0.043 0.000 1.022 1104 Q HN -0.454 7.685 8.270 0.113 0.198 0.502 1105 D N -0.590 119.806 120.400 -0.007 0.000 3.508 1105 D HA -0.427 4.250 4.640 -0.026 -0.052 0.499 1105 D C -0.371 175.891 176.300 -0.063 0.000 0.539 1105 D CA 4.984 58.965 54.000 -0.032 0.000 1.378 1105 D CB -2.723 38.064 40.800 -0.023 0.000 0.364 1105 D HN 0.290 8.463 8.370 0.031 0.216 0.248 1106 P HA -0.095 4.333 4.420 0.013 0.000 0.214 1106 P C 0.474 177.730 177.300 -0.073 0.000 1.162 1106 P CA 2.115 65.161 63.100 -0.090 0.000 0.874 1106 P CB -0.023 31.541 31.700 -0.227 0.000 0.784 1107 E N -4.811 115.208 120.200 -0.302 0.000 2.187 1107 E HA -0.399 3.735 4.350 -0.359 0.000 0.199 1107 E C 1.012 177.748 176.600 0.227 0.000 1.004 1107 E CA 2.605 58.927 56.400 -0.131 0.000 0.813 1107 E CB 0.083 29.709 29.700 -0.122 0.000 0.736 1107 E HN -0.173 7.984 8.360 -0.339 0.000 0.468 1108 S N -3.404 112.362 115.700 0.110 0.000 2.483 1108 S HA -0.086 4.684 4.470 0.500 0.000 0.221 1108 S C 1.685 176.228 174.600 -0.096 0.000 1.030 1108 S CA 2.531 60.819 58.200 0.146 0.000 0.925 1108 S CB 0.593 63.782 63.200 -0.019 0.000 0.795 1108 S HN -0.797 7.490 8.310 0.015 0.032 0.511 1109 L N 3.464 124.605 121.223 -0.137 0.000 2.034 1109 L HA -0.135 4.074 4.340 -0.219 0.000 0.217 1109 L C -1.658 174.994 176.870 -0.364 0.000 1.077 1109 L CA 5.118 59.839 54.840 -0.198 0.000 0.769 1109 L CB -2.522 39.499 42.059 -0.063 0.000 0.890 1109 L HN -0.805 7.277 8.230 -0.052 0.117 0.435 1110 P HA -0.040 4.053 4.420 -0.546 0.000 0.247 1110 P C -1.010 175.791 177.300 -0.832 0.000 1.225 1110 P CA 1.202 63.783 63.100 -0.864 0.000 0.768 1110 P CB -0.580 30.442 31.700 -1.129 0.000 1.020 1111 F N -5.248 114.624 119.950 -0.131 0.000 2.463 1111 F HA 0.253 4.703 4.527 -0.129 0.000 0.271 1111 F C 1.421 177.108 175.800 -0.189 0.000 0.888 1111 F CA -0.107 57.797 58.000 -0.161 0.000 1.149 1111 F CB 0.379 39.257 39.000 -0.202 0.000 1.071 1111 F HN -0.451 7.269 8.300 -0.562 0.243 0.802 1112 R N -1.609 118.816 120.500 -0.126 0.000 2.206 1112 R HA -0.446 3.725 4.340 -0.282 0.000 0.240 1112 R C 0.315 176.567 176.300 -0.079 0.000 1.117 1112 R CA 3.209 59.128 56.100 -0.301 0.000 0.915 1112 R CB -0.057 29.829 30.300 -0.691 0.000 0.888 1112 R HN 0.027 8.102 8.270 -0.141 0.111 0.432 1113 Q N -1.273 118.468 119.800 -0.099 0.000 2.214 1113 Q HA 0.248 4.588 4.340 -0.001 0.000 0.251 1113 Q C -2.505 173.460 176.000 -0.058 0.000 0.936 1113 Q CA -2.643 53.132 55.803 -0.047 0.000 0.894 1113 Q CB 0.197 28.902 28.738 -0.054 0.000 1.252 1113 Q HN -0.712 7.462 8.270 -0.159 0.000 0.448 1114 P HA -0.262 4.593 4.420 0.032 -0.416 0.259 1114 P C 0.468 177.690 177.300 -0.130 0.000 1.163 1114 P CA 0.476 63.563 63.100 -0.021 0.000 0.760 1114 P CB 0.160 31.869 31.700 0.015 0.000 0.762 1115 V N -0.194 119.600 119.914 -0.199 0.000 2.311 1115 V HA -0.550 3.357 4.120 -0.355 0.000 0.256 1115 V C -0.014 175.847 176.094 -0.388 0.000 1.077 1115 V CA 2.341 64.401 62.300 -0.400 0.000 1.067 1115 V CB -0.016 31.329 31.823 -0.798 0.000 0.659 1115 V HN 0.005 8.249 8.190 -0.105 -0.118 0.451 1116 D N -3.760 116.427 120.400 -0.355 0.000 3.061 1116 D HA -0.058 4.434 4.640 -0.247 0.000 0.252 1116 D C -1.181 174.934 176.300 -0.309 0.000 1.080 1116 D CA 0.360 54.193 54.000 -0.278 0.000 0.871 1116 D CB -1.327 39.359 40.800 -0.190 0.000 1.018 1116 D HN 0.248 8.399 8.370 -0.347 0.011 