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 1yyl_1_P DATA FIRST_RESID 1083 DATA SEQUENCE EVKLENVTEN FNMWKNNMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNDKK DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSTQLLLN GSLAEEEIVI RSENFTNNAK DATA SEQUENCE TIIVQLNESV VINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE LSKTQWENTL EQIAIKLKEQ FGNNKTIIFN PSSGGDPEIV THSFNcGGEF DATA SEQUENCE FYcNSTQLFT WNDXXXXXXX XXXXXXXXXR NITLPcRIKQ IINMWQEVGK DATA SEQUENCE AMYAPPIRGQ IRcSSNITGL LLTRDGGKDT NGTEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKIE 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 1083 E HA 0.000 nan 4.350 nan 0.000 0.291 1083 E C 0.000 176.600 176.600 0.000 0.000 1.382 1083 E CA 0.000 56.400 56.400 0.000 0.000 0.976 1083 E CB 0.000 29.700 29.700 0.000 0.000 0.812 1084 V N 3.650 123.564 119.914 0.000 0.000 3.388 1084 V HA 0.117 4.237 4.120 -0.001 0.000 0.301 1084 V C -0.367 175.727 176.094 0.000 0.000 1.160 1084 V CA 0.829 63.129 62.300 0.000 0.000 1.277 1084 V CB 0.548 32.371 31.823 -0.000 0.000 1.018 1084 V HN 0.669 nan 8.190 nan 0.000 0.504 1085 K N 4.331 124.732 120.400 0.001 0.000 2.378 1085 K HA 0.484 4.803 4.320 -0.001 0.000 0.252 1085 K C -0.851 175.750 176.600 0.001 0.000 0.931 1085 K CA -0.681 55.607 56.287 0.001 0.000 0.794 1085 K CB 2.082 34.583 32.500 0.002 0.000 1.181 1085 K HN 0.658 nan 8.250 nan 0.000 0.425 1086 L N 2.146 123.370 121.223 0.001 0.000 2.371 1086 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 1086 L C -0.430 176.441 176.870 0.002 0.000 1.124 1086 L CA 0.318 55.158 54.840 0.001 0.000 0.816 1086 L CB 0.794 42.853 42.059 0.000 0.000 1.129 1086 L HN 0.789 nan 8.230 nan 0.000 0.448 1087 E N 3.366 123.568 120.200 0.002 0.000 2.375 1087 E HA 0.249 4.598 4.350 -0.001 0.000 0.280 1087 E C -1.505 175.098 176.600 0.004 0.000 0.972 1087 E CA -0.861 55.541 56.400 0.004 0.000 0.782 1087 E CB 1.457 31.160 29.700 0.005 0.000 1.229 1087 E HN 0.630 nan 8.360 nan 0.000 0.439 1088 N N 1.317 120.020 118.700 0.005 0.000 2.525 1088 N HA 0.095 4.835 4.740 -0.001 0.000 0.271 1088 N C -0.598 174.919 175.510 0.011 0.000 1.194 1088 N CA -0.149 52.905 53.050 0.006 0.000 0.964 1088 N CB 1.750 40.240 38.487 0.005 0.000 1.126 1088 N HN 0.259 nan 8.380 nan 0.000 0.452 1089 V N 2.556 122.477 119.914 0.012 0.000 2.352 1089 V HA 0.018 4.137 4.120 -0.001 0.000 0.253 1089 V C 0.824 176.935 176.094 0.027 0.000 1.083 1089 V CA -0.020 62.289 62.300 0.015 0.000 0.993 1089 V CB -0.074 31.756 31.823 0.011 0.000 1.111 1089 V HN 0.684 nan 8.190 nan 0.000 0.490 1090 T N 5.557 120.130 114.554 0.032 0.000 2.813 1090 T HA 0.329 4.678 4.350 -0.001 0.000 0.297 1090 T C -0.330 174.407 174.700 0.062 0.000 1.036 1090 T CA -0.094 62.037 62.100 0.052 0.000 1.044 1090 T CB 0.556 69.454 68.868 0.049 0.000 0.993 1090 T HN 0.865 nan 8.240 nan 0.000 0.535 1091 E N 1.671 121.937 120.200 0.111 0.000 2.390 1091 E HA 0.288 4.637 4.350 -0.001 0.000 0.280 1091 E C -1.346 175.360 176.600 0.178 0.000 0.992 1091 E CA -0.715 55.729 56.400 0.073 0.000 0.790 1091 E CB 1.753 31.444 29.700 -0.015 0.000 1.248 1091 E HN 0.676 nan 8.360 nan 0.000 0.447 1092 N N 0.542 119.281 118.700 0.065 0.000 2.456 1092 N HA 0.595 5.335 4.740 -0.001 0.000 0.296 1092 N C -1.165 174.402 175.510 0.094 0.000 1.102 1092 N CA -0.084 53.080 53.050 0.191 0.000 0.924 1092 N CB 0.755 39.313 38.487 0.117 0.000 1.186 1092 N HN 0.156 nan 8.380 nan 0.000 0.492 1093 F N 0.175 120.227 119.950 0.170 0.000 2.654 1093 F HA 0.562 5.089 4.527 -0.001 0.000 0.334 1093 F C 0.141 176.036 175.800 0.158 0.000 1.078 1093 F CA -0.874 57.238 58.000 0.187 0.000 0.986 1093 F CB 1.458 40.656 39.000 0.331 0.000 1.362 1093 F HN 0.289 nan 8.300 nan 0.000 0.498 1094 N N 1.532 120.424 118.700 0.320 0.000 3.357 1094 N HA 0.054 4.794 4.740 -0.001 0.000 0.206 1094 N C 0.185 175.733 175.510 0.062 0.000 1.458 1094 N CA -0.018 53.147 53.050 0.191 0.000 0.776 1094 N CB 0.719 39.325 38.487 0.198 0.000 1.626 1094 N HN 0.800 nan 8.380 nan 0.000 0.644 1095 M N -0.261 119.248 119.600 -0.152 0.000 2.426 1095 M HA 0.017 4.496 4.480 -0.001 0.000 0.261 1095 M C 0.257 176.313 176.300 -0.406 0.000 1.068 1095 M CA 1.294 56.398 55.300 -0.328 0.000 1.066 1095 M CB -0.370 31.873 32.600 -0.595 0.000 1.399 1095 M HN 0.359 nan 8.290 nan 0.000 0.449 1096 W N 1.239 122.583 121.300 0.073 0.000 3.003 1096 W HA 0.200 4.859 4.660 -0.001 0.000 0.257 1096 W C 0.916 177.458 176.519 0.039 0.000 1.308 1096 W CA -0.311 57.056 57.345 0.037 0.000 1.529 1096 W CB 0.292 29.755 29.460 0.006 0.000 1.115 1096 W HN 0.005 nan 8.180 nan 0.000 0.659 1097 K N 0.781 121.292 120.400 0.186 0.000 2.972 1097 K HA 0.120 4.440 4.320 -0.001 0.000 0.209 1097 K C -0.607 176.042 176.600 0.081 0.000 1.128 1097 K CA -0.107 56.256 56.287 0.128 0.000 1.024 1097 K CB -0.115 32.459 32.500 0.123 0.000 0.754 1097 K HN -0.055 nan 8.250 nan 0.000 0.454 1098 N N 1.333 120.073 118.700 0.068 0.000 2.419 1098 N HA 0.154 4.893 4.740 -0.001 0.000 0.264 1098 N C 0.272 175.801 175.510 0.031 0.000 1.031 1098 N CA 0.071 53.151 53.050 0.049 0.000 0.951 1098 N CB 0.692 39.216 38.487 0.061 0.000 1.101 1098 N HN 0.178 nan 8.380 nan 0.000 0.488 1099 N N 3.053 121.757 118.700 0.005 0.000 2.459 1099 N HA -0.032 4.707 4.740 -0.001 0.000 0.181 1099 N C 1.323 176.804 175.510 -0.050 0.000 1.046 1099 N CA 0.654 53.696 53.050 -0.014 0.000 0.904 1099 N CB 0.262 38.729 38.487 -0.033 0.000 0.964 1099 N HN 0.556 nan 8.380 nan 0.000 0.444 1100 M N 0.125 119.680 119.600 -0.075 0.000 2.175 1100 M HA -0.094 4.385 4.480 -0.001 0.000 0.264 1100 M C 2.065 178.278 176.300 -0.146 0.000 1.063 1100 M CA 1.020 56.207 55.300 -0.190 0.000 1.119 1100 M CB -0.106 32.377 32.600 -0.194 0.000 1.377 1100 M HN -0.022 nan 8.290 nan 0.000 0.415 1101 V N 0.212 120.125 119.914 -0.002 0.000 2.343 1101 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 1101 V C 2.195 178.402 176.094 0.189 0.000 1.051 1101 V CA 1.873 64.251 62.300 0.130 0.000 1.036 1101 V CB -0.610 31.300 31.823 0.144 0.000 0.654 1101 V HN 0.376 nan 8.190 nan 0.000 0.451 1102 E N -0.267 119.998 120.200 0.109 0.000 2.106 1102 E HA -0.207 4.143 4.350 -0.001 0.000 0.192 1102 E C 2.148 178.827 176.600 0.131 0.000 0.984 1102 E CA 1.139 57.618 56.400 0.132 0.000 0.806 1102 E CB -0.255 29.487 29.700 0.070 0.000 0.750 1102 E HN 0.577 nan 8.360 nan 0.000 0.458 1103 Q N -0.232 119.578 119.800 0.017 0.000 2.049 1103 Q HA -0.024 4.315 4.340 -0.001 0.000 0.198 1103 Q C 2.123 178.109 176.000 -0.022 0.000 0.971 1103 Q CA 1.627 57.410 55.803 -0.033 0.000 0.833 1103 Q CB -0.279 28.364 28.738 -0.158 0.000 0.896 1103 Q HN 0.358 nan 8.270 nan 0.000 0.434 1104 M N -1.017 118.502 119.600 -0.134 0.000 2.159 1104 M HA -0.213 4.266 4.480 -0.001 0.000 0.263 1104 M C 1.787 178.028 176.300 -0.098 0.000 1.063 1104 M CA 1.991 57.213 55.300 -0.130 0.000 1.110 1104 M CB -0.201 32.231 32.600 -0.281 0.000 1.374 1104 M HN 0.432 nan 8.290 nan 0.000 0.411 1105 H N 0.080 119.204 119.070 0.089 0.000 2.387 1105 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 1105 H C 1.981 177.482 175.328 0.289 0.000 1.090 1105 H CA 2.066 58.386 56.048 0.452 0.000 1.332 1105 H CB 0.052 30.154 29.762 0.567 0.000 1.386 1105 H HN 0.415 nan 8.280 nan 0.000 0.516 1106 E N -0.277 120.049 120.200 0.211 0.000 2.208 1106 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 1106 E C 0.993 177.638 176.600 0.076 0.000 0.988 1106 E CA 0.917 57.389 56.400 0.119 0.000 0.828 1106 E CB 0.191 29.961 29.700 0.117 0.000 0.763 1106 E HN 0.567 nan 8.360 nan 0.000 0.478 1107 D N 0.520 120.967 120.400 0.078 0.000 2.110 1107 D HA -0.084 4.555 4.640 -0.001 0.000 0.202 1107 D C 1.946 178.284 176.300 0.063 0.000 0.975 1107 D CA 0.469 54.516 54.000 0.077 0.000 0.839 1107 D CB -0.165 40.716 40.800 0.135 0.000 0.996 1107 D HN 0.165 nan 8.370 nan 0.000 0.464 1108 I N 1.132 121.703 120.570 0.003 0.000 2.423 1108 I HA -0.201 3.968 4.170 -0.001 0.000 0.254 1108 I C 2.297 178.553 176.117 0.232 0.000 1.151 1108 I CA 0.827 62.165 61.300 0.063 0.000 1.421 1108 I CB -0.676 37.229 38.000 -0.159 0.000 1.079 1108 I HN 0.087 nan 8.210 nan 0.000 0.431 1109 I N 0.166 120.821 120.570 0.142 0.000 2.333 1109 I HA -0.214 3.955 4.170 -0.001 0.000 0.246 1109 I C 2.488 178.675 176.117 0.116 0.000 1.106 1109 I CA 0.906 62.236 61.300 0.049 0.000 1.411 1109 I CB -0.098 37.839 38.000 -0.105 0.000 1.082 1109 I HN 0.123 nan 8.210 nan 0.000 0.420 1110 S N 0.956 116.718 115.700 0.104 0.000 2.368 1110 S HA -0.148 4.322 4.470 -0.001 0.000 0.225 1110 S C 1.916 176.605 174.600 0.149 0.000 1.030 1110 S CA 1.007 59.266 58.200 0.099 0.000 0.999 1110 S CB -0.399 62.843 63.200 0.070 0.000 0.844 1110 S HN 0.200 nan 8.310 nan 0.000 0.459 1111 L N 0.005 121.339 121.223 0.185 0.000 2.127 1111 L HA -0.058 4.281 4.340 -0.001 0.000 0.211 1111 L C 1.885 178.921 176.870 0.277 0.000 1.089 1111 L CA 1.406 56.365 54.840 0.198 0.000 0.757 1111 L CB -0.921 41.263 42.059 0.207 0.000 0.899 1111 L HN 0.396 nan 8.230 nan 0.000 0.434 1112 W N -0.406 120.958 121.300 0.107 0.000 2.481 1112 W HA -0.030 4.630 4.660 -0.001 0.000 0.293 1112 W C 1.581 178.161 176.519 0.101 0.000 1.201 1112 W CA 0.439 57.871 57.345 0.145 0.000 1.328 1112 W CB -0.566 29.040 29.460 0.244 0.000 1.112 1112 W HN 0.096 nan 8.180 nan 0.000 0.546 1113 D N -0.007 120.569 120.400 0.293 0.000 2.396 1113 D HA -0.031 4.608 4.640 -0.001 0.000 0.255 1113 D C 0.827 177.191 176.300 0.107 0.000 1.224 1113 D CA 0.595 54.690 54.000 0.159 0.000 0.894 1113 D CB -0.614 40.239 40.800 0.089 0.000 0.939 1113 D HN 0.407 nan 8.370 nan 0.000 0.506 1114 Q N -3.349 116.515 119.800 0.107 0.000 1.820 1114 Q HA 0.278 4.617 4.340 -0.001 0.000 0.179 1114 Q C 0.196 176.219 176.000 0.038 0.000 0.798 1114 Q CA -0.250 55.589 55.803 0.060 0.000 0.887 1114 Q CB 0.041 28.809 28.738 0.051 0.000 1.240 1114 Q HN -0.072 nan 8.270 nan 0.000 0.394 1115 S N -0.123 115.599 115.700 0.036 0.000 2.702 1115 S HA 0.321 4.791 4.470 -0.001 0.000 0.257 1115 S C -0.307 174.265 174.600 -0.047 0.000 0.981 1115 S CA -0.226 57.962 58.200 -0.020 0.000 1.414 1115 S CB 0.712 63.878 63.200 -0.056 0.000 1.239 1115 S HN 0.360 nan 8.310 nan 0.000 0.676 1116 L N 2.282 123.520 121.223 0.026 0.000 2.567 1116 L HA 0.311 4.650 4.340 -0.001 0.000 0.294 1116 L C -1.312 175.715 176.870 0.262 0.000 1.365 1116 L CA -0.136 54.749 54.840 0.075 0.000 0.669 1116 L CB 0.368 42.338 42.059 -0.148 0.000 0.989 1116 L HN -0.025 nan 8.230 nan 0.000 0.519 1117 K N 1.290 121.784 120.400 0.157 0.000 2.382 1117 K HA 0.316 4.636 4.320 -0.001 0.000 0.275 1117 K C -2.419 174.183 176.600 0.003 0.000 1.009 1117 K CA -1.365 54.981 56.287 0.098 0.000 0.970 1117 K CB 0.248 32.768 32.500 0.035 