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 2cml_1_B DATA FIRST_RESID 1088 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 1088 R HA 0.000 nan 4.340 nan 0.000 0.208 1088 R C 0.000 176.277 176.300 -0.039 0.000 0.893 1088 R CA 0.000 56.095 56.100 -0.009 0.000 0.921 1088 R CB 0.000 30.315 30.300 0.025 0.000 0.687 1089 T N -0.011 114.547 114.554 0.008 0.000 2.909 1089 T HA 0.566 4.916 4.350 0.001 0.000 0.299 1089 T C -1.242 173.504 174.700 0.077 0.000 1.073 1089 T CA -0.569 61.529 62.100 -0.005 0.000 0.999 1089 T CB 0.491 69.409 68.868 0.082 0.000 1.098 1089 T HN 0.089 nan 8.240 nan 0.000 0.477 1090 F N 3.198 123.234 119.950 0.142 0.000 2.571 1090 F HA 0.175 4.702 4.527 0.001 0.000 0.384 1090 F C 0.906 176.792 175.800 0.143 0.000 1.058 1090 F CA -0.743 57.341 58.000 0.140 0.000 1.200 1090 F CB 0.407 39.444 39.000 0.061 0.000 1.077 1090 F HN 0.326 nan 8.300 nan 0.000 0.558 1091 L N 6.040 127.521 121.223 0.430 0.000 2.660 1091 L HA -0.056 4.284 4.340 0.001 0.000 0.272 1091 L C -0.409 176.520 176.870 0.098 0.000 1.194 1091 L CA 0.269 55.241 54.840 0.221 0.000 0.945 1091 L CB -0.391 41.736 42.059 0.112 0.000 1.212 1091 L HN 0.410 nan 8.230 nan 0.000 0.490 1092 N N 5.586 124.347 118.700 0.101 0.000 2.426 1092 N HA 0.262 5.003 4.740 0.001 0.000 0.275 1092 N C 0.013 175.724 175.510 0.334 0.000 1.019 1092 N CA -0.347 52.771 53.050 0.114 0.000 0.941 1092 N CB 1.385 39.928 38.487 0.093 0.000 1.123 1092 N HN 0.623 nan 8.380 nan 0.000 0.486 1093 L N 1.600 123.182 121.223 0.598 0.000 2.930 1093 L HA 0.015 4.356 4.340 0.001 0.000 0.250 1093 L C 1.852 178.981 176.870 0.430 0.000 1.320 1093 L CA -0.000 55.098 54.840 0.431 0.000 1.163 1093 L CB -1.181 40.970 42.059 0.154 0.000 1.542 1093 L HN 0.649 nan 8.230 nan 0.000 0.428 1094 T N -3.077 111.678 114.554 0.335 0.000 2.746 1094 T HA -0.130 4.220 4.350 0.001 0.000 0.267 1094 T C 1.042 175.736 174.700 -0.011 0.000 1.039 1094 T CA 0.592 62.778 62.100 0.144 0.000 1.142 1094 T CB -0.064 68.863 68.868 0.098 0.000 0.866 1094 T HN 0.291 nan 8.240 nan 0.000 0.444 1095 K N 3.005 123.235 120.400 -0.282 0.000 2.258 1095 K HA 0.306 4.626 4.320 0.001 0.000 0.264 1095 K C -2.344 174.033 176.600 -0.371 0.000 1.007 1095 K CA -1.867 54.074 56.287 -0.577 0.000 0.941 1095 K CB 0.394 32.148 32.500 -1.243 0.000 0.966 1095 K HN 0.292 nan 8.250 nan 0.000 0.480 1096 P HA 0.139 nan 4.420 nan 0.000 0.282 1096 P C -0.445 176.845 177.300 -0.017 0.000 1.287 1096 P CA -0.507 62.565 63.100 -0.046 0.000 0.792 1096 P CB 0.672 32.357 31.700 -0.025 0.000 1.163 1097 L N 0.221 121.506 121.223 0.103 0.000 2.397 1097 L HA 0.160 4.500 4.340 0.001 0.000 0.271 1097 L C 0.465 177.345 176.870 0.016 0.000 1.148 1097 L CA -0.386 54.522 54.840 0.113 0.000 0.825 1097 L CB 0.595 42.756 42.059 0.170 0.000 1.117 1097 L HN 0.433 nan 8.230 nan 0.000 0.456 1098 c N 2.407 120.985 118.600 -0.036 0.000 2.644 1098 c HA 0.045 4.615 4.570 0.001 0.000 0.417 1098 c C 0.827 174.874 174.090 -0.073 0.000 1.304 1098 c CA -0.684 55.603 56.329 -0.070 0.000 2.035 1098 c CB 0.097 42.541 42.510 -0.110 0.000 2.673 1098 c HN 0.710 nan 8.230 nan 0.000 0.602 1099 E N 1.267 121.438 120.200 -0.050 0.000 2.529 1099 E HA 0.179 4.530 4.350 0.001 0.000 0.259 1099 E C -1.070 175.475 176.600 -0.092 0.000 0.966 1099 E CA 0.195 56.577 56.400 -0.031 0.000 0.937 1099 E CB 0.482 30.173 29.700 -0.015 0.000 0.923 1099 E HN 0.528 nan 8.360 nan 0.000 0.468 1100 V N 5.778 125.661 119.914 -0.051 0.000 2.487 1100 V HA 0.204 4.325 4.120 0.001 0.000 0.298 1100 V C 0.207 176.371 176.094 0.116 0.000 1.028 1100 V CA -0.757 61.409 62.300 -0.223 0.000 0.860 1100 V CB 1.631 33.040 31.823 -0.690 0.000 0.991 1100 V HN 0.745 nan 8.190 nan 0.000 0.427 1101 N N 1.832 120.513 118.700 -0.031 0.000 2.239 1101 N HA 0.151 4.892 4.740 0.001 0.000 0.208 1101 N C 0.365 175.976 175.510 0.168 0.000 1.200 1101 N CA 0.626 53.797 53.050 0.202 0.000 0.895 1101 N CB 1.369 39.914 38.487 0.096 0.000 1.085 1101 N HN 0.799 nan 8.380 nan 0.000 0.500 1102 S N -1.148 114.401 115.700 -0.252 0.000 2.661 1102 S HA 0.595 5.065 4.470 0.001 0.000 0.268 1102 S C -2.221 171.954 174.600 -0.709 0.000 1.162 1102 S CA -0.915 57.100 58.200 -0.308 0.000 0.817 1102 S CB 1.019 64.237 63.200 0.029 0.000 1.141 1102 S HN 0.121 nan 8.310 nan 0.000 0.477 1103 W N 1.382 122.614 121.300 -0.114 0.000 2.600 1103 W HA 0.632 5.293 4.660 0.001 0.000 0.325 1103 W C -0.031 176.498 176.519 0.016 0.000 1.034 1103 W CA -0.295 56.989 57.345 -0.102 0.000 1.226 1103 W CB 1.064 30.517 29.460 -0.011 0.000 1.379 1103 W HN 1.000 nan 8.180 nan 0.000 0.466 1104 H N 0.484 119.627 119.070 0.122 0.000 2.502 1104 H HA 0.630 5.187 4.556 0.001 0.000 0.338 1104 H C -0.517 174.821 175.328 0.017 0.000 1.155 1104 H CA -1.316 54.782 56.048 0.082 0.000 1.237 1104 H CB 1.117 30.885 29.762 0.011 0.000 1.534 1104 H HN 0.350 nan 8.280 nan 0.000 0.523 1105 I N 3.007 123.654 120.570 0.128 0.000 2.598 1105 I HA -0.048 4.123 4.170 0.001 0.000 0.284 1105 I C 0.296 176.395 176.117 -0.030 0.000 1.140 1105 I CA -0.099 61.088 61.300 -0.189 0.000 1.420 1105 I CB 0.034 37.784 38.000 -0.417 0.000 1.387 1105 I HN 0.805 nan 8.210 nan 0.000 0.553 1106 L N 6.049 127.155 121.223 -0.194 0.000 2.265 1106 L HA 0.403 4.744 4.340 0.001 0.000 0.195 1106 L C 0.588 177.408 176.870 -0.082 0.000 1.083 1106 L CA 1.042 55.842 54.840 -0.067 0.000 0.798 1106 L CB -0.142 41.879 42.059 -0.063 0.000 0.989 1106 L HN 0.651 nan 8.230 nan 0.000 0.472 1107 S N -0.997 114.608 115.700 -0.159 0.000 2.570 1107 S HA 0.554 5.024 4.470 0.001 0.000 0.270 1107 S C -1.427 173.070 174.600 -0.172 0.000 1.149 1107 S CA -0.789 57.335 58.200 -0.126 0.000 0.837 1107 S CB 1.080 64.233 63.200 -0.079 0.000 1.124 1107 S HN 0.177 nan 8.310 nan 0.000 0.465 1108 K N 1.628 121.970 120.400 -0.097 0.000 2.565 1108 K HA 0.285 4.606 4.320 0.001 0.000 0.251 1108 K C -0.670 175.946 176.600 0.026 0.000 0.956 1108 K CA -0.498 55.762 56.287 -0.046 0.000 0.809 1108 K CB 1.140 33.612 32.500 -0.046 0.000 1.267 1108 K HN 0.722 nan 8.250 nan 0.000 0.438 1109 D N 2.966 123.404 120.400 0.062 0.000 2.333 1109 D HA -0.081 4.559 4.640 0.001 0.000 0.208 1109 D C -0.245 176.100 176.300 0.074 0.000 0.984 1109 D CA 0.316 54.374 54.000 0.095 0.000 0.873 1109 D CB -0.025 40.883 40.800 0.181 0.000 0.935 1109 D HN 0.660 nan 8.370 nan 0.000 0.521 1110 N N 0.298 119.045 118.700 0.078 0.000 2.716 1110 N HA -0.230 4.511 4.740 0.001 0.000 0.250 1110 N C 0.948 176.493 175.510 0.059 0.000 1.033 1110 N CA 0.712 53.808 53.050 0.078 0.000 0.727 1110 N CB -1.141 37.392 38.487 0.077 0.000 0.950 1110 N HN 0.477 nan 8.380 nan 0.000 0.541 1111 A N 0.189 123.036 122.820 0.045 0.000 1.930 1111 A HA -0.097 4.224 4.320 0.001 0.000 0.217 1111 A C 2.204 179.784 177.584 -0.007 0.000 1.175 1111 A CA 0.996 53.027 52.037 -0.011 0.000 0.627 1111 A CB -0.001 18.976 19.000 -0.040 0.000 0.815 1111 A HN 0.364 nan 8.150 nan 0.000 0.443 1112 I N -0.676 119.921 120.570 0.045 0.000 2.277 1112 I HA -0.135 4.035 4.170 0.001 0.000 0.243 1112 I C 2.525 178.773 176.117 0.219 0.000 1.094 1112 I CA 1.106 62.456 61.300 0.083 0.000 1.393 1112 I CB -1.353 36.706 38.000 0.097 0.000 1.078 1112 I HN 0.333 nan 8.210 nan 0.000 0.417 1113 R N 0.911 121.528 120.500 0.196 0.000 2.096 1113 R HA -0.171 4.170 4.340 0.001 0.000 0.240 1113 R C 2.364 178.727 176.300 0.104 0.000 1.139 1113 R CA 1.589 57.801 56.100 0.187 0.000 0.952 1113 R CB -0.395 29.990 30.300 0.142 0.000 0.854 1113 R HN 0.307 nan 8.270 nan 0.000 0.436 1114 I N -0.326 120.277 120.570 0.055 0.000 2.202 1114 I HA -0.166 4.005 4.170 0.001 0.000 0.242 1114 I C 2.495 178.593 176.117 -0.032 0.000 1.091 1114 I CA 1.485 62.782 61.300 -0.004 0.000 1.368 1114 I CB -0.615 37.373 38.000 -0.021 0.000 1.058 1114 I HN 0.339 nan 8.210 nan 0.000 0.410 1115 G N 0.008 108.797 108.800 -0.019 0.000 2.498 1115 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 1115 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 1115 G C 1.533 176.445 174.900 0.020 0.000 1.119 1115 G CA 0.302 45.374 45.100 -0.045 0.000 0.766 1115 G HN 0.329 nan 8.290 nan 0.000 0.552 1116 E N 0.473 120.729 120.200 0.092 0.000 2.267 1116 E HA -0.144 4.207 4.350 0.001 0.000 0.197 1116 E C 1.496 177.990 176.600 -0.177 0.000 0.998 1116 E CA 1.519 57.855 56.400 -0.108 0.000 0.830 1116 E CB 0.102 29.635 29.700 -0.279 0.000 0.751 1116 E HN 0.482 nan 8.360 nan 0.000 0.491 1117 D N -1.437 118.876 120.400 -0.145 0.000 2.871 1117 D HA 0.221 4.862 4.640 0.001 0.000 0.291 1117 D C 0.257 176.396 176.300 -0.268 0.000 1.150 1117 D CA 0.741 54.631 54.000 -0.184 0.000 0.999 1117 D CB 0.220 40.924 40.800 -0.160 0.000 1.452 1117 D HN 0.138 nan 8.370 nan 0.000 0.465 1118 A N -0.309 122.370 122.820 -0.236 0.000 2.250 1118 A HA 0.457 4.778 4.320 0.001 0.000 0.283 1118 A C -0.720 176.643 177.584 -0.367 0.000 1.206 1118 A CA -0.125 51.737 52.037 -0.292 0.000 0.840 1118 A CB -0.070 18.845 19.000 -0.141 0.000 1.220 1118 A HN 0.406 nan 8.150 nan 0.000 0.505 1119 H N -0.103 118.937 119.070 -0.049 0.000 2.741 1119 H HA 0.367 4.923 4.556 0.001 0.000 0.261 1119 H C -0.716 174.471 175.328 -0.236 0.000 1.365 1119 H CA -0.295 55.680 56.048 -0.123 0.000 1.266 1119 H CB 0.135 29.839 29.762 -0.096 0.000 1.485 1119 H HN 0.261 nan 8.280 nan 0.000 0.529 1120 I N 3.553 124.039 120.570 -0.141 0.000 2.359 1120 I HA 0.111 4.282 4.170 0.001 0.000 0.294 1120 I C 0.375 176.348 176.117 -0.240 0.000 0.987 1120 I CA -0.635 60.531 61.300 -0.223 0.000 1.225 1120 I CB 1.359 39.235 38.000 -0.207 0.000 1.366 1120 I HN 0.474 nan 8.210 nan 0.000 0.466 1121 L N 5.871 126.916 121.223 -0.297 0.000 2.490 1121 L HA 0.107 4.448 4.340 0.001 0.000 0.274 1121 L C 0.213 176.944 176.870 -0.231 0.000 1.201 1121 L CA -0.259 54.425 54.840 -0.259 0.000 0.869 1121 L CB 0.517 42.404 42.059 -0.286 0.000 1.123 1121 L HN 0.248 nan 8.230 nan 0.000 0.484 1122 V N 2.981 122.787 119.914 -0.180 0.000 2.655 1122 V HA 0.197 4.317 4.120 0.001 0.000 0.300 1122 V C 0.667 176.706 176.094 -0.090 0.000 1.044 1122 V CA 0.267 62.480 62.300 -0.144 0.000 1.095 1122 V CB 0.908 32.675 31.823 -0.094 0.000 0.952 1122 V HN 1.024 nan 8.190 nan 0.000 0.485 1123 T N 3.594 118.113 114.554 -0.058 0.000 2.778 1123 T HA 0.812 5.163 4.350 0.001 0.000 0.293 1123 T C -0.692 174.020 174.700 0.020 0.000 1.144 1123 T CA -1.035 61.056 62.100 -0.014 0.000 1.010 1123 T CB 2.549 71.411 68.868 -0.010 0.000 1.325 1123 T HN 0.611 nan 8.240 nan 0.000 0.515 1124 R N -0.559 119.964 120.500 0.040 0.000 2.774 1124 R HA 0.389 4.729 4.340 0.001 0.000 0.279 1124 R C -1.430 174.901 176.300 0.052 0.000 1.022 1124 R CA -0.661 55.452 56.100 0.022 0.000 0.855 1124 R CB 1.234 31.520 30.300 -0.023 0.000 1.279 1124 R HN 0.944 nan 8.270 nan 0.000 0.485 1125 E N -0.487 119.726 120.200 0.023 0.000 2.358 1125 E HA -0.133 4.218 4.350 0.001 0.000 0.246 1125 E C -2.575 174.168 176.600 0.237 0.000 1.127 1125 E CA 0.605 57.099 56.400 0.156 0.000 0.726 1125 E CB -1.113 28.703 29.700 0.195 0.000 1.272 1125 E HN 0.295 nan 8.360 nan 0.000 0.390 1126 P HA 0.369 nan 4.420 nan 0.000 0.278 1126 P C -0.574 176.566 177.300 -0.266 0.000 1.266 1126 P CA -0.236 62.840 63.100 -0.041 0.000 0.807 1126 P CB 0.691 32.351 31.700 -0.066 0.000 1.094 1127 Y N -2.246 117.666 120.300 -0.647 0.000 2.788 1127 Y HA 0.616 5.167 4.550 0.001 0.000 0.335 1127 Y C -1.646 173.819 175.900 -0.726 0.000 1.287 1127 Y CA -1.383 56.027 58.100 -1.150 0.000 1.068 1127 Y CB 0.354 38.454 38.460 -0.600 0.000 1.340 1127 Y HN 0.068 nan 8.280 nan 0.000 0.449 1128 L N 1.560 122.437 121.223 -0.576 0.000 2.319 1128 L HA 0.791 5.132 4.340 0.001 0.000 0.267 1128 L C -0.500 176.154 176.870 -0.360 0.000 1.011 1128 L CA -0.961 53.494 54.840 -0.641 0.000 0.818 1128 L CB 1.867 43.153 42.059 -1.289 0.000 1.316 1128 L HN 0.818 nan 8.230 nan 0.000 0.432 1129 S N -0.017 115.588 115.700 -0.158 0.000 2.540 1129 S HA 0.624 5.095 4.470 0.001 0.000 0.275 1129 S C -0.868 173.812 174.600 0.134 0.000 1.123 1129 S CA -0.391 57.817 58.200 0.015 0.000 0.907 1129 S CB 1.382 64.497 63.200 -0.141 0.000 1.081 1129 S HN 0.669 nan 8.310 nan 0.000 0.476 1130 c N 2.847 121.605 118.600 0.264 0.000 2.401 1130 c HA 0.921 5.492 4.570 0.001 0.000 0.356 1130 c C -0.128 173.975 174.090 0.022 0.000 1.192 1130 c CA -0.497 55.967 56.329 0.224 0.000 2.028 1130 c CB 0.700 43.451 42.510 0.402 0.000 2.344 1130 c HN 1.030 nan 8.230 nan 0.000 0.525 1131 D N -0.807 119.351 120.400 -0.403 0.000 2.744 1131 D HA 0.435 5.076 4.640 0.001 0.000 0.304 1131 D C -2.647 172.936 176.300 -1.196 0.000 1.179 1131 D CA -1.137 52.081 54.000 -1.303 0.000 1.024 1131 D CB 0.095 40.162 40.800 -1.222 0.000 1.453 1131 D HN 0.080 nan 8.370 nan 0.000 0.529 1132 P HA -0.077 nan 4.420 nan 0.000 0.222 1132 P C 0.943 178.069 177.300 -0.291 0.000 1.147 1132 P CA 1.292 63.933 63.100 -0.766 0.000 0.790 1132 P CB 0.241 31.601 31.700 -0.567 0.000 0.780 1133 Q N -1.282 118.335 119.800 -0.304 0.000 2.204 1133 Q HA 0.326 4.666 4.340 0.001 0.000 0.198 1133 Q C 1.178 177.118 176.000 -0.101 0.000 0.946 1133 Q CA 1.048 56.754 55.803 -0.161 0.000 0.859 1133 Q CB 0.058 28.698 28.738 -0.165 0.000 0.946 1133 Q HN 0.206 nan 8.270 nan 0.000 0.474 1134 G N -2.158 106.570 108.800 -0.120 0.000 2.323 1134 G HA2 0.276 4.237 3.960 0.001 0.000 0.291 1134 G HA3 0.276 4.237 3.960 0.001 0.000 0.291 1134 G C -1.453 173.420 174.900 -0.046 0.000 1.278 1134 G CA -0.618 44.454 45.100 -0.047 0.000 0.860 1134 G HN 0.071 nan 8.290 nan 0.000 0.504 1135 c N -0.262 118.325 118.600 -0.022 0.000 2.397 1135 c HA 0.950 5.521 4.570 0.001 0.000 0.343 1135 c C 0.460 174.470 174.090 -0.133 0.000 1.188 1135 c CA -0.561 55.746 56.329 -0.036 0.000 1.992 1135 c CB 1.095 43.611 42.510 0.009 0.000 2.358 1135 c HN 0.765 nan 8.230 nan 0.000 0.518 1136 R N 0.921 121.313 120.500 -0.180 0.000 2.771 1136 R HA 0.646 4.986 4.340 0.001 0.000 0.274 1136 R C -1.095 174.890 