0.425 1117 P HA -0.282 3.982 4.420 -0.260 0.000 0.222 1117 P C 0.718 177.920 177.300 -0.163 0.000 1.142 1117 P CA 2.150 65.090 63.100 -0.266 0.000 0.788 1117 P CB 0.019 31.564 31.700 -0.259 0.000 0.767 1118 Q N -4.697 115.010 119.800 -0.156 0.000 2.187 1118 Q HA -0.209 4.080 4.340 -0.085 0.000 0.199 1118 Q C 1.456 177.398 176.000 -0.097 0.000 0.957 1118 Q CA 2.456 58.197 55.803 -0.104 0.000 0.857 1118 Q CB -0.344 28.341 28.738 -0.089 0.000 0.929 1118 Q HN 0.354 8.451 8.270 -0.185 0.062 0.453 1119 L N -1.746 119.404 121.223 -0.122 0.000 2.116 1119 L HA -0.141 4.147 4.340 -0.087 0.000 0.200 1119 L C 1.684 178.483 176.870 -0.119 0.000 1.084 1119 L CA 1.668 56.441 54.840 -0.111 0.000 0.766 1119 L CB 0.703 42.689 42.059 -0.122 0.000 0.930 1119 L HN -0.152 7.839 8.230 -0.150 0.149 0.453 1120 L N -4.822 116.303 121.223 -0.162 0.000 2.642 1120 L HA -0.163 4.088 4.340 -0.149 0.000 0.236 1120 L C 1.006 177.805 176.870 -0.119 0.000 1.169 1120 L CA 0.671 55.411 54.840 -0.166 0.000 0.851 1120 L CB -0.751 41.161 42.059 -0.245 0.000 0.968 1120 L HN -0.097 8.014 8.230 -0.198 0.000 0.453 1121 G N -1.863 106.881 108.800 -0.093 0.000 2.225 1121 G HA2 -0.404 3.526 3.960 -0.049 0.000 0.264 1121 G HA3 -0.404 3.528 3.960 -0.046 0.000 0.264 1121 G C -0.416 174.469 174.900 -0.025 0.000 1.060 1121 G CA 0.355 45.422 45.100 -0.054 0.000 0.833 1121 G HN 0.215 8.324 8.290 -0.104 0.119 0.498 1122 I N -1.052 119.499 120.570 -0.032 0.000 2.336 1122 I HA 0.342 4.577 4.170 0.108 0.000 0.292 1122 I C -2.167 173.977 176.117 0.045 0.000 0.991 1122 I CA -3.001 58.334 61.300 0.059 0.000 1.227 1122 I CB 0.450 38.529 38.000 0.132 0.000 1.366 1122 I HN -0.090 7.958 8.210 -0.083 0.112 0.466 1123 P HA 0.126 4.551 4.420 0.008 0.000 0.214 1123 P C -0.346 176.981 177.300 0.045 0.000 1.144 1123 P CA 1.010 64.133 63.100 0.038 0.000 0.884 1123 P CB 0.859 32.580 31.700 0.035 0.000 0.784 1124 D N -1.082 119.361 120.400 0.073 0.000 2.738 1124 D HA 0.180 4.854 4.640 0.056 0.000 0.246 1124 D C 0.404 176.756 176.300 0.087 0.000 1.270 1124 D CA -0.115 53.918 54.000 0.056 0.000 0.833 1124 D CB 0.234 41.039 40.800 0.009 0.000 1.040 1124 D HN 0.465 8.889 8.370 0.088 0.000 0.487 1125 Y N 0.961 121.278 120.300 0.029 0.000 2.128 1125 Y HA -0.396 4.325 4.550 0.285 0.000 0.284 1125 Y C 0.222 176.246 175.900 0.208 0.000 1.154 1125 Y CA 3.850 62.020 58.100 0.116 0.000 1.149 1125 Y CB 0.257 38.693 38.460 -0.040 0.000 0.976 1125 Y HN -0.105 8.229 8.280 0.202 0.067 0.505 1126 F N -6.709 113.355 119.950 0.190 0.000 2.740 1126 F HA 0.109 4.846 4.527 0.100 -0.150 0.294 1126 F C 0.236 176.044 175.800 0.014 0.000 1.225 1126 F CA -1.346 56.712 58.000 0.097 0.000 1.426 1126 F CB -1.712 37.347 39.000 0.099 0.000 1.021 1126 F HN 0.103 8.501 8.300 0.163 0.000 0.508 1127 D N -0.476 120.004 120.400 0.133 0.000 2.331 1127 D HA 0.093 4.759 4.640 0.043 0.000 0.300 1127 D C 0.143 176.407 176.300 -0.060 0.000 1.090 1127 D CA 0.952 54.968 54.000 0.027 0.000 0.905 1127 D CB 2.184 42.989 40.800 0.007 0.000 1.600 1127 D HN -0.819 7.454 8.370 0.093 0.152 0.511 1128 I N -1.160 119.319 120.570 -0.153 0.000 2.270 1128 I HA -0.218 3.798 4.170 -0.256 0.000 0.239 1128 I C 0.220 176.219 176.117 -0.197 0.000 1.080 1128 I CA 2.655 63.780 61.300 -0.291 0.000 1.383 1128 I CB 1.270 38.867 38.000 -0.672 0.000 1.097 1128 I HN -0.463 7.569 8.210 -0.135 