0.000 0.934 1117 K HN 0.059 nan 8.250 nan 0.000 0.479 1118 P HA 0.103 nan 4.420 nan 0.000 0.276 1118 P C 0.099 177.206 177.300 -0.321 0.000 1.244 1118 P CA -0.518 62.164 63.100 -0.696 0.000 0.801 1118 P CB 0.703 31.942 31.700 -0.767 0.000 1.006 1119 c N 0.563 118.992 118.600 -0.286 0.000 2.440 1119 c HA 0.123 4.692 4.570 -0.001 0.000 0.278 1119 c C 1.167 175.187 174.090 -0.118 0.000 1.295 1119 c CA 0.516 56.766 56.329 -0.133 0.000 1.738 1119 c CB -0.467 41.993 42.510 -0.083 0.000 1.987 1119 c HN 0.408 nan 8.230 nan 0.000 0.492 1120 V N 0.816 120.641 119.914 -0.149 0.000 2.697 1120 V HA 0.446 4.566 4.120 -0.001 0.000 0.300 1120 V C -1.153 174.865 176.094 -0.127 0.000 1.115 1120 V CA -0.565 61.671 62.300 -0.107 0.000 0.912 1120 V CB 1.472 33.251 31.823 -0.074 0.000 1.024 1120 V HN 0.343 nan 8.190 nan 0.000 0.431 1121 K N 6.305 126.642 120.400 -0.105 0.000 2.182 1121 K HA 0.742 5.061 4.320 -0.001 0.000 0.262 1121 K C -1.574 174.988 176.600 -0.063 0.000 0.957 1121 K CA -0.761 55.469 56.287 -0.095 0.000 0.842 1121 K CB 1.653 34.100 32.500 -0.088 0.000 1.099 1121 K HN 0.771 nan 8.250 nan 0.000 0.438 1122 L N 4.163 125.354 121.223 -0.053 0.000 2.325 1122 L HA 0.458 4.798 4.340 -0.001 0.000 0.281 1122 L C -0.526 176.325 176.870 -0.032 0.000 1.004 1122 L CA -0.631 54.186 54.840 -0.038 0.000 0.823 1122 L CB 1.915 43.954 42.059 -0.033 0.000 1.236 1122 L HN 0.864 nan 8.230 nan 0.000 0.415 1123 T N 0.547 115.085 114.554 -0.027 0.000 2.883 1123 T HA 0.602 4.952 4.350 -0.001 0.000 0.301 1123 T C -2.982 171.708 174.700 -0.017 0.000 1.158 1123 T CA -2.288 59.798 62.100 -0.023 0.000 1.007 1123 T CB 2.193 71.046 68.868 -0.027 0.000 1.186 1123 T HN 0.088 nan 8.240 nan 0.000 0.499 1124 P HA 0.455 nan 4.420 nan 0.000 0.281 1124 P C -1.197 176.098 177.300 -0.009 0.000 1.252 1124 P CA -0.597 62.498 63.100 -0.009 0.000 0.778 1124 P CB 0.460 32.156 31.700 -0.006 0.000 0.895 1125 L N 5.732 126.950 121.223 -0.008 0.000 2.366 1125 L HA 0.387 4.726 4.340 -0.001 0.000 0.266 1125 L C -0.986 175.881 176.870 -0.005 0.000 1.010 1125 L CA -0.446 54.390 54.840 -0.007 0.000 0.879 1125 L CB -0.108 41.946 42.059 -0.008 0.000 1.228 1125 L HN 0.378 nan 8.230 nan 0.000 0.439 1126 c N 3.092 121.690 118.600 -0.004 0.000 2.335 1126 c HA 0.897 5.467 4.570 -0.001 0.000 0.363 1126 c C 0.474 174.563 174.090 -0.002 0.000 1.198 1126 c CA -0.632 55.696 56.329 -0.003 0.000 2.279 1126 c CB 1.371 43.880 42.510 -0.002 0.000 2.334 1126 c HN 0.707 nan 8.230 nan 0.000 0.559 1127 V N -0.511 119.403 119.914 -0.001 0.000 3.158 1127 V HA 0.877 4.996 4.120 -0.001 0.000 0.311 1127 V C 0.914 177.008 176.094 -0.000 0.000 1.181 1127 V CA 0.149 62.449 62.300 -0.001 0.000 1.054 1127 V CB 0.747 32.569 31.823 -0.001 0.000 1.085 1127 V HN 0.963 nan 8.190 nan 0.000 0.446 1128 G N 0.239 109.039 108.800 0.000 0.000 2.529 1128 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.219 1128 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.219 1128 G C 0.956 175.856 174.900 0.000 0.000 1.177 1128 G CA 1.269 46.369 45.100 0.001 0.000 0.773 1128 G HN 1.653 nan 8.290 nan 0.000 0.573 1195 S N 0.591 116.290 115.700 -0.002 0.000 2.498 1195 S HA 0.504 4.973 4.470 -0.001 0.000 0.281 1195 S C 0.333 174.932 174.600 -0.002 0.000 1.265 1195 S CA -0.296 57.903 58.200 -0.002 0.000 1.071 1195 S CB 0.752 63.951 63.200 -0.002 0.000 0.894 1195 S HN 0.406 nan 8.310 nan 0.000 0.491 1196 c N 3.887 122.485 118.600 -0.003 0.000 2.397 1196 c HA 0.611 5.181 4.570 -0.001 0.000 0.343 1196 c C 1.050 175.137 174.090 -0.005 0.000 1.188 1196 c CA -0.734 55.593 56.329 -0.004 0.000 1.992 1196 c CB 0.615 43.123 42.510 -0.003 0.000 2.358 1196 c HN 1.053 nan 8.230 nan 0.000 0.518 1197 N N -0.856 117.841 118.700 -0.006 0.000 3.312 1197 N HA 0.567 5.307 4.740 -0.001 0.000 0.361 1197 N C -1.277 174.228 175.510 -0.008 0.000 1.476 1197 N CA -0.459 52.587 53.050 -0.007 0.000 0.669 1197 N CB 1.532 40.015 38.487 -0.007 0.000 1.629 1197 N HN 0.612 nan 8.380 nan 0.000 0.612 1198 T N 0.216 114.764 114.554 -0.010 0.000 2.965 1198 T HA 0.193 4.542 4.350 -0.001 0.000 0.306 1198 T C -0.923 173.768 174.700 -0.014 0.000 0.991 1198 T CA -0.390 61.702 62.100 -0.012 0.000 1.001 1198 T CB 1.271 70.131 68.868 -0.013 0.000 0.984 1198 T HN 0.303 nan 8.240 nan 0.000 0.446 1199 S N 3.086 118.777 115.700 -0.016 0.000 2.481 1199 S HA 0.429 4.899 4.470 -0.001 0.000 0.276 1199 S C -0.025 174.562 174.600 -0.023 0.000 1.247 1199 S CA -0.476 57.713 58.200 -0.018 0.000 1.053 1199 S CB -0.019 63.170 63.200 -0.018 0.000 0.925 1199 S HN 0.487 nan 8.310 nan 0.000 0.491 1200 V N 7.746 127.646 119.914 -0.023 0.000 2.357 1200 V HA 0.488 4.607 4.120 -0.001 0.000 0.284 1200 V C -0.129 175.947 176.094 -0.029 0.000 1.018 1200 V CA -0.577 61.707 62.300 -0.028 0.000 0.841 1200 V CB 0.978 32.787 31.823 -0.025 0.000 0.991 1200 V HN 0.802 nan 8.190 nan 0.000 0.437 1201 I N 3.904 124.452 120.570 -0.037 0.000 2.406 1201 I HA 0.520 4.690 4.170 -0.001 0.000 0.290 1201 I C -0.024 176.066 176.117 -0.045 0.000 0.999 1201 I CA -0.157 61.121 61.300 -0.037 0.000 1.124 1201 I CB 2.269 40.246 38.000 -0.037 0.000 1.289 1201 I HN 0.502 nan 8.210 nan 0.000 0.441 1202 T N 6.144 120.675 114.554 -0.038 0.000 2.829 1202 T HA 0.599 4.948 4.350 -0.001 0.000 0.280 1202 T C -0.736 173.943 174.700 -0.035 0.000 0.999 1202 T CA -0.755 61.321 62.100 -0.041 0.000 0.983 1202 T CB 1.701 70.550 68.868 -0.032 0.000 0.968 1202 T HN 0.707 nan 8.240 nan 0.000 0.446 1203 Q N 0.757 120.534 119.800 -0.038 0.000 2.633 1203 Q HA 0.702 5.042 4.340 -0.001 0.000 0.289 1203 Q C -1.389 174.596 176.000 -0.025 0.000 0.940 1203 Q CA -1.453 54.334 55.803 -0.028 0.000 0.785 1203 Q CB 1.330 30.052 28.738 -0.025 0.000 1.467 1203 Q HN 0.693 nan 8.270 nan 0.000 0.401 1204 A N 0.607 123.418 122.820 -0.015 0.000 2.546 1204 A HA 0.355 4.675 4.320 -0.001 0.000 0.243 1204 A C 0.490 178.071 177.584 -0.006 0.000 1.063 1204 A CA 0.194 52.226 52.037 -0.008 0.000 0.757 1204 A CB -0.661 18.337 19.000 -0.003 0.000 0.991 1204 A HN 0.949 nan 8.150 nan 0.000 0.503 1205 c N 1.471 120.070 118.600 -0.001 0.000 3.276 1205 c HA 0.509 5.079 4.570 -0.001 0.000 0.226 1205 c C -2.595 171.515 174.090 0.033 0.000 1.502 1205 c CA -2.273 54.064 56.329 0.014 0.000 1.488 1205 c CB -0.974 41.533 42.510 -0.003 0.000 2.014 1205 c HN 0.649 nan 8.230 nan 0.000 0.492 1206 P HA 0.071 nan 4.420 nan 0.000 0.260 1206 P C 0.162 177.477 177.300 0.025 0.000 1.207 1206 P CA 0.862 63.974 63.100 0.020 0.000 0.780 1206 P CB 0.486 32.192 31.700 0.009 0.000 0.789 1207 K N 2.404 122.821 120.400 0.027 0.000 2.412 1207 K HA 0.226 4.546 4.320 -0.001 0.000 0.281 1207 K C -0.054 176.547 176.600 0.001 0.000 1.027 1207 K CA -0.117 56.184 56.287 0.023 0.000 0.989 1207 K CB 0.953 33.468 32.500 0.024 0.000 0.935 1207 K HN 0.208 nan 8.250 nan 0.000 0.475 1208 V N 1.744 121.648 119.914 -0.017 0.000 2.769 1208 V HA 0.151 4.271 4.120 -0.001 0.000 0.312 1208 V C 0.057 176.127 176.094 -0.040 0.000 1.061 1208 V CA -0.551 61.731 62.300 -0.030 0.000 0.931 1208 V CB 2.199 33.996 31.823 -0.043 0.000 1.010 1208 V HN 0.775 nan 8.190 nan 0.000 0.433 1209 S N 5.618 121.299 115.700 -0.033 0.000 3.544 1209 S HA 0.270 4.740 4.470 -0.001 0.000 0.227 1209 S C 0.267 174.840 174.600 -0.045 0.000 1.387 1209 S CA 0.363 58.544 58.200 -0.031 0.000 1.182 1209 S CB -1.268 61.920 63.200 -0.019 0.000 1.243 1209 S HN 1.109 nan 8.310 nan 0.000 0.467 1210 F N 1.889 121.797 119.950 -0.071 0.000 2.514 1210 F HA 0.181 4.708 4.527 -0.001 0.000 0.399 1210 F C 0.625 176.383 175.800 -0.070 0.000 1.011 1210 F CA -0.343 57.600 58.000 -0.094 0.000 1.109 1210 F CB -0.750 38.154 39.000 -0.160 0.000 0.980 1210 F HN 0.523 nan 8.300 nan 0.000 0.538 1211 E N 4.866 125.031 120.200 -0.057 0.000 2.212 1211 E HA 0.538 4.888 4.350 -0.001 0.000 0.268 1211 E C -2.741 173.834 176.600 -0.042 0.000 0.902 1211 E CA -2.067 54.309 56.400 -0.040 0.000 0.779 1211 E CB 1.574 31.256 29.700 -0.031 0.000 1.172 1211 E HN 0.532 nan 8.360 nan 0.000 0.409 1212 P HA -0.037 nan 4.420 nan 0.000 0.255 1212 P C -1.032 176.244 177.300 -0.039 0.000 1.161 1212 P CA 0.787 63.870 63.100 -0.027 0.000 0.768 1212 P CB 0.106 31.796 31.700 -0.015 0.000 0.746 1213 I N 6.268 126.809 120.570 -0.047 0.000 2.405 1213 I HA 0.219 4.389 4.170 -0.001 0.000 0.280 1213 I C -2.034 174.033 176.117 -0.084 0.000 1.027 1213 I CA -2.324 58.937 61.300 -0.065 0.000 1.161 1213 I CB 1.586 39.545 38.000 -0.069 0.000 1.300 1213 I HN 0.156 nan 8.210 nan 0.000 0.463 1214 P HA 0.186 nan 4.420 nan 0.000 0.265 1214 P C -0.676 176.502 177.300 -0.203 0.000 1.193 1214 P CA 0.196 63.221 63.100 -0.124 0.000 0.765 1214 P CB 0.428 32.062 31.700 -0.110 0.000 0.823 1215 I N -0.046 120.389 120.570 -0.227 0.000 2.969 1215 I HA 0.705 4.875 4.170 -0.001 0.000 0.307 1215 I C -0.693 175.250 176.117 -0.289 0.000 1.149 1215 I CA -0.950 60.158 61.300 -0.320 0.000 1.008 1215 I CB 2.765 40.592 38.000 -0.289 0.000 1.232 1215 I HN 0.499 nan 8.210 nan 0.000 0.435 1216 H N 1.212 120.094 119.070 -0.313 0.000 2.990 1216 H HA 0.526 5.082 4.556 -0.001 0.000 0.343 1216 H C -2.192 172.899 175.328 -0.396 0.000 1.270 1216 H CA -0.975 54.895 56.048 -0.296 0.000 1.118 1216 H CB 1.853 31.492 29.762 -0.205 0.000 1.861 1216 H HN 0.621 nan 8.280 nan 0.000 0.544 1217 Y N 0.464 120.714 120.300 -0.083 0.000 2.341 1217 Y HA 0.412 4.961 4.550 -0.001 0.000 0.337 1217 Y C -0.210 175.562 175.900 -0.213 0.000 1.014 1217 Y CA -0.428 57.597 58.100 -0.125 0.000 1.111 1217 Y CB 1.654 40.016 38.460 -0.163 0.000 1.194 1217 Y HN 0.607 nan 8.280 nan 0.000 0.462 1218 c N 2.274 120.855 118.600 -0.033 0.000 2.454 1218 c HA 0.834 5.403 4.570 -0.001 0.000 0.336 1218 c C 0.278 174.363 174.090 -0.008 0.000 1.189 1218 c CA -1.164 55.110 56.329 -0.091 0.000 1.877 1218 c CB 0.826 43.267 42.510 -0.115 0.000 2.348 1218 c HN 0.916 nan 8.230 nan 0.000 0.508 1219 A N 4.136 126.952 122.820 -0.006 0.000 2.366 1219 A HA 0.652 4.972 4.320 -0.001 0.000 0.272 1219 A C -1.945 175.677 177.584 0.063 0.000 1.135 1219 A CA -0.647 51.415 52.037 0.042 0.000 0.804 1219 A CB -0.191 18.845 19.000 0.060 0.000 1.064 1219 A HN 0.769 nan 8.150 nan 0.000 0.499 1220 P HA 0.410 nan 4.420 nan 0.000 0.278 1220 P C -0.157 177.248 177.300 0.175 0.000 1.258 1220 P CA -0.327 62.841 63.100 0.115 0.000 0.811 1220 P CB 1.020 32.780 31.700 0.101 0.000 1.063 1221 A N 0.423 123.319 122.820 0.126 0.000 2.566 1221 A HA 0.359 4.678 4.320 -0.001 0.000 0.245 1221 A C 1.451 179.094 177.584 0.097 0.000 1.056 1221 A CA 1.023 53.112 52.037 0.087 0.000 0.757 1221 A CB -1.716 17.317 19.000 0.056 0.000 0.979 1221 A HN 0.941 nan 8.150 nan 0.000 0.508 1222 G N 0.851 109.634 108.800 -0.029 0.000 2.195 1222 