176.300 -0.525 0.000 0.987 1136 R CA -0.599 55.282 56.100 -0.364 0.000 0.908 1136 R CB 1.586 31.647 30.300 -0.399 0.000 1.213 1136 R HN 0.642 nan 8.270 nan 0.000 0.468 1137 M N 1.742 120.749 119.600 -0.987 0.000 2.367 1137 M HA 0.460 4.941 4.480 0.001 0.000 0.339 1137 M C -1.127 174.212 176.300 -1.601 0.000 1.177 1137 M CA -0.169 54.353 55.300 -1.296 0.000 1.068 1137 M CB 0.939 32.508 32.600 -1.719 0.000 1.602 1137 M HN 0.332 nan 8.290 nan 0.000 0.457 1138 F N 0.654 119.801 119.950 -1.339 0.000 2.588 1138 F HA 0.875 5.403 4.527 0.001 0.000 0.314 1138 F C -0.045 175.348 175.800 -0.678 0.000 1.069 1138 F CA -0.667 56.700 58.000 -1.056 0.000 0.931 1138 F CB 2.061 40.188 39.000 -1.456 0.000 1.260 1138 F HN 0.643 nan 8.300 nan 0.000 0.465 1139 A N 1.207 124.018 122.820 -0.014 0.000 2.564 1139 A HA 0.760 5.081 4.320 0.001 0.000 0.291 1139 A C -2.219 175.445 177.584 0.133 0.000 1.102 1139 A CA -0.769 51.340 52.037 0.119 0.000 0.660 1139 A CB 1.161 20.328 19.000 0.280 0.000 1.283 1139 A HN 0.671 nan 8.150 nan 0.000 0.430 1140 L N 1.714 123.012 121.223 0.125 0.000 2.257 1140 L HA 0.495 4.836 4.340 0.001 0.000 0.290 1140 L C 0.812 177.719 176.870 0.062 0.000 1.044 1140 L CA -0.381 54.519 54.840 0.100 0.000 0.810 1140 L CB 1.565 43.698 42.059 0.124 0.000 1.193 1140 L HN 0.758 nan 8.230 nan 0.000 0.425 1141 S N 1.825 117.543 115.700 0.030 0.000 2.603 1141 S HA 0.135 4.606 4.470 0.001 0.000 0.268 1141 S C 0.676 175.289 174.600 0.022 0.000 1.317 1141 S CA -0.374 57.821 58.200 -0.008 0.000 1.012 1141 S CB 0.953 64.127 63.200 -0.044 0.000 0.926 1141 S HN 0.639 nan 8.310 nan 0.000 0.539 1142 Q N 1.401 121.209 119.800 0.013 0.000 2.247 1142 Q HA 0.190 4.530 4.340 0.001 0.000 0.204 1142 Q C 1.066 177.113 176.000 0.079 0.000 0.872 1142 Q CA 0.563 56.402 55.803 0.061 0.000 0.951 1142 Q CB 0.551 29.325 28.738 0.061 0.000 1.099 1142 Q HN 1.154 nan 8.270 nan 0.000 0.501 1143 G N 1.890 110.705 108.800 0.025 0.000 2.221 1143 G HA2 -0.249 3.711 3.960 0.001 0.000 0.265 1143 G HA3 -0.249 3.711 3.960 0.001 0.000 0.265 1143 G C 0.063 174.923 174.900 -0.066 0.000 1.041 1143 G CA 0.996 46.097 45.100 0.002 0.000 0.807 1143 G HN 0.348 nan 8.290 nan 0.000 0.502 1144 T N -1.145 113.367 114.554 -0.071 0.000 2.886 1144 T HA 0.669 5.020 4.350 0.001 0.000 0.330 1144 T C 0.362 175.006 174.700 -0.094 0.000 1.488 1144 T CA 0.892 62.947 62.100 -0.074 0.000 1.054 1144 T CB 1.147 70.016 68.868 0.001 0.000 1.348 1144 T HN 1.290 nan 8.240 nan 0.000 0.489 1145 T N 1.731 116.230 114.554 -0.091 0.000 2.816 1145 T HA 0.455 4.806 4.350 0.001 0.000 0.282 1145 T C 1.344 175.962 174.700 -0.136 0.000 0.993 1145 T CA -0.628 61.404 62.100 -0.114 0.000 0.994 1145 T CB 0.822 69.653 68.868 -0.061 0.000 1.025 1145 T HN 0.441 nan 8.240 nan 0.000 0.529 1146 L N 0.179 121.280 121.223 -0.204 0.000 2.109 1146 L HA 0.223 4.564 4.340 0.001 0.000 0.207 1146 L C 2.469 179.161 176.870 -0.296 0.000 1.086 1146 L CA 1.446 56.061 54.840 -0.374 0.000 0.760 1146 L CB -0.648 41.140 42.059 -0.453 0.000 0.910 1146 L HN 0.524 nan 8.230 nan 0.000 0.437 1147 R N 0.358 120.795 120.500 -0.104 0.000 2.299 1147 R HA 0.238 4.579 4.340 0.001 0.000 0.197 1147 R C 0.705 177.019 176.300 0.024 0.000 0.971 1147 R CA 0.491 56.590 56.100 -0.002 0.000 1.030 1147 R CB -0.885 29.422 30.300 0.013 0.000 0.932 1147 R HN 0.421 nan 8.270 nan 0.000 0.477 1148 G N -0.220 108.587 108.800 0.010 0.000 2.539 1148 G HA2 0.086 4.046 3.960 0.001 0.000 0.258 1148 G HA3 0.086 4.046 3.960 0.001 0.000 0.258 1148 G C 0.602 175.530 174.900 0.046 0.000 1.202 1148 G CA -0.503 44.625 45.100 0.046 0.000 0.851 1148 G HN 0.143 nan 8.290 nan 0.000 0.556 1149 R N -0.890 119.621 120.500 0.019 0.000 2.153 1149 R HA -0.014 4.326 4.340 0.001 0.000 0.218 1149 R C 1.874 178.119 176.300 -0.091 0.000 1.072 1149 R CA 0.778 56.850 56.100 -0.046 0.000 0.990 1149 R CB -0.103 30.123 30.300 -0.124 0.000 0.889 1149 R HN 0.744 nan 8.270 nan 0.000 0.452 1150 H N -0.348 118.720 119.070 -0.003 0.000 2.560 1150 H HA -0.005 4.551 4.556 0.001 0.000 0.283 1150 H C 1.696 177.037 175.328 0.021 0.000 1.028 1150 H CA 0.859 56.900 56.048 -0.012 0.000 1.221 1150 H CB 0.103 29.829 29.762 -0.060 0.000 1.363 1150 H HN 0.262 nan 8.280 nan 0.000 0.594 1151 A N 0.611 123.501 122.820 0.116 0.000 2.119 1151 A HA -0.109 4.212 4.320 0.001 0.000 0.216 1151 A C 1.243 178.949 177.584 0.202 0.000 1.152 1151 A CA 0.104 52.214 52.037 0.122 0.000 0.708 1151 A CB -0.225 18.792 19.000 0.027 0.000 0.805 1151 A HN 0.318 nan 8.150 nan 0.000 0.460 1152 N N 0.679 119.475 118.700 0.160 0.000 2.414 1152 N HA 0.271 5.011 4.740 0.001 0.000 0.268 1152 N C 0.947 176.524 175.510 0.111 0.000 1.286 1152 N CA 1.463 54.588 53.050 0.125 0.000 0.896 1152 N CB -0.097 38.429 38.487 0.065 0.000 1.093 1152 N HN 0.683 nan 8.380 nan 0.000 0.480 1153 G N 2.122 110.986 108.800 0.107 0.000 2.141 1153 G HA2 -0.277 3.683 3.960 0.001 0.000 0.231 1153 G HA3 -0.277 3.683 3.960 0.001 0.000 0.231 1153 G C 0.741 175.729 174.900 0.146 0.000 0.984 1153 G CA 0.563 45.726 45.100 0.105 0.000 0.660 1153 G HN 0.788 nan 8.290 nan 0.000 0.525 1154 T N -1.267 113.378 114.554 0.152 0.000 3.148 1154 T HA 0.293 4.644 4.350 0.001 0.000 0.253 1154 T C 2.171 176.940 174.700 0.116 0.000 1.134 1154 T CA 0.743 62.932 62.100 0.148 0.000 1.051 1154 T CB 0.145 69.103 68.868 0.150 0.000 0.959 1154 T HN 0.551 nan 8.240 nan 0.000 0.525 1155 I N 1.082 121.709 120.570 0.094 0.000 2.530 1155 I HA -0.132 4.038 4.170 0.001 0.000 0.257 1155 I C 1.018 177.188 176.117 0.088 0.000 1.179 1155 I CA 0.879 62.212 61.300 0.055 0.000 1.440 1155 I CB -0.186 37.822 38.000 0.013 0.000 1.087 1155 I HN 0.363 nan 8.210 nan 0.000 0.440 1156 H N 0.837 119.912 119.070 0.007 0.000 2.610 1156 H HA 0.072 4.628 4.556 0.001 0.000 0.336 1156 H C 0.723 176.040 175.328 -0.018 0.000 1.087 1156 H CA 0.001 56.042 56.048 -0.012 0.000 1.405 1156 H CB 0.743 30.506 29.762 0.002 0.000 1.460 1156 H HN 0.099 nan 8.280 nan 0.000 0.538 1157 D N 3.720 123.962 120.400 -0.263 0.000 2.183 1157 D HA 0.003 4.643 4.640 0.001 0.000 0.205 1157 D C -0.007 176.052 176.300 -0.403 0.000 0.962 1157 D CA 0.918 54.763 54.000 -0.258 0.000 0.849 1157 D CB 0.470 41.162 40.800 -0.180 0.000 0.978 1157 D HN 0.498 nan 8.370 nan 0.000 0.488 1158 R N 0.095 120.129 120.500 -0.778 0.000 2.502 1158 R HA 0.450 4.790 4.340 0.001 0.000 0.300 1158 R C -0.634 175.325 176.300 -0.569 0.000 0.984 1158 R CA -0.379 55.278 56.100 -0.740 0.000 0.882 1158 R CB 2.225 31.804 30.300 -1.203 0.000 1.180 1158 R HN -0.049 nan 8.270 nan 0.000 0.444 1159 S N 0.974 116.546 115.700 -0.213 0.000 2.625 1159 S HA 0.486 4.957 4.470 0.001 0.000 0.271 1159 S C -2.554 171.867 174.600 -0.298 0.000 1.161 1159 S CA -1.332 56.706 58.200 -0.270 0.000 0.820 1159 S CB 2.147 65.183 63.200 -0.274 0.000 1.137 1159 S HN 0.262 nan 8.310 nan 0.000 0.470 1160 P HA 0.273 nan 4.420 nan 0.000 0.247 1160 P C -0.048 176.994 177.300 -0.430 0.000 1.225 1160 P CA 0.432 63.220 63.100 -0.520 0.000 0.768 1160 P CB -0.470 30.942 31.700 -0.479 0.000 1.020 1161 F N -1.506 118.477 119.950 0.055 0.000 2.706 1161 F HA 0.248 4.775 4.527 0.001 0.000 0.308 1161 F C 1.307 177.112 175.800 0.008 0.000 1.095 1161 F CA -0.677 57.332 58.000 0.016 0.000 1.244 1161 F CB 0.168 39.171 39.000 0.006 0.000 1.063 1161 F HN -0.330 nan 8.300 nan 0.000 0.582 1162 R N 1.687 122.244 120.500 0.094 0.000 2.490 1162 R HA 0.741 5.081 4.340 0.001 0.000 0.278 1162 R C -0.434 175.878 176.300 0.020 0.000 1.069 1162 R CA -0.248 55.896 56.100 0.073 0.000 1.080 1162 R CB 1.230 31.596 30.300 0.108 0.000 1.030 1162 R HN 0.132 nan 8.270 nan 0.000 0.491 1163 A N 2.063 124.885 122.820 0.004 0.000 2.604 1163 A HA 0.339 4.659 4.320 0.001 0.000 0.295 1163 A C -1.506 176.063 177.584 -0.025 0.000 1.067 1163 A CA -0.810 51.202 52.037 -0.041 0.000 0.683 1163 A CB 1.368 20.329 19.000 -0.064 0.000 1.281 1163 A HN 0.578 nan 8.150 nan 0.000 0.407 1164 L N 2.677 123.876 121.223 -0.039 0.000 2.410 1164 L HA 0.633 4.973 4.340 0.001 0.000 0.273 1164 L C -0.231 176.618 176.870 -0.035 0.000 1.144 1164 L CA 0.259 55.103 54.840 0.006 0.000 0.863 1164 L CB -0.071 42.014 42.059 0.043 0.000 1.140 1164 L HN 0.561 nan 8.230 nan 0.000 0.463 1165 I N 2.200 122.770 120.570 0.000 0.000 2.603 1165 I HA 0.850 5.020 4.170 0.001 0.000 0.300 1165 I C -0.260 175.790 176.117 -0.112 0.000 1.017 1165 I CA -0.499 60.782 61.300 -0.032 0.000 1.098 1165 I CB 2.105 40.105 38.000 0.000 0.000 1.279 1165 I HN 0.662 nan 8.210 nan 0.000 0.437 1166 S N 3.081 118.606 115.700 -0.292 0.000 2.634 1166 S HA 0.907 5.378 4.470 0.001 0.000 0.296 1166 S C -1.316 173.151 174.600 -0.222 0.000 1.104 1166 S CA -0.629 57.112 58.200 -0.765 0.000 0.920 1166 S CB 1.584 63.852 63.200 -1.553 0.000 1.111 1166 S HN 1.102 nan 8.310 nan 0.000 0.493 1167 W N -0.635 120.349 121.300 -0.527 0.000 3.161 1167 W HA 0.567 5.227 4.660 0.001 0.000 0.314 1167 W C -1.190 175.161 176.519 -0.280 0.000 1.245 1167 W CA -0.799 56.351 57.345 -0.326 0.000 1.191 1167 W CB 0.309 29.617 29.460 -0.253 0.000 1.392 1167 W HN 0.844 nan 8.180 nan 0.000 0.568 1168 E N 3.668 123.859 120.200 -0.015 0.000 2.585 1168 E HA -0.065 4.285 4.350 0.001 0.000 0.252 1168 E C 0.468 177.000 176.600 -0.113 0.000 0.981 1168 E CA -0.117 56.236 56.400 -0.079 0.000 0.943 1168 E CB 0.463 30.159 29.700 -0.007 0.000 0.923 1168 E HN 0.643 nan 8.360 nan 0.000 0.486 1169 M N 4.943 124.418 119.600 -0.207 0.000 2.290 1169 M HA -0.046 4.435 4.480 0.001 0.000 0.356 1169 M C 0.965 177.225 176.300 -0.067 0.000 1.448 1169 M CA 1.847 57.021 55.300 -0.210 0.000 0.993 1169 M CB -0.060 32.430 32.600 -0.183 0.000 1.934 1169 M HN 0.865 nan 8.290 nan 0.000 0.461 1170 G N 2.898 111.684 108.800 -0.023 0.000 2.308 1170 G HA2 -0.223 3.737 3.960 0.001 0.000 0.221 1170 G HA3 -0.223 3.737 3.960 0.001 0.000 0.221 1170 G C 0.076 175.042 174.900 0.111 0.000 1.032 1170 G CA 0.101 45.224 45.100 0.039 0.000 0.623 1170 G HN 0.683 nan 8.290 nan 0.000 0.506 1171 Q N 0.875 120.776 119.800 0.169 0.000 2.492 1171 Q HA 0.561 4.901 4.340 0.001 0.000 0.238 1171 Q C 0.601 176.715 176.000 0.189 0.000 1.045 1171 Q CA 0.262 56.161 55.803 0.160 0.000 0.934 1171 Q CB 0.897 29.733 28.738 0.162 0.000 1.276 1171 Q HN 0.822 nan 8.270 nan 0.000 0.521 1172 A N 2.459 125.255 122.820 -0.040 0.000 2.304 1172 A HA 0.476 4.796 4.320 0.001 0.000 0.301 1172 A C -2.263 174.929 177.584 -0.654 0.000 1.132 1172 A CA -1.591 50.306 52.037 -0.234 0.000 0.819 1172 A CB 0.263 19.169 19.000 -0.156 0.000 1.094 1172 A HN 0.434 nan 8.150 nan 0.000 0.492 1173 P HA 0.176 nan 4.420 nan 0.000 0.279 1173 P C -0.305 176.583 177.300 -0.688 0.000 1.318 1173 P CA 0.235 62.553 63.100 -1.303 0.000 0.819 1173 P CB 0.773 31.450 31.700 -1.705 0.000 0.927 1174 S N 3.658 119.040 115.700 -0.530 0.000 2.689 1174 S HA 0.635 5.105 4.470 0.001 0.000 0.306 1174 S C -2.178 172.121 174.600 -0.503 0.000 1.104 1174 S CA -1.877 56.044 58.200 -0.466 0.000 0.973 1174 S CB 1.377 64.346 63.200 -0.385 0.000 1.121 1174 S HN 0.030 nan 8.310 nan 0.000 0.523 1175 P HA 0.108 nan 4.420 nan 0.000 0.239 1175 P C 0.023 177.105 177.300 -0.364 0.000 1.184 1175 P CA 0.849 63.634 63.100 -0.525 0.000 0.760 1175 P CB -0.358 31.009 31.700 -0.556 0.000 0.884 1176 Y N -0.795 119.445 120.300 -0.101 0.000 2.507 1176 Y HA 0.148 4.699 4.550 0.001 0.000 0.263 1176 Y C 1.641 177.494 175.900 -0.077 0.000 1.093 1176 Y CA -0.167 57.885 58.100 -0.079 0.000 1.285 1176 Y CB -0.167 38.257 38.460 -0.060 0.000 1.115 1176 Y HN 0.060 nan 8.280 nan 0.000 0.533 1177 N N -0.092 118.601 118.700 -0.012 0.000 2.241 1177 N HA 0.025 4.766 4.740 0.001 0.000 0.238 1177 N C -0.534 174.950 175.510 -0.043 0.000 1.244 1177 N CA 0.061 53.100 53.050 -0.018 0.000 0.880 1177 N CB -0.330 38.145 38.487 -0.019 0.000 1.179 1177 N HN 0.054 nan 8.380 nan 0.000 0.513 1178 T N -1.499 113.001 114.554 -0.090 0.000 2.829 1178 T HA 0.468 4.819 4.350 0.001 0.000 0.282 1178 T C -0.116 174.540 174.700 -0.074 0.000 0.990 1178 T CA -0.867 61.187 62.100 -0.076 0.000 1.028 1178 T CB 2.244 71.022 68.868 -0.151 0.000 0.951 1178 T HN 0.227 nan 8.240 nan 0.000 0.460 1179 R N 2.427 122.877 120.500 -0.083 0.000 2.229 1179 R HA 0.515 4.856 4.340 0.001 0.000 0.328 1179 R C -0.914 175.303 176.300 -0.139 0.000 1.009 1179 R CA -0.660 55.372 56.100 -0.113 0.000 0.864 1179 R CB 0.660 30.882 30.300 -0.130 0.000 1.085 1179 R HN 0.609 nan 8.270 nan 0.000 0.453 1180 V N 5.876 125.704 119.914 -0.143 0.000 2.439 1180 V HA 0.018 4.138 4.120 0.001 0.000 0.271 1180 V C 0.919 176.848 176.094 -0.276 0.000 1.040 1180 V CA 0.135 62.327 62.300 -0.181 0.000 1.002 1180 V CB 1.130 32.855 31.823 -0.163 0.000 1.000 1180 V HN 0.925 nan 8.190 nan 0.000 0.477 1181 E N 2.950 122.979 120.200 -0.284 0.000 2.122 1181 E HA 0.051 4.402 4.350 0.001 0.000 0.190 1181 E C 0.539 176.669 176.600 -0.784 0.000 0.977 1181 E CA 1.092 57.273 56.400 -0.364 0.000 0.820 1181 E CB 0.469 30.102 29.700 -0.113 0.000 0.770 1181 E HN 0.928 nan 8.360 nan 0.000 0.462 1182 c N -1.247 116.961 118.600 -0.653 0.000 3.165 1182 c HA 0.518 5.089 4.570 0.001 0.000 0.345 1182 c C -1.340 172.560 174.090 -0.316 0.000 1.367 1182 c CA -1.342 54.526 56.329 -0.769 0.000 1.205 1182 c CB 0.597 42.677 42.510 -0.718 0.000 1.447 1182 c HN 0.015 nan 8.230 nan 0.000 0.451 1183 I N 2.251 122.724 120.570 -0.162 0.000 2.362 1183 I HA 0.849 5.019 4.170 0.001 0.000 0.289 1183 I C 0.732 176.749 176.117 -0.166 0.000 0.994 1183 I CA 0.671 61.904 61.300 -0.111 0.000 1.158 1183 I CB 0.477 38.450 38.000 -0.045 0.000 1.315 1183 I HN 1.505 nan 8.210 nan 0.000 0.451 1184 G N 6.120 114.796 108.800 -0.206 0.000 2.323 1184 G HA2 0.222 4.183 3.960 0.001 0.000 0.291 1184 G HA3 0.222 4.183 3.960 0.001 0.000 0.291 1184 G C -1.189 173.563 174.900 -0.246 0.000 1.278 1184 G CA -0.519 44.326 45.100 -0.425 0.000 0.860 1184 G HN 0.602 nan 8.290 nan 0.000 0.504 1185 W N -0.222 121.061 121.300 -0.027 0.000 2.252 1185 W HA 0.625 5.285 4.660 0.001 0.000 0.338 1185 W C -0.103 176.417 176.519 0.003 0.000 0.914 1185 W CA 0.083 57.412 57.345 -0.027 0.000 1.754 1185 W CB 0.384 29.801 29.460 -0.072 0.000 1.135 1185 W HN 0.784 nan 8.180 nan 0.000 0.531 1186 S N 1.931 117.770 115.700 0.232 0.000 2.546 1186 S HA 0.628 5.098 4.470 0.001 0.000 0.272 1186 S C -0.670 173.967 174.600 0.062 0.000 1.140 1186 S CA -0.058 58.276 58.200 0.224 0.000 0.920 1186 S CB 1.798 65.181 63.200 0.305 0.000 1.083 1186 S HN 0.245 nan 8.310 nan 0.000 0.476 1187 S N 2.197 117.952 115.700 0.092 0.000 2.638 1187 S HA 0.869 5.339 4.470 0.001 0.000 0.274 1187 S C -0.727 173.871 174.600 -0.004 0.000 1.157 1187 S CA -0.521 57.712 58.200 0.055 0.000 0.826 1187 S CB 1.733 65.007 63.200 0.123 0.000 1.139 1187 S HN 0.852 nan 8.310 nan 0.000 0.474 1188 T N -0.065 114.468 114.554 -0.036 0.000 2.843 1188 T HA 0.787 5.137 4.350 0.001 0.000 0.302 1188 T C -1.571 173.082 174.700 -0.079 0.000 1.232 1188 T CA -0.320 61.694 62.100 -0.144 0.000 1.009 1188 T CB 1.701 70.487 68.868 -0.136 0.000 1.254 1188 T HN 1.034 nan 8.240 nan 0.000 0.504 1189 S N 0.120 115.734 115.700 -0.143 0.000 2.535 1189 S HA 0.729 5.200 4.470 0.001 0.000 0.272 1189 S C -1.363 173.173 174.600 -0.107 0.000 1.149 1189 S CA -0.461 57.659 58.200 -0.134 0.000 0.888 1189 S CB 0.214 63.214 63.200 -0.335 0.000 1.110 1189 S HN 1.268 nan 8.310 nan 0.000 0.463 1190 c N 2.440 121.038 118.600 -0.003 0.000 3.307 1190 c HA 0.669 5.240 4.570 0.001 0.000 0.333 1190 c C -1.165 173.043 174.090 0.196 0.000 1.291 1190 c CA -0.885 55.509 56.329 0.109 0.000 1.273 1190 c CB 1.061 43.642 42.510 0.117 0.000 1.580 1190 c HN 0.971 nan 8.230 nan 0.000 0.481 1191 H N 1.415 120.608 119.070 0.205 0.000 2.459 1191 H HA 0.339 4.895 4.556 0.001 0.000 0.332 1191 H C -0.081 175.464 175.328 0.361 0.000 1.094 1191 H CA 0.494 56.668 56.048 0.210 0.000 1.224 1191 H CB 1.978 31.764 29.762 0.039 0.000 1.449 1191 H HN 0.965 nan 8.280 nan 0.000 0.484 1192 D N 2.202 122.734 120.400 0.221 0.000 2.340 1192 D HA 0.106 4.746 4.640 0.001 0.000 0.220 1192 D C 1.446 178.112 176.300 0.610 0.000 1.039 1192 D CA 0.654 54.894 54.000 0.400 0.000 0.866 1192 D CB 0.419 41.431 40.800 0.354 0.000 0.913 1192 D HN 0.862 nan 8.370 nan 0.000 0.523 1193 G N -0.240 109.006 108.800 0.743 0.000 2.284 1193 G HA2 -0.296 3.664 3.960 0.001 0.000 0.216 1193 G HA3 -0.296 3.664 3.960 0.001 0.000 0.216 1193 G C 1.035 176.183 174.900 0.414 0.000 1.009 1193 G CA 0.359 45.899 45.100 0.732 0.000 0.625 1193 G HN 0.262 nan 8.290 nan 0.000 0.501 1194 M N -0.034 119.683 119.600 0.197 0.000 2.718 1194 M HA 0.341 4.822 4.480 0.001 0.000 0.259 1194 M C 0.716 176.928 176.300 -0.146 0.000 1.240 1194 M CA 1.277 56.590 55.300 0.022 0.000 1.210 1194 M CB 0.494 33.054 32.600 -0.067 0.000 1.281 1194 M HN 0.179 nan 8.290 nan 0.000 0.515 1195 S N -0.510 114.878 115.700 -0.520 0.000 2.607 1195 S HA 0.465 4.935 4.470 0.001 0.000 0.273 1195 S C -0.873 173.215 174.600 -0.852 0.000 1.148 1195 S CA -0.873 56.901 58.200 -0.711 0.000 0.833 1195 S CB 2.999 65.671 63.200 -0.881 0.000 1.130 1195 S HN 0.261 nan 8.310 nan 0.000 0.470 1196 R N 1.642 121.862 120.500 -0.465 0.000 2.221 1196 R HA 0.475 4.816 4.340 0.001 0.000 0.327 1196 R C -0.354 175.924 176.300 -0.038 0.000 1.033 1196 R CA -0.267 55.761 56.100 -0.119 0.000 0.887 1196 R CB 0.497 30.857 30.300 0.099 0.000 1.057 1196 R HN 0.751 nan 8.270 nan 0.000 0.455 1197 M N 3.642 123.311 119.600 0.115 0.000 2.180 1197 M HA 0.238 4.718 4.480 0.001 0.000 0.358 1197 M C -1.159 175.187 176.300 0.076 0.000 1.233 1197 M CA 0.322 55.722 55.300 0.166 0.000 1.114 1197 M CB 1.233 33.917 32.600 0.140 0.000 1.594 1197 M HN 0.580 nan 8.290 nan 0.000 0.467 1198 S N 5.909 121.667 115.700 0.097 0.000 2.557 1198 S HA 0.690 5.161 4.470 0.001 0.000 0.291 1198 S C -0.916 173.721 174.600 0.062 0.000 1.116 1198 S CA -0.688 57.543 58.200 0.052 0.000 0.992 1198 S CB 1.349 64.565 63.200 0.027 0.000 1.028 1198 S HN 0.711 nan 8.310 nan 0.000 0.484 1199 I N 2.090 122.661 120.570 0.002 0.000 2.466 1199 I HA 0.472 4.642 4.170 0.001 0.000 0.289 1199 I C -0.934 175.176 176.117 -0.011 0.000 1.026 1199 I CA -0.464 60.837 61.300 0.001 0.000 1.078 1199 I CB 1.664 39.609 38.000 -0.092 0.000 1.249 1199 I HN 0.495 nan 8.210 nan 0.000 0.429 1200 c N 6.277 124.872 118.600 -0.008 0.000 2.498 1200 c HA 0.670 5.241 4.570 0.001 0.000 0.316 1200 c C -0.032 173.943 174.090 -0.193 0.000 1.209 1200 c CA -0.626 55.639 56.329 -0.106 0.000 1.518 1200 c CB 1.469 43.902 42.510 -0.128 0.000 2.147 1200 c HN 0.593 nan 8.230 nan 0.000 0.483 1201 M N 3.013 122.390 119.600 -0.372 0.000 2.318 1201 M HA 0.634 5.115 4.480 0.001 0.000 0.347 1201 M C 0.388 175.954 176.300 -1.224 0.000 1.175 1201 M CA 0.421 55.345 55.300 -0.627 0.000 1.075 1201 M CB 1.453 33.689 32.600 -0.607 0.000 1.614 1201 M HN 0.872 nan 8.290 nan 0.000 0.456 1202 S N 0.354 115.460 115.700 -0.990 0.000 2.688 1202 S HA 1.012 5.482 4.470 0.001 0.000 0.275 1202 S C -0.290 174.180 174.600 -0.218 0.000 1.175 1202 S CA -0.223 57.410 58.200 -0.946 0.000 0.818 1202 S CB 1.439 64.349 63.200 -0.484 0.000 1.157 1202 S HN 1.667 nan 8.310 nan 0.000 0.482 1203 G N 0.332 109.211 108.800 0.132 0.000 2.462 1203 G HA2 0.215 4.175 3.960 0.001 0.000 0.685 1203 G HA3 0.215 4.175 3.960 0.001 0.000 0.685 1203 G C -3.442 171.646 174.900 0.314 0.000 1.295 1203 G CA -0.377 44.831 45.100 0.180 0.000 0.941 1203 G HN 0.818 nan 8.290 nan 0.000 0.554 1204 P HA 0.254 nan 4.420 nan 0.000 0.274 1204 P C 0.624 177.978 177.300 0.089 0.000 1.246 1204 P CA -0.421 62.739 63.100 0.100 0.000 0.795 1204 P CB 0.562 32.295 31.700 0.054 0.000 1.006 1205 N N 1.453 120.156 118.700 0.006 0.000 2.104 1205 N HA -0.172 4.568 4.740 0.001 0.000 0.190 1205 N C 1.164 176.670 175.510 -0.006 0.000 1.024 1205 N CA 1.536 54.566 53.050 -0.033 0.000 0.853 1205 N CB -1.023 37.420 38.487 -0.072 0.000 1.008 1205 N HN 0.575 nan 8.380 nan 0.000 0.424 1206 N N -0.236 118.464 118.700 -0.001 0.000 2.515 1206 N HA -0.020 4.720 4.740 0.001 0.000 0.191 1206 N C -0.243 175.270 175.510 0.005 0.000 1.182 1206 N CA 0.402 53.450 53.050 -0.003 0.000 0.879 1206 N CB -0.013 38.472 38.487 -0.002 0.000 0.984 1206 N HN 0.004 nan 8.380 nan 0.000 0.453 1207 N N -0.773 117.941 118.700 0.023 0.000 2.471 1207 N HA 0.176 4.917 4.740 0.001 0.000 0.253 1207 N C -1.024 174.511 175.510 0.043 0.000 1.451 1207 N CA -0.071 52.993 53.050 0.024 0.000 1.068 1207 N CB 0.634 39.136 38.487 0.026 0.000 1.396 1207 N HN 0.347 nan 8.380 nan 0.000 0.524 1208 A N 0.687 123.553 122.820 0.076 0.000 2.429 1208 A HA 0.581 4.901 4.320 0.001 0.000 0.242 1208 A C 0.570 178.141 177.584 -0.021 0.000 1.088 1208 A CA 0.337 52.433 52.037 0.098 0.000 0.784 1208 A CB 0.220 19.384 19.000 0.273 0.000 1.038 1208 A HN 0.362 nan 8.150 nan 0.000 0.501 1209 S N -0.830 114.822 115.700 -0.079 0.000 2.541 1209 S HA 0.740 5.211 4.470 0.001 0.000 0.271 1209 S C -0.526 174.003 174.600 -0.118 0.000 1.133 1209 S CA -0.183 57.970 58.200 -0.078 0.000 0.876 1209 S CB 1.431 64.608 63.200 -0.039 0.000 1.105 1209 S HN 1.950 nan 8.310 nan 0.000 0.470 1210 A N 1.482 124.264 122.820 -0.063 0.000 2.310 1210 A HA 0.755 5.076 4.320 0.001 0.000 0.299 1210 A C -0.503 177.080 177.584 -0.003 0.000 1.147 1210 A CA -0.721 51.293 52.037 -0.039 0.000 0.818 1210 A CB 0.515 19.530 19.000 0.026 0.000 1.096 1210 A HN 1.049 nan 8.150 nan 0.000 0.495 1211 V N 3.099 123.028 119.914 0.025 0.000 2.487 1211 V HA 0.397 4.517 4.120 0.001 0.000 0.298 1211 V C -0.398 175.760 176.094 0.108 0.000 1.028 1211 V CA -0.514 61.809 62.300 0.039 0.000 0.860 1211 V CB 1.620 33.490 31.823 0.079 0.000 0.991 1211 V HN 0.639 nan 8.190 nan 0.000 0.427 1212 V N 3.856 123.761 119.914 -0.014 0.000 2.370 1212 V HA 0.455 4.576 4.120 0.001 0.000 0.283 1212 V C -0.857 175.225 176.094 -0.020 0.000 1.023 1212 V CA -0.630 61.648 62.300 -0.037 0.000 0.857 1212 V CB 1.279 32.971 31.823 -0.218 0.000 0.985 1212 V HN 0.865 nan 8.190 nan 0.000 0.443 1213 W N 4.065 125.329 121.300 -0.060 0.000 2.520 1213 W HA 0.668 5.329 4.660 0.001 0.000 0.323 1213 W C -0.621 175.947 176.519 0.083 0.000 1.062 1213 W CA -0.637 56.712 57.345 0.007 0.000 1.215 1213 W CB 1.286 30.742 29.460 -0.007 0.000 1.340 1213 W HN 0.571 nan 8.180 nan 0.000 0.516 1214 Y N 0.866 121.249 120.300 0.138 0.000 2.421 1214 Y HA 0.467 5.018 4.550 0.001 0.000 0.339 1214 Y C 0.896 176.849 175.900 0.088 0.000 0.996 1214 Y CA -0.398 57.750 58.100 0.081 0.000 1.046 1214 Y CB 2.137 40.618 38.460 0.034 0.000 1.226 1214 Y HN 0.732 nan 8.280 nan 0.000 0.445 1215 G N 3.043 111.502 108.800 -0.569 0.000 2.296 1215 G HA2 -0.055 3.906 3.960 0.001 0.000 0.282 1215 G HA3 -0.055 3.906 3.960 0.001 0.000 0.282 1215 G C 0.990 175.843 174.900 -0.078 0.000 1.014 1215 G CA 1.001 45.869 45.100 -0.386 0.000 0.812 1215 G HN 2.168 nan 8.290 nan 0.000 0.508 1216 G N -2.156 106.678 108.800 0.056 0.000 2.157 1216 G HA2 -0.214 3.747 3.960 0.001 0.000 0.239 1216 G HA3 -0.214 3.747 3.960 0.001 0.000 0.239 1216 G C 0.252 175.361 174.900 0.348 0.000 0.982 1216 G CA 0.839 46.047 45.100 0.180 0.000 0.650 1216 G HN 1.023 nan 8.290 nan 0.000 0.527 1217 R N 0.601 121.260 120.500 0.265 0.000 2.740 1217 R HA 0.533 4.874 4.340 0.001 0.000 0.282 1217 R C -2.689 173.475 176.300 -0.228 0.000 0.969 1217 R CA -2.057 54.084 56.100 0.068 0.000 0.918 1217 R CB 2.431 32.741 30.300 0.018 0.000 1.175 1217 R HN 0.046 nan 8.270 nan 0.000 0.464 1218 P HA 0.071 nan 4.420 nan 0.000 0.276 1218 P C -0.059 176.991 177.300 -0.417 0.000 1.253 1218 P CA 0.050 62.554 63.100 -0.993 0.000 0.766 1218 P CB 0.833 31.846 31.700 -1.145 0.000 0.845 1219 I N 1.617 122.020 120.570 -0.279 0.000 3.300 1219 I HA 0.133 4.304 4.170 0.001 0.000 0.279 1219 I C 0.825 176.889 176.117 -0.087 0.000 1.172 1219 I CA 1.056 62.288 61.300 -0.115 0.000 1.431 1219 I CB -0.366 37.621 38.000 -0.021 0.000 1.240 1219 I HN 0.247 nan 8.210 nan 0.000 0.453 1220 T N 1.643 116.144 114.554 -0.088 0.000 2.956 1220 T HA 0.474 4.825 4.350 0.001 0.000 0.312 1220 T C -0.875 173.809 174.700 -0.027 0.000 1.151 1220 T CA -0.576 61.516 62.100 -0.014 0.000 1.024 1220 T CB 2.818 71.739 68.868 0.088 0.000 1.140 1220 T HN -0.094 nan 8.240 nan 0.000 0.473 1221 E N 1.452 121.651 120.200 -0.002 0.000 2.207 1221 E HA 0.729 5.079 4.350 0.001 0.000 0.270 1221 E C -0.773 175.864 176.600 0.063 0.000 0.927 1221 E CA -0.690 55.717 56.400 0.011 0.000 0.799 1221 E CB 1.820 31.513 29.700 -0.012 0.000 1.172 1221 E HN 0.469 nan 8.360 nan 0.000 0.404 1222 I N 2.900 123.518 120.570 0.080 0.000 2.468 1222 I HA 0.299 4.469 4.170 0.001 0.000 0.284 1222 I C -2.321 173.854 176.117 0.095 0.000 1.038 1222 I CA -2.441 58.940 61.300 0.135 0.000 1.083 1222 I CB 1.848 39.982 38.000 0.223 0.000 1.223 1222 I HN 0.279 nan 8.210 nan 0.000 0.443 1223 P HA -0.017 nan 4.420 nan 0.000 0.269 1223 P C -0.025 177.300 177.300 0.041 0.000 1.215 1223 P CA -0.086 63.053 63.100 0.064 0.000 0.780 1223 P CB 0.792 32.538 31.700 0.076 0.000 0.898 1224 S N 1.498 117.162 115.700 -0.059 0.000 2.537 1224 S HA 0.036 4.507 4.470 0.001 0.000 0.286 1224 S C 0.758 175.318 174.600 -0.067 0.000 1.299 1224 S CA -0.496 57.579 58.200 -0.209 0.000 1.067 1224 S CB -0.317 62.783 63.200 -0.167 0.000 0.864 1224 S HN 0.540 nan 8.310 nan 0.000 0.494 1225 W N 3.631 124.947 121.300 0.027 0.000 2.942 1225 W HA 0.551 5.212 4.660 0.001 0.000 0.263 1225 W C 1.068 177.596 176.519 0.015 0.000 1.296 1225 W CA 0.086 57.441 57.345 0.017 0.000 1.504 1225 W CB -0.312 29.155 29.460 0.012 0.000 1.096 1225 W HN 0.688 nan 8.180 nan 0.000 0.639 1226 A N 0.647 123.450 122.820 -0.028 0.000 2.603 1226 A HA 0.574 4.895 4.320 0.001 0.000 0.277 1226 A C 1.608 179.176 177.584 -0.027 0.000 1.158 1226 A CA 0.099 52.154 52.037 0.031 0.000 0.962 1226 A CB -0.698 18.351 19.000 0.082 0.000 1.189 1226 A HN 0.685 nan 8.150 nan 0.000 0.552 1227 G N 0.694 109.461 108.800 -0.055 0.000 2.422 1227 G HA2 -0.280 3.680 3.960 0.001 0.000 0.301 1227 G HA3 -0.280 3.680 3.960 0.001 0.000 0.301 1227 G C -0.025 174.846 174.900 -0.047 0.000 0.981 1227 G CA 0.727 45.801 45.100 -0.043 0.000 0.994 1227 G HN 0.631 nan 8.290 nan 0.000 0.514 1228 N N -0.177 118.476 118.700 -0.077 0.000 2.722 1228 N HA 0.290 5.030 4.740 0.001 0.000 0.242 1228 N C 0.613 176.081 175.510 -0.069 0.000 1.398 1228 N CA -0.381 52.632 53.050 -0.062 0.000 0.755 1228 N CB -0.297 38.161 38.487 -0.047 0.000 1.268 1228 N HN 0.692 nan 8.380 nan 0.000 0.522 1229 I N 0.468 121.009 120.570 -0.048 0.000 7.004 1229 I HA -0.326 3.844 4.170 0.001 0.000 0.126 1229 I C 0.003 176.134 176.117 0.024 0.000 1.826 1229 I CA -0.027 61.265 61.300 -0.013 0.000 2.066 1229 I CB -0.884 37.046 38.000 -0.117 0.000 3.565 1229 I HN 0.341 nan 8.210 nan 0.000 0.178 1230 L N 5.105 126.308 121.223 -0.034 0.000 2.678 1230 L HA 0.087 4.427 4.340 0.001 0.000 0.285 1230 L C 0.884 177.805 176.870 0.086 0.000 1.233 1230 L CA 1.259 56.011 54.840 -0.146 0.000 0.920 1230 L CB 0.087 41.964 42.059 -0.303 0.000 1.176 1230 L HN 0.566 nan 8.230 nan 0.000 0.495 1231 R N 2.401 122.924 120.500 0.039 0.000 2.716 1231 R HA 0.693 5.033 4.340 0.001 0.000 0.271 1231 R C -1.037 175.309 176.300 0.076 0.000 1.028 1231 R CA -0.575 55.608 56.100 0.138 0.000 0.883 1231 R CB 1.431 31.835 30.300 0.173 0.000 1.250 1231 R HN 0.530 nan 8.270 nan 0.000 0.465 1232 T N -1.393 113.211 114.554 0.084 0.000 2.565 1232 T HA 0.182 4.533 4.350 0.001 0.000 0.253 1232 T C 0.297 175.015 174.700 0.030 0.000 0.868 1232 T CA -0.278 61.852 62.100 0.049 0.000 1.213 1232 T CB 1.233 70.124 68.868 0.038 0.000 1.518 1232 T HN 0.633 nan 8.240 nan 0.000 0.474 1233 Q N 0.033 119.823 119.800 -0.017 0.000 2.083 1233 Q HA 0.001 4.342 4.340 0.001 0.000 0.198 1233 Q C -0.020 175.946 176.000 -0.057 0.000 0.969 1233 Q CA 1.278 57.047 55.803 -0.056 0.000 0.838 1233 Q CB 0.091 28.766 28.738 -0.105 0.000 0.900 