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 1w20_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 0.000 176.295 176.300 -0.008 0.000 0.893 1088 R CA 0.000 56.108 56.100 0.013 0.000 0.921 1088 R CB 0.000 30.323 30.300 0.039 0.000 0.687 1089 T N -0.720 113.855 114.554 0.035 0.000 2.868 1089 T HA 0.535 4.885 4.350 0.000 0.000 0.306 1089 T C -1.284 173.479 174.700 0.105 0.000 1.224 1089 T CA -0.619 61.486 62.100 0.009 0.000 1.012 1089 T CB 0.472 69.387 68.868 0.079 0.000 1.221 1089 T HN 0.056 nan 8.240 nan 0.000 0.499 1090 F N 2.702 122.736 119.950 0.139 0.000 2.578 1090 F HA 0.266 4.793 4.527 0.000 0.000 0.381 1090 F C 0.830 176.710 175.800 0.133 0.000 1.069 1090 F CA -0.790 57.294 58.000 0.140 0.000 1.231 1090 F CB 0.552 39.592 39.000 0.068 0.000 1.086 1090 F HN 0.376 nan 8.300 nan 0.000 0.564 1091 L N 5.504 126.972 121.223 0.408 0.000 2.453 1091 L HA 0.148 4.488 4.340 0.000 0.000 0.272 1091 L C -0.592 176.317 176.870 0.065 0.000 1.182 1091 L CA 0.030 54.991 54.840 0.202 0.000 0.858 1091 L CB 0.098 42.213 42.059 0.092 0.000 1.120 1091 L HN 0.445 nan 8.230 nan 0.000 0.474 1092 N N 5.202 123.943 118.700 0.068 0.000 2.372 1092 N HA 0.324 5.064 4.740 0.000 0.000 0.291 1092 N C -0.355 175.331 175.510 0.294 0.000 1.024 1092 N CA -0.406 52.695 53.050 0.085 0.000 0.873 1092 N CB 1.770 40.296 38.487 0.064 0.000 1.206 1092 N HN 0.650 nan 8.380 nan 0.000 0.486 1093 L N 1.416 122.946 121.223 0.511 0.000 2.930 1093 L HA 0.057 4.398 4.340 0.000 0.000 0.250 1093 L C 1.570 178.694 176.870 0.422 0.000 1.320 1093 L CA 0.077 55.188 54.840 0.451 0.000 1.163 1093 L CB -1.096 41.079 42.059 0.194 0.000 1.542 1093 L HN 0.628 nan 8.230 nan 0.000 0.428 1094 T N -4.051 110.693 114.554 0.316 0.000 3.014 1094 T HA 0.001 4.351 4.350 0.000 0.000 0.263 1094 T C 0.980 175.655 174.700 -0.042 0.000 1.078 1094 T CA 0.152 62.330 62.100 0.130 0.000 1.135 1094 T CB 0.062 68.993 68.868 0.105 0.000 0.895 1094 T HN 0.250 nan 8.240 nan 0.000 0.480 1095 K N 2.913 123.117 120.400 -0.327 0.000 2.202 1095 K HA 0.329 4.649 4.320 0.000 0.000 0.264 1095 K C -2.462 173.854 176.600 -0.474 0.000 1.010 1095 K CA -2.026 53.872 56.287 -0.649 0.000 0.940 1095 K CB 0.468 32.192 32.500 -1.293 0.000 0.983 1095 K HN 0.221 nan 8.250 nan 0.000 0.475 1096 P HA 0.142 nan 4.420 nan 0.000 0.278 1096 P C -0.435 176.845 177.300 -0.034 0.000 1.266 1096 P CA -0.487 62.570 63.100 -0.072 0.000 0.807 1096 P CB 0.728 32.402 31.700 -0.042 0.000 1.094 1097 L N 0.586 121.871 121.223 0.102 0.000 2.426 1097 L HA 0.117 4.457 4.340 0.000 0.000 0.271 1097 L C 0.663 177.548 176.870 0.024 0.000 1.169 1097 L CA -0.318 54.594 54.840 0.120 0.000 0.836 1097 L CB 0.378 42.539 42.059 0.171 0.000 1.112 1097 L HN 0.450 nan 8.230 nan 0.000 