0.096 0.420 1129 V N -0.834 118.971 119.914 -0.182 0.000 2.364 1129 V HA 0.107 4.198 4.120 -0.049 0.000 0.272 1129 V C -0.771 175.337 176.094 0.023 0.000 1.036 1129 V CA -0.914 61.348 62.300 -0.063 0.000 0.880 1129 V CB 0.673 32.449 31.823 -0.077 0.000 0.991 1129 V HN -0.114 7.929 8.190 -0.245 0.000 0.460 1130 K N 7.462 127.859 120.400 -0.005 0.000 2.365 1130 K HA -0.052 4.252 4.320 -0.026 0.000 0.197 1130 K C -0.949 175.621 176.600 -0.050 0.000 1.042 1130 K CA 1.431 57.703 56.287 -0.025 0.000 0.987 1130 K CB 0.312 32.795 32.500 -0.028 0.000 0.779 1130 K HN 0.473 8.717 8.250 -0.010 0.000 0.484 1131 N N -3.058 115.629 118.700 -0.022 0.000 2.732 1131 N HA 0.336 5.028 4.740 -0.080 0.000 0.247 1131 N C -2.118 173.394 175.510 0.003 0.000 1.305 1131 N CA -1.589 51.436 53.050 -0.042 0.000 0.762 1131 N CB 0.796 39.247 38.487 -0.060 0.000 1.361 1131 N HN -0.468 7.877 8.380 0.004 0.038 0.545 1132 P HA -0.032 4.655 4.420 0.199 -0.148 0.229 1132 P C -0.036 177.289 177.300 0.042 0.000 1.160 1132 P CA 0.430 63.632 63.100 0.170 0.000 0.777 1132 P CB 0.602 32.533 31.700 0.386 0.000 0.814 1133 M N -1.538 118.043 119.600 -0.031 0.000 3.671 1133 M HA -0.404 4.029 4.480 -0.079 0.000 0.160 1133 M C -1.873 174.368 176.300 -0.099 0.000 1.471 1133 M CA 0.377 55.620 55.300 -0.095 0.000 0.982 1133 M CB -0.473 32.025 32.600 -0.170 0.000 1.317 1133 M HN -0.053 8.169 8.290 -0.034 0.047 0.466 1134 D N 1.169 121.556 120.400 -0.022 0.000 2.423 1134 D HA -0.122 4.621 4.640 0.043 -0.077 0.238 1134 D C 1.106 177.387 176.300 -0.033 0.000 1.142 1134 D CA 1.207 55.210 54.000 0.006 0.000 0.884 1134 D CB 0.915 41.738 40.800 0.038 0.000 1.199 1134 D HN 0.010 8.380 8.370 -0.001 0.000 0.438 1135 L N 0.959 122.174 121.223 -0.015 0.000 2.549 1135 L HA -0.257 4.026 4.340 -0.096 0.000 0.230 1135 L C 1.856 178.844 176.870 0.196 0.000 1.162 1135 L CA 2.270 57.132 54.840 0.036 0.000 0.834 1135 L CB -0.464 41.633 42.059 0.064 0.000 0.947 1135 L HN 0.216 8.359 8.230 0.013 0.094 0.452 1136 S N -1.190 114.598 115.700 0.148 0.000 2.421 1136 S HA -0.065 4.531 4.470 0.210 0.000 0.224 1136 S C 1.750 176.394 174.600 0.074 0.000 1.035 1136 S CA 2.667 60.957 58.200 0.151 0.000 0.953 1136 S CB -0.448 62.825 63.200 0.123 0.000 0.810 1136 S HN -0.338 7.937 8.310 0.087 0.087 0.497 1137 T N 5.852 120.428 114.554 0.035 0.000 2.777 1137 T HA -0.272 4.085 4.350 0.012 0.000 0.266 1137 T C 1.913 176.616 174.700 0.006 0.000 1.040 1137 T CA 4.509 66.614 62.100 0.007 0.000 1.141 1137 T CB -0.060 68.797 68.868 -0.018 0.000 0.868 1137 T HN -0.661 7.494 8.240 0.030 0.103 0.444 1138 I N 0.482 121.040 120.570 -0.020 0.000 2.179 1138 I HA -0.486 3.671 4.170 -0.022 0.000 0.242 1138 I C 1.481 177.676 176.117 0.130 0.000 1.088 1138 I CA 4.547 65.831 61.300 -0.026 0.000 1.357 1138 I CB -0.542 37.322 38.000 -0.227 0.000 1.051 1138 I HN 0.437 8.623 8.210 -0.040 0.000 0.409 1139 K N -1.713 118.762 120.400 0.124 0.000 2.211 1139 K HA -0.400 4.059 4.320 0.232 0.000 0.204 1139 K C 2.165 178.833 176.600 0.113 0.000 1.047 1139 K CA 3.482 59.857 56.287 0.147 0.000 0.935 1139 K CB -0.415 32.122 32.500 0.062 0.000 0.728 1139 K HN -0.537 7.765 8.250 0.087 0.000 0.452 1140 R N -0.873 119.672 120.500 0.075 0.000 2.062 1140 R HA -0.228 4.130 4.340 0.030 0.000 0.229 1140 R C 1.812 178.123 176.300 0.019 0.000 1.128 1140 R CA 2.813 58.934 56.100 