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.246 1222 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.246 1222 G C -0.053 174.509 174.900 -0.563 0.000 0.984 1222 G CA 0.414 45.348 45.100 -0.276 0.000 0.633 1222 G HN 0.898 nan 8.290 nan 0.000 0.525 1223 F N 0.500 120.448 119.950 -0.003 0.000 2.603 1223 F HA 0.838 5.365 4.527 -0.001 0.000 0.317 1223 F C 0.321 176.118 175.800 -0.005 0.000 1.066 1223 F CA -0.393 57.603 58.000 -0.005 0.000 0.941 1223 F CB 2.250 41.247 39.000 -0.005 0.000 1.291 1223 F HN 0.430 nan 8.300 nan 0.000 0.472 1224 A N 1.471 124.404 122.820 0.189 0.000 2.498 1224 A HA 0.849 5.168 4.320 -0.001 0.000 0.298 1224 A C -1.357 176.288 177.584 0.102 0.000 1.075 1224 A CA -0.645 51.455 52.037 0.105 0.000 0.714 1224 A CB 1.185 20.220 19.000 0.058 0.000 1.299 1224 A HN 0.679 nan 8.150 nan 0.000 0.407 1225 I N 1.937 122.557 120.570 0.083 0.000 2.336 1225 I HA 0.275 4.444 4.170 -0.001 0.000 0.292 1225 I C -0.909 175.287 176.117 0.132 0.000 0.991 1225 I CA -0.609 60.751 61.300 0.100 0.000 1.227 1225 I CB 1.272 39.317 38.000 0.075 0.000 1.366 1225 I HN 0.386 nan 8.210 nan 0.000 0.466 1226 L N 7.001 128.312 121.223 0.148 0.000 2.343 1226 L HA 0.463 4.803 4.340 -0.001 0.000 0.275 1226 L C -0.096 176.931 176.870 0.262 0.000 1.056 1226 L CA -0.429 54.509 54.840 0.163 0.000 0.804 1226 L CB 1.209 43.325 42.059 0.095 0.000 1.203 1226 L HN 0.481 nan 8.230 nan 0.000 0.440 1227 K N 2.101 122.594 120.400 0.155 0.000 2.463 1227 K HA 0.360 4.680 4.320 -0.001 0.000 0.255 1227 K C -1.249 175.216 176.600 -0.225 0.000 0.942 1227 K CA -0.457 55.792 56.287 -0.063 0.000 0.814 1227 K CB 1.415 33.864 32.500 -0.085 0.000 1.122 1227 K HN 0.675 nan 8.250 nan 0.000 0.425 1228 c N 4.773 123.018 118.600 -0.592 0.000 2.499 1228 c HA 0.342 4.912 4.570 -0.001 0.000 0.386 1228 c C 0.563 174.242 174.090 -0.686 0.000 1.293 1228 c CA -0.368 55.394 56.329 -0.945 0.000 1.884 1228 c CB -0.767 40.473 42.510 -2.117 0.000 2.509 1228 c HN 0.910 nan 8.230 nan 0.000 0.566 1229 N N 2.881 121.307 118.700 -0.457 0.000 2.184 1229 N HA 0.070 4.810 4.740 -0.001 0.000 0.206 1229 N C -0.340 175.036 175.510 -0.223 0.000 1.151 1229 N CA -0.136 52.743 53.050 -0.286 0.000 0.878 1229 N CB 0.184 38.562 38.487 -0.182 0.000 1.014 1229 N HN 0.744 nan 8.380 nan 0.000 0.512 1230 D N 1.935 122.161 120.400 -0.289 0.000 2.443 1230 D HA -0.001 4.639 4.640 -0.001 0.000 0.234 1230 D C 0.622 176.898 176.300 -0.039 0.000 1.172 1230 D CA 0.825 54.741 54.000 -0.140 0.000 0.878 1230 D CB 1.355 42.084 40.800 -0.119 0.000 1.204 1230 D HN -0.061 nan 8.370 nan 0.000 0.453 1231 K N 1.200 121.599 120.400 -0.002 0.000 2.270 1231 K HA 0.019 4.339 4.320 -0.001 0.000 0.276 1231 K C 0.514 177.150 176.600 0.060 0.000 1.023 1231 K CA -0.308 55.991 56.287 0.019 0.000 0.955 1231 K CB 0.659 33.161 32.500 0.003 0.000 0.975 1231 K HN 0.379 nan 8.250 nan 0.000 0.471 1232 K N 2.425 122.859 120.400 0.058 0.000 3.177 1232 K HA -0.210 4.110 4.320 -0.001 0.000 0.266 1232 K C -0.662 175.998 176.600 0.099 0.000 0.937 1232 K CA -0.041 56.276 56.287 0.049 0.000 0.702 1232 K CB -1.004 31.502 32.500 0.009 0.000 1.365 1232 K HN 0.446 nan 8.250 nan 0.000 0.466 1233 F N 1.763 121.701 119.950 -0.019 0.000 2.571 1233 F HA 0.025 4.552 4.527 -0.001 0.000 0.390 1233 F C 1.300 177.095 175.800 -0.008 0.000 1.043 1233 F CA 0.197 58.186 58.000 -0.018 0.000 1.164 1233 F CB 0.309 39.299 39.000 -0.017 0.000 1.049 1233 F HN 0.305 nan 8.300 nan 0.000 0.552 1234 N N 4.165 122.610 118.700 -0.425 0.000 2.381 1234 N HA -0.037 4.702 4.740 -0.001 0.000 0.182 1234 N C 1.530 176.639 175.510 -0.669 0.000 1.025 1234 N CA 1.460 54.272 53.050 -0.397 0.000 0.888 1234 N CB -0.192 38.185 38.487 -0.182 0.000 0.965 1234 N HN 0.951 nan 8.380 nan 0.000 0.438 1235 G N -2.136 105.658 108.800 -1.676 0.000 2.176 1235 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 1235 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 1235 G C -0.090 174.546 174.900 -0.440 0.000 0.979 1235 G CA 0.575 44.993 45.100 -1.135 0.000 0.641 1235 G HN 0.525 nan 8.290 nan 0.000 0.530 1236 T N -0.456 113.918 114.554 -0.300 0.000 3.032 1236 T HA 0.793 5.143 4.350 -0.001 0.000 0.312 1236 T C 0.397 175.192 174.700 0.158 0.000 1.078 1236 T CA 0.805 62.955 62.100 0.083 0.000 1.028 1236 T CB 1.849 70.808 68.868 0.151 0.000 1.091 1236 T HN 2.133 nan 8.240 nan 0.000 0.457 1237 G N 3.806 112.758 108.800 0.254 0.000 2.422 1237 G HA2 0.051 4.010 3.960 -0.001 0.000 0.607 1237 G HA3 0.051 4.010 3.960 -0.001 0.000 0.607 1237 G C -3.292 171.800 174.900 0.319 0.000 1.270 1237 G CA -1.089 44.155 45.100 0.240 0.000 0.992 1237 G HN 0.648 nan 8.290 nan 0.000 0.499 1238 P HA 0.437 nan 4.420 nan 0.000 0.281 1238 P C -0.220 177.207 177.300 0.212 0.000 1.252 1238 P CA -0.074 63.157 63.100 0.218 0.000 0.778 1238 P CB 1.449 33.231 31.700 0.136 0.000 0.895 1239 c N 3.573 122.297 118.600 0.206 0.000 2.295 1239 c HA 0.304 4.874 4.570 -0.001 0.000 0.331 1239 c C 2.073 176.171 174.090 0.013 0.000 1.280 1239 c CA 0.122 56.459 56.329 0.013 0.000 1.746 1239 c CB -0.370 42.025 42.510 -0.191 0.000 2.328 1239 c HN 0.658 nan 8.230 nan 0.000 0.521 1240 T N 3.116 117.656 114.554 -0.023 0.000 2.735 1240 T HA -0.013 4.336 4.350 -0.001 0.000 0.256 1240 T C 0.866 175.544 174.700 -0.036 0.000 1.042 1240 T CA 1.243 63.335 62.100 -0.012 0.000 1.147 1240 T CB -0.176 68.687 68.868 -0.008 0.000 0.865 1240 T HN 0.704 nan 8.240 nan 0.000 0.421 1241 N N 2.401 121.054 118.700 -0.079 0.000 2.767 1241 N HA 0.343 5.083 4.740 -0.001 0.000 0.238 1241 N C -1.206 174.233 175.510 -0.119 0.000 1.083 1241 N CA 0.051 53.050 53.050 -0.084 0.000 0.964 1241 N CB 1.201 39.634 38.487 -0.089 0.000 1.252 1241 N HN 0.102 nan 8.380 nan 0.000 0.512 1242 V N 1.676 121.551 119.914 -0.066 0.000 2.732 1242 V HA 0.633 4.752 4.120 -0.001 0.000 0.310 1242 V C 0.048 176.128 176.094 -0.022 0.000 1.053 1242 V CA -0.268 62.006 62.300 -0.044 0.000 0.957 1242 V CB 1.913 33.769 31.823 0.055 0.000 1.018 1242 V HN 0.667 nan 8.190 nan 0.000 0.452 1243 S N 3.123 118.815 115.700 -0.013 0.000 2.806 1243 S HA 0.734 5.204 4.470 -0.001 0.000 0.306 1243 S C -0.506 174.113 174.600 0.033 0.000 1.167 1243 S CA -0.271 57.929 58.200 0.000 0.000 0.847 1243 S CB 1.927 65.117 63.200 -0.017 0.000 1.216 1243 S HN 1.166 nan 8.310 nan 0.000 0.532 1244 T N 0.274 114.848 114.554 0.035 0.000 2.928 1244 T HA 0.626 4.975 4.350 -0.001 0.000 0.296 1244 T C -0.815 173.915 174.700 0.050 0.000 1.000 1244 T CA -0.298 61.833 62.100 0.051 0.000 0.989 1244 T CB 0.560 69.450 68.868 0.037 0.000 1.005 1244 T HN 1.638 nan 8.240 nan 0.000 0.442 1245 V N 3.373 123.329 119.914 0.071 0.000 2.960 1245 V HA 0.696 4.816 4.120 -0.001 0.000 0.315 1245 V C 0.951 177.058 176.094 0.022 0.000 1.087 1245 V CA -0.769 61.563 62.300 0.054 0.000 0.982 1245 V CB 1.842 33.722 31.823 0.096 0.000 1.039 1245 V HN 0.825 nan 8.190 nan 0.000 0.437 1246 Q N 0.990 120.781 119.800 -0.015 0.000 2.302 1246 Q HA 0.295 4.634 4.340 -0.001 0.000 0.202 1246 Q C 0.238 176.174 176.000 -0.106 0.000 0.936 1246 Q CA 1.174 56.953 55.803 -0.041 0.000 0.886 1246 Q CB -0.029 28.684 28.738 -0.043 0.000 0.986 1246 Q HN 0.951 nan 8.270 nan 0.000 0.487 1247 c N -0.085 118.414 118.600 -0.168 0.000 3.090 1247 c HA 0.664 5.233 4.570 -0.001 0.000 0.305 1247 c C -0.102 173.836 174.090 -0.253 0.000 1.292 1247 c CA -0.628 55.500 56.329 -0.334 0.000 1.482 1247 c CB 1.332 43.365 42.510 -0.794 0.000 1.897 1247 c HN 0.516 nan 8.230 nan 0.000 0.469 1248 T N -0.583 113.773 114.554 -0.330 0.000 2.828 1248 T HA 0.316 4.666 4.350 -0.001 0.000 0.290 1248 T C 0.319 174.953 174.700 -0.112 0.000 1.019 1248 T CA -0.166 61.677 62.100 -0.428 0.000 1.031 1248 T CB 0.242 68.637 68.868 -0.789 0.000 1.001 1248 T HN 0.876 nan 8.240 nan 0.000 0.531 1249 H N -0.111 118.992 119.070 0.056 0.000 2.929 1249 H HA 0.201 4.757 4.556 -0.001 0.000 0.358 1249 H C 0.819 176.218 175.328 0.118 0.000 1.111 1249 H CA -0.378 55.742 56.048 0.120 0.000 1.409 1249 H CB -0.566 29.291 29.762 0.159 0.000 1.373 1249 H HN 0.962 nan 8.280 nan 0.000 0.610 1250 G N 1.459 110.302 108.800 0.072 0.000 2.380 1250 G HA2 0.369 4.328 3.960 -0.001 0.000 0.242 1250 G HA3 0.369 4.328 3.960 -0.001 0.000 0.242 1250 G C -0.180 174.652 174.900 -0.114 0.000 1.298 1250 G CA -0.499 44.584 45.100 -0.028 0.000 0.878 1250 G HN 0.669 nan 8.290 nan 0.000 0.542 1251 I N 1.605 122.081 120.570 -0.157 0.000 2.498 1251 I HA 0.357 4.526 4.170 -0.001 0.000 0.290 1251 I C -0.086 175.998 176.117 -0.056 0.000 1.032 1251 I CA -0.832 60.406 61.300 -0.104 0.000 1.073 1251 I CB 2.405 40.315 38.000 -0.149 0.000 1.251 1251 I HN 0.403 nan 8.210 nan 0.000 0.426 1252 R N 6.216 126.719 120.500 0.005 0.000 2.346 1252 R HA 0.346 4.685 4.340 -0.001 0.000 0.309 1252 R C -2.553 173.773 176.300 0.043 0.000 1.119 1252 R CA -1.616 54.488 56.100 0.008 0.000 1.112 1252 R CB 0.372 30.684 30.300 0.021 0.000 1.132 1252 R HN 0.315 nan 8.270 nan 0.000 0.538 1253 P HA 0.059 nan 4.420 nan 0.000 0.268 1253 P C -0.472 176.922 177.300 0.156 0.000 1.205 1253 P CA -0.101 63.031 63.100 0.053 0.000 0.771 1253 P CB 1.288 32.909 31.700 -0.130 0.000 0.858 1254 V N 3.849 123.919 119.914 0.259 0.000 2.612 1254 V HA 0.102 4.221 4.120 -0.001 0.000 0.301 1254 V C 0.148 176.370 176.094 0.214 0.000 1.059 1254 V CA -0.849 61.587 62.300 0.226 0.000 0.886 1254 V CB 2.365 34.280 31.823 0.152 0.000 1.007 1254 V HN 0.281 nan 8.190 nan 0.000 0.426 1255 V N 5.286 125.272 119.914 0.120 0.000 2.470 1255 V HA 0.632 4.752 4.120 -0.001 0.000 0.276 1255 V C 0.486 176.529 176.094 -0.086 0.000 1.040 1255 V CA 0.504 62.685 62.300 -0.199 0.000 1.008 1255 V CB 0.894 32.363 31.823 -0.590 0.000 0.990 1255 V HN 1.131 nan 8.190 nan 0.000 0.477 1256 S N 3.320 118.949 115.700 -0.118 0.000 2.672 1256 S HA 0.854 5.323 4.470 -0.001 0.000 0.271 1256 S C -0.596 173.988 174.600 -0.026 0.000 1.171 1256 S CA -0.375 57.826 58.200 0.002 0.000 0.817 1256 S CB 2.422 65.687 63.200 0.109 0.000 1.150 1256 S HN 0.864 nan 8.310 nan 0.000 0.478 1257 T N -2.036 112.555 114.554 0.062 0.000 2.900 1257 T HA 0.688 5.037 4.350 -0.001 0.000 0.303 1257 T C 0.148 174.951 174.700 0.172 0.000 1.142 1257 T CA -0.296 61.842 62.100 0.063 0.000 1.007 1257 T CB 1.566 70.455 68.868 0.034 0.000 1.156 1257 T HN 0.907 nan 8.240 nan 0.000 0.490 1258 Q N -0.576 119.280 119.800 0.093 0.000 2.234 1258 Q HA -0.236 4.103 4.340 -0.001 0.000 0.178 1258 Q C -0.261 175.819 176.000 0.133 0.000 2.907 1258 Q CA 1.742 57.590 55.803 0.076 0.000 0.208 1258 Q CB -1.444 27.356 28.738 0.104 0.000 0.209 1258 Q HN 0.724 nan 8.270 nan 0.000 0.389 1259 L N 1.549 122.866 121.223 0.158 0.000 2.329 1259 L HA 0.536 4.875 4.340 -0.001 0.000 0.279 1259 L C -0.252 176.662 