1233 Q HN 0.606 nan 8.270 nan 0.000 0.436 1234 E N -0.448 119.708 120.200 -0.073 0.000 3.286 1234 E HA -0.175 4.176 4.350 0.001 0.000 0.292 1234 E C -0.264 176.181 176.600 -0.258 0.000 0.928 1234 E CA 1.259 57.645 56.400 -0.024 0.000 0.982 1234 E CB -2.049 27.784 29.700 0.222 0.000 1.500 1234 E HN 0.472 nan 8.360 nan 0.000 0.441 1235 S N -1.320 114.037 115.700 -0.573 0.000 2.776 1235 S HA 0.525 4.996 4.470 0.001 0.000 0.292 1235 S C -0.238 173.864 174.600 -0.829 0.000 1.187 1235 S CA -0.568 57.132 58.200 -0.834 0.000 0.834 1235 S CB 2.127 65.313 63.200 -0.024 0.000 1.199 1235 S HN 0.206 nan 8.310 nan 0.000 0.514 1236 E N 0.000 119.950 120.200 -0.418 0.000 2.383 1236 E HA 0.430 4.780 4.350 0.001 0.000 0.264 1236 E C 0.531 177.087 176.600 -0.074 0.000 1.050 1236 E CA -0.918 55.368 56.400 -0.190 0.000 0.896 1236 E CB 0.235 29.969 29.700 0.057 0.000 0.982 1236 E HN 0.823 nan 8.360 nan 0.000 0.424 1237 c N 1.627 120.195 118.600 -0.054 0.000 2.590 1237 c HA 0.783 5.353 4.570 0.001 0.000 0.354 1237 c C 0.119 174.233 174.090 0.040 0.000 1.622 1237 c CA -0.821 55.501 56.329 -0.011 0.000 2.050 1237 c CB -0.153 42.349 42.510 -0.012 0.000 1.960 1237 c HN 0.604 nan 8.230 nan 0.000 0.550 1238 V N -0.631 119.289 119.914 0.011 0.000 2.851 1238 V HA 0.524 4.644 4.120 0.001 0.000 0.307 1238 V C -0.505 175.564 176.094 -0.042 0.000 1.129 1238 V CA -0.246 62.029 62.300 -0.042 0.000 0.932 1238 V CB 1.069 32.846 31.823 -0.077 0.000 1.024 1238 V HN 1.199 nan 8.190 nan 0.000 0.426 1239 c N 3.039 121.601 118.600 -0.064 0.000 2.614 1239 c HA 0.765 5.336 4.570 0.001 0.000 0.320 1239 c C -0.411 173.689 174.090 0.017 0.000 1.200 1239 c CA -0.516 55.819 56.329 0.010 0.000 1.700 1239 c CB 1.291 43.850 42.510 0.081 0.000 2.275 1239 c HN 1.041 nan 8.230 nan 0.000 0.492 1240 H N 1.327 120.359 119.070 -0.064 0.000 2.934 1240 H HA 0.232 4.789 4.556 0.001 0.000 0.340 1240 H C -0.417 174.873 175.328 -0.063 0.000 1.008 1240 H CA -0.232 55.787 56.048 -0.049 0.000 1.317 1240 H CB 0.678 30.419 29.762 -0.035 0.000 1.670 1240 H HN 0.892 nan 8.280 nan 0.000 0.516 1241 K N 3.316 123.470 120.400 -0.411 0.000 3.016 1241 K HA -0.248 4.073 4.320 0.001 0.000 0.262 1241 K C 0.854 177.109 176.600 -0.575 0.000 1.043 1241 K CA 0.944 57.010 56.287 -0.368 0.000 0.761 1241 K CB -1.440 30.826 32.500 -0.391 0.000 1.230 1241 K HN 1.080 nan 8.250 nan 0.000 0.485 1242 G N -1.481 106.893 108.800 -0.711 0.000 2.195 1242 G HA2 -0.289 3.672 3.960 0.001 0.000 0.246 1242 G HA3 -0.289 3.672 3.960 0.001 0.000 0.246 1242 G C 0.095 174.757 174.900 -0.397 0.000 0.984 1242 G CA 0.026 44.507 45.100 -1.031 0.000 0.633 1242 G HN 0.232 nan 8.290 nan 0.000 0.525 1243 V N 1.172 120.967 119.914 -0.198 0.000 2.350 1243 V HA 0.501 4.621 4.120 0.001 0.000 0.276 1243 V C 0.415 176.539 176.094 0.049 0.000 1.028 1243 V CA -0.434 61.846 62.300 -0.032 0.000 0.860 1243 V CB 1.419 33.256 31.823 0.022 0.000 0.990 1243 V HN 0.434 nan 8.190 nan 0.000 0.453 1244 c N 7.629 126.283 118.600 0.090 0.000 2.294 1244 c HA 0.456 5.026 4.570 0.001 0.000 0.319 1244 c C -2.390 171.759 174.090 0.098 0.000 1.164 1244 c CA -1.622 54.768 56.329 0.101 0.000 1.497 1244 c CB 0.501 43.089 42.510 0.130 0.000 2.061 1244 c HN 0.605 nan 8.230 nan 0.000 0.438 1245 P HA 0.320 nan 4.420 nan 0.000 0.271 1245 P C -0.632 176.595 177.300 -0.122 0.000 1.216 1245 P CA 0.136 63.072 63.100 -0.272 0.000 0.776 1245 P CB 0.723 32.146 31.700 -0.460 0.000 0.881 1246 V N 4.033 123.885 119.914 -0.103 0.000 2.588 1246 V HA 0.283 4.403 4.120 0.001 0.000 0.304 1246 V C -0.011 176.040 176.094 -0.072 0.000 1.042 1246 V CA -0.784 61.517 62.300 0.002 0.000 0.877 1246 V CB 2.377 34.329 31.823 0.216 0.000 0.996 1246 V HN 0.207 nan 8.190 nan 0.000 0.425 1247 V N 5.992 125.863 119.914 -0.071 0.000 2.439 1247 V HA 0.578 4.699 4.120 0.001 0.000 0.282 1247 V C 0.042 176.145 176.094 0.014 0.000 1.039 1247 V CA -0.181 62.075 62.300 -0.072 0.000 0.913 1247 V CB 1.384 33.144 31.823 -0.105 0.000 0.983 1247 V HN 0.829 nan 8.190 nan 0.000 0.460 1248 M N 3.257 122.905 119.600 0.080 0.000 2.550 1248 M HA 0.624 5.105 4.480 0.001 0.000 0.292 1248 M C -0.910 175.534 176.300 0.240 0.000 1.221 1248 M CA -0.385 55.024 55.300 0.182 0.000 0.873 1248 M CB 3.012 35.834 32.600 0.370 0.000 1.727 1248 M HN 0.602 nan 8.290 nan 0.000 0.459 1249 T N 0.245 114.906 114.554 0.178 0.000 2.956 1249 T HA 0.465 4.815 4.350 0.001 0.000 0.312 1249 T C -1.837 172.866 174.700 0.004 0.000 1.151 1249 T CA -0.690 61.494 62.100 0.141 0.000 1.024 1249 T CB 2.179 71.049 68.868 0.004 0.000 1.140 1249 T HN 0.581 nan 8.240 nan 0.000 0.473 1250 D N 0.375 120.777 120.400 0.002 0.000 2.936 1250 D HA 0.666 5.306 4.640 0.001 0.000 0.238 1250 D C -0.087 176.194 176.300 -0.032 0.000 1.248 1250 D CA 0.435 54.316 54.000 -0.198 0.000 0.903 1250 D CB 1.737 42.087 40.800 -0.751 0.000 1.544 1250 D HN 1.039 nan 8.370 nan 0.000 0.543 1251 G N 2.630 111.407 108.800 -0.038 0.000 2.361 1251 G HA2 0.092 4.052 3.960 0.001 0.000 0.331 1251 G HA3 0.092 4.052 3.960 0.001 0.000 0.331 1251 G C -2.982 171.918 174.900 0.001 0.000 1.324 1251 G CA -1.015 44.081 45.100 -0.006 0.000 0.984 1251 G HN 0.370 nan 8.290 nan 0.000 0.586 1252 P HA 0.320 nan 4.420 nan 0.000 0.266 1252 P C 0.857 178.183 177.300 0.044 0.000 1.186 1252 P CA 1.030 64.109 63.100 -0.035 0.000 0.767 1252 P CB 0.834 32.459 31.700 -0.126 0.000 0.820 1253 A N 3.193 126.022 122.820 0.016 0.000 2.021 1253 A HA -0.075 4.246 4.320 0.001 0.000 0.216 1253 A C 1.115 178.628 177.584 -0.118 0.000 1.163 1253 A CA 1.010 53.077 52.037 0.049 0.000 0.676 1253 A CB -0.673 18.352 19.000 0.043 0.000 0.818 1253 A HN 0.672 nan 8.150 nan 0.000 0.453 1254 N N -0.352 118.256 118.700 -0.153 0.000 2.401 1254 N HA 0.173 4.913 4.740 0.001 0.000 0.264 1254 N C -0.657 174.608 175.510 -0.409 0.000 1.238 1254 N CA -0.302 52.657 53.050 -0.152 0.000 0.889 1254 N CB -0.138 38.327 38.487 -0.037 0.000 1.196 1254 N HN 0.237 nan 8.380 nan 0.000 0.511 1255 N N 0.256 118.476 118.700 -0.800 0.000 3.227 1255 N HA 0.191 4.931 4.740 0.001 0.000 0.241 1255 N C -1.344 173.408 175.510 -1.265 0.000 1.480 1255 N CA -0.588 51.642 53.050 -1.367 0.000 0.886 1255 N CB 1.799 39.913 38.487 -0.623 0.000 1.406 1255 N HN 0.132 nan 8.380 nan 0.000 0.514 1256 R N 0.818 120.419 120.500 -1.497 0.000 2.478 1256 R HA 0.291 4.631 4.340 0.001 0.000 0.281 1256 R C -0.630 175.557 176.300 -0.188 0.000 0.939 1256 R CA 0.863 56.609 56.100 -0.589 0.000 1.120 1256 R CB -0.454 29.633 30.300 -0.354 0.000 0.885 1256 R HN 0.530 nan 8.270 nan 0.000 0.415 1257 A N 3.132 125.953 122.820 0.000 0.000 2.483 1257 A HA 0.830 5.150 4.320 0.001 0.000 0.286 1257 A C -1.295 176.324 177.584 0.059 0.000 1.207 1257 A CA -0.390 51.663 52.037 0.026 0.000 0.764 1257 A CB 1.625 20.639 19.000 0.024 0.000 1.341 1257 A HN 0.862 nan 8.150 nan 0.000 0.428 1258 A N 0.702 123.598 122.820 0.128 0.000 2.394 1258 A HA 0.631 4.951 4.320 0.001 0.000 0.333 1258 A C -0.169 177.594 177.584 0.298 0.000 1.397 1258 A CA -0.249 51.917 52.037 0.214 0.000 0.884 1258 A CB -0.312 18.897 19.000 0.349 0.000 1.147 1258 A HN 0.683 nan 8.150 nan 0.000 0.505 1259 T N 2.766 117.398 114.554 0.129 0.000 2.837 1259 T HA 0.444 4.795 4.350 0.001 0.000 0.285 1259 T C -0.140 174.544 174.700 -0.026 0.000 0.984 1259 T CA -0.190 61.963 62.100 0.088 0.000 1.049 1259 T CB 0.851 69.717 68.868 -0.004 0.000 0.947 1259 T HN 0.591 nan 8.240 nan 0.000 0.472 1260 K N 2.401 122.775 120.400 -0.044 0.000 2.378 1260 K HA 0.503 4.824 4.320 0.001 0.000 0.252 1260 K C -0.858 175.632 176.600 -0.183 0.000 0.931 1260 K CA -1.011 55.154 56.287 -0.204 0.000 0.794 1260 K CB 1.831 34.050 32.500 -0.470 0.000 1.181 1260 K HN 0.348 nan 8.250 nan 0.000 0.425 1261 I N 4.206 124.623 120.570 -0.255 0.000 2.325 1261 I HA 0.313 4.483 4.170 0.001 0.000 0.291 1261 I C 0.182 176.092 176.117 -0.345 0.000 1.019 1261 I CA -0.510 60.576 61.300 -0.356 0.000 1.302 1261 I CB 0.085 37.795 38.000 -0.483 0.000 1.401 1261 I HN 0.477 nan 8.210 nan 0.000 0.485 1262 I N 6.856 127.195 120.570 -0.386 0.000 2.354 1262 I HA 0.280 4.450 4.170 0.001 0.000 0.292 1262 I C -0.887 174.825 176.117 -0.674 0.000 0.989 1262 I CA -0.805 60.221 61.300 -0.457 0.000 1.188 1262 I CB 1.011 38.767 38.000 -0.406 0.000 1.342 1262 I HN 0.320 nan 8.210 nan 0.000 0.457 1263 Y N 5.866 125.885 120.300 -0.468 0.000 2.353 1263 Y HA 0.468 5.018 4.550 0.001 0.000 0.340 1263 Y C -0.399 175.219 175.900 -0.470 0.000 0.972 1263 Y CA -0.432 57.472 58.100 -0.328 0.000 1.157 1263 Y CB 0.741 39.083 38.460 -0.196 0.000 1.157 1263 Y HN 0.332 nan 8.280 nan 0.000 0.495 1264 F N 2.615 122.583 119.950 0.031 0.000 2.480 1264 F HA 0.540 5.068 4.527 0.001 0.000 0.329 1264 F C -0.062 175.697 175.800 -0.069 0.000 1.091 1264 F CA -1.056 56.929 58.000 -0.025 0.000 0.972 1264 F CB 1.892 40.873 39.000 -0.032 0.000 1.150 1264 F HN 0.218 nan 8.300 nan 0.000 0.467 1265 K N 2.588 123.022 120.400 0.056 0.000 2.613 1265 K HA 0.279 4.599 4.320 0.001 0.000 0.248 1265 K C -0.647 175.822 176.600 -0.219 0.000 0.959 1265 K CA -0.361 55.864 56.287 -0.103 0.000 0.855 1265 K CB 0.783 33.202 32.500 -0.135 0.000 1.143 1265 K HN 0.776 nan 8.250 nan 0.000 0.437 1266 E N 2.593 122.490 120.200 -0.505 0.000 2.476 1266 E HA -0.264 4.087 4.350 0.001 0.000 0.251 1266 E C 0.453 176.585 176.600 -0.780 0.000 1.130 1266 E CA 0.636 56.295 56.400 -1.234 0.000 0.736 1266 E CB -1.605 27.693 29.700 -0.669 0.000 1.298 1266 E HN 1.173 nan 8.360 nan 0.000 0.400 1267 G N -0.058 108.531 108.800 -0.353 0.000 2.162 1267 G HA2 -0.363 3.597 3.960 0.001 0.000 0.260 1267 G HA3 -0.363 3.597 3.960 0.001 0.000 0.260 1267 G C 0.099 175.068 174.900 0.114 0.000 0.976 1267 G CA 0.851 45.912 45.100 -0.064 0.000 0.655 1267 G HN 0.252 nan 8.290 nan 0.000 0.533 1268 K N -0.045 120.425 120.400 0.116 0.000 2.221 1268 K HA 0.602 4.923 4.320 0.001 0.000 0.258 1268 K C 0.315 176.986 176.600 0.120 0.000 0.944 1268 K CA -1.022 55.331 56.287 0.110 0.000 0.823 1268 K CB 1.947 34.452 32.500 0.007 0.000 1.113 1268 K HN 0.180 nan 8.250 nan 0.000 0.431 1269 I N 3.736 124.333 120.570 0.045 0.000 2.587 1269 I HA -0.120 4.051 4.170 0.001 0.000 0.284 1269 I C 1.421 177.469 176.117 -0.114 0.000 1.134 1269 I CA 0.192 61.400 61.300 -0.154 0.000 1.410 1269 I CB 0.573 38.492 38.000 -0.135 0.000 1.392 1269 I HN 0.485 nan 8.210 nan 0.000 0.545 1270 Q N 5.270 124.989 119.800 -0.136 0.000 2.297 1270 Q HA 0.203 4.544 4.340 0.001 0.000 0.203 1270 Q C 0.329 176.266 176.000 -0.105 0.000 0.931 1270 Q CA 0.734 56.479 55.803 -0.096 0.000 0.885 1270 Q CB 0.518 29.207 28.738 -0.082 0.000 0.991 1270 Q HN 0.581 nan 8.270 nan 0.000 0.498 1271 K N -0.178 120.164 120.400 -0.096 0.000 2.598 1271 K HA 0.459 4.780 4.320 0.001 0.000 0.271 1271 K C -1.774 174.823 176.600 -0.005 0.000 0.947 1271 K CA -0.313 55.929 56.287 -0.074 0.000 0.854 1271 K CB 1.532 33.925 32.500 -0.178 0.000 1.401 1271 K HN -0.083 nan 8.250 nan 0.000 0.415 1272 I N 2.763 123.308 120.570 -0.042 0.000 2.466 1272 I HA 0.332 4.502 4.170 0.001 0.000 0.289 1272 I C -0.640 175.455 176.117 -0.036 0.000 1.026 1272 I CA -0.695 60.560 61.300 -0.075 0.000 1.078 1272 I CB 2.079 39.979 38.000 -0.167 0.000 1.249 1272 I HN 0.529 nan 8.210 nan 0.000 0.429 1273 E N 4.865 125.074 120.200 0.014 0.000 2.227 1273 E HA 0.411 4.762 4.350 0.001 0.000 0.268 1273 E C -1.024 175.547 176.600 -0.048 0.000 0.907 1273 E CA -0.859 55.561 56.400 0.033 0.000 0.786 1273 E CB 2.353 32.177 29.700 0.207 0.000 1.191 1273 E HN 0.492 nan 8.360 nan 0.000 0.411 1274 E N 1.220 121.403 120.200 -0.027 0.000 2.343 1274 E HA 0.129 4.479 4.350 0.001 0.000 0.269 1274 E C -0.540 176.109 176.600 0.080 0.000 1.047 1274 E CA -0.639 55.734 56.400 -0.045 0.000 0.874 1274 E CB 0.937 30.611 29.700 -0.044 0.000 1.033 1274 E HN 0.188 nan 8.360 nan 0.000 0.409 1275 L N 2.442 123.686 121.223 0.035 0.000 2.499 1275 L HA 0.203 4.544 4.340 0.001 0.000 0.273 1275 L C -0.702 176.289 176.870 0.201 0.000 1.195 1275 L CA 0.687 55.604 54.840 0.128 0.000 0.882 1275 L CB 0.168 42.246 42.059 0.031 0.000 1.133 1275 L HN 0.576 nan 8.230 nan 0.000 0.483 1276 A N 3.359 126.380 122.820 0.334 0.000 2.469 1276 A HA 0.951 5.272 4.320 0.001 0.000 0.299 1276 A C 0.080 177.699 177.584 0.058 0.000 1.098 1276 A CA 0.068 52.155 52.037 0.085 0.000 0.737 1276 A CB 1.216 20.172 19.000 -0.073 0.000 1.312 1276 A HN 1.729 nan 8.150 nan 0.000 0.414 1277 G N 0.407 109.222 108.800 0.023 0.000 2.396 1277 G HA2 -0.083 3.877 3.960 0.001 0.000 0.254 1277 G HA3 -0.083 3.877 3.960 0.001 0.000 0.254 1277 G C -0.113 174.822 174.900 0.060 0.000 1.248 1277 G CA 0.083 45.200 45.100 0.027 0.000 1.033 1277 G HN 0.796 nan 8.290 nan 0.000 0.502 1278 N N 0.763 119.505 118.700 0.069 0.000 2.299 1278 N HA 0.332 5.072 4.740 0.001 0.000 0.187 1278 N C 1.152 176.775 175.510 0.187 0.000 1.099 1278 N CA 0.832 53.960 53.050 0.130 0.000 0.867 1278 N CB 0.524 39.103 38.487 0.153 0.000 0.974 1278 N HN 1.087 nan 8.380 nan 0.000 0.477 1279 A N 1.060 123.882 122.820 0.003 0.000 2.524 1279 A HA 0.032 4.353 4.320 0.001 0.000 0.250 1279 A C 1.125 178.787 177.584 0.130 0.000 1.078 1279 A CA 0.135 52.073 52.037 -0.166 0.000 0.761 1279 A CB 0.311 19.145 19.000 -0.276 0.000 1.012 1279 A HN 0.225 nan 8.150 nan 0.000 0.500 1280 Q N 0.255 120.249 119.800 0.323 0.000 2.376 1280 Q HA 0.049 4.389 4.340 0.001 0.000 0.206 1280 Q C -0.157 176.168 176.000 0.542 0.000 0.921 1280 Q CA 0.792 56.845 55.803 0.416 0.000 0.911 1280 Q CB 0.316 29.270 28.738 0.361 0.000 1.032 1280 Q HN 0.915 nan 8.270 nan 0.000 0.510 1281 H N -0.687 118.576 119.070 0.321 0.000 3.038 1281 H HA 0.407 4.964 4.556 0.001 0.000 0.362 1281 H C -1.713 173.696 175.328 0.134 0.000 1.167 1281 H CA -0.618 55.592 56.048 0.270 0.000 1.197 1281 H CB 1.209 31.214 29.762 0.406 0.000 1.840 1281 H HN -0.118 nan 8.280 nan 0.000 0.540 1282 I N 4.179 124.551 120.570 -0.330 0.000 2.512 1282 