0.036 0.000 0.960 1140 R CB -0.286 30.023 30.300 0.015 0.000 0.855 1140 R HN -0.465 7.676 8.270 0.068 0.170 0.432 1141 K N -0.635 119.783 120.400 0.030 0.000 2.286 1141 K HA -0.271 3.962 4.320 -0.145 0.000 0.203 1141 K C 2.803 179.327 176.600 -0.126 0.000 1.045 1141 K CA 3.101 59.354 56.287 -0.058 0.000 0.935 1141 K CB -0.662 31.865 32.500 0.046 0.000 0.737 1141 K HN 0.052 8.333 8.250 0.053 0.000 0.460 1142 L N -1.098 120.249 121.223 0.207 0.000 2.068 1142 L HA -0.178 4.637 4.340 0.792 0.000 0.204 1142 L C 1.393 178.339 176.870 0.127 0.000 1.076 1142 L CA 2.644 57.700 54.840 0.360 0.000 0.753 1142 L CB -0.020 42.226 42.059 0.313 0.000 0.910 1142 L HN -0.441 7.833 8.230 0.212 0.084 0.439 1143 D N -3.404 117.031 120.400 0.060 0.000 2.310 1143 D HA -0.125 4.535 4.640 0.033 0.000 0.212 1143 D C 0.975 177.266 176.300 -0.015 0.000 0.965 1143 D CA 2.242 56.255 54.000 0.022 0.000 0.879 1143 D CB 0.935 41.743 40.800 0.014 0.000 0.921 1143 D HN -0.298 8.022 8.370 0.069 0.092 0.510 1144 T N -5.541 108.974 114.554 -0.064 0.000 2.987 1144 T HA 0.047 4.362 4.350 -0.060 0.000 0.248 1144 T C 0.680 175.273 174.700 -0.178 0.000 0.997 1144 T CA -0.389 61.654 62.100 -0.096 0.000 1.013 1144 T CB 2.469 71.283 68.868 -0.091 0.000 1.077 1144 T HN -0.344 7.801 8.240 -0.076 0.050 0.483 1145 G N 2.777 111.350 108.800 -0.378 0.000 2.356 1145 G HA2 -0.288 2.897 3.960 -1.328 0.000 0.233 1145 G HA3 -0.288 3.469 3.960 -0.339 0.000 0.233 1145 G C -0.506 174.006 174.900 -0.647 0.000 1.105 1145 G CA 0.000 44.696 45.100 -0.674 0.000 0.861 1145 G HN -0.169 7.767 8.290 -0.378 0.127 0.493 1146 Q N -1.990 117.411 119.800 -0.665 0.000 2.282 1146 Q HA 0.006 4.208 4.340 -0.230 0.000 0.205 1146 Q C 0.016 175.878 176.000 -0.229 0.000 0.915 1146 Q CA -0.209 55.396 55.803 -0.329 0.000 0.949 1146 Q CB 0.315 28.940 28.738 -0.188 0.000 1.035 1146 Q HN 0.214 7.909 8.270 -0.729 0.137 0.484 1147 Y N -5.130 115.172 120.300 0.003 0.000 2.585 1147 Y HA 0.138 4.653 4.550 -0.058 0.000 0.272 1147 Y C -0.362 175.537 175.900 -0.001 0.000 1.119 1147 Y CA -2.344 55.744 58.100 -0.021 0.000 1.255 1147 Y CB 0.249 38.712 38.460 0.005 0.000 1.284 1147 Y HN -0.575 6.932 8.280 -1.116 0.103 0.499 1148 Q N -3.113 116.964 119.800 0.462 0.000 2.284 1148 Q HA -0.361 4.189 4.340 0.350 0.000 0.205 1148 Q C -2.146 174.112 176.000 0.430 0.000 0.682 1148 Q CA 1.891 57.917 55.803 0.372 0.000 1.401 1148 Q CB -0.298 28.568 28.738 0.214 0.000 1.643 1148 Q HN 0.359 8.809 8.270 0.300 0.000 0.717 1149 E N -7.903 112.483 120.200 0.311 0.000 2.388 1149 E HA 0.319 4.406 4.350 -0.438 0.000 0.282 1149 E C -2.586 173.788 176.600 -0.377 0.000 1.026 1149 E CA -2.435 53.912 56.400 -0.088 0.000 0.820 1149 E CB 1.736 31.670 29.700 0.390 0.000 1.226 1149 E HN -0.417 8.092 8.360 0.478 0.138 0.432 1150 P HA -0.093 3.951 4.420 -0.625 0.000 0.215 1150 P C 0.617 177.940 177.300 0.039 0.000 1.157 1150 P CA 2.656 65.501 63.100 -0.424 0.000 0.863 1150 P CB 0.087 31.522 31.700 -0.442 0.000 0.787 1151 W N -6.171 115.032 121.300 -0.161 0.000 2.387 1151 W HA -0.130 4.563 4.660 0.056 0.000 0.272 1151 W C 0.992 177.536 176.519 0.041 0.000 1.224 1151 W CA -0.448 56.893 57.345 -0.008 0.000 1.210 1151 W CB -2.794 26.658 29.460 -0.014 0.000 1.125 1151 W HN 0.194 8.731 8.180 0.595 0.000 0.572 1152 Q N -1.131 118.458 119.800 -0.351 0.000 2.172 1152 Q HA -0.312 