176.870 0.073 0.000 1.014 1259 L CA -0.568 54.293 54.840 0.034 0.000 0.814 1259 L CB 1.291 43.124 42.059 -0.377 0.000 1.257 1259 L HN 0.092 nan 8.230 nan 0.000 0.424 1260 L N 4.645 125.899 121.223 0.052 0.000 2.275 1260 L HA 0.517 4.857 4.340 -0.001 0.000 0.288 1260 L C -0.519 176.368 176.870 0.027 0.000 1.046 1260 L CA -0.330 54.542 54.840 0.054 0.000 0.805 1260 L CB 1.187 43.282 42.059 0.060 0.000 1.193 1260 L HN 0.434 nan 8.230 nan 0.000 0.426 1261 L N 3.761 125.000 121.223 0.027 0.000 2.342 1261 L HA 0.483 4.823 4.340 -0.001 0.000 0.271 1261 L C 0.231 177.118 176.870 0.028 0.000 1.008 1261 L CA -0.888 53.945 54.840 -0.011 0.000 0.818 1261 L CB 1.553 43.565 42.059 -0.079 0.000 1.296 1261 L HN 0.607 nan 8.230 nan 0.000 0.427 1262 N N 0.456 119.165 118.700 0.015 0.000 2.714 1262 N HA -0.163 4.577 4.740 -0.001 0.000 0.250 1262 N C 0.207 175.760 175.510 0.072 0.000 1.117 1262 N CA 1.062 54.133 53.050 0.035 0.000 0.719 1262 N CB -1.239 37.267 38.487 0.033 0.000 1.081 1262 N HN 0.974 nan 8.380 nan 0.000 0.557 1263 G N -1.176 107.673 108.800 0.081 0.000 2.494 1263 G HA2 0.503 4.462 3.960 -0.001 0.000 0.270 1263 G HA3 0.503 4.462 3.960 -0.001 0.000 0.270 1263 G C -0.287 174.682 174.900 0.114 0.000 1.423 1263 G CA -0.188 44.985 45.100 0.121 0.000 1.055 1263 G HN 0.165 nan 8.290 nan 0.000 0.536 1264 S N -0.141 115.639 115.700 0.133 0.000 2.429 1264 S HA 0.437 4.906 4.470 -0.001 0.000 0.302 1264 S C 0.200 174.837 174.600 0.063 0.000 1.115 1264 S CA -0.421 57.832 58.200 0.089 0.000 1.095 1264 S CB 0.957 64.189 63.200 0.053 0.000 0.987 1264 S HN 0.374 nan 8.310 nan 0.000 0.474 1265 L N 2.289 123.533 121.223 0.035 0.000 2.466 1265 L HA 0.486 4.826 4.340 -0.001 0.000 0.257 1265 L C 0.889 177.768 176.870 0.015 0.000 1.189 1265 L CA -0.707 54.143 54.840 0.017 0.000 0.813 1265 L CB 0.266 42.327 42.059 0.003 0.000 1.118 1265 L HN 0.664 nan 8.230 nan 0.000 0.471 1266 A N 0.729 123.550 122.820 0.002 0.000 2.351 1266 A HA 0.240 4.560 4.320 -0.001 0.000 0.257 1266 A C 0.873 178.455 177.584 -0.005 0.000 1.087 1266 A CA -0.415 51.624 52.037 0.004 0.000 0.798 1266 A CB 0.351 19.340 19.000 -0.018 0.000 1.033 1266 A HN 0.888 nan 8.150 nan 0.000 0.488 1267 E N 0.987 121.186 120.200 -0.002 0.000 2.042 1267 E HA -0.088 4.261 4.350 -0.001 0.000 0.189 1267 E C 0.720 177.311 176.600 -0.014 0.000 0.974 1267 E CA 0.594 56.988 56.400 -0.009 0.000 0.806 1267 E CB -0.198 29.496 29.700 -0.011 0.000 0.769 1267 E HN 0.711 nan 8.360 nan 0.000 0.451 1268 E N 1.615 121.807 120.200 -0.014 0.000 2.007 1268 E HA 0.042 4.391 4.350 -0.001 0.000 0.204 1268 E C 0.556 177.140 176.600 -0.026 0.000 0.933 1268 E CA 0.905 57.294 56.400 -0.018 0.000 0.924 1268 E CB -0.049 29.642 29.700 -0.016 0.000 0.868 1268 E HN 0.257 nan 8.360 nan 0.000 0.535 1269 E N 0.057 120.238 120.200 -0.031 0.000 2.339 1269 E HA 0.436 4.786 4.350 -0.001 0.000 0.262 1269 E C -0.108 176.462 176.600 -0.051 0.000 0.934 1269 E CA -0.744 55.630 56.400 -0.043 0.000 0.802 1269 E CB 1.654 31.328 29.700 -0.045 0.000 1.275 1269 E HN 0.072 nan 8.360 nan 0.000 0.427 1270 I N 1.392 121.923 120.570 -0.066 0.000 2.845 1270 I HA -0.065 4.104 4.170 -0.001 0.000 0.296 1270 I C -0.333 175.742 176.117 -0.071 0.000 1.216 1270 I CA 0.452 61.706 61.300 -0.076 0.000 1.438 1270 I CB 0.003 37.943 38.000 -0.100 0.000 1.342 1270 I HN 0.111 nan 8.210 nan 0.000 0.577 1271 V N 7.191 127.062 119.914 -0.071 0.000 2.588 1271 V HA 0.455 4.575 4.120 -0.001 0.000 0.304 1271 V C -0.115 175.946 176.094 -0.055 0.000 1.042 1271 V CA -0.645 61.612 62.300 -0.071 0.000 0.877 1271 V CB 1.947 33.718 31.823 -0.087 0.000 0.996 1271 V HN 0.548 nan 8.190 nan 0.000 0.425 1272 I N 2.219 122.781 120.570 -0.013 0.000 2.404 1272 I HA 0.780 4.949 4.170 -0.001 0.000 0.293 1272 I C -0.386 175.872 176.117 0.236 0.000 0.992 1272 I CA -0.591 60.767 61.300 0.098 0.000 1.149 1272 I CB 1.525 39.599 38.000 0.123 0.000 1.315 1272 I HN 0.492 nan 8.210 nan 0.000 0.446 1273 R N 3.764 124.403 120.500 0.232 0.000 2.628 1273 R HA 0.691 5.031 4.340 -0.001 0.000 0.288 1273 R C -1.116 175.280 176.300 0.160 0.000 0.980 1273 R CA -0.849 55.404 56.100 0.255 0.000 0.891 1273 R CB 2.339 32.679 30.300 0.067 0.000 1.188 1273 R HN 0.801 nan 8.270 nan 0.000 0.450 1274 S N 0.364 115.983 115.700 -0.136 0.000 2.572 1274 S HA 0.048 4.517 4.470 -0.001 0.000 0.274 1274 S C 0.535 174.634 174.600 -0.835 0.000 1.150 1274 S CA -0.713 57.041 58.200 -0.744 0.000 0.944 1274 S CB 1.801 63.989 63.200 -1.687 0.000 1.071 1274 S HN 0.829 nan 8.310 nan 0.000 0.479 1275 E N 2.775 121.905 120.200 -1.783 0.000 2.333 1275 E HA -0.168 4.181 4.350 -0.001 0.000 0.200 1275 E C 0.116 176.303 176.600 -0.690 0.000 1.010 1275 E CA 0.998 56.357 56.400 -1.735 0.000 0.841 1275 E CB 0.108 28.806 29.700 -1.669 0.000 0.757 1275 E HN 0.486 nan 8.360 nan 0.000 0.508 1276 N N -1.418 116.943 118.700 -0.566 0.000 3.429 1276 N HA -0.023 4.716 4.740 -0.001 0.000 0.221 1276 N C -0.903 174.471 175.510 -0.226 0.000 1.195 1276 N CA -0.333 52.557 53.050 -0.266 0.000 0.938 1276 N CB -0.316 38.056 38.487 -0.193 0.000 1.609 1276 N HN -0.049 nan 8.380 nan 0.000 0.704 1277 F N 1.032 120.960 119.950 -0.035 0.000 2.325 1277 F HA -0.019 4.508 4.527 -0.001 0.000 0.299 1277 F C 2.259 178.183 175.800 0.207 0.000 1.090 1277 F CA 1.149 59.202 58.000 0.087 0.000 1.392 1277 F CB 0.333 39.309 39.000 -0.040 0.000 1.053 1277 F HN 0.416 nan 8.300 nan 0.000 0.521 1278 T N -1.105 113.604 114.554 0.259 0.000 2.812 1278 T HA -0.168 4.182 4.350 -0.001 0.000 0.264 1278 T C 1.062 175.814 174.700 0.086 0.000 1.042 1278 T CA 0.679 62.892 62.100 0.190 0.000 1.140 1278 T CB -0.393 68.541 68.868 0.110 0.000 0.870 1278 T HN -0.025 nan 8.240 nan 0.000 0.445 1279 N N 3.060 121.771 118.700 0.018 0.000 2.400 1279 N HA -0.020 4.720 4.740 -0.001 0.000 0.267 1279 N C 0.975 176.458 175.510 -0.045 0.000 1.208 1279 N CA -0.142 52.886 53.050 -0.036 0.000 0.951 1279 N CB 0.157 38.595 38.487 -0.082 0.000 1.227 1279 N HN 0.405 nan 8.380 nan 0.000 0.488 1280 N N 2.752 121.425 118.700 -0.044 0.000 2.520 1280 N HA -0.141 4.599 4.740 -0.001 0.000 0.185 1280 N C 0.497 175.962 175.510 -0.074 0.000 1.068 1280 N CA 0.420 53.429 53.050 -0.067 0.000 0.911 1280 N CB 0.036 38.459 38.487 -0.107 0.000 0.961 1280 N HN 0.371 nan 8.380 nan 0.000 0.446 1281 A N 0.104 122.878 122.820 -0.077 0.000 2.532 1281 A HA 0.185 4.504 4.320 -0.001 0.000 0.273 1281 A C 0.074 177.594 177.584 -0.106 0.000 1.342 1281 A CA -0.272 51.717 52.037 -0.079 0.000 0.929 1281 A CB 0.081 19.040 19.000 -0.068 0.000 1.051 1281 A HN -0.016 nan 8.150 nan 0.000 0.521 1282 K N 1.172 121.491 120.400 -0.136 0.000 2.535 1282 K HA 0.310 4.629 4.320 -0.001 0.000 0.253 1282 K C -0.654 175.824 176.600 -0.204 0.000 0.953 1282 K CA -0.211 55.945 56.287 -0.219 0.000 0.863 1282 K CB 1.273 33.576 32.500 -0.328 0.000 1.111 1282 K HN 0.188 nan 8.250 nan 0.000 0.431 1283 T N 3.421 117.880 114.554 -0.157 0.000 2.934 1283 T HA 0.123 4.473 4.350 -0.001 0.000 0.306 1283 T C 0.935 175.570 174.700 -0.109 0.000 1.042 1283 T CA 0.223 62.275 62.100 -0.080 0.000 1.145 1283 T CB 0.203 69.054 68.868 -0.028 0.000 0.982 1283 T HN 0.311 nan 8.240 nan 0.000 0.544 1284 I N 3.604 124.161 120.570 -0.022 0.000 2.331 1284 I HA 0.353 4.522 4.170 -0.001 0.000 0.292 1284 I C 0.174 176.339 176.117 0.080 0.000 0.998 1284 I CA -0.558 60.737 61.300 -0.008 0.000 1.267 1284 I CB 0.946 39.026 38.000 0.133 0.000 1.386 1284 I HN 0.459 nan 8.210 nan 0.000 0.476 1285 I N 6.988 127.628 120.570 0.117 0.000 2.304 1285 I HA 0.259 4.429 4.170 -0.001 0.000 0.291 1285 I C -0.260 175.892 176.117 0.059 0.000 1.018 1285 I CA -0.632 60.726 61.300 0.097 0.000 1.260 1285 I CB 1.310 39.375 38.000 0.109 0.000 1.390 1285 I HN 0.227 nan 8.210 nan 0.000 0.475 1286 V N 6.698 126.638 119.914 0.043 0.000 2.439 1286 V HA 0.256 4.376 4.120 -0.001 0.000 0.282 1286 V C 0.023 176.106 176.094 -0.018 0.000 1.039 1286 V CA -0.451 61.855 62.300 0.010 0.000 0.913 1286 V CB 1.530 33.355 31.823 0.003 0.000 0.983 1286 V HN 0.716 nan 8.190 nan 0.000 0.460 1287 Q N 4.409 124.180 119.800 -0.048 0.000 2.333 1287 Q HA 0.552 4.892 4.340 -0.001 0.000 0.268 1287 Q C -1.247 174.719 176.000 -0.056 0.000 1.007 1287 Q CA -0.612 55.162 55.803 -0.049 0.000 0.810 1287 Q CB 1.555 30.245 28.738 -0.080 0.000 1.264 1287 Q HN 0.694 nan 8.270 nan 0.000 0.452 1288 L N 3.143 124.336 121.223 -0.050 0.000 2.436 1288 L HA 0.253 4.592 4.340 -0.001 0.000 0.265 1288 L C 1.073 177.914 176.870 -0.049 0.000 1.168 1288 L CA -0.416 54.382 54.840 -0.069 0.000 0.815 1288 L CB 0.517 42.533 42.059 -0.072 0.000 1.109 1288 L HN 0.751 nan 8.230 nan 0.000 0.462 1289 N N 0.959 119.624 118.700 -0.057 0.000 2.328 1289 N HA 0.102 4.841 4.740 -0.001 0.000 0.247 1289 N C -0.541 174.946 175.510 -0.039 0.000 1.165 1289 N CA -0.138 52.887 53.050 -0.041 0.000 0.873 1289 N CB 0.938 39.399 38.487 -0.044 0.000 1.125 1289 N HN 0.714 nan 8.380 nan 0.000 0.513 1290 E N 0.134 120.308 120.200 -0.042 0.000 2.677 1290 E HA 0.155 4.504 4.350 -0.001 0.000 0.330 1290 E C -1.195 175.385 176.600 -0.033 0.000 0.933 1290 E CA -0.217 56.161 56.400 -0.037 0.000 0.797 1290 E CB 1.124 30.795 29.700 -0.049 0.000 1.326 1290 E HN 0.070 nan 8.360 nan 0.000 0.404 1291 S N 0.883 116.572 115.700 -0.018 0.000 2.580 1291 S HA 0.223 4.692 4.470 -0.001 0.000 0.261 1291 S C -0.267 174.329 174.600 -0.006 0.000 1.366 1291 S CA -0.240 57.954 58.200 -0.010 0.000 0.996 1291 S CB 0.881 64.077 63.200 -0.007 0.000 0.902 1291 S HN 0.342 nan 8.310 nan 0.000 0.566 1292 V N 2.103 122.022 119.914 0.008 0.000 2.498 1292 V HA 0.203 4.323 4.120 -0.001 0.000 0.283 1292 V C -0.307 175.784 176.094 -0.004 0.000 1.015 1292 V CA -0.747 61.569 62.300 0.027 0.000 0.867 1292 V CB 1.383 33.274 31.823 0.115 0.000 1.025 1292 V HN 0.646 nan 8.190 nan 0.000 0.441 1293 V N 5.733 125.636 119.914 -0.018 0.000 2.673 1293 V HA 0.243 4.362 4.120 -0.001 0.000 0.303 1293 V C 0.110 176.166 176.094 -0.063 0.000 1.046 1293 V CA 0.416 62.693 62.300 -0.039 0.000 1.126 1293 V CB 1.381 33.186 31.823 -0.029 0.000 0.934 1293 V HN 0.752 nan 8.190 nan 0.000 0.487 1294 I N 5.547 126.064 120.570 -0.089 0.000 2.476 1294 I HA 0.457 4.626 4.170 -0.001 0.000 0.281 1294 I C -0.685 175.376 176.117 -0.093 0.000 1.040 1294 I CA -0.402 60.828 61.300 -0.116 0.000 1.094 1294 I CB 0.928 38.817 38.000 -0.185 0.000 1.219 1294 I HN 0.547 nan 8.210 nan 0.000 0.450 1295 N N 6.538 125.204 118.700 -0.056 0.000 2.430 1295 N HA 0.481 5.220 4.740 -0.001 0.000 0.292 1295 N C -1.271 174.241 175.510 0.003 0.000 1.051 1295 N CA -0.291 52.741 53.050 -0.030 0.000 0.917 1295 N CB 1.927 40.406 38.487 -0.014 0.000 1.164 1295 N HN 0.464 nan 8.380 nan 0.000 0.484 1296 c N 