I HA 0.292 4.463 4.170 0.001 0.000 0.287 1282 I C -0.787 175.199 176.117 -0.218 0.000 1.069 1282 I CA -0.403 60.785 61.300 -0.186 0.000 1.056 1282 I CB 1.704 39.632 38.000 -0.120 0.000 1.229 1282 I HN 0.706 nan 8.210 nan 0.000 0.429 1283 E N 4.584 124.734 120.200 -0.083 0.000 2.367 1283 E HA 0.392 4.742 4.350 0.001 0.000 0.273 1283 E C -0.837 175.747 176.600 -0.026 0.000 0.903 1283 E CA -0.784 55.598 56.400 -0.031 0.000 0.764 1283 E CB 2.240 31.965 29.700 0.043 0.000 1.252 1283 E HN 0.437 nan 8.360 nan 0.000 0.446 1284 E N 0.038 120.226 120.200 -0.021 0.000 2.252 1284 E HA -0.212 4.138 4.350 0.001 0.000 0.218 1284 E C -0.896 175.669 176.600 -0.057 0.000 1.253 1284 E CA -0.005 56.368 56.400 -0.044 0.000 0.705 1284 E CB -1.550 28.087 29.700 -0.104 0.000 1.172 1284 E HN 0.364 nan 8.360 nan 0.000 0.369 1285 c N 1.327 119.898 118.600 -0.048 0.000 2.632 1285 c HA 0.177 4.748 4.570 0.001 0.000 0.415 1285 c C 1.113 175.184 174.090 -0.031 0.000 1.332 1285 c CA -0.211 56.091 56.329 -0.045 0.000 1.874 1285 c CB 0.319 42.794 42.510 -0.060 0.000 2.596 1285 c HN 0.335 nan 8.230 nan 0.000 0.590 1286 S N 2.645 118.344 115.700 -0.001 0.000 2.420 1286 S HA 0.421 4.892 4.470 0.001 0.000 0.313 1286 S C -0.284 174.344 174.600 0.046 0.000 1.079 1286 S CA -0.518 57.702 58.200 0.034 0.000 1.104 1286 S CB 0.302 63.550 63.200 0.080 0.000 0.969 1286 S HN 0.836 nan 8.310 nan 0.000 0.471 1287 c N 3.585 122.219 118.600 0.055 0.000 2.435 1287 c HA 0.906 5.477 4.570 0.001 0.000 0.333 1287 c C -0.465 173.743 174.090 0.197 0.000 1.202 1287 c CA -1.038 55.321 56.329 0.051 0.000 1.830 1287 c CB -0.220 42.275 42.510 -0.025 0.000 2.326 1287 c HN 0.941 nan 8.230 nan 0.000 0.507 1288 Y N -0.616 119.729 120.300 0.076 0.000 2.609 1288 Y HA 0.806 5.357 4.550 0.001 0.000 0.336 1288 Y C -0.316 175.698 175.900 0.190 0.000 1.129 1288 Y CA -0.929 57.301 58.100 0.218 0.000 1.040 1288 Y CB 0.876 39.525 38.460 0.315 0.000 1.310 1288 Y HN 0.870 nan 8.280 nan 0.000 0.460 1289 G N 0.406 109.349 108.800 0.239 0.000 2.473 1289 G HA2 0.879 4.840 3.960 0.001 0.000 0.321 1289 G HA3 0.879 4.840 3.960 0.001 0.000 0.321 1289 G C -1.673 173.483 174.900 0.427 0.000 1.200 1289 G CA -0.693 44.471 45.100 0.107 0.000 0.963 1289 G HN 1.538 nan 8.290 nan 0.000 0.483 1290 A N -0.818 122.212 122.820 0.351 0.000 2.583 1290 A HA 0.683 5.003 4.320 0.001 0.000 0.298 1290 A C 0.536 178.262 177.584 0.236 0.000 1.055 1290 A CA 0.443 52.767 52.037 0.478 0.000 0.714 1290 A CB 0.634 19.930 19.000 0.493 0.000 1.277 1290 A HN 2.597 nan 8.150 nan 0.000 0.406 1291 G N 0.500 109.409 108.800 0.182 0.000 2.422 1291 G HA2 0.194 4.154 3.960 0.001 0.000 0.301 1291 G HA3 0.194 4.154 3.960 0.001 0.000 0.301 1291 G C 1.836 176.755 174.900 0.030 0.000 0.981 1291 G CA 1.824 46.975 45.100 0.084 0.000 0.994 1291 G HN 2.990 nan 8.290 nan 0.000 0.514 1292 G N -3.389 105.405 108.800 -0.011 0.000 2.148 1292 G HA2 -0.015 3.946 3.960 0.001 0.000 0.254 1292 G HA3 -0.015 3.946 3.960 0.001 0.000 0.254 1292 G C 0.283 175.069 174.900 -0.189 0.000 0.981 1292 G CA 0.604 45.580 45.100 -0.207 0.000 0.670 1292 G HN 1.658 nan 8.290 nan 0.000 0.528 1293 V N 1.079 120.941 119.914 -0.087 0.000 2.540 1293 V HA 0.618 4.738 4.120 0.001 0.000 0.302 1293 V C 0.426 176.457 176.094 -0.105 0.000 1.035 1293 V CA -0.861 61.391 62.300 -0.079 0.000 0.873 1293 V CB 1.931 33.732 31.823 -0.037 0.000 0.992 1293 V HN 0.280 nan 8.190 nan 0.000 0.428 1294 I N 4.914 125.409 120.570 -0.125 0.000 2.315 1294 I HA 0.404 4.574 4.170 0.001 0.000 0.291 1294 I C 0.130 176.116 176.117 -0.217 0.000 1.006 1294 I CA -0.342 60.850 61.300 -0.180 0.000 1.265 1294 I CB 1.037 38.963 38.000 -0.123 0.000 1.387 1294 I HN 0.467 nan 8.210 nan 0.000 0.475 1295 K N 5.676 125.837 120.400 -0.398 0.000 2.235 1295 K HA 0.559 4.880 4.320 0.001 0.000 0.266 1295 K C -1.375 175.071 176.600 -0.256 0.000 0.980 1295 K CA -0.585 55.511 56.287 -0.320 0.000 0.849 1295 K CB 1.910 34.206 32.500 -0.340 0.000 1.098 1295 K HN 0.538 nan 8.250 nan 0.000 0.445 1296 c N 3.951 122.473 118.600 -0.130 0.000 2.319 1296 c HA 0.494 5.065 4.570 0.001 0.000 0.323 1296 c C -0.428 173.631 174.090 -0.051 0.000 1.277 1296 c CA -0.942 55.339 56.329 -0.080 0.000 1.517 1296 c CB -0.339 42.118 42.510 -0.088 0.000 2.206 1296 c HN 0.634 nan 8.230 nan 0.000 0.486 1297 I N 3.300 123.859 120.570 -0.018 0.000 2.362 1297 I HA 0.523 4.693 4.170 0.001 0.000 0.289 1297 I C 0.318 176.424 176.117 -0.018 0.000 0.994 1297 I CA 0.196 61.488 61.300 -0.013 0.000 1.158 1297 I CB 0.687 38.694 38.000 0.011 0.000 1.315 1297 I HN 0.708 nan 8.210 nan 0.000 0.451 1298 c N 4.270 122.850 118.600 -0.034 0.000 3.157 1298 c HA 0.720 5.291 4.570 0.001 0.000 0.368 1298 c C 0.096 174.180 174.090 -0.011 0.000 1.623 1298 c CA -1.075 55.233 56.329 -0.035 0.000 1.530 1298 c CB 2.144 44.620 42.510 -0.057 0.000 2.152 1298 c HN 0.766 nan 8.230 nan 0.000 0.456 1299 R N 1.206 121.709 120.500 0.006 0.000 2.393 1299 R HA 0.413 4.754 4.340 0.001 0.000 0.315 1299 R C -1.592 174.793 176.300 0.142 0.000 0.952 1299 R CA -0.017 56.116 56.100 0.055 0.000 0.842 1299 R CB 0.883 31.197 30.300 0.024 0.000 1.163 1299 R HN 0.832 nan 8.270 nan 0.000 0.450 1300 D N 3.330 123.850 120.400 0.201 0.000 2.396 1300 D HA 0.053 4.694 4.640 0.001 0.000 0.225 1300 D C -0.083 176.401 176.300 0.305 0.000 1.121 1300 D CA -0.236 53.969 54.000 0.341 0.000 0.853 1300 D CB 1.205 42.222 40.800 0.361 0.000 1.043 1300 D HN 0.671 nan 8.370 nan 0.000 0.500 1301 N N 3.172 122.113 118.700 0.403 0.000 2.412 1301 N HA -0.005 4.736 4.740 0.001 0.000 0.184 1301 N C 0.849 176.375 175.510 0.027 0.000 1.101 1301 N CA 0.170 53.318 53.050 0.164 0.000 0.881 1301 N CB 0.076 38.678 38.487 0.192 0.000 0.969 1301 N HN 0.499 nan 8.380 nan 0.000 0.459 1302 W N 0.757 121.871 121.300 -0.310 0.000 2.560 1302 W HA 0.250 4.911 4.660 0.001 0.000 0.303 1302 W C 1.313 177.779 176.519 -0.089 0.000 1.151 1302 W CA 1.301 58.470 57.345 -0.295 0.000 1.426 1302 W CB -0.007 29.232 29.460 -0.369 0.000 1.135 1302 W HN -0.130 nan 8.180 nan 0.000 0.522 1303 K N -1.480 118.887 120.400 -0.055 0.000 2.509 1303 K HA 0.253 4.573 4.320 0.001 0.000 0.205 1303 K C 1.013 177.558 176.600 -0.091 0.000 1.336 1303 K CA 0.498 56.651 56.287 -0.223 0.000 0.912 1303 K CB -0.256 31.962 32.500 -0.470 0.000 1.568 1303 K HN -0.102 nan 8.250 nan 0.000 0.475 1304 G N 0.766 109.561 108.800 -0.008 0.000 2.378 1304 G HA2 0.314 4.275 3.960 0.001 0.000 0.255 1304 G HA3 0.314 4.275 3.960 0.001 0.000 0.255 1304 G C 0.489 175.413 174.900 0.041 0.000 1.270 1304 G CA 0.099 45.196 45.100 -0.006 0.000 0.876 1304 G HN 0.312 nan 8.290 nan 0.000 0.521 1305 A N 2.672 125.491 122.820 -0.002 0.000 2.238 1305 A HA 0.150 4.470 4.320 0.001 0.000 0.210 1305 A C 1.279 178.878 177.584 0.025 0.000 1.179 1305 A CA -0.059 51.986 52.037 0.014 0.000 0.827 1305 A CB -0.277 18.718 19.000 -0.008 0.000 0.856 1305 A HN 0.729 nan 8.150 nan 0.000 0.488 1306 N N 0.624 119.344 118.700 0.033 0.000 2.483 1306 N HA 0.210 4.951 4.740 0.001 0.000 0.269 1306 N C -0.619 175.015 175.510 0.206 0.000 1.209 1306 N CA -0.310 52.794 53.050 0.091 0.000 0.969 1306 N CB 0.459 38.989 38.487 0.071 0.000 1.173 1306 N HN 0.172 nan 8.380 nan 0.000 0.475 1307 R N 0.354 120.950 120.500 0.161 0.000 2.312 1307 R HA 0.399 4.740 4.340 0.001 0.000 0.311 1307 R C -2.281 174.059 176.300 0.067 0.000 1.004 1307 R CA -1.607 54.559 56.100 0.109 0.000 0.902 1307 R CB 0.972 31.288 30.300 0.027 0.000 1.073 1307 R HN 0.479 nan 8.270 nan 0.000 0.457 1308 P HA 0.060 nan 4.420 nan 0.000 0.272 1308 P C -0.747 176.439 177.300 -0.190 0.000 1.223 1308 P CA -0.243 62.611 63.100 -0.410 0.000 0.784 1308 P CB 0.710 32.117 31.700 -0.488 0.000 0.923 1309 V N 3.920 123.726 119.914 -0.180 0.000 2.443 1309 V HA 0.371 4.492 4.120 0.001 0.000 0.293 1309 V C 0.140 176.188 176.094 -0.076 0.000 1.021 1309 V CA -0.413 61.835 62.300 -0.085 0.000 0.848 1309 V CB 1.314 33.117 31.823 -0.033 0.000 0.998 1309 V HN 0.369 nan 8.190 nan 0.000 0.424 1310 I N 3.684 124.216 120.570 -0.065 0.000 2.359 1310 I HA 0.480 4.651 4.170 0.001 0.000 0.294 1310 I C 0.155 176.256 176.117 -0.027 0.000 0.987 1310 I CA -0.086 61.195 61.300 -0.032 0.000 1.225 1310 I CB 1.894 39.853 38.000 -0.069 0.000 1.366 1310 I HN 0.514 nan 8.210 nan 0.000 0.466 1311 T N 7.083 121.646 114.554 0.015 0.000 2.770 1311 T HA 0.609 4.960 4.350 0.001 0.000 0.283 1311 T C -0.200 174.525 174.700 0.042 0.000 0.988 1311 T CA -0.329 61.771 62.100 0.000 0.000 0.957 1311 T CB 0.974 69.843 68.868 0.000 0.000 0.930 1311 T HN 0.270 nan 8.240 nan 0.000 0.443 1312 I N 2.803 123.382 120.570 0.014 0.000 2.406 1312 I HA 0.305 4.475 4.170 0.001 0.000 0.290 1312 I C -0.400 175.741 176.117 0.040 0.000 0.999 1312 I CA -0.822 60.519 61.300 0.068 0.000 1.124 1312 I CB 1.748 39.773 38.000 0.041 0.000 1.289 1312 I HN 0.496 nan 8.210 nan 0.000 0.441 1313 D N 9.110 129.547 120.400 0.062 0.000 2.412 1313 D HA 0.236 4.877 4.640 0.001 0.000 0.224 1313 D C -1.776 174.551 176.300 0.046 0.000 1.093 1313 D CA -2.240 51.767 54.000 0.013 0.000 0.850 1313 D CB 1.750 42.545 40.800 -0.009 0.000 1.046 1313 D HN 0.220 nan 8.370 nan 0.000 0.507 1314 P HA -0.019 nan 4.420 nan 0.000 0.236 1314 P C 0.698 178.045 177.300 0.079 0.000 1.177 1314 P CA 0.587 63.760 63.100 0.122 0.000 0.773 1314 P CB 0.829 32.598 31.700 0.115 0.000 0.878 1315 E N -0.214 120.017 120.200 0.051 0.000 2.030 1315 E HA -0.007 4.344 4.350 0.001 0.000 0.189 1315 E C 2.048 178.619 176.600 -0.049 0.000 0.974 1315 E CA 0.920 57.343 56.400 0.038 0.000 0.807 1315 E CB -0.435 29.305 29.700 0.066 0.000 0.771 1315 E HN 0.091 nan 8.360 nan 0.000 0.451 1316 M N -0.080 119.484 119.600 -0.061 0.000 2.279 1316 M HA -0.029 4.451 4.480 0.001 0.000 0.264 1316 M C 0.982 177.165 176.300 -0.196 0.000 1.062 1316 M CA 0.980 56.220 55.300 -0.100 0.000 1.099 1316 M CB -0.731 31.826 32.600 -0.072 0.000 1.394 1316 M HN 0.242 nan 8.290 nan 0.000 0.426 1317 M N 1.345 120.789 119.600 -0.260 0.000 2.347 1317 M HA -0.167 4.314 4.480 0.001 0.000 0.198 1317 M C -0.110 175.894 176.300 -0.493 0.000 0.549 1317 M CA 0.659 55.546 55.300 -0.689 0.000 0.481 1317 M CB -2.213 29.755 32.600 -1.053 0.000 1.393 1317 M HN 0.454 nan 8.290 nan 0.000 0.905 1318 T N -2.727 111.762 114.554 -0.110 0.000 2.907 1318 T HA 0.911 5.262 4.350 0.001 0.000 0.290 1318 T C -0.520 174.289 174.700 0.182 0.000 1.066 1318 T CA -0.698 61.420 62.100 0.030 0.000 1.012 1318 T CB 2.774 71.612 68.868 -0.051 0.000 1.184 1318 T HN 0.522 nan 8.240 nan 0.000 0.522 1319 H N -0.920 118.178 119.070 0.046 0.000 2.960 1319 H HA 0.783 5.340 4.556 0.001 0.000 0.338 1319 H C -1.140 174.189 175.328 0.002 0.000 1.261 1319 H CA -0.713 55.353 56.048 0.030 0.000 1.136 1319 H CB 1.490 31.277 29.762 0.041 0.000 1.875 1319 H HN 0.999 nan 8.280 nan 0.000 0.550 1320 T N -1.244 113.319 114.554 0.015 0.000 2.887 1320 T HA 0.611 4.962 4.350 0.001 0.000 0.292 1320 T C -0.481 174.285 174.700 0.110 0.000 1.087 1320 T CA -0.598 61.477 62.100 -0.042 0.000 1.009 1320 T CB 1.567 70.412 68.868 -0.038 0.000 1.203 1320 T HN 0.954 nan 8.240 nan 0.000 0.518 1321 S N -0.068 115.669 115.700 0.061 0.000 2.536 1321 S HA 0.829 5.300 4.470 0.001 0.000 0.271 1321 S C -0.931 173.664 174.600 -0.009 0.000 1.134 1321 S CA -0.826 57.392 58.200 0.029 0.000 0.897 1321 S CB 2.069 65.293 63.200 0.039 0.000 1.094 1321 S HN 1.354 nan 8.310 nan 0.000 0.473 1322 K N 0.815 121.180 120.400 -0.058 0.000 2.210 1322 K HA 0.506 4.827 4.320 0.001 0.000 0.256 1322 K C -1.735 174.770 176.600 -0.158 0.000 0.854 1322 K CA -0.975 55.300 56.287 -0.019 0.000 0.706 1322 K CB 0.316 32.851 32.500 0.057 0.000 1.474 1322 K HN 0.538 nan 8.250 nan 0.000 0.371 1323 Y N 0.498 120.808 120.300 0.018 0.000 2.509 1323 Y HA 0.425 4.976 4.550 0.001 0.000 0.341 1323 Y C 0.106 176.011 175.900 0.008 0.000 1.038 1323 Y CA -1.015 57.093 58.100 0.013 0.000 1.089 1323 Y CB 1.667 40.130 38.460 0.005 0.000 1.241 1323 Y HN 0.332 nan 8.280 nan 0.000 0.468 1324 L N 1.919 123.234 121.223 0.153 0.000 2.559 1324 L HA -0.133 4.208 4.340 0.001 0.000 0.274 1324 L C 0.555 177.479 176.870 0.091 0.000 1.205 1324 L CA -0.014 54.880 54.840 0.091 0.000 0.907 1324 L CB 0.337 42.432 42.059 0.059 0.000 1.153 1324 L HN 0.971 nan 8.230 nan 0.000 0.490 1325 c N 1.510 120.146 118.600 0.061 0.000 2.435 1325 c HA -0.080 4.491 4.570 0.001 0.000 0.279 1325 c C 1.806 175.906 174.090 0.017 0.000 1.321 1325 c CA 0.090 56.443 56.329 0.040 0.000 1.752 1325 c CB -0.677 41.851 42.510 0.030 0.000 1.959 1325 c HN 0.882 nan 8.230 nan 0.000 0.500 1326 S N 1.292 116.998 115.700 0.011 0.000 2.563 1326 S HA -0.008 4.462 4.470 0.001 0.000 0.284 1326 S C 1.507 176.099 174.600 -0.014 0.000 1.331 1326 S CA -0.104 58.092 58.200 -0.008 0.000 1.047 1326 S CB 0.421 63.611 63.200 -0.017 0.000 0.859 1326 S HN 0.694 nan 8.310 nan 0.000 0.514 1327 K N 2.747 123.133 120.400 -0.023 0.000 2.362 1327 K HA -0.017 4.304 4.320 0.001 0.000 0.200 1327 K C 0.219 176.800 176.600 -0.032 0.000 1.046 1327 K CA 0.814 57.084 56.287 -0.029 0.000 0.952 1327 K CB -0.446 32.037 32.500 -0.029 0.000 0.753 1327 K HN 0.420 nan 8.250 nan 0.000 0.466 1328 V N 4.004 123.896 119.914 -0.035 0.000 2.382 1328 V HA 0.057 4.177 4.120 0.001 0.000 0.250 1328 V C 0.348 176.416 176.094 -0.043 0.000 1.069 1328 V CA 0.047 62.321 62.300 -0.044 0.000 1.130 1328 V CB -0.679 31.111 31.823 -0.055 0.000 1.165 1328 V HN 0.198 nan 8.190 nan 0.000 0.483 1329 L N 4.920 126.120 121.223 -0.040 0.000 2.416 1329 L HA 0.307 4.647 4.340 0.001 0.000 0.272 1329 L C 1.282 178.123 176.870 -0.048 0.000 1.161 1329 L CA 0.144 54.964 54.840 -0.033 0.000 0.845 1329 L CB 0.820 42.862 42.059 -0.028 0.000 1.119 1329 L HN 0.738 nan 8.230 nan 0.000 0.464 1330 T N -3.825 110.702 114.554 -0.045 0.000 3.091 1330 T HA 0.141 4.491 4.350 0.001 0.000 0.277 1330 T C 0.211 174.886 174.700 -0.042 0.000 0.996 1330 T CA -0.537 