3.731 4.340 -0.496 0.000 0.200 1152 Q C 2.161 178.143 176.000 -0.030 0.000 0.964 1152 Q CA 2.271 57.877 55.803 -0.328 0.000 0.855 1152 Q CB -0.852 27.741 28.738 -0.241 0.000 0.918 1152 Q HN -0.581 7.370 8.270 -0.283 0.149 0.444 1153 Y N 1.879 122.131 120.300 -0.080 0.000 2.184 1153 Y HA -0.135 4.739 4.550 0.077 -0.278 0.290 1153 Y C 1.840 177.768 175.900 0.046 0.000 1.129 1153 Y CA 2.904 61.003 58.100 -0.002 0.000 1.144 1153 Y CB -0.131 38.248 38.460 -0.135 0.000 0.995 1153 Y HN -0.300 7.900 8.280 0.088 0.132 0.513 1154 V N -1.015 119.034 119.914 0.225 0.000 2.490 1154 V HA -0.526 3.708 4.120 0.190 0.000 0.250 1154 V C 2.170 178.387 176.094 0.204 0.000 1.061 1154 V CA 3.249 65.725 62.300 0.293 0.000 1.064 1154 V CB -1.235 30.896 31.823 0.513 0.000 0.670 1154 V HN 0.078 8.454 8.190 0.420 0.067 0.461 1155 D N -1.221 119.217 120.400 0.064 0.000 2.178 1155 D HA -0.207 4.482 4.640 0.082 0.000 0.202 1155 D C 1.291 177.550 176.300 -0.068 0.000 0.974 1155 D CA 3.079 57.084 54.000 0.007 0.000 0.841 1155 D CB -0.537 40.203 40.800 -0.100 0.000 0.953 1155 D HN -0.093 8.079 8.370 0.044 0.224 0.478 1156 D N -2.011 118.289 120.400 -0.166 0.000 2.103 1156 D HA -0.194 4.333 4.640 -0.188 0.000 0.199 1156 D C 1.928 177.973 176.300 -0.425 0.000 0.978 1156 D CA 2.661 56.512 54.000 -0.249 0.000 0.829 1156 D CB 0.473 41.131 40.800 -0.236 0.000 0.981 1156 D HN -0.530 7.590 8.370 -0.157 0.156 0.464 1157 V N -0.518 119.016 119.914 -0.634 0.000 2.809 1157 V HA -0.214 3.295 4.120 -1.019 0.000 0.256 1157 V C 0.958 176.221 176.094 -1.385 0.000 1.080 1157 V CA 3.010 64.661 62.300 -1.081 0.000 1.102 1157 V CB -0.040 30.936 31.823 -1.411 0.000 0.705 1157 V HN -0.157 7.669 8.190 -0.608 0.000 0.475 1158 W N -1.728 119.164 121.300 -0.680 0.000 2.863 1158 W HA -0.042 4.428 4.660 -0.316 0.000 0.258 1158 W C 1.722 178.022 176.519 -0.364 0.000 1.298 1158 W CA 3.576 60.705 57.345 -0.359 0.000 1.451 1158 W CB 0.103 29.546 29.460 -0.028 0.000 1.107 1158 W HN 0.051 7.899 8.180 -0.178 0.225 0.641 1159 L N 0.427 121.525 121.223 -0.208 0.000 2.156 1159 L HA -0.318 3.972 4.340 -0.083 0.000 0.208 1159 L C 1.383 178.093 176.870 -0.266 0.000 1.095 1159 L CA 2.763 57.500 54.840 -0.172 0.000 0.770 1159 L CB -0.049 41.915 42.059 -0.158 0.000 0.914 1159 L HN -0.849 7.040 8.230 -0.265 0.182 0.439 1160 M N 1.095 120.393 119.600 -0.503 0.000 2.081 1160 M HA -0.195 4.460 4.480 -0.326 -0.370 0.261 1160 M C 2.156 178.021 176.300 -0.724 0.000 1.075 1160 M CA 2.752 57.690 55.300 -0.604 0.000 1.133 1160 M CB -0.568 31.505 32.600 -0.878 0.000 1.330 1160 M HN -0.197 7.559 8.290 -0.622 0.161 0.414 1161 F N -2.546 116.850 119.950 -0.923 0.000 2.225 1161 F HA -0.378 3.381 4.527 -1.280 0.000 0.302 1161 F C 2.434 177.682 175.800 -0.920 0.000 1.068 1161 F CA 2.196 59.488 58.000 -1.180 0.000 1.327 1161 F CB -1.684 36.399 39.000 -1.528 0.000 1.043 1161 F HN 0.068 7.376 8.300 -1.475 0.107 0.506 1162 N N -0.633 117.862 118.700 -0.342 0.000 2.062 1162 N HA -0.379 4.379 4.740 0.030 0.000 0.191 1162 N C 1.364 176.911 175.510 0.063 0.000 1.042 1162 N CA 3.406 56.419 53.050 -0.063 0.000 0.845 1162 N CB -0.397 38.089 38.487 -0.002 0.000 1.024 1162 N HN -0.405 7.695 8.380 -0.346 0.072 0.424 1163 N N -0.514 118.214 118.700 0.047 0.000 2.322 1163 N HA -0.421 4.401 4.740 0.138 0.000 0.189 1163 N C 1.573 177.258 175.510 0.291 0.000 