0.130 118.743 118.600 0.022 0.000 2.456 1296 c HA 0.430 4.999 4.570 -0.001 0.000 0.325 1296 c C 1.722 175.884 174.090 0.119 0.000 1.217 1296 c CA -0.691 55.696 56.329 0.096 0.000 1.687 1296 c CB 1.283 43.861 42.510 0.114 0.000 2.270 1296 c HN 0.754 nan 8.230 nan 0.000 0.499 1297 T N 0.175 114.819 114.554 0.150 0.000 3.105 1297 T HA 0.298 4.647 4.350 -0.001 0.000 0.253 1297 T C 1.513 176.305 174.700 0.154 0.000 1.047 1297 T CA 1.313 63.491 62.100 0.130 0.000 0.944 1297 T CB -0.608 68.325 68.868 0.109 0.000 1.016 1297 T HN 1.410 nan 8.240 nan 0.000 0.544 1298 G N 1.123 110.055 108.800 0.221 0.000 2.322 1298 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.264 1298 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.264 1298 G C 0.572 175.542 174.900 0.117 0.000 0.992 1298 G CA 0.354 45.573 45.100 0.199 0.000 0.624 1298 G HN 1.054 nan 8.290 nan 0.000 0.543 1330 H N -1.150 117.994 119.070 0.123 0.000 3.042 1330 H HA 0.585 5.140 4.556 -0.001 0.000 0.346 1330 H C -1.290 174.108 175.328 0.117 0.000 1.294 1330 H CA -0.407 55.703 56.048 0.103 0.000 1.141 1330 H CB 2.279 32.080 29.762 0.066 0.000 1.872 1330 H HN 0.174 nan 8.280 nan 0.000 0.541 1331 c N 2.461 121.202 118.600 0.235 0.000 2.516 1331 c HA 0.328 4.898 4.570 -0.001 0.000 0.338 1331 c C -0.345 173.781 174.090 0.059 0.000 1.132 1331 c CA -1.047 55.358 56.329 0.127 0.000 1.310 1331 c CB 0.566 43.145 42.510 0.115 0.000 1.898 1331 c HN 0.597 nan 8.230 nan 0.000 0.452 1332 N N 2.459 121.168 118.700 0.015 0.000 2.456 1332 N HA 0.775 5.514 4.740 -0.001 0.000 0.296 1332 N C -0.935 174.533 175.510 -0.069 0.000 1.102 1332 N CA -0.346 52.687 53.050 -0.028 0.000 0.924 1332 N CB 1.913 40.387 38.487 -0.023 0.000 1.186 1332 N HN 0.691 nan 8.380 nan 0.000 0.492 1333 L N -0.366 120.799 121.223 -0.098 0.000 2.393 1333 L HA 0.419 4.758 4.340 -0.001 0.000 0.260 1333 L C -0.244 176.581 176.870 -0.075 0.000 1.002 1333 L CA -0.711 54.054 54.840 -0.125 0.000 0.818 1333 L CB 2.136 44.041 42.059 -0.258 0.000 1.369 1333 L HN 0.456 nan 8.230 nan 0.000 0.412 1334 S N 2.276 117.955 115.700 -0.035 0.000 2.455 1334 S HA 0.103 4.572 4.470 -0.001 0.000 0.278 1334 S C 0.893 175.510 174.600 0.027 0.000 1.216 1334 S CA -0.082 58.116 58.200 -0.003 0.000 1.055 1334 S CB 0.769 63.974 63.200 0.009 0.000 0.939 1334 S HN 0.771 nan 8.310 nan 0.000 0.494 1335 K N 3.474 123.885 120.400 0.019 0.000 1.985 1335 K HA -0.115 4.205 4.320 -0.001 0.000 0.210 1335 K C 1.707 178.351 176.600 0.073 0.000 1.047 1335 K CA 2.128 58.443 56.287 0.047 0.000 0.932 1335 K CB -0.659 31.859 32.500 0.030 0.000 0.716 1335 K HN 0.697 nan 8.250 nan 0.000 0.439 1336 T N 1.419 115.998 114.554 0.042 0.000 2.833 1336 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 1336 T C 1.840 176.548 174.700 0.013 0.000 1.054 1336 T CA 1.199 63.316 62.100 0.029 0.000 1.135 1336 T CB -0.103 68.775 68.868 0.017 0.000 0.869 1336 T HN 0.348 nan 8.240 nan 0.000 0.466 1337 Q N -0.586 119.230 119.800 0.026 0.000 2.046 1337 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 1337 Q C 2.156 178.155 176.000 -0.003 0.000 0.975 1337 Q CA 1.116 56.924 55.803 0.009 0.000 0.836 1337 Q CB -0.193 28.564 28.738 0.032 0.000 0.896 1337 Q HN 0.666 nan 8.270 nan 0.000 0.428 1338 W N 1.542 122.745 121.300 -0.162 0.000 2.381 1338 W HA -0.168 4.491 4.660 -0.001 0.000 0.301 1338 W C 1.850 178.196 176.519 -0.288 0.000 1.205 1338 W CA 1.099 58.302 57.345 -0.238 0.000 1.285 1338 W CB 0.113 29.427 29.460 -0.244 0.000 1.133 1338 W HN 0.201 nan 8.180 nan 0.000 0.521 1339 E N 0.770 120.909 120.200 -0.101 0.000 2.058 1339 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 1339 E C 1.622 178.045 176.600 -0.294 0.000 0.997 1339 E CA 1.557 57.850 56.400 -0.179 0.000 0.801 1339 E CB -0.746 28.974 29.700 0.034 0.000 0.746 1339 E HN 0.500 nan 8.360 nan 0.000 0.450 1340 N N -0.726 117.853 118.700 -0.202 0.000 2.244 1340 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 1340 N C 1.738 177.052 175.510 -0.326 0.000 1.016 1340 N CA 1.451 54.386 53.050 -0.191 0.000 0.866 1340 N CB 0.007 38.424 38.487 -0.117 0.000 0.980 1340 N HN 0.137 nan 8.380 nan 0.000 0.430 1341 T N 1.863 116.141 114.554 -0.461 0.000 2.588 1341 T HA -0.107 4.243 4.350 -0.001 0.000 0.261 1341 T C 2.045 176.289 174.700 -0.761 0.000 1.069 1341 T CA 0.768 62.510 62.100 -0.597 0.000 1.172 1341 T CB -0.642 67.739 68.868 -0.812 0.000 0.863 1341 T HN 0.112 nan 8.240 nan 0.000 0.408 1342 L N 0.858 121.394 121.223 -1.143 0.000 2.103 1342 L HA -0.264 4.076 4.340 -0.001 0.000 0.215 1342 L C 2.819 179.073 176.870 -1.027 0.000 1.080 1342 L CA 1.759 55.791 54.840 -1.347 0.000 0.764 1342 L CB -0.552 40.401 42.059 -1.844 0.000 0.890 1342 L HN 0.429 nan 8.230 nan 0.000 0.435 1343 E N -0.709 119.006 120.200 -0.809 0.000 2.058 1343 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 1343 E C 2.260 178.754 176.600 -0.176 0.000 0.997 1343 E CA 1.287 57.490 56.400 -0.329 0.000 0.801 1343 E CB 0.132 29.767 29.700 -0.107 0.000 0.746 1343 E HN 0.428 nan 8.360 nan 0.000 0.450 1344 Q N 0.267 119.931 119.800 -0.227 0.000 2.079 1344 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 1344 Q C 2.420 178.333 176.000 -0.146 0.000 0.974 1344 Q CA 1.106 56.818 55.803 -0.153 0.000 0.840 1344 Q CB -0.361 28.278 28.738 -0.165 0.000 0.898 1344 Q HN 0.459 nan 8.270 nan 0.000 0.430 1345 I N 0.968 121.406 120.570 -0.220 0.000 2.194 1345 I HA -0.313 3.857 4.170 -0.001 0.000 0.246 1345 I C 2.326 178.412 176.117 -0.052 0.000 1.093 1345 I CA 1.265 62.468 61.300 -0.162 0.000 1.355 1345 I CB -0.445 37.406 38.000 -0.249 0.000 1.046 1345 I HN 0.094 nan 8.210 nan 0.000 0.413 1346 A N 0.995 123.827 122.820 0.020 0.000 1.873 1346 A HA -0.149 4.170 4.320 -0.001 0.000 0.215 1346 A C 2.311 179.942 177.584 0.078 0.000 1.186 1346 A CA 1.361 53.483 52.037 0.141 0.000 0.616 1346 A CB -0.800 18.422 19.000 0.370 0.000 0.823 1346 A HN 0.359 nan 8.150 nan 0.000 0.442 1347 I N -0.482 120.117 120.570 0.049 0.000 2.194 1347 I HA -0.287 3.883 4.170 -0.001 0.000 0.246 1347 I C 2.325 178.431 176.117 -0.018 0.000 1.093 1347 I CA 1.409 62.723 61.300 0.024 0.000 1.355 1347 I CB -0.215 37.787 38.000 0.003 0.000 1.046 1347 I HN 0.205 nan 8.210 nan 0.000 0.413 1348 K N 0.487 120.857 120.400 -0.050 0.000 2.167 1348 K HA 0.007 4.326 4.320 -0.001 0.000 0.203 1348 K C 2.087 178.614 176.600 -0.122 0.000 1.052 1348 K CA 0.959 57.190 56.287 -0.093 0.000 0.956 1348 K CB -0.249 32.191 32.500 -0.100 0.000 0.735 1348 K HN 0.354 nan 8.250 nan 0.000 0.451 1349 L N 1.375 122.555 121.223 -0.072 0.000 2.093 1349 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 1349 L C 2.208 179.123 176.870 0.074 0.000 1.085 1349 L CA 1.382 56.208 54.840 -0.024 0.000 0.755 1349 L CB -0.283 41.724 42.059 -0.086 0.000 0.904 1349 L HN 0.220 nan 8.230 nan 0.000 0.435 1350 K N -0.248 120.197 120.400 0.074 0.000 2.459 1350 K HA -0.137 4.182 4.320 -0.001 0.000 0.193 1350 K C 1.623 178.216 176.600 -0.012 0.000 1.030 1350 K CA 0.699 57.043 56.287 0.095 0.000 1.026 1350 K CB -0.093 32.465 32.500 0.097 0.000 0.809 1350 K HN 0.284 nan 8.250 nan 0.000 0.504 1351 E N 0.949 121.096 120.200 -0.090 0.000 2.435 1351 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 1351 E C 1.465 177.920 176.600 -0.242 0.000 1.029 1351 E CA 0.420 56.739 56.400 -0.134 0.000 0.865 1351 E CB 0.334 29.952 29.700 -0.136 0.000 0.833 1351 E HN 0.330 nan 8.360 nan 0.000 0.510 1352 Q N -1.231 118.339 119.800 -0.383 0.000 2.391 1352 Q HA 0.086 4.426 4.340 -0.001 0.000 0.243 1352 Q C 0.786 176.375 176.000 -0.684 0.000 0.874 1352 Q CA 0.342 55.722 55.803 -0.705 0.000 0.950 1352 Q CB 0.538 28.520 28.738 -1.260 0.000 1.103 1352 Q HN 0.339 nan 8.270 nan 0.000 0.544 1353 F N -0.196 119.722 119.950 -0.053 0.000 2.706 1353 F HA 0.400 4.927 4.527 -0.001 0.000 0.313 1353 F C 0.714 176.511 175.800 -0.004 0.000 1.096 1353 F CA 0.116 58.114 58.000 -0.004 0.000 1.219 1353 F CB 1.659 40.691 39.000 0.053 0.000 1.051 1353 F HN -0.039 nan 8.300 nan 0.000 0.568 1354 G N 1.372 110.233 108.800 0.103 0.000 2.841 1354 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.684 1354 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.684 1354 G C -0.160 174.777 174.900 0.062 0.000 1.273 1354 G CA -0.276 44.865 45.100 0.068 0.000 0.811 1354 G HN 0.247 nan 8.290 nan 0.000 0.631 1355 N N 0.683 119.403 118.700 0.032 0.000 2.166 1355 N HA -0.101 4.638 4.740 -0.001 0.000 0.186 1355 N C 1.644 177.176 175.510 0.036 0.000 1.019 1355 N CA 1.284 54.352 53.050 0.030 0.000 0.856 1355 N CB -0.036 38.459 38.487 0.014 0.000 0.993 1355 N HN 0.625 nan 8.380 nan 0.000 0.426 1356 N N -0.128 118.591 118.700 0.031 0.000 2.515 1356 N HA -0.002 4.737 4.740 -0.001 0.000 0.191 1356 N C -0.494 175.034 175.510 0.030 0.000 1.182 1356 N CA 0.060 53.125 53.050 0.025 0.000 0.879 1356 N CB 0.339 38.836 38.487 0.016 0.000 0.984 1356 N HN 0.128 nan 8.380 nan 0.000 0.453 1357 K N 1.179 121.609 120.400 0.050 0.000 2.185 1357 K HA 0.173 4.492 4.320 -0.001 0.000 0.271 1357 K C -0.118 176.514 176.600 0.054 0.000 1.013 1357 K CA 0.087 56.407 56.287 0.055 0.000 0.943 1357 K CB 1.187 33.747 32.500 0.100 0.000 0.998 1357 K HN -0.104 nan 8.250 nan 0.000 0.468 1358 T N 3.158 117.730 114.554 0.029 0.000 2.733 1358 T HA 0.362 4.711 4.350 -0.001 0.000 0.294 1358 T C 0.302 175.028 174.700 0.044 0.000 0.956 1358 T CA -0.607 61.506 62.100 0.021 0.000 0.987 1358 T CB 0.364 69.225 68.868 -0.012 0.000 0.920 1358 T HN 0.188 nan 8.240 nan 0.000 0.470 1359 I N 3.836 124.461 120.570 0.091 0.000 2.385 1359 I HA 0.498 4.668 4.170 -0.001 0.000 0.294 1359 I C 0.006 176.184 176.117 0.100 0.000 0.988 1359 I CA -0.594 60.795 61.300 0.149 0.000 1.265 1359 I CB 0.887 39.029 38.000 0.237 0.000 1.388 1359 I HN 0.581 nan 8.210 nan 0.000 0.480 1360 I N 5.848 126.447 120.570 0.049 0.000 2.680 1360 I HA 0.295 4.465 4.170 -0.001 0.000 0.291 1360 I C -1.315 174.846 176.117 0.074 0.000 1.244 1360 I CA -0.471 60.892 61.300 0.104 0.000 1.042 1360 I CB 1.865 39.892 38.000 0.044 0.000 1.277 1360 I HN 0.232 nan 8.210 nan 0.000 0.423 1361 F N 4.619 124.839 119.950 0.450 0.000 2.421 1361 F HA 0.511 5.038 4.527 -0.001 0.000 0.337 1361 F C 0.441 176.454 175.800 0.356 0.000 1.105 1361 F CA -0.344 57.923 58.000 0.445 0.000 1.049 1361 F CB 1.300 40.601 39.000 0.502 0.000 1.139 1361 F HN 0.334 nan 8.300 nan 0.000 0.479 1362 N N 2.833 121.800 118.700 0.444 0.000 2.357 1362 N HA 0.423 5.162 4.740 -0.001 0.000 0.284 1362 N C -2.892 172.795 175.510 0.295 0.000 1.236 1362 N CA -1.765 51.474 53.050 0.315 0.000 0.774 1362 N CB 2.500 41.095 38.487 0.180 0.000 1.534 1362 N HN 0.151 nan 8.380 nan 0.000 0.478 1363 P HA -0.056 nan 4.420 nan 0.000 0.273 1363 P C -0.058 177.299 