61.518 62.100 -0.075 0.000 0.897 1330 T CB 0.121 68.918 68.868 -0.118 0.000 1.109 1330 T HN 0.423 nan 8.240 nan 0.000 0.534 1331 D N 1.750 122.148 120.400 -0.005 0.000 2.387 1331 D HA 0.474 5.114 4.640 0.001 0.000 0.251 1331 D C -0.458 175.860 176.300 0.029 0.000 1.141 1331 D CA 0.089 54.104 54.000 0.024 0.000 0.987 1331 D CB 1.697 42.525 40.800 0.046 0.000 1.116 1331 D HN 0.086 nan 8.370 nan 0.000 0.491 1332 T N 0.499 115.088 114.554 0.058 0.000 2.856 1332 T HA 0.447 4.798 4.350 0.001 0.000 0.283 1332 T C -0.897 173.846 174.700 0.071 0.000 1.008 1332 T CA -0.446 61.694 62.100 0.068 0.000 0.997 1332 T CB 1.042 69.970 68.868 0.099 0.000 0.992 1332 T HN 0.376 nan 8.240 nan 0.000 0.454 1333 S N 1.978 117.714 115.700 0.059 0.000 3.516 1333 S HA -0.128 4.343 4.470 0.001 0.000 0.562 1333 S C 0.027 174.645 174.600 0.030 0.000 0.655 1333 S CA 0.336 58.562 58.200 0.045 0.000 1.400 1333 S CB -0.593 62.637 63.200 0.049 0.000 0.946 1333 S HN 0.893 nan 8.310 nan 0.000 0.871 1334 R N 2.240 122.750 120.500 0.017 0.000 2.867 1334 R HA 0.875 5.215 4.340 0.001 0.000 0.268 1334 R C -3.162 173.136 176.300 -0.004 0.000 1.014 1334 R CA -2.282 53.820 56.100 0.003 0.000 0.946 1334 R CB 1.266 31.564 30.300 -0.004 0.000 1.208 1334 R HN 0.241 nan 8.270 nan 0.000 0.477 1335 P HA 0.131 nan 4.420 nan 0.000 0.293 1335 P C -0.895 176.394 177.300 -0.019 0.000 1.304 1335 P CA -0.644 62.446 63.100 -0.016 0.000 0.767 1335 P CB 0.378 32.063 31.700 -0.024 0.000 1.247 1336 N N 0.427 119.116 118.700 -0.019 0.000 2.441 1336 N HA 0.021 4.762 4.740 0.001 0.000 0.251 1336 N C -0.143 175.352 175.510 -0.026 0.000 1.242 1336 N CA 0.346 53.383 53.050 -0.022 0.000 0.898 1336 N CB -0.421 38.054 38.487 -0.020 0.000 1.100 1336 N HN 0.333 nan 8.380 nan 0.000 0.443 1337 D N 2.162 122.545 120.400 -0.028 0.000 2.487 1337 D HA 0.056 4.697 4.640 0.001 0.000 0.243 1337 D C -1.480 174.802 176.300 -0.030 0.000 1.154 1337 D CA -0.305 53.677 54.000 -0.031 0.000 0.876 1337 D CB 0.249 41.029 40.800 -0.033 0.000 1.161 1337 D HN 0.349 nan 8.370 nan 0.000 0.478 1338 P HA 0.078 nan 4.420 nan 0.000 0.277 1338 P C 0.628 177.910 177.300 -0.030 0.000 1.276 1338 P CA -0.390 62.691 63.100 -0.032 0.000 0.788 1338 P CB 0.672 32.349 31.700 -0.038 0.000 1.114 1339 T N -1.093 113.444 114.554 -0.028 0.000 2.833 1339 T HA -0.049 4.301 4.350 0.001 0.000 0.269 1339 T C 0.658 175.342 174.700 -0.026 0.000 1.054 1339 T CA 1.312 63.397 62.100 -0.025 0.000 1.135 1339 T CB -0.490 68.365 68.868 -0.023 0.000 0.869 1339 T HN 0.520 nan 8.240 nan 0.000 0.466 1340 N N -0.384 118.299 118.700 -0.028 0.000 2.242 1340 N HA 0.529 5.270 4.740 0.001 0.000 0.292 1340 N C -0.173 175.318 175.510 -0.033 0.000 1.125 1340 N CA -0.857 52.176 53.050 -0.028 0.000 0.783 1340 N CB 2.116 40.587 38.487 -0.026 0.000 1.558 1340 N HN 0.184 nan 8.380 nan 0.000 0.472 1341 G N -0.054 108.729 108.800 -0.029 0.000 2.510 1341 G HA2 0.271 4.231 3.960 0.001 0.000 0.280 1341 G HA3 0.271 4.231 3.960 0.001 0.000 0.280 1341 G C -0.814 174.062 174.900 -0.039 0.000 1.386 1341 G CA -0.311 44.769 45.100 -0.034 0.000 1.047 1341 G HN 0.626 nan 8.290 nan 0.000 0.527 1342 N N -2.056 116.615 118.700 -0.047 0.000 2.410 1342 N HA 0.228 4.968 4.740 0.001 0.000 0.287 1342 N C 0.735 176.244 175.510 -0.002 0.000 1.044 1342 N CA -0.846 52.175 53.050 -0.049 0.000 0.881 1342 N CB 1.379 39.802 38.487 -0.107 0.000 1.405 1342 N HN 0.311 nan 8.380 nan 0.000 0.490 1343 c N 1.189 119.807 118.600 0.031 0.000 2.422 1343 c HA -0.024 4.546 4.570 0.001 0.000 0.279 1343 c C 0.996 175.174 174.090 0.146 0.000 1.305 1343 c CA 0.549 56.928 56.329 0.083 0.000 1.757 1343 c CB -0.521 42.022 42.510 0.055 0.000 1.962 1343 c HN 0.739 nan 8.230 nan 0.000 0.499 1344 D N -0.393 120.065 120.400 0.097 0.000 2.513 1344 D HA 0.421 5.062 4.640 0.001 0.000 0.222 1344 D C 0.152 176.512 176.300 0.100 0.000 1.210 1344 D CA 0.474 54.555 54.000 0.135 0.000 0.825 1344 D CB 0.699 41.541 40.800 0.068 0.000 1.037 1344 D HN 0.476 nan 8.370 nan 0.000 0.506 1345 A N 1.535 124.300 122.820 -0.091 0.000 2.605 1345 A HA 0.539 4.859 4.320 0.001 0.000 0.294 1345 A C -2.911 174.212 177.584 -0.768 0.000 1.062 1345 A CA -1.144 50.708 52.037 -0.308 0.000 0.682 1345 A CB 1.786 20.686 19.000 -0.167 0.000 1.278 1345 A HN -0.250 nan 8.150 nan 0.000 0.410 1346 P HA 0.273 nan 4.420 nan 0.000 0.271 1346 P C -0.534 176.516 177.300 -0.418 0.000 1.216 1346 P CA 0.094 62.697 63.100 -0.829 0.000 0.771 1346 P CB 0.463 31.855 31.700 -0.513 0.000 0.864 1347 I N 3.607 123.993 120.570 -0.307 0.000 2.322 1347 I HA 0.108 4.279 4.170 0.001 0.000 0.292 1347 I C 1.481 177.513 176.117 -0.140 0.000 1.060 1347 I CA 0.185 61.379 61.300 -0.177 0.000 1.309 1347 I CB 0.070 37.998 38.000 -0.120 0.000 1.415 1347 I HN 0.378 nan 8.210 nan 0.000 0.492 1348 T N 2.511 116.985 114.554 -0.133 0.000 2.912 1348 T HA 0.881 5.231 4.350 0.001 0.000 0.280 1348 T C 0.274 174.931 174.700 -0.073 0.000 0.989 1348 T CA -0.206 61.829 62.100 -0.109 0.000 0.995 1348 T CB 2.276 71.064 68.868 -0.133 0.000 1.077 1348 T HN 1.008 nan 8.240 nan 0.000 0.531 1349 G N -1.524 107.243 108.800 -0.054 0.000 2.354 1349 G HA2 0.547 4.508 3.960 0.001 0.000 0.582 1349 G HA3 0.547 4.508 3.960 0.001 0.000 0.582 1349 G C -0.052 174.837 174.900 -0.018 0.000 1.316 1349 G CA -0.058 45.021 45.100 -0.035 0.000 0.995 1349 G HN 2.557 nan 8.290 nan 0.000 0.573 1350 G N -1.739 107.055 108.800 -0.010 0.000 2.662 1350 G HA2 0.528 4.489 3.960 0.001 0.000 0.686 1350 G HA3 0.528 4.489 3.960 0.001 0.000 0.686 1350 G C -0.155 174.750 174.900 0.009 0.000 1.271 1350 G CA 0.976 46.076 45.100 0.001 0.000 0.816 1350 G HN 2.564 nan 8.290 nan 0.000 0.608 1351 S N 0.117 115.827 115.700 0.017 0.000 2.543 1351 S HA 0.809 5.279 4.470 0.001 0.000 0.274 1351 S C -2.205 172.413 174.600 0.030 0.000 1.149 1351 S CA 0.015 58.228 58.200 0.021 0.000 0.866 1351 S CB 2.359 65.567 63.200 0.015 0.000 1.111 1351 S HN 0.756 nan 8.310 nan 0.000 0.457 1352 P HA 0.329 nan 4.420 nan 0.000 0.267 1352 P C -0.732 176.589 177.300 0.036 0.000 1.289 1352 P CA 0.162 63.280 63.100 0.030 0.000 0.866 1352 P CB 0.045 31.761 31.700 0.027 0.000 1.309 1353 D N 1.298 121.725 120.400 0.046 0.000 2.192 1353 D HA 0.183 4.824 4.640 0.001 0.000 0.246 1353 D C -1.547 174.789 176.300 0.060 0.000 1.042 1353 D CA -1.730 52.304 54.000 0.056 0.000 0.847 1353 D CB 1.990 42.833 40.800 0.071 0.000 1.186 1353 D HN 0.034 nan 8.370 nan 0.000 0.461 1354 P HA 0.046 nan 4.420 nan 0.000 0.225 1354 P C 0.351 177.701 177.300 0.084 0.000 1.156 1354 P CA 0.466 63.607 63.100 0.069 0.000 0.787 1354 P CB 0.822 32.564 31.700 0.069 0.000 0.802 1355 G N -1.686 107.173 108.800 0.098 0.000 2.411 1355 G HA2 0.420 4.381 3.960 0.001 0.000 0.295 1355 G HA3 0.420 4.381 3.960 0.001 0.000 0.295 1355 G C -2.401 172.579 174.900 0.132 0.000 1.542 1355 G CA -0.304 44.861 45.100 0.108 0.000 0.814 1355 G HN 0.034 nan 8.290 nan 0.000 0.557 1356 V N 0.205 120.183 119.914 0.107 0.000 3.012 1356 V HA 0.750 4.871 4.120 0.001 0.000 0.307 1356 V C -0.182 175.863 176.094 -0.082 0.000 1.166 1356 V CA -1.072 61.293 62.300 0.107 0.000 0.974 1356 V CB 1.983 33.938 31.823 0.221 0.000 1.040 1356 V HN 1.055 nan 8.190 nan 0.000 0.428 1357 K N 3.218 123.337 120.400 -0.469 0.000 2.401 1357 K HA 0.591 4.911 4.320 0.001 0.000 0.278 1357 K C 0.050 176.566 176.600 -0.140 0.000 1.018 1357 K CA 0.896 56.898 56.287 -0.475 0.000 0.981 1357 K CB 0.724 32.616 32.500 -1.014 0.000 0.933 1357 K HN 1.017 nan 8.250 nan 0.000 0.477 1358 G N 2.407 111.192 108.800 -0.024 0.000 2.782 1358 G HA2 0.674 4.634 3.960 0.001 0.000 0.304 1358 G HA3 0.674 4.634 3.960 0.001 0.000 0.304 1358 G C -1.590 173.396 174.900 0.143 0.000 1.315 1358 G CA -0.765 44.393 45.100 0.098 0.000 0.791 1358 G HN 0.682 nan 8.290 nan 0.000 0.519 1359 F N -2.363 117.548 119.950 -0.064 0.000 2.773 1359 F HA 0.893 5.421 4.527 0.001 0.000 0.314 1359 F C -0.773 174.956 175.800 -0.117 0.000 1.160 1359 F CA -1.043 56.885 58.000 -0.121 0.000 0.920 1359 F CB 1.295 40.184 39.000 -0.184 0.000 1.323 1359 F HN 1.350 nan 8.300 nan 0.000 0.457 1360 A N 1.069 123.780 122.820 -0.183 0.000 2.604 1360 A HA 0.766 5.087 4.320 0.001 0.000 0.295 1360 A C -2.349 175.158 177.584 -0.128 0.000 1.067 1360 A CA -0.666 51.249 52.037 -0.203 0.000 0.683 1360 A CB 1.021 19.963 19.000 -0.097 0.000 1.281 1360 A HN 0.711 nan 8.150 nan 0.000 0.407 1361 F N 0.821 120.887 119.950 0.195 0.000 2.415 1361 F HA 0.633 5.161 4.527 0.001 0.000 0.348 1361 F C -0.004 175.928 175.800 0.220 0.000 1.119 1361 F CA -0.323 57.744 58.000 0.112 0.000 1.069 1361 F CB 1.709 40.730 39.000 0.036 0.000 1.124 1361 F HN 0.324 nan 8.300 nan 0.000 0.472 1362 L N 3.569 125.057 121.223 0.443 0.000 2.377 1362 L HA 0.414 4.754 4.340 0.001 0.000 0.270 1362 L C -1.136 175.918 176.870 0.307 0.000 0.991 1362 L CA -0.369 54.660 54.840 0.316 0.000 0.851 1362 L CB 1.576 43.782 42.059 0.245 0.000 1.218 1362 L HN 0.518 nan 8.230 nan 0.000 0.420 1363 D N 2.746 123.287 120.400 0.235 0.000 2.978 1363 D HA 0.406 5.047 4.640 0.001 0.000 0.268 1363 D C 0.776 177.153 176.300 0.129 0.000 1.252 1363 D CA 0.615 54.731 54.000 0.194 0.000 0.771 1363 D CB 0.749 41.681 40.800 0.220 0.000 1.361 1363 D HN 0.638 nan 8.370 nan 0.000 0.558 1364 G N 2.105 110.964 108.800 0.099 0.000 2.685 1364 G HA2 -0.437 3.524 3.960 0.001 0.000 0.329 1364 G HA3 -0.437 3.524 3.960 0.001 0.000 0.329 1364 G C 1.161 176.089 174.900 0.047 0.000 1.271 1364 G CA 0.672 45.809 45.100 0.063 0.000 1.003 1364 G HN 0.431 nan 8.290 nan 0.000 0.549 1365 E N 0.786 121.006 120.200 0.032 0.000 2.097 1365 E HA -0.146 4.204 4.350 0.001 0.000 0.196 1365 E C 1.866 178.471 176.600 0.008 0.000 1.000 1365 E CA 1.367 57.773 56.400 0.009 0.000 0.804 1365 E CB -0.394 29.312 29.700 0.010 0.000 0.740 1365 E HN 0.464 nan 8.360 nan 0.000 0.454 1366 N N 1.200 119.935 118.700 0.058 0.000 3.243 1366 N HA -0.015 4.725 4.740 0.001 0.000 0.310 1366 N C -1.420 174.206 175.510 0.192 0.000 1.313 1366 N CA 0.024 53.143 53.050 0.116 0.000 1.204 1366 N CB 0.036 38.596 38.487 0.121 0.000 1.483 1366 N HN -0.186 nan 8.380 nan 0.000 0.553 1367 S N 0.542 116.308 115.700 0.110 0.000 2.472 1367 S HA 0.509 4.979 4.470 0.001 0.000 0.303 1367 S C -1.108 173.572 174.600 0.133 0.000 1.099 1367 S CA -0.586 57.720 58.200 0.177 0.000 1.077 1367 S CB 0.861 64.120 63.200 0.099 0.000 1.031 1367 S HN 0.346 nan 8.310 nan 0.000 0.487 1368 W N 2.320 123.743 121.300 0.205 0.000 2.883 1368 W HA 0.620 5.280 4.660 0.001 0.000 0.335 1368 W C -1.138 175.393 176.519 0.020 0.000 1.083 1368 W CA -0.612 56.847 57.345 0.190 0.000 1.233 1368 W CB 1.122 30.848 29.460 0.443 0.000 1.412 1368 W HN 0.298 nan 8.180 nan 0.000 0.490 1369 L N 3.240 124.533 121.223 0.116 0.000 2.341 1369 L HA 0.731 5.072 4.340 0.001 0.000 0.278 1369 L C 0.573 177.277 176.870 -0.277 0.000 1.005 1369 L CA -0.914 53.841 54.840 -0.142 0.000 0.818 1369 L CB 1.313 43.301 42.059 -0.118 0.000 1.259 1369 L HN 0.590 nan 8.230 nan 0.000 0.418 1370 G N 2.816 111.238 108.800 -0.631 0.000 2.400 1370 G HA2 0.731 4.692 3.960 0.001 0.000 0.301 1370 G HA3 0.731 4.692 3.960 0.001 0.000 0.301 1370 G C -0.622 173.975 174.900 -0.504 0.000 1.154 1370 G CA -0.421 44.343 45.100 -0.560 0.000 0.852 1370 G HN 0.794 nan 8.290 nan 0.000 0.511 1371 R N -0.498 119.535 120.500 -0.779 0.000 2.716 1371 R HA 0.592 4.932 4.340 0.001 0.000 0.271 1371 R C -0.268 175.510 176.300 -0.870 0.000 1.028 1371 R CA -0.765 54.980 56.100 -0.592 0.000 0.883 1371 R CB 0.430 30.555 30.300 -0.293 0.000 1.250 1371 R HN 0.634 nan 8.270 nan 0.000 0.465 1372 T N -0.820 113.509 114.554 -0.376 0.000 2.900 1372 T HA 0.208 4.559 4.350 0.001 0.000 0.307 1372 T C 1.464 176.077 174.700 -0.146 0.000 1.065 1372 T CA -0.508 61.501 62.100 -0.152 0.000 1.105 1372 T CB 0.436 69.347 68.868 0.072 0.000 0.979 1372 T HN 0.561 nan 8.240 nan 0.000 0.544 1373 I N 0.786 121.313 120.570 -0.072 0.000 2.277 1373 I HA -0.019 4.152 4.170 0.001 0.000 0.243 1373 I C 1.980 178.078 176.117 -0.031 0.000 1.094 1373 I CA 0.466 61.731 61.300 -0.059 0.000 1.393 1373 I CB -0.413 37.567 38.000 -0.032 0.000 1.078 1373 I HN 0.655 nan 8.210 nan 0.000 0.417 1374 S N 1.918 117.615 115.700 -0.004 0.000 2.525 1374 S HA -0.032 4.438 4.470 0.001 0.000 0.285 1374 S C 1.382 175.992 174.600 0.016 0.000 1.283 1374 S CA -0.356 57.851 58.200 0.012 0.000 1.072 1374 S CB 0.443 63.668 63.200 0.041 0.000 0.867 1374 S HN 0.351 nan 8.310 nan 0.000 0.492 1375 K N 3.412 123.817 120.400 0.008 0.000 2.288 1375 K HA -0.051 4.270 4.320 0.001 0.000 0.201 1375 K C 0.209 176.827 176.600 0.029 0.000 1.048 1375 K CA 1.153 57.445 56.287 0.009 0.000 0.956 1375 K CB -0.013 32.485 32.500 -0.003 0.000 0.746 1375 K HN 0.486 nan 8.250 nan 0.000 0.461 1376 D N 1.160 121.586 120.400 0.043 0.000 2.269 1376 D HA -0.011 4.630 4.640 0.001 0.000 0.220 1376 D C 0.672 177.024 176.300 0.087 0.000 0.962 1376 D CA 0.815 54.849 54.000 0.057 0.000 0.884 1376 D CB 0.257 41.089 40.800 0.054 0.000 1.023 1376 D HN 0.295 nan 8.370 nan 0.000 0.484 1377 S N -0.477 115.294 115.700 0.118 0.000 2.677 1377 S HA 0.556 5.026 4.470 0.001 0.000 0.304 1377 S C -0.020 174.711 174.600 0.220 0.000 1.108 1377 S CA -0.953 57.355 58.200 0.180 0.000 0.944 1377 S CB 1.960 65.312 63.200 0.253 0.000 1.127 1377 S HN -0.107 nan 8.310 nan 0.000 0.511 1378 R N 1.737 122.407 120.500 0.284 0.000 3.710 1378 R HA 0.315 4.656 4.340 0.001 0.000 0.201 1378 R C -0.105 176.446 176.300 0.419 0.000 1.641 1378 R CA -0.096 56.192 56.100 0.313 0.000 1.390 1378 R CB -0.350 30.122 30.300 0.286 0.000 1.341 1378 R HN 0.718 nan 8.270 nan 0.000 0.728 1379 S N -0.346 115.517 115.700 0.272 0.000 2.549 1379 S HA 0.792 5.263 4.470 0.001 0.000 0.280 1379 S C 0.122 174.772 174.600 0.084 0.000 1.109 1379 S CA -0.227 58.057 58.200 0.139 0.000 0.905 1379 S CB 2.219 65.332 63.200 -0.146 0.000 1.081 1379 S HN 0.642 nan 8.310 nan 0.000 0.477 1380 