1.012 1163 N CA 3.353 56.506 53.050 0.171 0.000 0.880 1163 N CB -0.717 37.921 38.487 0.252 0.000 0.967 1163 N HN -0.398 7.962 8.380 -0.033 0.000 0.439 1164 A N 0.050 123.038 122.820 0.280 0.000 1.903 1164 A HA -0.087 4.517 4.320 0.473 0.000 0.213 1164 A C 1.592 179.529 177.584 0.589 0.000 1.185 1164 A CA 2.436 54.744 52.037 0.452 0.000 0.628 1164 A CB -0.120 19.161 19.000 0.467 0.000 0.830 1164 A HN -0.414 7.622 8.150 0.083 0.164 0.446 1165 W N -2.955 118.484 121.300 0.233 0.000 2.770 1165 W HA -0.005 4.822 4.660 0.279 0.000 0.256 1165 W C 1.691 178.309 176.519 0.165 0.000 1.291 1165 W CA 0.587 58.066 57.345 0.223 0.000 1.396 1165 W CB -0.251 29.334 29.460 0.209 0.000 1.114 1165 W HN -0.023 8.182 8.180 0.373 0.199 0.637 1166 L N -3.992 117.445 121.223 0.357 0.000 2.221 1166 L HA -0.020 4.434 4.340 0.191 0.000 0.202 1166 L C 0.873 177.852 176.870 0.182 0.000 1.074 1166 L CA 2.798 57.764 54.840 0.210 0.000 0.795 1166 L CB -1.017 41.122 42.059 0.132 0.000 0.960 1166 L HN 0.029 8.337 8.230 0.350 0.132 0.458 1167 Y N -1.154 119.190 120.300 0.073 0.000 2.205 1167 Y HA -0.089 4.446 4.550 -0.024 0.000 0.292 1167 Y C 1.172 177.112 175.900 0.068 0.000 1.119 1167 Y CA 1.294 59.403 58.100 0.014 0.000 1.117 1167 Y CB 0.707 39.119 38.460 -0.079 0.000 1.037 1167 Y HN -0.660 7.823 8.280 0.339 0.000 0.510 1168 N N -1.617 117.300 118.700 0.361 0.000 2.680 1168 N HA -0.204 4.635 4.740 0.165 0.000 0.197 1168 N C -1.058 174.547 175.510 0.158 0.000 1.288 1168 N CA 0.742 53.929 53.050 0.228 0.000 0.924 1168 N CB -0.040 38.602 38.487 0.260 0.000 1.025 1168 N HN -0.701 7.900 8.380 0.369 0.000 0.447 1169 R N -6.254 114.346 120.500 0.167 0.000 3.238 1169 R HA -0.465 3.925 4.340 0.083 0.000 0.235 1169 R C -0.395 175.863 176.300 -0.069 0.000 0.921 1169 R CA 0.599 56.736 56.100 0.061 0.000 0.625 1169 R CB -2.950 27.373 30.300 0.040 0.000 1.028 1169 R HN -0.077 8.148 8.270 0.239 0.188 0.478 1170 K N -7.150 113.182 120.400 -0.114 0.000 3.595 1170 K HA -0.348 3.647 4.320 -0.541 0.000 0.284 1170 K C -0.914 175.046 176.600 -1.066 0.000 1.150 1170 K CA 2.199 58.145 56.287 -0.568 0.000 1.056 1170 K CB -0.690 31.577 32.500 -0.388 0.000 1.354 1170 K HN 0.551 8.818 8.250 0.078 0.030 0.448 1171 T N -2.308 111.966 114.554 -0.467 0.000 3.427 1171 T HA 0.217 4.267 4.350 -0.500 0.000 0.306 1171 T C -1.395 173.239 174.700 -0.110 0.000 1.733 1171 T CA -0.702 61.197 62.100 -0.335 0.000 1.599 1171 T CB -0.234 68.517 68.868 -0.195 0.000 0.964 1171 T HN -0.304 7.663 8.240 -0.244 0.126 0.701 1172 S N 1.191 116.887 115.700 -0.006 0.000 2.790 1172 S HA 0.267 4.767 4.470 0.051 0.000 0.292 1172 S C -0.497 174.223 174.600 0.201 0.000 1.197 1172 S CA -1.391 56.861 58.200 0.087 0.000 0.851 1172 S CB 2.872 66.107 63.200 0.059 0.000 1.217 1172 S HN -0.740 7.553 8.310 -0.028 0.000 0.526 1173 R N 0.344 120.904 120.500 0.099 0.000 2.051 1173 R HA -0.046 4.466 4.340 0.287 0.000 0.225 1173 R C 1.813 178.147 176.300 0.057 0.000 1.155 1173 R CA 2.797 58.979 56.100 0.137 0.000 0.945 1173 R CB -0.475 29.846 30.300 0.035 0.000 0.840 1173 R HN 0.476 8.754 8.270 0.014 0.000 0.432 1174 V N 0.407 120.076 119.914 -0.407 0.000 2.982 1174 V HA -0.411 2.987 4.120 -1.203 0.000 0.265 1174 V C 0.685 176.922 176.094 0.237 0.000 1.122 1174 V CA 3.072 65.084 62.300 -0.480 0.000 1.143 1174 V CB -0.732 30.776 31.823 -0.525 0.000 