177.300 0.094 0.000 1.258 1363 P CA -0.000 63.217 63.100 0.196 0.000 0.802 1363 P CB 0.397 32.206 31.700 0.180 0.000 1.040 1364 S N -0.426 115.306 115.700 0.053 0.000 2.573 1364 S HA 0.021 4.491 4.470 -0.001 0.000 0.277 1364 S C 1.282 175.904 174.600 0.038 0.000 1.346 1364 S CA 0.068 58.282 58.200 0.023 0.000 1.034 1364 S CB -0.313 62.900 63.200 0.023 0.000 0.879 1364 S HN 0.301 nan 8.310 nan 0.000 0.528 1365 S N 2.274 117.988 115.700 0.023 0.000 2.446 1365 S HA 0.384 4.854 4.470 -0.001 0.000 0.225 1365 S C 0.847 175.461 174.600 0.024 0.000 1.016 1365 S CA 0.499 58.711 58.200 0.021 0.000 0.943 1365 S CB -0.342 62.862 63.200 0.006 0.000 0.786 1365 S HN 1.249 nan 8.310 nan 0.000 0.508 1366 G N -1.250 107.566 108.800 0.026 0.000 2.369 1366 G HA2 0.491 4.451 3.960 -0.001 0.000 0.293 1366 G HA3 0.491 4.451 3.960 -0.001 0.000 0.293 1366 G C -0.381 174.536 174.900 0.028 0.000 1.301 1366 G CA -0.254 44.864 45.100 0.029 0.000 0.913 1366 G HN 0.948 nan 8.290 nan 0.000 0.540 1367 G N -0.822 107.996 108.800 0.031 0.000 2.306 1367 G HA2 0.416 4.376 3.960 -0.001 0.000 0.262 1367 G HA3 0.416 4.376 3.960 -0.001 0.000 0.262 1367 G C -1.019 173.908 174.900 0.044 0.000 1.263 1367 G CA 0.303 45.422 45.100 0.032 0.000 1.088 1367 G HN 1.140 nan 8.290 nan 0.000 0.489 1368 D N 1.443 121.874 120.400 0.051 0.000 2.378 1368 D HA 0.376 5.015 4.640 -0.001 0.000 0.238 1368 D C -0.989 175.369 176.300 0.097 0.000 1.180 1368 D CA -0.852 53.189 54.000 0.069 0.000 0.895 1368 D CB 0.855 41.700 40.800 0.074 0.000 1.192 1368 D HN 0.044 nan 8.370 nan 0.000 0.438 1369 P HA -0.158 nan 4.420 nan 0.000 0.214 1369 P C 0.864 178.312 177.300 0.247 0.000 1.163 1369 P CA 1.433 64.644 63.100 0.184 0.000 0.889 1369 P CB 0.251 32.060 31.700 0.181 0.000 0.790 1370 E N -1.147 119.215 120.200 0.270 0.000 2.171 1370 E HA -0.188 4.162 4.350 -0.001 0.000 0.197 1370 E C 1.790 178.432 176.600 0.071 0.000 0.997 1370 E CA 1.040 57.512 56.400 0.120 0.000 0.810 1370 E CB -0.873 28.886 29.700 0.098 0.000 0.738 1370 E HN 0.200 nan 8.360 nan 0.000 0.467 1371 I N -0.831 119.789 120.570 0.085 0.000 2.852 1371 I HA -0.101 4.068 4.170 -0.001 0.000 0.264 1371 I C 1.735 177.890 176.117 0.064 0.000 1.179 1371 I CA 0.507 61.841 61.300 0.058 0.000 1.480 1371 I CB 0.205 38.233 38.000 0.047 0.000 1.111 1371 I HN -0.040 nan 8.210 nan 0.000 0.441 1372 V N -0.133 119.835 119.914 0.090 0.000 2.535 1372 V HA -0.045 4.074 4.120 -0.001 0.000 0.246 1372 V C 1.210 177.379 176.094 0.126 0.000 1.045 1372 V CA 1.463 63.819 62.300 0.094 0.000 1.058 1372 V CB -0.821 31.061 31.823 0.097 0.000 0.689 1372 V HN 0.537 nan 8.190 nan 0.000 0.461 1373 T N -2.405 112.244 114.554 0.159 0.000 2.944 1373 T HA 0.370 4.720 4.350 -0.001 0.000 0.284 1373 T C -0.158 174.660 174.700 0.196 0.000 1.010 1373 T CA -0.481 61.738 62.100 0.198 0.000 1.025 1373 T CB 1.273 70.289 68.868 0.246 0.000 1.079 1373 T HN 0.341 nan 8.240 nan 0.000 0.516 1374 H N 1.798 120.967 119.070 0.165 0.000 3.224 1374 H HA 0.426 4.981 4.556 -0.001 0.000 0.265 1374 H C 0.368 175.841 175.328 0.241 0.000 1.461 1374 H CA -0.474 55.678 56.048 0.172 0.000 1.509 1374 H CB -0.819 29.041 29.762 0.163 0.000 1.686 1374 H HN 0.737 nan 8.280 nan 0.000 0.514 1375 S N 3.958 119.583 115.700 -0.124 0.000 2.652 1375 S HA 0.676 5.145 4.470 -0.001 0.000 0.270 1375 S C -0.517 174.012 174.600 -0.117 0.000 1.243 1375 S CA -0.318 57.697 58.200 -0.309 0.000 0.999 1375 S CB 1.139 64.018 63.200 -0.534 0.000 0.973 1375 S HN 0.672 nan 8.310 nan 0.000 0.544 1376 F N -2.016 117.747 119.950 -0.311 0.000 2.843 1376 F HA 0.497 5.024 4.527 -0.001 0.000 0.323 1376 F C -1.651 174.107 175.800 -0.071 0.000 1.142 1376 F CA -1.160 56.726 58.000 -0.190 0.000 0.925 1376 F CB 0.588 39.435 39.000 -0.254 0.000 1.277 1376 F HN 0.646 nan 8.300 nan 0.000 0.446 1377 N N 1.480 120.154 118.700 -0.043 0.000 2.400 1377 N HA 0.566 5.305 4.740 -0.001 0.000 0.288 1377 N C -1.794 173.704 175.510 -0.020 0.000 1.024 1377 N CA -0.085 52.838 53.050 -0.212 0.000 0.894 1377 N CB 1.985 40.334 38.487 -0.230 0.000 1.173 1377 N HN 0.954 nan 8.380 nan 0.000 0.487 1378 c N 2.095 120.672 118.600 -0.039 0.000 2.535 1378 c HA 0.643 5.212 4.570 -0.001 0.000 0.319 1378 c C 1.297 175.403 174.090 0.027 0.000 1.171 1378 c CA 0.535 56.887 56.329 0.039 0.000 1.394 1378 c CB -0.043 42.472 42.510 0.008 0.000 1.990 1378 c HN 0.950 nan 8.230 nan 0.000 0.466 1379 G N 3.264 112.053 108.800 -0.018 0.000 2.244 1379 G HA2 0.060 4.020 3.960 -0.001 0.000 0.274 1379 G HA3 0.060 4.020 3.960 -0.001 0.000 0.274 1379 G C 1.302 176.142 174.900 -0.101 0.000 1.002 1379 G CA 1.501 46.580 45.100 -0.035 0.000 0.740 1379 G HN 2.737 nan 8.290 nan 0.000 0.516 1380 G N -2.021 106.655 108.800 -0.208 0.000 2.175 1380 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.244 1380 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.244 1380 G C -0.045 174.631 174.900 -0.372 0.000 0.982 1380 G CA 0.756 45.657 45.100 -0.331 0.000 0.641 1380 G HN 0.948 nan 8.290 nan 0.000 0.527 1381 E N -0.385 119.648 120.200 -0.278 0.000 2.195 1381 E HA 0.621 4.971 4.350 -0.001 0.000 0.271 1381 E C -0.661 175.729 176.600 -0.350 0.000 0.923 1381 E CA -0.895 55.357 56.400 -0.246 0.000 0.790 1381 E CB 0.935 30.542 29.700 -0.156 0.000 1.155 1381 E HN 0.119 nan 8.360 nan 0.000 0.402 1382 F N 2.016 121.888 119.950 -0.131 0.000 2.375 1382 F HA 0.291 4.818 4.527 -0.000 0.000 0.362 1382 F C 0.186 175.899 175.800 -0.145 0.000 1.129 1382 F CA -0.508 57.426 58.000 -0.109 0.000 1.154 1382 F CB 0.119 39.124 39.000 0.007 0.000 1.205 1382 F HN 0.255 nan 8.300 nan 0.000 0.513 1383 F N 2.503 122.172 119.950 -0.468 0.000 2.379 1383 F HA 0.411 4.938 4.527 -0.001 0.000 0.332 1383 F C -0.529 175.074 175.800 -0.329 0.000 1.096 1383 F CA -0.938 56.814 58.000 -0.414 0.000 1.105 1383 F CB 0.749 39.227 39.000 -0.871 0.000 1.189 1383 F HN 0.244 nan 8.300 nan 0.000 0.515 1384 Y N 1.442 121.762 120.300 0.032 0.000 2.488 1384 Y HA 0.395 4.945 4.550 -0.001 0.000 0.330 1384 Y C -0.584 175.394 175.900 0.129 0.000 1.013 1384 Y CA -1.113 57.027 58.100 0.068 0.000 1.304 1384 Y CB 1.216 39.698 38.460 0.037 0.000 1.098 1384 Y HN 0.451 nan 8.280 nan 0.000 0.498 1385 c N 2.923 121.705 118.600 0.304 0.000 2.341 1385 c HA 0.312 4.882 4.570 -0.001 0.000 0.338 1385 c C 0.558 174.795 174.090 0.244 0.000 1.257 1385 c CA -1.120 55.378 56.329 0.283 0.000 1.883 1385 c CB 0.593 43.311 42.510 0.347 0.000 2.334 1385 c HN 0.756 nan 8.230 nan 0.000 0.524 1386 N N 1.749 120.558 118.700 0.183 0.000 2.416 1386 N HA -0.026 4.714 4.740 -0.001 0.000 0.265 1386 N C 0.852 176.457 175.510 0.159 0.000 1.195 1386 N CA 0.268 53.414 53.050 0.160 0.000 0.943 1386 N CB 0.895 39.453 38.487 0.118 0.000 1.115 1386 N HN 0.846 nan 8.380 nan 0.000 0.481 1387 S N 1.707 117.531 115.700 0.206 0.000 2.679 1387 S HA 0.034 4.504 4.470 -0.001 0.000 0.233 1387 S C 1.287 176.039 174.600 0.253 0.000 0.951 1387 S CA -0.313 58.026 58.200 0.231 0.000 0.973 1387 S CB -0.081 63.374 63.200 0.426 0.000 0.778 1387 S HN 0.479 nan 8.310 nan 0.000 0.477 1388 T N 3.128 117.792 114.554 0.183 0.000 2.595 1388 T HA -0.193 4.157 4.350 -0.001 0.000 0.264 1388 T C 1.764 176.547 174.700 0.138 0.000 1.058 1388 T CA 1.890 64.097 62.100 0.179 0.000 1.166 1388 T CB -0.513 68.434 68.868 0.131 0.000 0.863 1388 T HN 0.553 nan 8.240 nan 0.000 0.415 1389 Q N 0.318 120.157 119.800 0.066 0.000 2.325 1389 Q HA -0.056 4.283 4.340 -0.001 0.000 0.211 1389 Q C 2.175 178.132 176.000 -0.072 0.000 0.988 1389 Q CA 0.965 56.777 55.803 0.015 0.000 0.887 1389 Q CB -0.368 28.359 28.738 -0.019 0.000 0.915 1389 Q HN 0.489 nan 8.270 nan 0.000 0.440 1390 L N -1.265 119.847 121.223 -0.186 0.000 2.375 1390 L HA 0.049 4.389 4.340 -0.001 0.000 0.215 1390 L C 0.028 176.535 176.870 -0.604 0.000 1.108 1390 L CA 0.242 54.740 54.840 -0.571 0.000 0.830 1390 L CB 0.437 41.927 42.059 -0.948 0.000 0.959 1390 L HN 0.125 nan 8.230 nan 0.000 0.457 1391 F N -0.753 119.312 119.950 0.192 0.000 2.660 1391 F HA 0.305 4.832 4.527 -0.001 0.000 0.352 1391 F C -0.292 175.682 175.800 0.290 0.000 1.257 1391 F CA -0.337 57.827 58.000 0.273 0.000 1.200 1391 F CB 1.192 40.346 39.000 0.256 0.000 1.473 1391 F HN -0.342 nan 8.300 nan 0.000 0.561 1392 T N 0.426 115.230 114.554 0.417 0.000 3.424 1392 T HA 0.106 4.455 4.350 -0.001 0.000 0.293 1392 T C -1.880 173.065 174.700 0.409 0.000 0.788 1392 T CA -0.506 61.806 62.100 0.354 0.000 1.337 1392 T CB 0.213 69.224 68.868 0.238 0.000 0.948 1392 T HN 0.444 nan 8.240 nan 0.000 0.534 1393 W N 4.497 125.950 121.300 0.256 0.000 3.259 1393 W HA 0.613 5.273 4.660 -0.001 0.000 0.331 1393 W C -1.484 175.177 176.519 0.236 0.000 1.144 1393 W CA -0.513 56.964 57.345 0.220 0.000 1.227 1393 W CB 1.158 30.745 29.460 0.211 0.000 1.371 1393 W HN 0.548 nan 8.180 nan 0.000 0.491 1394 N N 2.862 121.224 118.700 -0.564 0.000 2.453 1394 N HA 0.482 5.222 4.740 -0.001 0.000 0.290 1394 N C -0.806 174.028 175.510 -1.126 0.000 1.250 1394 N CA -0.621 52.064 53.050 -0.609 0.000 0.815 1394 N CB 1.287 39.605 38.487 -0.281 0.000 1.381 1394 N HN 0.235 nan 8.380 nan 0.000 0.510 1413 N N 1.493 120.185 118.700 -0.013 0.000 2.238 1413 N HA 0.487 5.227 4.740 -0.001 0.000 0.302 1413 N C -0.892 174.599 175.510 -0.033 0.000 1.072 1413 N CA -0.613 52.422 53.050 -0.025 0.000 0.792 1413 N CB 2.161 40.628 38.487 -0.032 0.000 1.425 1413 N HN 0.382 nan 8.380 nan 0.000 0.478 1414 I N 1.494 122.032 120.570 -0.053 0.000 2.312 1414 I HA 0.159 4.329 4.170 -0.001 0.000 0.291 1414 I C 0.089 176.164 176.117 -0.070 0.000 1.031 1414 I CA -0.053 61.203 61.300 -0.073 0.000 1.293 1414 I CB 0.808 38.720 38.000 -0.147 0.000 1.403 1414 I HN 0.189 nan 8.210 nan 0.000 0.484 1415 T N 7.748 122.283 114.554 -0.032 0.000 2.770 1415 T HA 0.478 4.827 4.350 -0.001 0.000 0.297 1415 T C -0.008 174.740 174.700 0.080 0.000 0.997 1415 T CA -0.477 61.630 62.100 0.011 0.000 0.949 1415 T CB 0.514 69.362 68.868 -0.033 0.000 0.941 1415 T HN 0.284 nan 8.240 nan 0.000 0.457 1416 L N 5.610 126.885 121.223 0.087 0.000 2.292 1416 L HA 0.409 4.748 4.340 -0.001 0.000 0.284 1416 L C -2.299 174.673 176.870 0.170 0.000 1.065 1416 L CA -2.365 52.533 54.840 0.097 0.000 0.806 1416 L CB 0.710 42.799 42.059 0.049 0.000 1.175 1416 L HN 0.262 nan 8.230 nan 0.000 0.431 1417 P HA 0.190 nan 4.420 nan 0.000 0.276 1417 P C -0.688 176.627 177.300 0.025 0.000 1.230 1417 P CA -0.315 62.774 63.100 -0.018 0.000 0.776 1417 P CB 1.182 32.887 31.700 0.007 0.000 0.888 1418 c N 3.596 122.184 118.600 -0.020 0.000 3.256 1418 c HA 0.832 5.402 4.570 -0.001 0.000 0.361 1418 c C -0.659 173.460 174.090 0.049 0.000 1.665 1418 c CA -0.287 56.107 56.329 0.109 0.000 1.445 1418 c CB 1.581 44.234 42.510 0.238 0.000 2.144 1418 