G N 0.794 109.638 108.800 0.073 0.000 2.846 1380 G HA2 0.022 3.982 3.960 0.001 0.000 0.660 1380 G HA3 0.022 3.982 3.960 0.001 0.000 0.660 1380 G C -1.236 173.793 174.900 0.215 0.000 1.464 1380 G CA -0.202 44.958 45.100 0.099 0.000 0.891 1380 G HN 1.640 nan 8.290 nan 0.000 0.552 1381 Y N 0.680 121.044 120.300 0.107 0.000 2.442 1381 Y HA 0.555 5.106 4.550 0.001 0.000 0.330 1381 Y C -0.143 175.817 175.900 0.101 0.000 1.100 1381 Y CA -0.203 57.967 58.100 0.117 0.000 1.034 1381 Y CB 1.654 40.222 38.460 0.179 0.000 1.285 1381 Y HN 0.996 nan 8.280 nan 0.000 0.440 1382 E N 5.069 125.069 120.200 -0.332 0.000 2.343 1382 E HA 0.603 4.953 4.350 0.001 0.000 0.270 1382 E C -1.650 174.861 176.600 -0.148 0.000 0.895 1382 E CA -1.276 55.065 56.400 -0.098 0.000 0.767 1382 E CB 2.496 32.151 29.700 -0.075 0.000 1.248 1382 E HN 0.358 nan 8.360 nan 0.000 0.440 1383 M N 2.729 122.360 119.600 0.052 0.000 2.243 1383 M HA 0.426 4.907 4.480 0.001 0.000 0.324 1383 M C -1.166 175.374 176.300 0.400 0.000 1.031 1383 M CA -0.683 54.694 55.300 0.127 0.000 0.949 1383 M CB 1.095 33.658 32.600 -0.061 0.000 1.615 1383 M HN 0.606 nan 8.290 nan 0.000 0.430 1384 L N 2.761 124.161 121.223 0.295 0.000 2.349 1384 L HA 0.502 4.843 4.340 0.001 0.000 0.278 1384 L C 0.153 176.892 176.870 -0.219 0.000 0.996 1384 L CA -0.693 54.177 54.840 0.051 0.000 0.825 1384 L CB 2.015 44.047 42.059 -0.044 0.000 1.243 1384 L HN 0.618 nan 8.230 nan 0.000 0.412 1385 K N 3.014 122.900 120.400 -0.856 0.000 2.315 1385 K HA 0.368 4.688 4.320 0.001 0.000 0.291 1385 K C -1.011 175.266 176.600 -0.538 0.000 1.074 1385 K CA -0.242 55.280 56.287 -1.275 0.000 0.936 1385 K CB 0.637 32.214 32.500 -1.539 0.000 1.049 1385 K HN 0.384 nan 8.250 nan 0.000 0.471 1386 V N 7.944 127.650 119.914 -0.345 0.000 2.289 1386 V HA 0.221 4.342 4.120 0.001 0.000 0.272 1386 V C -2.296 173.723 176.094 -0.124 0.000 1.026 1386 V CA -2.155 60.037 62.300 -0.181 0.000 0.807 1386 V CB 1.030 32.784 31.823 -0.114 0.000 1.044 1386 V HN 0.784 nan 8.190 nan 0.000 0.443 1387 P HA 0.079 nan 4.420 nan 0.000 0.262 1387 P C 0.486 177.765 177.300 -0.035 0.000 1.182 1387 P CA 0.541 63.598 63.100 -0.072 0.000 0.761 1387 P CB 0.154 31.812 31.700 -0.070 0.000 0.795 1388 N N 1.478 120.173 118.700 -0.008 0.000 2.725 1388 N HA -0.255 4.486 4.740 0.001 0.000 0.249 1388 N C 1.025 176.541 175.510 0.010 0.000 1.103 1388 N CA 1.023 54.078 53.050 0.009 0.000 0.707 1388 N CB -1.466 37.024 38.487 0.004 0.000 1.043 1388 N HN 0.522 nan 8.380 nan 0.000 0.553 1389 A N 0.438 123.263 122.820 0.009 0.000 1.986 1389 A HA -0.216 4.105 4.320 0.001 0.000 0.220 1389 A C 2.004 179.604 177.584 0.027 0.000 1.171 1389 A CA 1.970 54.013 52.037 0.010 0.000 0.640 1389 A CB -0.255 18.750 19.000 0.008 0.000 0.811 1389 A HN 0.553 nan 8.150 nan 0.000 0.451 1390 E N -1.012 119.213 120.200 0.042 0.000 2.481 1390 E HA -0.066 4.285 4.350 0.001 0.000 0.195 1390 E C 1.482 178.106 176.600 0.039 0.000 1.047 1390 E CA 1.227 57.656 56.400 0.048 0.000 0.867 1390 E CB 0.118 29.856 29.700 0.064 0.000 0.858 1390 E HN 0.778 nan 8.360 nan 0.000 0.513 1391 T N -3.353 111.219 114.554 0.030 0.000 2.966 1391 T HA 0.070 4.420 4.350 0.001 0.000 0.254 1391 T C 0.233 174.943 174.700 0.016 0.000 0.961 1391 T CA -0.458 61.657 62.100 0.024 0.000 0.915 1391 T CB 0.381 69.263 68.868 0.023 0.000 1.186 1391 T HN -0.131 nan 8.240 nan 0.000 0.505 1392 D N 1.905 122.311 120.400 0.011 0.000 2.414 1392 D HA 0.324 4.964 4.640 0.001 0.000 0.232 1392 D C 1.456 177.756 176.300 -0.001 0.000 1.070 1392 D CA -0.982 53.020 54.000 0.002 0.000 0.839 1392 D CB 1.202 42.000 40.800 -0.003 0.000 1.079 1392 D HN 0.468 nan 8.370 nan 0.000 0.521 1393 I N 0.493 121.061 120.570 -0.002 0.000 2.756 1393 I HA -0.135 4.035 4.170 0.001 0.000 0.262 1393 I C 0.952 177.061 176.117 -0.014 0.000 1.225 1393 I CA 0.886 62.181 61.300 -0.008 0.000 1.472 1393 I CB -0.042 37.952 38.000 -0.010 0.000 1.094 1393 I HN 0.241 nan 8.210 nan 0.000 0.454 1394 Q N 1.673 121.465 119.800 -0.014 0.000 2.282 1394 Q HA 0.162 4.503 4.340 0.001 0.000 0.206 1394 Q C 0.562 176.548 176.000 -0.023 0.000 0.878 1394 Q CA -0.008 55.784 55.803 -0.019 0.000 0.944 1394 Q CB 0.478 29.206 28.738 -0.017 0.000 1.100 1394 Q HN 0.658 nan 8.270 nan 0.000 0.509 1395 S N -0.028 115.658 115.700 -0.023 0.000 2.533 1395 S HA 0.471 4.942 4.470 0.001 0.000 0.282 1395 S C 0.328 174.904 174.600 -0.040 0.000 1.304 1395 S CA -0.242 57.939 58.200 -0.031 0.000 1.063 1395 S CB 1.320 64.503 63.200 -0.029 0.000 0.881 1395 S HN 0.248 nan 8.310 nan 0.000 0.493 1396 G N 1.549 110.320 108.800 -0.049 0.000 2.730 1396 G HA2 0.697 4.658 3.960 0.001 0.000 0.289 1396 G HA3 0.697 4.658 3.960 0.001 0.000 0.289 1396 G C -3.381 171.474 174.900 -0.076 0.000 1.341 1396 G CA -2.048 43.019 45.100 -0.055 0.000 0.932 1396 G HN 0.552 nan 8.290 nan 0.000 0.481 1397 P HA 0.222 nan 4.420 nan 0.000 0.271 1397 P C 0.905 178.144 177.300 -0.101 0.000 1.220 1397 P CA -0.302 62.733 63.100 -0.107 0.000 0.768 1397 P CB 0.967 32.617 31.700 -0.082 0.000 0.848 1398 I N 0.117 120.603 120.570 -0.140 0.000 3.941 1398 I HA 0.203 4.373 4.170 0.001 0.000 0.321 1398 I C -0.022 176.039 176.117 -0.093 0.000 1.284 1398 I CA 0.078 61.315 61.300 -0.106 0.000 1.226 1398 I CB 0.214 38.151 38.000 -0.106 0.000 1.045 1398 I HN 0.216 nan 8.210 nan 0.000 0.420 1399 S N 1.662 117.279 115.700 -0.139 0.000 2.570 1399 S HA 0.508 4.979 4.470 0.001 0.000 0.270 1399 S C -1.124 173.478 174.600 0.003 0.000 1.149 1399 S CA -0.883 57.293 58.200 -0.040 0.000 0.837 1399 S CB 1.699 64.923 63.200 0.040 0.000 1.124 1399 S HN 0.493 nan 8.310 nan 0.000 0.465 1400 N N 0.592 119.381 118.700 0.149 0.000 2.310 1400 N HA 0.318 5.059 4.740 0.001 0.000 0.292 1400 N C -1.644 174.053 175.510 0.312 0.000 1.049 1400 N CA -0.471 52.714 53.050 0.226 0.000 0.849 1400 N CB 2.258 40.817 38.487 0.119 0.000 1.532 1400 N HN 0.830 nan 8.380 nan 0.000 0.479 1401 Q N 2.028 122.067 119.800 0.397 0.000 2.333 1401 Q HA 0.351 4.691 4.340 0.001 0.000 0.268 1401 Q C -1.136 175.030 176.000 0.276 0.000 1.007 1401 Q CA -0.800 55.211 55.803 0.347 0.000 0.810 1401 Q CB 1.751 30.750 28.738 0.434 0.000 1.264 1401 Q HN 0.505 nan 8.270 nan 0.000 0.452 1402 V N 6.436 126.491 119.914 0.235 0.000 2.479 1402 V HA -0.020 4.100 4.120 0.001 0.000 0.281 1402 V C 1.031 177.305 176.094 0.299 0.000 1.031 1402 V CA 0.192 62.622 62.300 0.217 0.000 1.038 1402 V CB 0.522 32.443 31.823 0.164 0.000 0.981 1402 V HN 0.856 nan 8.190 nan 0.000 0.478 1403 I N 5.091 125.872 120.570 0.351 0.000 2.628 1403 I HA 0.132 4.303 4.170 0.001 0.000 0.255 1403 I C 0.597 176.959 176.117 0.408 0.000 1.119 1403 I CA 1.282 62.858 61.300 0.460 0.000 1.448 1403 I CB 0.142 38.480 38.000 0.563 0.000 1.133 1403 I HN 0.333 nan 8.210 nan 0.000 0.438 1404 V N 3.283 123.404 119.914 0.344 0.000 2.577 1404 V HA 0.239 4.359 4.120 0.001 0.000 0.303 1404 V C -0.064 176.139 176.094 0.182 0.000 1.042 1404 V CA -1.136 61.329 62.300 0.276 0.000 0.872 1404 V CB 1.798 33.800 31.823 0.298 0.000 0.998 1404 V HN 0.436 nan 8.190 nan 0.000 0.423 1405 N N 3.049 121.820 118.700 0.118 0.000 2.453 1405 N HA 0.008 4.748 4.740 0.001 0.000 0.253 1405 N C 0.602 176.094 175.510 -0.029 0.000 1.252 1405 N CA -0.245 52.825 53.050 0.032 0.000 0.917 1405 N CB 0.866 39.346 38.487 -0.013 0.000 1.117 1405 N HN 0.796 nan 8.380 nan 0.000 0.442 1406 N N 0.321 118.993 118.700 -0.048 0.000 2.571 1406 N HA -0.129 4.611 4.740 0.001 0.000 0.189 1406 N C 0.273 175.671 175.510 -0.186 0.000 1.154 1406 N CA 0.260 53.255 53.050 -0.091 0.000 0.907 1406 N CB 0.173 38.622 38.487 -0.064 0.000 0.977 1406 N HN 0.573 nan 8.380 nan 0.000 0.449 1407 Q N -0.070 119.610 119.800 -0.200 0.000 2.444 1407 Q HA 0.157 4.498 4.340 0.001 0.000 0.206 1407 Q C -0.708 175.050 176.000 -0.403 0.000 0.948 1407 Q CA 0.413 56.047 55.803 -0.282 0.000 0.946 1407 Q CB 0.402 29.008 28.738 -0.220 0.000 1.027 1407 Q HN 0.297 nan 8.270 nan 0.000 0.513 1408 N N -1.044 117.438 118.700 -0.364 0.000 2.292 1408 N HA 0.394 5.134 4.740 0.001 0.000 0.303 1408 N C -1.479 173.822 175.510 -0.347 0.000 1.140 1408 N CA -0.730 52.103 53.050 -0.362 0.000 0.788 1408 N CB 0.943 39.355 38.487 -0.126 0.000 1.361 1408 N HN 0.074 nan 8.380 nan 0.000 0.489 1409 W N 1.153 122.499 121.300 0.077 0.000 2.253 1409 W HA 0.251 4.912 4.660 0.001 0.000 0.322 1409 W C 1.049 177.651 176.519 0.139 0.000 1.342 1409 W CA -0.349 57.053 57.345 0.094 0.000 1.218 1409 W CB 0.453 29.954 29.460 0.068 0.000 1.205 1409 W HN 0.555 nan 8.180 nan 0.000 0.551 1410 S N 2.095 118.042 115.700 0.413 0.000 4.337 1410 S HA 0.962 5.432 4.470 0.001 0.000 0.207 1410 S C 0.457 175.255 174.600 0.330 0.000 1.031 1410 S CA -0.028 58.383 58.200 0.351 0.000 1.792 1410 S CB 0.898 64.331 63.200 0.389 0.000 0.767 1410 S HN 0.952 nan 8.310 nan 0.000 0.736 1411 G N -0.596 108.406 108.800 0.337 0.000 2.403 1411 G HA2 0.268 4.229 3.960 0.001 0.000 0.223 1411 G HA3 0.268 4.229 3.960 0.001 0.000 0.223 1411 G C -1.653 173.513 174.900 0.444 0.000 1.287 1411 G CA -0.759 44.533 45.100 0.320 0.000 0.982 1411 G HN 0.518 nan 8.290 nan 0.000 0.471 1412 Y N 1.655 122.085 120.300 0.217 0.000 2.550 1412 Y HA 0.492 5.042 4.550 0.001 0.000 0.343 1412 Y C 1.324 177.319 175.900 0.158 0.000 1.245 1412 Y CA -0.258 57.975 58.100 0.222 0.000 1.462 1412 Y CB 0.859 39.483 38.460 0.273 0.000 1.340 1412 Y HN 0.790 nan 8.280 nan 0.000 0.604 1413 S N 0.003 115.803 115.700 0.166 0.000 2.569 1413 S HA 0.959 5.430 4.470 0.001 0.000 0.280 1413 S C -0.377 174.040 174.600 -0.306 0.000 1.111 1413 S CA -0.488 57.595 58.200 -0.194 0.000 0.887 1413 S CB 2.348 65.546 63.200 -0.003 0.000 1.095 1413 S HN 0.993 nan 8.310 nan 0.000 0.476 1414 G N -0.380 107.854 108.800 -0.943 0.000 2.673 1414 G HA2 0.725 4.685 3.960 0.001 0.000 0.292 1414 G HA3 0.725 4.685 3.960 0.001 0.000 0.292 1414 G C -1.166 173.432 174.900 -0.505 0.000 1.450 1414 G CA -0.386 44.452 45.100 -0.437 0.000 0.837 1414 G HN 1.132 nan 8.290 nan 0.000 0.505 1415 A N -0.147 122.568 122.820 -0.174 0.000 2.304 1415 A HA 0.940 5.260 4.320 0.001 0.000 0.301 1415 A C -0.621 177.169 177.584 0.344 0.000 1.132 1415 A CA -0.409 51.586 52.037 -0.070 0.000 0.819 1415 A CB 0.343 19.246 19.000 -0.161 0.000 1.094 1415 A HN 1.875 nan 8.150 nan 0.000 0.492 1416 F N -0.522 119.553 119.950 0.208 0.000 2.668 1416 F HA 0.814 5.341 4.527 0.001 0.000 0.309 1416 F C -1.341 174.526 175.800 0.112 0.000 1.117 1416 F CA -1.544 56.574 58.000 0.197 0.000 0.951 1416 F CB 0.961 40.065 39.000 0.174 0.000 1.323 1416 F HN 0.404 nan 8.300 nan 0.000 0.451 1417 I N 1.478 121.997 120.570 -0.085 0.000 2.608 1417 I HA 0.251 4.421 4.170 0.001 0.000 0.295 1417 I C -1.038 174.874 176.117 -0.342 0.000 1.049 1417 I CA -0.801 60.181 61.300 -0.531 0.000 1.063 1417 I CB 2.002 39.345 38.000 -1.094 0.000 1.248 1417 I HN 0.631 nan 8.210 nan 0.000 0.424 1418 D N 4.677 124.977 120.400 -0.166 0.000 2.498 1418 D HA 0.053 4.693 4.640 0.001 0.000 0.229 1418 D C 0.694 176.961 176.300 -0.055 0.000 1.188 1418 D CA 0.177 54.231 54.000 0.090 0.000 1.028 1418 D CB 0.059 40.956 40.800 0.161 0.000 1.087 1418 D HN 0.300 nan 8.370 nan 0.000 0.510 1419 Y N 0.608 120.806 120.300 -0.169 0.000 2.569 1419 Y HA -0.101 4.450 4.550 0.001 0.000 0.293 1419 Y C 1.551 177.152 175.900 -0.498 0.000 1.144 1419 Y CA 0.526 58.244 58.100 -0.636 0.000 1.321 1419 Y CB -0.014 37.681 38.460 -1.276 0.000 0.982 1419 Y HN 0.530 nan 8.280 nan 0.000 0.558 1420 W N 0.035 121.471 121.300 0.227 0.000 3.330 1420 W HA 0.514 5.175 4.660 0.001 0.000 0.348 1420 W C 0.728 177.328 176.519 0.135 0.000 1.205 1420 W CA -0.402 57.050 57.345 0.178 0.000 1.841 1420 W CB -0.476 29.056 29.460 0.119 0.000 1.084 1420 W HN -0.131 nan 8.180 nan 0.000 0.665 1421 A N 1.468 124.444 122.820 0.260 0.000 2.520 1421 A HA -0.109 4.211 4.320 0.001 0.000 0.235 1421 A C 0.658 178.329 177.584 0.144 0.000 1.065 1421 A CA 0.191 52.331 52.037 0.172 0.000 0.764 1421 A CB -0.084 18.986 19.000 0.117 0.000 1.002 1421 A HN 0.370 nan 8.150 nan 0.000 0.502 1422 N N 1.308 120.071 118.700 0.105 0.000 3.050 1422 N HA 0.203 4.943 4.740 0.001 0.000 0.289 1422 N C -0.580 174.959 175.510 0.048 0.000 1.209 1422 N CA 0.118 53.215 53.050 0.077 0.000 1.154 1422 N CB -0.238 38.287 38.487 0.063 0.000 1.444 1422 N HN 0.529 nan 8.380 nan 0.000 0.529 1423 K N 0.291 120.716 120.400 0.042 0.000 2.536 1423 K HA 0.200 4.521 4.320 0.001 0.000 0.269 1423 K C 0.033 176.618 176.600 -0.025 0.000 0.965 1423 K CA -0.647 55.645 56.287 0.008 0.000 0.860 1423 K CB 1.476 33.983 32.500 0.012 0.000 1.423 1423 K HN 0.160 nan 8.250 nan 0.000 0.438 1424 E N 0.086 120.256 120.200 -0.050 0.000 2.489 1424 E HA 0.044 4.394 4.350 0.001 0.000 0.193 1424 E C 0.046 176.554 176.600 -0.154 0.000 1.057 1424 E CA 0.216 56.566 56.400 -0.083 0.000 0.866 1424 E CB 0.103 29.767 29.700 -0.060 0.000 0.916 1424 E HN 0.534 nan 8.360 nan 0.000 0.500 1425 c N -1.054 117.455 118.600 -0.152 0.000 2.994 1425 c HA 0.663 5.233 4.570 0.001 0.000 0.304 1425 c C -0.535 173.473 174.090 -0.137 0.000 1.273 1425 c CA -1.374 54.832 56.329 -0.205 0.000 1.537 1425 c CB 0.284 42.729 42.510 -0.108 0.000 2.001 1425 c HN -0.068 nan 8.230 nan 0.000 0.471 1426 F N 2.524 122.461 119.950 -0.023 0.000 2.413 1426 F HA 0.366 4.894 4.527 0.001 0.000 0.359 1426 F C 0.957 176.665 175.800 -0.153 0.000 1.122 1426 F CA -0.505 57.446 58.000 -0.081 0.000 1.160 1426 F CB 0.082 39.078 39.000 -0.008 0.000 1.146 1426 F HN 0.711 nan 8.300 nan 0.000 0.514 1427 N N 5.314 124.002 118.700 -0.020 0.000 2.422 1427 N HA 0.214 4.955 4.740 0.001 0.000 0.264 1427 N C -2.645 172.660 175.510 -0.341 0.000 1.063 1427 N CA -1.496 51.449 53.050 -0.176 0.000 0.959 1427 N CB 1.043 39.440 38.487 -0.150 0.000 1.087 1427 N HN 0.145 nan 8.380 nan 0.000 0.483 1428 P HA 0.035 nan 4.420 nan 0.000 0.266 1428 P C -0.671 176.296 177.300 -0.555 0.000 1.195 1428 P CA -0.144 62.388 63.100 -0.948 0.000 0.768 1428 P CB 0.581 31.360 31.700 -1.534 0.000 0.838 1429 c N 2.799 121.064 118.600 -0.558 0.000 3.080 1429 c HA 0.843 5.413 4.570 0.001 0.000 0.307 1429 c C -0.588 173.267 174.090 -0.392 0.000 1.311 1429 c CA -0.349 55.623 56.329 -0.595 0.000 1.533 1429 c CB 1.033 42.651 42.510 -1.486 0.000 1.970 1429 c HN 0.681 nan 8.230 nan 0.000 0.467 1430 F N -0.019 119.665 119.950 -0.444 0.000 2.668 1430 F HA 0.792 5.320 4.527 0.001 0.000 0.309 1430 F C -1.241 174.547 175.800 -0.020 0.000 1.117 1430 F CA -1.169 56.587 58.000 -0.405 0.000 0.951 1430 F CB 0.890 39.266 39.000 -1.039 0.000 1.323 1430 F HN 0.729 nan 8.300 nan 0.000 0.451 1431 Y N 0.328 120.632 120.300 0.006 0.000 2.549 1431 Y HA 0.888 5.438 4.550 0.001 0.000 0.339 1431 Y C -1.795 174.116 175.900 0.017 0.000 1.053 1431 Y CA -1.847 56.212 58.100 -0.068 0.000 1.105 1431 Y CB 1.650 40.111 38.460 0.001 0.000 1.258 1431 Y HN 0.585 nan 8.280 nan 0.000 0.478 1432 V N 2.115 122.066 119.914 0.062 0.000 2.588 1432 V HA 0.313 4.434 4.120 0.001 0.000 0.304 1432 V C -0.575 175.664 176.094 0.241 0.000 1.042 1432 V CA -1.076 61.240 62.300 0.028 0.000 0.877 1432 V CB 1.533 33.297 31.823 -0.098 0.000 0.996 1432 V HN 0.901 nan 8.190 nan 0.000 0.425 1433 E N 4.348 124.732 120.200 0.307 0.000 2.194 1433 E HA 0.424 4.774 4.350 0.001 0.000 0.284 1433 E C -1.216 175.520 176.600 0.226 0.000 1.035 1433 E CA -0.565 56.001 56.400 0.278 0.000 0.836 1433 E CB 0.972 30.851 29.700 0.298 0.000 1.070 1433 E HN 0.666 nan 8.360 nan 0.000 0.401 1434 L N 6.963 128.308 121.223 0.202 0.000 2.314 1434 L HA 0.364 4.705 4.340 0.001 0.000 0.275 1434 L C -0.115 176.875 176.870 0.201 0.000 1.068 1434 L CA -0.495 54.477 54.840 0.220 0.000 0.894 1434 L CB 0.242 42.429 42.059 0.213 0.000 1.275 1434 L HN 0.521 nan 8.230 nan 0.000 0.432 1435 I N 3.780 124.468 120.570 0.197 0.000 2.471 1435 I HA 0.207 4.377 4.170 0.001 0.000 0.286 1435 I C 0.311 176.494 176.117 0.110 0.000 1.079 1435 I CA -0.101 61.273 61.300 0.124 0.000 1.398 1435 I CB 0.234 38.266 38.000 0.054 0.000 1.403 1435 I HN 0.506 nan 8.210 nan 0.000 0.530 1436 R N 4.247 124.808 120.500 0.102 0.000 2.832 1436 R HA 0.758 5.098 4.340 0.001 0.000 0.271 1436 R C 0.352 176.581 176.300 -0.118 0.000 0.996 1436 R CA -0.357 55.773 56.100 0.050 0.000 0.977 1436 R CB 1.312 31.735 30.300 0.204 0.000 1.168 1436 R HN 0.870 nan 8.270 nan 0.000 0.482 1437 G N 1.594 110.110 108.800 -0.473 0.000 2.512 1437 G HA2 -0.295 3.666 3.960 0.001 0.000 0.254 1437 G HA3 -0.295 3.666 3.960 0.001 0.000 0.254 1437 G C -0.649 173.969 174.900 -0.469 0.000 1.199 1437 G CA -0.371 44.285 45.100 -0.740 0.000 0.941 1437 G HN 0.527 nan 8.290 nan 0.000 0.569 1438 R N 1.559 121.834 120.500 -0.376 0.000 2.615 1438 R HA 0.364 4.705 4.340 0.001 0.000 0.270 1438 R C -1.223 174.938 176.300 -0.231 0.000 1.081 1438 R CA -0.826 55.108 56.100 -0.277 0.000 1.154 1438 R CB 0.826 31.007 30.300 -0.198 0.000 1.063 1438 R HN 0.442 nan 8.270 nan 0.000 0.519 1439 P HA -0.024 nan 4.420 nan 0.000 0.240 1439 P C 0.321 177.455 177.300 -0.277 0.000 1.190 1439 P CA 0.699 63.675 63.100 -0.207 0.000 0.781 1439 P CB 0.371 31.986 31.700 -0.143 0.000 0.931 1440 K N 0.834 120.975 120.400 -0.431 0.000 2.103 1440 K HA -0.068 4.252 4.320 0.001 0.000 0.207 1440 K C 0.602 176.921 176.600 -0.468 0.000 1.048 1440 K CA 1.079 56.988 56.287 -0.629 0.000 0.930 1440 K CB -0.260 31.393 32.500 -1.411 0.000 0.716 1440 K HN 0.409 nan 8.250 nan 0.000 0.444 1441 E N 0.374 120.312 120.200 -0.435 0.000 2.183 1441 E HA 0.113 4.463 4.350 0.001 0.000 0.250 1441 E C -0.124 176.295 176.600 -0.301 0.000 0.901 1441 E CA -0.224 55.996 56.400 -0.299 0.000 0.741 1441 E CB 1.191 30.714 29.700 -0.294 0.000 1.182 1441 E HN 0.037 nan 8.360 nan 0.000 0.425 1442 S N 0.153 115.727 115.700 -0.210 0.000 2.556 1442 S HA -0.072 4.398 4.470 0.001 0.000 0.216 1442 S C 1.632 176.135 174.600 -0.161 0.000 0.970 1442 S CA -0.111 57.976 58.200 -0.189 0.000 0.912 1442 S CB 0.113 63.233 63.200 -0.133 0.000 0.790 1442 S HN 0.361 nan 8.310 nan 0.000 0.504 1443 S N 1.334 116.941 115.700 -0.154 0.000 2.607 1443 S HA 0.159 4.630 4.470 0.001 0.000 0.224 1443 S C 0.657 175.174 174.600 -0.139 0.000 0.969 1443 S CA 0.123 58.258 58.200 -0.108 0.000 0.927 1443 S CB -0.824 62.338 63.200 -0.064 0.000 0.772 1443 S HN 0.686 nan 8.310 nan 0.000 0.533 1444 V N -2.114 117.629 119.914 -0.286 0.000 2.960 1444 V HA 0.580 4.701 4.120 0.001 0.000 0.315 1444 V C 0.718 176.569 176.094 -0.406 0.000 1.087 1444 V CA -1.101 60.942 62.300 -0.428 0.000 0.982 1444 V CB 1.450 32.679 31.823 -0.991 0.000 1.039 1444 V HN 0.175 nan 8.190 nan 0.000 0.437 1445 L N 1.296 122.360 121.223 -0.265 0.000 2.567 1445 L HA 0.255 4.595 4.340 0.001 0.000 0.225 1445 L C 0.657 177.510 176.870 -0.028 0.000 1.119 1445 L CA 0.176 54.960 54.840 -0.092 0.000 0.871 1445 L CB -0.058 42.027 42.059 0.043 0.000 1.036 1445 L HN 0.793 nan 8.230 nan 0.000 0.459 1446 W N -1.003 120.271 121.300 -0.043 0.000 2.671 1446 W HA 0.627 5.288 4.660 0.001 0.000 0.360 1446 W C -0.776 175.695 176.519 -0.079 0.000 1.128 1446 W CA -0.795 56.520 57.345 -0.049 0.000 1.184 1446 W CB 0.500 29.930 29.460 -0.050 0.000 1.415 1446 W HN -0.375 nan 8.180 nan 0.000 0.604 1447 T N 1.524 116.264 114.554 0.310 0.000 2.861 1447 T HA 0.483 4.834 4.350 0.001 0.000 0.287 1447 T C -0.792 174.100 174.700 0.320 0.000 1.003 1447 T CA -0.276 61.960 62.100 0.227 0.000 0.977 1447 T CB 2.127 71.028 68.868 0.054 0.000 0.996 1447 T HN 0.531 nan 8.240 nan 0.000 0.448 1448 S N 1.713 117.611 115.700 0.329 0.000 2.800 1448 S HA 0.784 5.255 4.470 0.001 0.000 0.293 1448 S C -1.750 172.928 174.600 0.129 0.000 1.209 1448 S CA -0.765 57.527 58.200 0.154 0.000 0.884 1448 S CB 1.242 64.440 63.200 -0.004 0.000 1.244 1448 S HN 1.045 nan 8.310 nan 0.000 0.540 1449 N N -0.825 117.921 118.700 0.077 0.000 2.927 1449 N HA 0.645 5.385 4.740 0.001 0.000 0.248 1449 N C -1.184 174.377 175.510 0.084 0.000 1.443 1449 N CA -0.345 52.763 53.050 0.096 0.000 0.870 1449 N CB 1.491 40.033 38.487 0.093 0.000 1.444 1449 N HN 0.685 nan 8.380 nan 0.000 0.519 1450 S N -0.462 115.307 115.700 0.115 0.000 2.810 1450 S HA 0.757 5.228 4.470 0.001 0.000 0.315 1450 S C -0.865 173.815 174.600 0.134 0.000 1.138 1450 S CA -0.902 57.367 58.200 0.114 0.000 0.889 1450 S CB 0.767 64.030 63.200 0.106 0.000 1.236 1450 S HN 0.575 nan 8.310 nan 0.000 0.548 1451 I N 0.892 121.536 120.570 0.123 0.000 2.498 1451 I HA 0.620 4.791 4.170 0.001 0.000 0.290 1451 I C -0.954 175.198 176.117 0.059 0.000 1.032 1451 I CA -1.085 60.276 61.300 0.101 0.000 1.073 1451 I CB 1.950 39.984 38.000 0.056 0.000 1.251 1451 I HN 0.482 nan 8.210 nan 0.000 0.426 1452 V N 5.318 125.258 119.914 0.044 0.000 2.715 1452 V HA 0.930 5.050 4.120 0.001 0.000 0.310 1452 V C -0.573 175.439 176.094 -0.136 0.000 1.054 1452 V CA -0.206 62.054 62.300 -0.067 0.000 0.928 1452 V CB 1.833 33.624 31.823 -0.052 0.000 1.007 1452 V HN 0.887 nan 8.190 nan 0.000 0.437 1453 A N 5.969 128.643 122.820 -0.244 0.000 2.449 1453 A HA 0.945 5.266 4.320 0.001 0.000 0.302 1453 A C -1.838 175.495 177.584 -0.419 0.000 1.048 1453 A CA -0.539 51.349 52.037 -0.248 0.000 0.708 1453 A CB 1.670 20.673 19.000 0.005 0.000 1.274 1453 A HN 0.789 nan 8.150 nan 0.000 0.410 1454 L N 0.415 121.257 121.223 -0.636 0.000 2.424 1454 L HA 0.711 5.052 4.340 0.001 0.000 0.258 1454 L C -0.528 176.081 176.870 -0.435 0.000 0.995 1454 L CA -0.170 54.328 54.840 -0.571 0.000 0.821 1454 L CB 2.097 43.830 42.059 -0.543 0.000 1.383 1454 L HN 0.818 nan 8.230 nan 0.000 0.410 1455 c N -0.099 118.212 118.600 -0.482 0.000 2.913 1455 c HA 0.877 5.447 4.570 0.001 0.000 0.322 1455 c C 0.720 174.583 174.090 -0.378 0.000 1.292 1455 c CA -0.915 55.196 56.329 -0.363 0.000 1.649 1455 c CB 1.720 43.967 42.510 -0.439 0.000 2.139 1455 c HN 0.947 nan 8.230 nan 0.000 0.475 1456 G N 0.693 109.179 108.800 -0.523 0.000 2.539 1456 G HA2 0.494 4.455 3.960 0.001 0.000 0.258 1456 G HA3 0.494 4.455 3.960 0.001 0.000 0.258 1456 G C -0.540 174.126 174.900 -0.390 0.000 1.202 1456 G CA 0.166 44.734 45.100 -0.887 0.000 0.851 1456 G HN 0.846 nan 8.290 nan 0.000 0.556 1457 S N -0.351 115.111 115.700 -0.398 0.000 2.541 1457 S HA 0.359 4.830 4.470 0.001 0.000 0.280 1457 S C 0.791 175.280 174.600 -0.185 0.000 1.112 1457 S CA -0.753 57.350 58.200 -0.163 0.000 0.925 1457 S CB 1.899 65.070 63.200 -0.048 0.000 1.067 1457 S HN 0.585 nan 8.310 nan 0.000 0.479 1458 K N 1.444 121.776 120.400 -0.113 0.000 2.366 1458 K HA 0.104 4.425 4.320 0.001 0.000 0.198 1458 K C 0.323 176.897 176.600 -0.043 0.000 1.044 1458 K CA 0.668 56.910 56.287 -0.076 0.000 0.973 1458 K CB 0.107 32.573 32.500 -0.057 0.000 0.767 1458 K HN 0.393 nan 8.250 nan 0.000 0.475 1459 K N 0.796 121.172 120.400 -0.040 0.000 2.127 1459 K HA 0.186 4.507 4.320 0.001 0.000 0.240 1459 K C 0.006 176.609 176.600 0.004 0.000 1.024 1459 K CA -0.376 55.902 56.287 -0.015 0.000 0.918 1459 K CB 0.538 33.028 32.500 -0.016 0.000 1.108 1459 K HN -0.096 nan 8.250 nan 0.000 0.485 1460 R N 1.666 122.180 120.500 0.024 0.000 2.280 1460 R HA 0.341 4.681 4.340 0.001 0.000 0.326 1460 R C -0.137 176.194 176.300 0.052 0.000 1.080 1460 R CA -0.339 55.792 56.100 0.050 0.000 1.002 1460 R CB -0.219 30.115 30.300 0.057 0.000 1.136 1460 R HN 0.421 nan 8.270 nan 0.000 0.509 1461 L N 1.180 122.443 121.223 0.068 0.000 2.343 1461 L HA 0.450 4.790 4.340 0.001 0.000 0.275 1461 L C 1.321 178.247 176.870 0.093 0.000 1.056 1461 L CA -0.731 54.153 54.840 0.073 0.000 0.804 1461 L CB 1.410 43.525 42.059 0.094 0.000 1.203 1461 L HN 0.542 nan 8.230 nan 0.000 0.440 1462 G N 0.962 109.801 108.800 0.064 0.000 2.634 1462 G HA2 0.452 4.413 3.960 0.001 0.000 0.255 1462 G HA3 0.452 4.413 3.960 0.001 0.000 0.255 1462 G C -0.283 174.677 174.900 0.101 0.000 1.205 1462 G CA -0.041 45.096 45.100 0.061 0.000 0.884 1462 G HN 0.699 nan 8.290 nan 0.000 0.549 1463 S N -0.902 114.867 115.700 0.116 0.000 2.705 1463 S HA 0.826 5.296 4.470 0.001 0.000 0.280 1463 S C -1.378 173.344 174.600 0.203 0.000 1.174 1463 S CA -0.729 57.589 58.200 0.196 0.000 0.823 1463 S CB 2.058 65.438 63.200 0.299 0.000 1.162 1463 S HN 1.630 nan 8.310 nan 0.000 0.487 1464 W N -0.458 120.794 121.300 -0.081 0.000 3.025 1464 W HA 0.749 5.409 4.660 0.001 0.000 0.343 1464 W C -0.873 175.441 176.519 -0.343 0.000 1.246 1464 W CA -1.250 55.965 57.345 -0.218 0.000 1.178 1464 W CB 0.572 29.859 29.460 -0.288 0.000 1.463 1464 W HN 0.856 nan 8.180 nan 0.000 0.578 1465 S N 0.563 116.176 115.700 -0.144 0.000 2.533 1465 S HA 0.212 4.682 4.470 0.001 0.000 0.282 1465 S C -0.919 173.354 174.600 -0.545 0.000 1.304 1465 S CA 0.102 58.221 58.200 -0.134 0.000 1.063 1465 S CB -0.054 63.220 63.200 0.123 0.000 0.881 1465 S HN 0.402 nan 8.310 nan 0.000 0.493 1466 W N 5.181 126.422 121.300 -0.098 0.000 1.788 1466 W HA 0.286 4.947 4.660 0.001 0.000 0.318 1466 W C 0.522 176.951 176.519 -0.150 0.000 0.785 1466 W CA -0.948 56.271 57.345 -0.209 0.000 2.625 1466 W CB -0.217 29.224 29.460 -0.032 0.000 2.210 1466 W HN 0.823 nan 8.180 nan 0.000 0.591 1467 H N -2.445 116.673 119.070 0.080 0.000 2.639 1467 H HA 0.096 4.652 4.556 0.001 0.000 0.373 1467 H C 1.300 176.691 175.328 0.106 0.000 1.372 1467 H CA 0.270 56.367 56.048 0.083 0.000 1.448 1467 H CB 0.868 30.633 29.762 0.006 0.000 1.544 1467 H HN 0.087 nan 8.280 nan 0.000 0.615 1468 D N -0.559 119.994 120.400 0.256 0.000 2.084 1468 D HA -0.077 4.563 4.640 0.001 0.000 0.194 1468 D C 1.767 178.171 176.300 0.173 0.000 0.990 1468 D CA 2.542 56.662 54.000 0.199 0.000 0.826 1468 D CB -0.478 40.454 40.800 0.220 0.000 0.971 1468 D HN 0.965 nan 8.370 nan 0.000 0.453 1469 G N -0.892 108.050 108.800 0.238 0.000 2.175 1469 G HA2 -0.141 3.819 3.960 0.001 0.000 0.244 1469 G HA3 -0.141 3.819 3.960 0.001 0.000 0.244 1469 G C 0.368 175.385 174.900 0.196 0.000 0.982 1469 G CA 0.456 45.681 45.100 0.208 0.000 0.641 1469 G HN 0.751 nan 8.290 nan 0.000 0.527 1470 A N -0.004 122.950 122.820 0.224 0.000 2.322 1470 A HA 0.659 4.980 4.320 0.001 0.000 0.269 1470 A C 0.269 177.998 177.584 0.243 0.000 1.094 1470 A CA -0.175 52.035 52.037 0.287 0.000 0.807 1470 A CB 0.483 19.703 19.000 0.366 0.000 1.047 1470 A HN 0.219 nan 8.150 nan 0.000 0.487 1471 E N 1.833 122.177 120.200 0.241 0.000 2.081 1471 E HA 0.176 4.527 4.350 0.001 0.000 0.276 1471 E C 0.388 177.095 176.600 0.178 0.000 0.950 1471 E CA -0.480 55.934 56.400 0.024 0.000 0.776 1471 E CB 1.402 30.797 29.700 -0.508 0.000 1.094 1471 E HN 0.587 nan 8.360 nan 0.000 0.402 1472 I N 3.306 123.979 120.570 0.171 0.000 2.335 1472 I HA -0.233 3.938 4.170 0.001 0.000 0.251 1472 I C 1.894 178.148 176.117 0.228 0.000 1.129 1472 I CA 0.828 62.270 61.300 0.238 0.000 1.402 1472 I CB -0.095 37.950 38.000 0.075 0.000 1.069 1472 I HN 0.578 nan 8.210 nan 0.000 0.424 1473 I N -0.518 120.080 120.570 0.047 0.000 2.361 1473 I HA -0.362 3.808 4.170 0.001 0.000 0.251 1473 I C 2.020 178.214 176.117 0.128 0.000 1.133 1473 I CA 1.604 62.919 61.300 0.025 0.000 1.413 1473 I CB -0.302 37.648 38.000 -0.082 0.000 1.073 1473 I HN 0.273 nan 8.210 nan 0.000 0.424 1474 Y N -1.158 119.214 120.300 0.120 0.000 2.384 1474 Y HA -0.243 4.307 4.550 0.001 0.000 0.289 1474 Y C 1.659 177.490 175.900 -0.115 0.000 1.152 1474 Y CA 0.521 58.600 58.100 -0.035 0.000 1.258 1474 Y CB -0.209 38.160 38.460 -0.152 0.000 0.979 1474 Y HN 0.160 nan 8.280 nan 0.000 0.549 1475 F N -0.437 119.671 119.950 0.263 0.000 2.721 1475 F HA 0.096 4.623 4.527 0.001 0.000 0.301 1475 F C 0.981 176.889 175.800 0.181 0.000 1.096 1475 F CA -0.351 57.806 58.000 0.260 0.000 1.308 1475 F CB 0.068 39.318 39.000 0.417 0.000 1.086 1475 F HN -0.063 nan 8.300 nan 0.000 0.587 1476 E N 0.000 120.366 120.200 0.276 0.000 2.725 1476 E HA 0.000 4.351 4.350 0.001 0.000 0.291 1476 E CA 0.000 56.495 56.400 0.158 0.000 0.976 1476 E CB 0.000 29.762 29.700 0.104 0.000 0.812 1476 E HN 0.000 nan 8.360 nan 0.000 0.440