0.726 1174 V HN -0.201 7.772 8.190 -0.400 -0.023 0.507 1175 Y N 1.306 121.729 120.300 0.205 0.000 2.242 1175 Y HA -0.341 4.486 4.550 0.460 0.000 0.291 1175 Y C 0.551 176.659 175.900 0.347 0.000 1.137 1175 Y CA 3.218 61.507 58.100 0.316 0.000 1.181 1175 Y CB -0.363 38.205 38.460 0.181 0.000 0.989 1175 Y HN -0.279 8.234 8.280 0.342 -0.028 0.527 1176 K N -1.260 119.166 120.400 0.044 0.000 2.167 1176 K HA -0.299 3.717 4.320 -0.508 0.000 0.203 1176 K C 2.584 179.265 176.600 0.135 0.000 1.052 1176 K CA 2.795 59.036 56.287 -0.078 0.000 0.956 1176 K CB -0.485 32.100 32.500 0.142 0.000 0.735 1176 K HN -0.060 8.303 8.250 0.381 0.116 0.451 1177 F N -0.361 119.609 119.950 0.033 0.000 2.102 1177 F HA -0.289 4.261 4.527 0.039 0.000 0.298 1177 F C 2.110 178.038 175.800 0.214 0.000 1.105 1177 F CA 2.970 61.023 58.000 0.089 0.000 1.239 1177 F CB -0.845 38.172 39.000 0.029 0.000 0.991 1177 F HN -0.383 8.289 8.300 0.819 0.120 0.474 1178 C N 0.028 119.654 119.300 0.544 0.000 2.610 1178 C HA -0.338 4.349 4.460 0.378 0.000 0.285 1178 C C 2.004 176.992 174.990 -0.004 0.000 1.267 1178 C CA 2.176 61.387 59.018 0.321 0.000 1.716 1178 C CB -0.818 27.097 27.740 0.292 0.000 2.117 1178 C HN 0.179 8.759 8.230 0.582 0.000 0.481 1179 S N 0.343 116.120 115.700 0.127 0.000 2.414 1179 S HA -0.518 4.121 4.470 0.282 0.000 0.241 1179 S C 2.228 176.777 174.600 -0.085 0.000 1.079 1179 S CA 3.622 61.842 58.200 0.033 0.000 1.087 1179 S CB -0.426 62.618 63.200 -0.260 0.000 0.927 1179 S HN -0.178 8.277 8.310 0.242 0.000 0.456 1180 K N 0.139 120.497 120.400 -0.071 0.000 2.062 1180 K HA -0.125 4.166 4.320 -0.049 0.000 0.205 1180 K C 2.161 178.728 176.600 -0.056 0.000 1.051 1180 K CA 1.951 58.207 56.287 -0.052 0.000 0.941 1180 K CB -0.369 32.108 32.500 -0.038 0.000 0.719 1180 K HN -0.697 7.510 8.250 -0.043 0.018 0.440 1181 L N -0.911 120.279 121.223 -0.055 0.000 1.943 1181 L HA -0.425 3.972 4.340 0.095 0.000 0.215 1181 L C 2.209 178.941 176.870 -0.230 0.000 1.074 1181 L CA 3.192 58.024 54.840 -0.014 0.000 0.759 1181 L CB -0.882 41.283 42.059 0.176 0.000 0.888 1181 L HN 0.133 8.260 8.230 -0.009 0.098 0.433 1182 A N -2.471 119.733 122.820 -1.026 0.000 1.954 1182 A HA -0.491 2.887 4.320 -1.571 0.000 0.222 1182 A C 2.310 179.765 177.584 -0.215 0.000 1.199 1182 A CA 3.055 54.355 52.037 -1.229 0.000 0.657 1182 A CB -1.309 16.827 19.000 -1.441 0.000 0.823 1182 A HN 0.037 7.396 8.150 -1.318 0.000 0.463 1183 E N -1.480 118.649 120.200 -0.118 0.000 2.017 1183 E HA -0.343 4.042 4.350 0.058 0.000 0.193 1183 E C 2.134 178.761 176.600 0.044 0.000 0.997 1183 E CA 2.852 59.259 56.400 0.011 0.000 0.804 1183 E CB 0.114 29.813 29.700 -0.001 0.000 0.757 1183 E HN -0.678 7.462 8.360 -0.192 0.105 0.448 1184 V N 0.267 120.212 119.914 0.051 0.000 2.273 1184 V HA -0.324 3.829 4.120 0.055 0.000 0.242 1184 V C 1.266 177.434 176.094 0.123 0.000 1.035 1184 V CA 3.173 65.521 62.300 0.080 0.000 1.013 1184 V CB -0.277 31.598 31.823 0.087 0.000 0.652 1184 V HN 0.131 8.270 8.190 0.029 0.069 0.452 1185 F N 0.691 120.682 119.950 0.067 0.000 2.037 1185 F HA -0.457 4.152 4.527 0.138 0.000 0.296 1185 F C 1.977 177.877 175.800 0.167 0.000 1.132 1185 F CA 3.533 61.614 58.000 0.135 0.000 1.211 1185 F CB -0.477 38.649 39.000 0.210 0.000 0.951 1185 F HN 0.323 8.700 8.300 0.289 0.096 0.503 1186 E N -2.405 117.792 120.200 -0.006 0.000 2.153 