c HN 0.690 nan 8.230 nan 0.000 0.448 1419 R N 0.544 121.093 120.500 0.082 0.000 2.753 1419 R HA 0.588 4.928 4.340 -0.001 0.000 0.272 1419 R C -2.261 174.001 176.300 -0.064 0.000 1.034 1419 R CA -0.480 55.610 56.100 -0.017 0.000 0.869 1419 R CB 0.874 31.156 30.300 -0.030 0.000 1.264 1419 R HN 0.707 nan 8.270 nan 0.000 0.481 1420 I N 3.203 123.679 120.570 -0.157 0.000 2.418 1420 I HA 0.402 4.571 4.170 -0.001 0.000 0.287 1420 I C -0.490 175.560 176.117 -0.111 0.000 1.008 1420 I CA -0.814 60.365 61.300 -0.201 0.000 1.104 1420 I CB 2.008 39.787 38.000 -0.368 0.000 1.264 1420 I HN 0.445 nan 8.210 nan 0.000 0.438 1421 K N 4.741 125.113 120.400 -0.047 0.000 2.221 1421 K HA 0.492 4.812 4.320 -0.001 0.000 0.243 1421 K C -0.271 176.347 176.600 0.030 0.000 0.968 1421 K CA -0.750 55.487 56.287 -0.084 0.000 0.846 1421 K CB 1.983 34.327 32.500 -0.259 0.000 1.141 1421 K HN 0.358 nan 8.250 nan 0.000 0.434 1422 Q N 0.253 120.066 119.800 0.021 0.000 2.442 1422 Q HA 0.267 4.606 4.340 -0.001 0.000 0.228 1422 Q C -0.013 176.045 176.000 0.098 0.000 0.902 1422 Q CA 0.589 56.452 55.803 0.100 0.000 0.933 1422 Q CB 0.509 29.289 28.738 0.069 0.000 1.071 1422 Q HN 0.469 nan 8.270 nan 0.000 0.562 1423 I N 2.550 123.129 120.570 0.014 0.000 2.315 1423 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 1423 I C -0.118 175.980 176.117 -0.033 0.000 1.006 1423 I CA -0.618 60.679 61.300 -0.006 0.000 1.265 1423 I CB 0.645 38.627 38.000 -0.029 0.000 1.387 1423 I HN 0.135 nan 8.210 nan 0.000 0.475 1424 I N 2.993 123.552 120.570 -0.019 0.000 3.352 1424 I HA 0.559 4.729 4.170 -0.001 0.000 0.316 1424 I C -1.187 174.938 176.117 0.012 0.000 1.214 1424 I CA -1.101 60.192 61.300 -0.012 0.000 0.934 1424 I CB 2.153 40.088 38.000 -0.107 0.000 1.310 1424 I HN 0.248 nan 8.210 nan 0.000 0.475 1425 N N 3.164 121.898 118.700 0.057 0.000 2.434 1425 N HA 0.442 5.181 4.740 -0.001 0.000 0.272 1425 N C -0.581 174.970 175.510 0.069 0.000 1.040 1425 N CA -0.326 52.759 53.050 0.059 0.000 0.956 1425 N CB 1.472 40.009 38.487 0.083 0.000 1.108 1425 N HN 0.594 nan 8.380 nan 0.000 0.481 1426 M N 1.228 120.856 119.600 0.046 0.000 2.207 1426 M HA 0.063 4.542 4.480 -0.001 0.000 0.311 1426 M C 1.417 177.768 176.300 0.084 0.000 1.127 1426 M CA 0.236 55.555 55.300 0.033 0.000 1.181 1426 M CB 0.821 33.392 32.600 -0.048 0.000 1.409 1426 M HN 0.703 nan 8.290 nan 0.000 0.461 1427 W N -0.217 121.099 121.300 0.027 0.000 2.871 1427 W HA 0.133 4.793 4.660 -0.001 0.000 0.267 1427 W C 0.909 177.426 176.519 -0.003 0.000 1.180 1427 W CA -0.027 57.316 57.345 -0.004 0.000 1.463 1427 W CB -0.366 29.068 29.460 -0.044 0.000 0.966 1427 W HN 0.557 nan 8.180 nan 0.000 0.605 1428 Q N 2.055 121.247 119.800 -1.014 0.000 2.224 1428 Q HA -0.064 4.275 4.340 -0.001 0.000 0.203 1428 Q C 0.257 176.087 176.000 -0.283 0.000 0.970 1428 Q CA 1.792 57.046 55.803 -0.915 0.000 0.865 1428 Q CB -0.006 28.097 28.738 -1.059 0.000 0.922 1428 Q HN 0.602 nan 8.270 nan 0.000 0.445 1429 E N -2.439 117.646 120.200 -0.193 0.000 2.423 1429 E HA 0.417 4.767 4.350 -0.001 0.000 0.280 1429 E C -1.266 175.311 176.600 -0.038 0.000 1.030 1429 E CA -0.926 55.430 56.400 -0.073 0.000 0.812 1429 E CB 1.107 30.759 29.700 -0.079 0.000 1.313 1429 E HN -0.239 nan 8.360 nan 0.000 0.456 1430 V N 1.011 120.919 119.914 -0.011 0.000 2.450 1430 V HA 0.551 4.670 4.120 -0.001 0.000 0.281 1430 V C 0.549 176.636 176.094 -0.011 0.000 1.019 1430 V CA 1.247 63.547 62.300 0.000 0.000 1.062 1430 V CB -0.246 31.580 31.823 0.006 0.000 0.979 1430 V HN 0.821 nan 8.190 nan 0.000 0.477 1431 G N 4.981 113.776 108.800 -0.008 0.000 2.355 1431 G HA2 0.354 4.313 3.960 -0.001 0.000 0.296 1431 G HA3 0.354 4.313 3.960 -0.001 0.000 0.296 1431 G C -1.569 173.325 174.900 -0.011 0.000 1.507 1431 G CA -1.004 44.087 45.100 -0.015 0.000 0.823 1431 G HN 0.393 nan 8.290 nan 0.000 0.569 1432 K N 0.125 120.514 120.400 -0.017 0.000 2.185 1432 K HA 0.749 5.069 4.320 -0.001 0.000 0.269 1432 K C -0.276 176.303 176.600 -0.036 0.000 0.987 1432 K CA -0.468 55.809 56.287 -0.017 0.000 0.865 1432 K CB 2.178 34.667 32.500 -0.019 0.000 1.090 1432 K HN 0.911 nan 8.250 nan 0.000 0.450 1433 A N 3.382 126.184 122.820 -0.030 0.000 2.401 1433 A HA 0.681 5.000 4.320 -0.001 0.000 0.310 1433 A C -1.029 176.507 177.584 -0.080 0.000 1.075 1433 A CA -0.827 51.155 52.037 -0.091 0.000 0.746 1433 A CB 1.610 20.566 19.000 -0.073 0.000 1.277 1433 A HN 0.798 nan 8.150 nan 0.000 0.425 1434 M N 2.473 121.965 119.600 -0.180 0.000 2.134 1434 M HA 0.593 5.073 4.480 -0.001 0.000 0.310 1434 M C -1.999 174.192 176.300 -0.181 0.000 0.966 1434 M CA -0.367 54.882 55.300 -0.085 0.000 0.922 1434 M CB 0.845 33.407 32.600 -0.064 0.000 1.537 1434 M HN 0.742 nan 8.290 nan 0.000 0.424 1435 Y N 2.020 122.333 120.300 0.022 0.000 2.519 1435 Y HA 0.713 5.263 4.550 -0.001 0.000 0.324 1435 Y C 0.604 176.536 175.900 0.055 0.000 1.214 1435 Y CA -0.575 57.572 58.100 0.078 0.000 1.260 1435 Y CB 1.283 39.858 38.460 0.193 0.000 1.311 1435 Y HN 0.738 nan 8.280 nan 0.000 0.505 1436 A N 2.276 125.218 122.820 0.202 0.000 2.407 1436 A HA 0.445 4.764 4.320 -0.001 0.000 0.248 1436 A C -2.486 175.162 177.584 0.106 0.000 1.082 1436 A CA -1.424 50.679 52.037 0.109 0.000 0.785 1436 A CB -0.544 18.504 19.000 0.080 0.000 1.020 1436 A HN 0.474 nan 8.150 nan 0.000 0.489 1437 P HA 0.207 nan 4.420 nan 0.000 0.269 1437 P C -2.444 174.873 177.300 0.028 0.000 1.217 1437 P CA -0.598 62.525 63.100 0.038 0.000 0.783 1437 P CB -0.263 31.448 31.700 0.019 0.000 0.898 1438 P HA 0.084 nan 4.420 nan 0.000 0.271 1438 P C 0.562 177.863 177.300 0.002 0.000 1.218 1438 P CA 0.124 63.222 63.100 -0.003 0.000 0.780 1438 P CB 0.269 31.952 31.700 -0.028 0.000 0.901 1439 I N -0.475 120.097 120.570 0.005 0.000 2.726 1439 I HA 0.184 4.353 4.170 -0.001 0.000 0.243 1439 I C 0.856 176.976 176.117 0.005 0.000 1.082 1439 I CA 0.081 61.385 61.300 0.005 0.000 1.447 1439 I CB -0.572 37.432 38.000 0.006 0.000 1.250 1439 I HN 0.063 nan 8.210 nan 0.000 0.453 1440 R N 2.202 122.706 120.500 0.007 0.000 2.705 1440 R HA -0.032 4.307 4.340 -0.001 0.000 0.264 1440 R C 1.255 177.562 176.300 0.010 0.000 0.988 1440 R CA 0.846 56.953 56.100 0.011 0.000 1.103 1440 R CB -0.134 30.176 30.300 0.017 0.000 0.950 1440 R HN 0.546 nan 8.270 nan 0.000 0.427 1441 G N 0.947 109.755 108.800 0.013 0.000 2.404 1441 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.213 1441 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.213 1441 G C 0.261 175.173 174.900 0.019 0.000 1.189 1441 G CA 0.228 45.336 45.100 0.013 0.000 0.796 1441 G HN 0.518 nan 8.290 nan 0.000 0.532 1442 Q N 0.395 120.212 119.800 0.029 0.000 2.348 1442 Q HA 0.407 4.747 4.340 -0.001 0.000 0.265 1442 Q C -1.134 174.902 176.000 0.060 0.000 0.998 1442 Q CA -0.641 55.189 55.803 0.044 0.000 0.831 1442 Q CB 1.172 29.938 28.738 0.046 0.000 1.251 1442 Q HN 0.068 nan 8.270 nan 0.000 0.456 1443 I N 5.086 125.702 120.570 0.077 0.000 2.282 1443 I HA 0.291 4.461 4.170 -0.001 0.000 0.290 1443 I C 0.605 176.860 176.117 0.230 0.000 1.090 1443 I CA 0.101 61.478 61.300 0.128 0.000 1.231 1443 I CB 0.250 38.306 38.000 0.094 0.000 1.434 1443 I HN 0.596 nan 8.210 nan 0.000 0.487 1444 R N 3.291 123.893 120.500 0.170 0.000 2.519 1444 R HA 0.685 5.025 4.340 -0.001 0.000 0.244 1444 R C -0.609 175.763 176.300 0.120 0.000 1.241 1444 R CA -0.378 55.812 56.100 0.150 0.000 1.120 1444 R CB 1.418 31.768 30.300 0.083 0.000 1.333 1444 R HN 0.601 nan 8.270 nan 0.000 0.587 1445 c N -0.144 118.474 118.600 0.029 0.000 3.259 1445 c HA 0.204 4.774 4.570 -0.001 0.000 0.451 1445 c C -1.021 173.034 174.090 -0.060 0.000 0.923 1445 c CA -0.486 55.812 56.329 -0.051 0.000 1.168 1445 c CB 0.844 43.222 42.510 -0.219 0.000 1.590 1445 c HN 0.780 nan 8.230 nan 0.000 0.644 1446 S N 3.893 119.564 115.700 -0.049 0.000 2.482 1446 S HA 0.973 5.442 4.470 -0.001 0.000 0.303 1446 S C -0.483 174.074 174.600 -0.071 0.000 1.091 1446 S CA -0.104 58.064 58.200 -0.053 0.000 1.057 1446 S CB 1.451 64.633 63.200 -0.029 0.000 1.031 1446 S HN 1.044 nan 8.310 nan 0.000 0.485 1447 S N 3.237 118.882 115.700 -0.092 0.000 2.570 1447 S HA 0.519 4.989 4.470 -0.001 0.000 0.270 1447 S C -1.585 172.966 174.600 -0.083 0.000 1.149 1447 S CA -1.011 57.130 58.200 -0.098 0.000 0.837 1447 S CB 1.399 64.498 63.200 -0.169 0.000 1.124 1447 S HN 0.748 nan 8.310 nan 0.000 0.465 1448 N N 1.579 120.244 118.700 -0.058 0.000 2.424 1448 N HA 0.442 5.182 4.740 -0.001 0.000 0.271 1448 N C -0.946 174.541 175.510 -0.038 0.000 0.985 1448 N CA -0.317 52.709 53.050 -0.039 0.000 0.921 1448 N CB 0.997 39.474 38.487 -0.015 0.000 1.149 1448 N HN 0.538 nan 8.380 nan 0.000 0.492 1449 I N 1.995 122.544 120.570 -0.035 0.000 2.406 1449 I HA -0.022 4.147 4.170 -0.001 0.000 0.293 1449 I C 1.759 177.884 176.117 0.014 0.000 1.101 1449 I CA 0.151 61.443 61.300 -0.014 0.000 1.334 1449 I CB 0.373 38.396 38.000 0.038 0.000 1.421 1449 I HN 0.564 nan 8.210 nan 0.000 0.513 1450 T N 1.300 115.863 114.554 0.015 0.000 3.015 1450 T HA 0.353 4.702 4.350 -0.001 0.000 0.250 1450 T C 0.700 175.409 174.700 0.015 0.000 1.057 1450 T CA 0.214 62.324 62.100 0.018 0.000 1.066 1450 T CB 0.573 69.462 68.868 0.035 0.000 0.959 1450 T HN 0.674 nan 8.240 nan 0.000 0.488 1451 G N 0.299 109.115 108.800 0.027 0.000 2.606 1451 G HA2 0.604 4.564 3.960 -0.001 0.000 0.300 1451 G HA3 0.604 4.564 3.960 -0.001 0.000 0.300 1451 G C -2.408 172.524 174.900 0.053 0.000 1.360 1451 G CA -0.954 44.161 45.100 0.024 0.000 0.783 1451 G HN 0.274 nan 8.290 nan 0.000 0.484 1452 L N -1.025 120.231 121.223 0.054 0.000 2.415 1452 L HA 0.661 5.000 4.340 -0.001 0.000 0.256 1452 L C -0.730 176.185 176.870 0.075 0.000 1.010 1452 L CA -0.497 54.400 54.840 0.095 0.000 0.826 1452 L CB 2.362 44.502 42.059 0.136 0.000 1.405 1452 L HN 0.435 nan 8.230 nan 0.000 0.410 1453 L N 2.943 124.209 121.223 0.072 0.000 2.318 1453 L HA 0.607 4.946 4.340 -0.001 0.000 0.277 1453 L C -1.081 175.820 176.870 0.051 0.000 1.008 1453 L CA -0.240 54.632 54.840 0.053 0.000 0.846 1453 L CB 1.145 43.220 42.059 0.027 0.000 1.220 1453 L HN 0.366 nan 8.230 nan 0.000 0.423 1454 L N 2.553 123.830 121.223 0.091 0.000 2.333 1454 L HA 0.728 5.067 4.340 -0.001 0.000 0.269 1454 L C 0.115 177.072 176.870 0.144 0.000 1.010 1454 L CA -0.541 54.383 54.840 0.142 0.000 0.818 1454 L CB 2.501 44.709 42.059 0.247 0.000 1.306 1454 L HN 0.531 nan 8.230 nan 0.000 0.430 1455 T N -1.201 113.439 114.554 0.143 0.000 2.887 1455 T HA 0.564 4.914 4.350 -0.001 0.000 0.288 1455 T C -0.604 174.151 174.700 0.092 0.000 1.021 1455 T CA -0.918 61.233 62.100 0.084 0.000 1.000 1455 T CB 2.234 71.110 68.868 0.013 0.000 1.034 1455 T HN 0.546 nan 8.240 nan 0.000 0.467 1456 R N 1.233 121.724 120.500 -0.015 0.000 2.343 1456 R HA 0.330 4.669 4.340 -0.001 0.000 0.320 1456 R C -1.182 174.952 176.300 -0.276 0.000 0.956 1456 R CA -0.616 55.313 56.100 -0.284 0.000 0.836 1456 R CB 0.527 30.592 30.300 -0.392 0.000 1.151 1456 R HN 0.601 nan 8.270 nan 0.000 0.450 1457 D N 4.023 124.243 120.400 -0.301 0.000 2.429 1457 D HA 0.093 4.733 4.640 -0.001 0.000 0.253 1457 D C 0.716 176.865 176.300 -0.253 0.000 1.294 1457 D CA 0.294 54.165 54.000 -0.214 0.000 1.063 1457 D CB 0.995 41.690 40.800 -0.176 0.000 1.096 1457 D HN 0.712 nan 8.370 nan 0.000 0.516 1458 G N 0.629 109.301 108.800 -0.215 0.000 3.086 1458 G HA2 0.536 4.495 3.960 -0.001 0.000 0.159 1458 G HA3 0.536 4.495 3.960 -0.001 0.000 0.159 1458 G C 0.405 175.218 174.900 -0.146 0.000 1.654 1458 G CA 0.038 45.013 45.100 -0.209 0.000 1.078 1458 G HN 0.750 nan 8.290 nan 0.000 0.558 1459 G N -1.282 107.450 108.800 -0.112 0.000 3.019 1459 G HA2 0.079 4.038 3.960 -0.001 0.000 0.686 1459 G HA3 0.079 4.038 3.960 -0.001 0.000 0.686 1459 G C -0.173 174.679 174.900 -0.079 0.000 1.056 1459 G CA 0.152 45.203 45.100 -0.083 0.000 0.774 1459 G HN 0.782 nan 8.290 nan 0.000 0.583 1460 K N 1.308 121.673 120.400 -0.059 0.000 1.948 1460 K HA 0.128 4.447 4.320 -0.001 0.000 0.231 1460 K C 0.906 177.476 176.600 -0.051 0.000 1.136 1460 K CA 0.949 57.206 56.287 -0.050 0.000 1.185 1460 K CB -0.060 32.419 32.500 -0.035 0.000 1.090 1460 K HN 0.508 nan 8.250 nan 0.000 0.302 1461 D N 1.247 121.609 120.400 -0.063 0.000 2.479 1461 D HA -0.055 4.584 4.640 -0.001 0.000 0.216 1461 D C -0.555 175.712 176.300 -0.056 0.000 1.110 1461 D CA 0.943 54.907 54.000 -0.060 0.000 0.841 1461 D CB 0.363 41.119 40.800 -0.074 0.000 1.040 1461 D HN 0.620 nan 8.370 nan 0.000 0.505 1462 T N -0.692 113.827 114.554 -0.058 0.000 3.558 1462 T HA -0.281 4.068 4.350 -0.001 0.000 0.391 1462 T C 0.747 175.418 174.700 -0.049 0.000 0.766 1462 T CA 1.136 63.207 62.100 -0.048 0.000 1.951 1462 T CB -2.782 66.066 68.868 -0.033 0.000 1.743 1462 T HN 0.282 nan 8.240 nan 0.000 0.688 1463 N N 0.915 119.576 118.700 -0.065 0.000 2.309 1463 N HA 0.196 4.935 4.740 -0.001 0.000 0.182 1463 N C 1.954 177.435 175.510 -0.049 0.000 1.018 1463 N CA 0.496 53.510 53.050 -0.060 0.000 0.876 1463 N CB -0.496 37.943 38.487 -0.079 0.000 0.972 1463 N HN 0.974 nan 8.380 nan 0.000 0.434 1464 G N 0.660 109.430 108.800 -0.050 0.000 2.179 1464 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 1464 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 1464 G C 0.209 175.090 174.900 -0.033 0.000 0.977 1464 G CA 0.882 45.964 45.100 -0.031 0.000 0.641 1464 G HN 0.501 nan 8.290 nan 0.000 0.533 1465 T N -1.910 112.608 114.554 -0.059 0.000 2.881 1465 T HA 0.683 5.033 4.350 -0.001 0.000 0.290 1465 T C -0.949 173.672 174.700 -0.131 0.000 1.000 1465 T CA -0.769 61.292 62.100 -0.065 0.000 0.978 1465 T CB 2.922 71.755 68.868 -0.058 0.000 0.997 1465 T HN 0.107 nan 8.240 nan 0.000 0.443 1466 E N 2.726 122.833 120.200 -0.156 0.000 2.191 1466 E HA 0.539 4.889 4.350 -0.001 0.000 0.274 1466 E C -0.428 175.934 176.600 -0.397 0.000 0.948 1466 E CA -0.704 55.475 56.400 -0.368 0.000 0.802 1466 E CB 2.414 31.827 29.700 -0.479 0.000 1.137 1466 E HN 0.693 nan 8.360 nan 0.000 0.397 1467 I N 2.542 122.788 120.570 -0.540 0.000 2.474 1467 I HA 0.382 4.552 4.170 -0.001 0.000 0.294 1467 I C -0.663 175.114 176.117 -0.566 0.000 1.005 1467 I CA -0.716 60.366 61.300 -0.363 0.000 1.113 1467 I CB 0.870 38.757 38.000 -0.189 0.000 1.289 1467 I HN 0.276 nan 8.210 nan 0.000 0.436 1468 F N 4.437 124.293 119.950 -0.157 0.000 2.546 1468 F HA 0.663 5.190 4.527 -0.001 0.000 0.320 1468 F C 0.133 175.979 175.800 0.077 0.000 1.076 1468 F CA -0.690 57.273 58.000 -0.061 0.000 0.928 1468 F CB 1.750 40.691 39.000 -0.098 0.000 1.189 1468 F HN 0.252 nan 8.300 nan 0.000 0.465 1469 R N 1.234 121.866 120.500 0.220 0.000 2.837 1469 R HA 0.523 4.863 4.340 -0.001 0.000 0.271 1469 R C -2.937 173.331 176.300 -0.053 0.000 0.993 1469 R CA -2.271 53.886 56.100 0.094 0.000 0.931 1469 R CB 1.743 32.065 30.300 0.037 0.000 1.206 1469 R HN 0.243 nan 8.270 nan 0.000 0.474 1470 P HA 0.051 nan 4.420 nan 0.000 0.266 1470 P C -0.449 176.756 177.300 -0.159 0.000 1.195 1470 P CA 0.177 62.999 63.100 -0.463 0.000 0.768 1470 P CB 0.809 32.081 31.700 -0.713 0.000 0.838 1471 G N 0.612 109.357 108.800 -0.090 0.000 3.212 1471 G HA2 0.754 4.713 3.960 -0.001 0.000 0.188 1471 G HA3 0.754 4.713 3.960 -0.001 0.000 0.188 1471 G C -0.233 174.656 174.900 -0.019 0.000 1.254 1471 G CA -0.577 44.504 45.100 -0.032 0.000 0.957 1471 G HN 0.804 nan 8.290 nan 0.000 0.596 1472 G N -3.176 105.615 108.800 -0.015 0.000 2.592 1472 G HA2 0.477 4.436 3.960 -0.001 0.000 0.684 1472 G HA3 0.477 4.436 3.960 -0.001 0.000 0.684 1472 G C 0.638 175.524 174.900 -0.024 0.000 1.291 1472 G CA 0.744 45.829 45.100 -0.025 0.000 0.891 1472 G HN 2.477 nan 8.290 nan 0.000 0.544 1473 G N -0.965 107.810 108.800 -0.041 0.000 3.465 1473 G HA2 0.052 4.011 3.960 -0.001 0.000 0.196 1473 G HA3 0.052 4.011 3.960 -0.001 0.000 0.196 1473 G C 0.025 174.910 174.900 -0.025 0.000 1.170 1473 G CA 1.030 46.121 45.100 -0.015 0.000 0.887 1473 G HN 1.487 nan 8.290 nan 0.000 0.444 1474 D N 1.937 122.300 120.400 -0.062 0.000 2.347 1474 D HA 0.434 5.074 4.640 -0.001 0.000 0.235 1474 D C 1.799 177.963 176.300 -0.227 0.000 1.149 1474 D CA -0.564 53.381 54.000 -0.092 0.000 0.850 1474 D CB 0.744 41.487 40.800 -0.094 0.000 1.061 1474 D HN 0.027 nan 8.370 nan 0.000 0.487 1475 M N 3.164 122.601 119.600 -0.271 0.000 2.629 1475 M HA -0.072 4.407 4.480 -0.001 0.000 0.257 1475 M C 1.615 177.202 176.300 -1.188 0.000 1.071 1475 M CA 0.794 55.647 55.300 -0.746 0.000 1.077 1475 M CB -0.575 31.598 32.600 -0.712 0.000 1.423 1475 M HN 0.376 nan 8.290 nan 0.000 0.508 1476 R N -0.127 119.969 120.500 -0.673 0.000 2.119 1476 R HA -0.083 4.257 4.340 -0.001 0.000 0.222 1476 R C 1.464 177.605 176.300 -0.264 0.000 1.088 1476 R CA 0.827 56.627 56.100 -0.500 0.000 0.984 1476 R CB -0.120 29.988 30.300 -0.320 0.000 0.884 1476 R HN 0.358 nan 8.270 nan 0.000 0.447 1477 D N 0.513 120.783 120.400 -0.215 0.000 2.178 1477 D HA -0.103 4.537 4.640 -0.001 0.000 0.202 1477 D C 1.404 177.657 176.300 -0.079 0.000 0.974 1477 D CA 0.860 54.825 54.000 -0.059 0.000 0.841 1477 D CB -0.193 40.600 40.800 -0.011 0.000 0.953 1477 D HN 0.233 nan 8.370 nan 0.000 0.478 1478 N N 0.047 118.587 118.700 -0.267 0.000 2.120 1478 N HA -0.135 4.605 4.740 -0.001 0.000 0.188 1478 N C 2.001 177.642 175.510 0.219 0.000 1.024 1478 N CA 0.843 53.786 53.050 -0.178 0.000 0.852 1478 N CB -0.220 37.917 38.487 -0.583 0.000 1.003 1478 N HN 0.450 nan 8.380 nan 0.000 0.424 1479 W N 1.500 122.841 121.300 0.068 0.000 2.381 1479 W HA 0.014 4.674 4.660 -0.001 0.000 0.301 1479 W C 2.577 179.149 176.519 0.088 0.000 1.205 1479 W CA -0.391 57.005 57.345 0.086 0.000 1.285 1479 W CB -0.196 29.323 29.460 0.097 0.000 1.133 1479 W HN 0.013 nan 8.180 nan 0.000 0.521 1480 R N 1.015 121.675 120.500 0.268 0.000 2.083 1480 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 1480 R C 2.414 178.824 176.300 0.183 0.000 1.137 1480 R CA 2.227 58.409 56.100 0.138 0.000 0.951 1480 R CB -1.008 29.279 30.300 -0.021 0.000 0.851 1480 R HN 0.140 nan 8.270 nan 0.000 0.434 1481 S N 0.505 116.303 115.700 0.164 0.000 2.462 1481 S HA -0.145 4.325 4.470 -0.001 0.000 0.243 1481 S C 1.381 176.198 174.600 0.362 0.000 1.003 1481 S CA 1.188 59.498 58.200 0.184 0.000 0.970 1481 S CB -0.065 63.210 63.200 0.125 0.000 0.762 1481 S HN 0.287 nan 8.310 nan 0.000 0.510 1482 E N 0.545 120.969 120.200 0.372 0.000 2.330 1482 E HA 0.311 4.660 4.350 -0.001 0.000 0.200 1482 E C 1.543 178.414 176.600 0.451 0.000 0.922 1482 E CA 0.271 56.929 56.400 0.429 0.000 0.935 1482 E CB 0.002 29.936 29.700 0.391 0.000 0.917 1482 E HN 0.521 nan 8.360 nan 0.000 0.491 1483 L N 1.371 122.809 121.223 0.360 0.000 2.667 1483 L HA 0.094 4.434 4.340 -0.001 0.000 0.232 1483 L C 2.002 179.017 176.870 0.241 0.000 1.138 1483 L CA -0.127 54.934 54.840 0.368 0.000 0.921 1483 L CB -0.290 41.901 42.059 0.221 0.000 1.180 1483 L HN 0.124 nan 8.230 nan 0.000 0.487 1484 Y N 1.382 121.756 120.300 0.124 0.000 2.241 1484 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 1484 Y C 2.137 178.091 175.900 0.090 0.000 1.166 1484 Y CA 1.465 59.566 58.100 0.002 0.000 1.203 1484 Y CB -0.673 37.721 38.460 -0.111 0.000 0.977 1484 Y HN 0.203 nan 8.280 nan 0.000 0.529 1485 K N -0.909 119.042 120.400 -0.749 0.000 2.404 1485 K HA 0.107 4.427 4.320 -0.001 0.000 0.194 1485 K C -0.907 175.424 176.600 -0.448 0.000 1.023 1485 K CA -0.165 55.737 56.287 -0.641 0.000 1.094 1485 K CB -0.305 31.578 32.500 -1.029 0.000 0.841 1485 K HN 0.337 nan 8.250 nan 0.000 0.523 1486 Y N 1.725 122.056 120.300 0.052 0.000 2.453 1486 Y HA 0.365 4.915 4.550 -0.001 0.000 0.326 1486 Y C -0.176 175.877 175.900 0.256 0.000 1.186 1486 Y CA -0.878 57.320 58.100 0.164 0.000 1.200 1486 Y CB 1.672 40.172 38.460 0.067 0.000 1.247 1486 Y HN -0.143 nan 8.280 nan 0.000 0.482 1487 K N 1.800 122.395 120.400 0.326 0.000 2.656 1487 K HA 0.434 4.754 4.320 -0.001 0.000 0.253 1487 K C -2.030 174.577 176.600 0.013 0.000 1.002 1487 K CA -0.590 55.716 56.287 0.031 0.000 0.880 1487 K CB 1.847 34.065 32.500 -0.470 0.000 1.232 1487 K HN 0.594 nan 8.250 nan 0.000 0.456 1488 V N 4.669 124.588 119.914 0.009 0.000 2.686 1488 V HA 0.535 4.654 4.120 -0.001 0.000 0.295 1488 V C -0.816 175.297 176.094 0.033 0.000 1.055 1488 V CA 0.036 62.348 62.300 0.019 0.000 1.050 1488 V CB 1.389 33.193 31.823 -0.031 0.000 0.984 1488 V HN 0.566 nan 8.190 nan 0.000 0.482 1489 V N 6.070 126.050 119.914 0.109 0.000 3.147 1489 V HA 0.534 4.654 4.120 -0.001 0.000 0.306 1489 V C -0.504 175.750 176.094 0.266 0.000 1.209 1489 V CA -1.098 61.281 62.300 0.131 0.000 1.023 1489 V CB 2.335 34.177 31.823 0.032 0.000 1.059 1489 V HN 1.066 nan 8.190 nan 0.000 0.435 1490 K N 4.223 124.736 120.400 0.189 0.000 2.249 1490 K HA 0.430 4.749 4.320 -0.001 0.000 0.280 1490 K C -0.387 176.138 176.600 -0.125 0.000 1.033 1490 K CA -0.646 55.603 56.287 -0.062 0.000 0.946 1490 K CB 0.749 33.220 32.500 -0.049 0.000 1.005 1490 K HN 0.588 nan 8.250 nan 0.000 0.469 1491 I N 4.365 124.796 120.570 -0.231 0.000 2.598 1491 I HA 0.038 4.207 4.170 -0.001 0.000 0.284 1491 I C 0.298 176.345 176.117 -0.116 0.000 1.140 1491 I CA 0.770 61.988 61.300 -0.137 0.000 1.420 1491 I CB 0.052 37.965 38.000 -0.145 0.000 1.387 1491 I HN 0.787 nan 8.210 nan 0.000 0.553 1492 E N 0.000 120.158 120.200 -0.070 0.000 2.725 1492 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1492 E CA 0.000 56.368 56.400 -0.054 0.000 0.976 1492 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 1492 E HN 0.000 nan 8.360 nan 0.000 0.440