1186 E HA -0.447 3.715 4.350 -0.313 0.000 0.194 1186 E C 2.444 179.010 176.600 -0.055 0.000 0.988 1186 E CA 3.028 59.409 56.400 -0.033 0.000 0.811 1186 E CB -0.510 29.414 29.700 0.373 0.000 0.746 1186 E HN -0.482 8.062 8.360 0.306 0.000 0.466 1187 Q N -2.569 117.230 119.800 -0.002 0.000 2.376 1187 Q HA -0.263 4.083 4.340 0.010 0.000 0.211 1187 Q C 1.359 177.335 176.000 -0.039 0.000 0.986 1187 Q CA 2.549 58.350 55.803 -0.002 0.000 0.886 1187 Q CB -0.098 28.652 28.738 0.020 0.000 0.927 1187 Q HN -0.521 7.669 8.270 0.040 0.103 0.457 1188 E N -2.932 117.205 120.200 -0.104 0.000 2.306 1188 E HA 0.048 4.361 4.350 -0.061 0.000 0.201 1188 E C 1.214 177.707 176.600 -0.179 0.000 0.874 1188 E CA 0.535 56.869 56.400 -0.111 0.000 0.972 1188 E CB 1.047 30.699 29.700 -0.079 0.000 0.957 1188 E HN -0.188 7.872 8.360 -0.158 0.206 0.492 1189 I N 0.007 120.348 120.570 -0.382 0.000 3.444 1189 I HA -0.208 3.822 4.170 -0.234 0.000 0.287 1189 I C 0.517 176.544 176.117 -0.150 0.000 1.302 1189 I CA 1.025 62.103 61.300 -0.369 0.000 1.368 1189 I CB -0.542 36.952 38.000 -0.843 0.000 1.048 1189 I HN 0.371 8.069 8.210 -0.551 0.181 0.487 1190 D N 1.845 122.184 120.400 -0.102 0.000 2.214 1190 D HA 0.137 4.764 4.640 -0.023 0.000 0.217 1190 D C -1.214 175.073 176.300 -0.023 0.000 0.973 1190 D CA 5.331 59.307 54.000 -0.040 0.000 0.880 1190 D CB -1.028 39.753 40.800 -0.031 0.000 1.031 1190 D HN -0.132 8.089 8.370 -0.121 0.076 0.468 1191 P HA -0.098 4.333 4.420 0.019 0.000 0.239 1191 P C 0.570 177.866 177.300 -0.007 0.000 1.184 1191 P CA 1.906 65.004 63.100 -0.002 0.000 0.760 1191 P CB -0.122 31.574 31.700 -0.005 0.000 0.884 1192 V N -1.388 118.507 119.914 -0.031 0.000 2.379 1192 V HA -0.350 3.751 4.120 -0.032 0.000 0.243 1192 V C 0.934 177.012 176.094 -0.026 0.000 1.035 1192 V CA 3.627 65.902 62.300 -0.042 0.000 1.035 1192 V CB 0.111 31.885 31.823 -0.082 0.000 0.673 1192 V HN -0.632 7.409 8.190 -0.047 0.120 0.457 1193 M N -2.062 117.529 119.600 -0.015 0.000 2.213 1193 M HA -0.424 4.030 4.480 -0.043 0.000 0.263 1193 M C 2.264 178.601 176.300 0.061 0.000 1.062 1193 M CA 3.735 59.037 55.300 0.004 0.000 1.105 1193 M CB -0.631 31.984 32.600 0.025 0.000 1.385 1193 M HN -0.632 7.560 8.290 -0.018 0.087 0.417 1194 Q N -3.468 116.369 119.800 0.062 0.000 2.096 1194 Q HA -0.205 4.189 4.340 0.091 0.000 0.197 1194 Q C 1.462 177.491 176.000 0.048 0.000 0.964 1194 Q CA 2.090 57.936 55.803 0.073 0.000 0.838 1194 Q CB -0.132 28.651 28.738 0.074 0.000 0.906 1194 Q HN -0.539 7.646 8.270 0.042 0.110 0.444 1195 S N -1.452 114.266 115.700 0.029 0.000 2.383 1195 S HA -0.221 4.260 4.470 0.017 0.000 0.229 1195 S C 2.003 176.622 174.600 0.031 0.000 1.030 1195 S CA 2.155 60.366 58.200 0.019 0.000 1.002 1195 S CB 0.098 63.299 63.200 0.002 0.000 0.829 1195 S HN -0.323 7.786 8.310 0.020 0.212 0.467 1196 L N -1.327 119.922 121.223 0.044 0.000 2.093 1196 L HA -0.200 4.177 4.340 0.061 0.000 0.208 1196 L C -0.183 176.776 176.870 0.149 0.000 1.085 1196 L CA 1.616 56.507 54.840 0.084 0.000 0.755 1196 L CB 0.734 42.833 42.059 0.066 0.000 0.904 1196 L HN 0.049 8.165 8.230 0.031 0.132 0.435 1197 G N 0.000 108.886 108.800 0.144 0.000 5.446 1197 G HA2 0.000 nan 3.960 nan 0.000 0.244 1197 G HA3 0.000 4.062 3.960 0.170 0.000 0.244 1197 G CA 0.000 45.167 45.100 0.112 0.000 0.502 1197 G HN 0.000 8.235 8.290 0.118 0.126 0.925