0.465 1098 c N 2.350 120.939 118.600 -0.018 0.000 2.676 1098 c HA 0.025 4.595 4.570 0.000 0.000 0.416 1098 c C 0.845 174.903 174.090 -0.054 0.000 1.299 1098 c CA -0.603 55.694 56.329 -0.054 0.000 2.048 1098 c CB -0.016 42.440 42.510 -0.090 0.000 2.713 1098 c HN 0.710 nan 8.230 nan 0.000 0.624 1099 E N 1.104 121.280 120.200 -0.040 0.000 2.415 1099 E HA 0.267 4.617 4.350 0.000 0.000 0.263 1099 E C -1.145 175.414 176.600 -0.068 0.000 0.995 1099 E CA 0.057 56.445 56.400 -0.019 0.000 0.915 1099 E CB 0.525 30.220 29.700 -0.010 0.000 0.951 1099 E HN 0.522 nan 8.360 nan 0.000 0.449 1100 V N 5.625 125.528 119.914 -0.019 0.000 2.483 1100 V HA 0.201 4.321 4.120 0.000 0.000 0.297 1100 V C 0.173 176.334 176.094 0.112 0.000 1.027 1100 V CA -0.780 61.419 62.300 -0.170 0.000 0.855 1100 V CB 1.619 33.110 31.823 -0.554 0.000 0.995 1100 V HN 0.746 nan 8.190 nan 0.000 0.424 1101 N N 1.922 120.597 118.700 -0.041 0.000 2.257 1101 N HA 0.148 4.888 4.740 0.000 0.000 0.200 1101 N C 0.379 175.970 175.510 0.136 0.000 1.163 1101 N CA 0.565 53.722 53.050 0.179 0.000 0.891 1101 N CB 1.348 39.889 38.487 0.089 0.000 1.067 1101 N HN 0.798 nan 8.380 nan 0.000 0.497 1102 S N -1.128 114.398 115.700 -0.290 0.000 2.661 1102 S HA 0.595 5.065 4.470 0.000 0.000 0.268 1102 S C -2.213 171.967 174.600 -0.701 0.000 1.162 1102 S CA -0.934 57.079 58.200 -0.312 0.000 0.817 1102 S CB 1.081 64.281 63.200 0.000 0.000 1.141 1102 S HN 0.131 nan 8.310 nan 0.000 0.477 1103 W N 1.279 122.531 121.300 -0.080 0.000 2.600 1103 W HA 0.624 5.284 4.660 0.000 0.000 0.325 1103 W C -0.126 176.408 176.519 0.025 0.000 1.034 1103 W CA -0.298 56.999 57.345 -0.079 0.000 1.226 1103 W CB 1.202 30.665 29.460 0.006 0.000 1.379 1103 W HN 1.002 nan 8.180 nan 0.000 0.466 1104 H N 0.655 119.805 119.070 0.132 0.000 2.499 1104 H HA 0.638 5.194 4.556 0.000 0.000 0.340 1104 H C -0.569 174.769 175.328 0.016 0.000 1.148 1104 H CA -1.303 54.793 56.048 0.081 0.000 1.215 1104 H CB 1.242 31.009 29.762 0.008 0.000 1.529 1104 H HN 0.381 nan 8.280 nan 0.000 0.510 1105 I N 3.341 123.958 120.570 0.078 0.000 2.618 1105 I HA -0.016 4.154 4.170 0.000 0.000 0.284 1105 I C 0.203 176.264 176.117 -0.093 0.000 1.146 1105 I CA -0.019 61.140 61.300 -0.236 0.000 1.425 1105 I CB 0.229 37.952 38.000 -0.463 0.000 1.383 1105 I HN 0.826 nan 8.210 nan 0.000 0.562 1106 L N 5.833 126.916 121.223 -0.233 0.000 2.435 1106 L HA 0.447 4.788 4.340 0.000 0.000 0.195 1106 L C 0.551 177.363 176.870 -0.097 0.000 1.072 1106 L CA 0.864 55.652 54.840 -0.088 0.000 0.833 1106 L CB -0.020 41.987 42.059 -0.087 0.000 1.081 1106 L HN 0.666 nan 8.230 nan 0.000 0.485 1107 S N -0.957 114.639 115.700 -0.174 0.000 2.588 1107 S HA 0.575 5.045 4.470 0.000 0.000 0.269 1107 S C -1.593 172.899 174.600 -0.180 0.000 1.157 1107 S CA -0.770 57.347 58.200 -0.138 0.000 0.824 1107 S CB 1.138 64.284 63.200 -0.091 0.000 1.126 1107 S HN 0.153 nan 8.310 nan 0.000 0.464 1108 K N 1.425 121.766 120.400 -0.098 0.000 2.575 1108 K HA 0.253 4.573 4.320 0.000 0.000 0.255 1108 K C -1.005 175.610 176.600 0.025 0.000 0.953 1108 K CA -0.406 55.852 56.287 -0.047 0.000 0.840 1108 K CB 0.995 33.471 32.500 -0.040 0.000 1.303 1108 K HN 0.698 nan 8.250 nan 0.000 0.438 1109 D N 2.757 123.193 120.400 0.060 0.000 2.366 1109 D HA -0.041 4.599 4.640 0.000 0.000 0.205 1109 D C -0.151 176.197 176.300 0.080 0.000 1.022 1109 D CA 0.231 54.287 54.000 0.093 0.000 0.868 1109 D CB 0.069 40.971 40.800 0.170 0.000 0.953 1109 D HN 0.643 nan 8.370 nan 0.000 0.514 1110 N N 0.335 119.086 118.700 0.085 0.000 2.708 1110 N HA -0.232 4.509 4.740 0.000 0.000 0.249 1110 N C 1.113 176.667 175.510 0.074 0.000 1.097 1110 N CA 0.755 53.858 53.050 0.088 0.000 0.710 1110 N CB -1.283 37.255 38.487 0.085 0.000 1.032 1110 N HN 0.465 nan 8.380 nan 0.000 0.551 1111 A N 0.373 123.229 122.820 0.059 0.000 1.917 1111 A HA -0.175 4.145 4.320 0.000 0.000 0.219 1111 A C 2.188 179.785 177.584 0.021 0.000 1.182 1111 A CA 1.413 53.457 52.037 0.011 0.000 0.633 1111 A CB -0.106 18.883 19.000 -0.018 0.000 0.819 1111 A HN 0.348 nan 8.150 nan 0.000 0.448 1112 I N -0.768 119.842 120.570 0.067 0.000 2.286 1112 I HA -0.137 4.033 4.170 0.000 0.000 0.245 1112 I C 2.541 178.805 176.117 0.245 0.000 1.104 1112 I CA 1.253 62.617 61.300 0.107 0.000 1.397 1112 I CB -1.403 36.673 38.000 0.127 0.000 1.072 1112 I HN 0.339 nan 8.210 nan 0.000 0.417 1113 R N 0.691 121.313 120.500 0.204 0.000 2.083 1113 R HA -0.137 4.203 4.340 0.000 0.000 0.237 1113 R C 2.373 178.750 176.300 0.128 0.000 1.137 1113 R CA 1.475 57.695 56.100 0.199 0.000 0.951 1113 R CB -0.302 30.088 30.300 0.150 0.000 0.851 1113 R HN 0.293 nan 8.270 nan 0.000 0.434 1114 I N -0.466 120.153 120.570 0.081 0.000 2.202 1114 I HA -0.144 4.026 4.170 0.000 0.000 0.242 1114 I C 2.419 178.548 176.117 0.020 0.000 1.091 1114 I CA 1.411 62.730 61.300 0.031 0.000 1.368 1114 I CB -0.546 37.458 38.000 0.007 0.000 1.058 1114 I HN 0.320 nan 8.210 nan 0.000 0.410 1115 G N 0.040 108.859 108.800 0.032 0.000 2.535 1115 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 1115 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 1115 G C 1.516 176.468 174.900 0.088 0.000 1.122 1115 G CA 0.267 45.379 45.100 0.020 0.000 0.769 1115 G HN 0.324 nan 8.290 nan 0.000 0.549 1116 E N 0.531 120.806 120.200 0.125 0.000 2.265 1116 E HA -0.135 4.215 4.350 0.000 0.000 0.196 1116 E C 1.481 178.007 176.600 -0.123 0.000 0.996 1116 E CA 1.480 57.815 56.400 -0.109 0.000 0.832 1116 E CB 0.125 29.623 29.700 -0.335 0.000 0.756 1116 E HN 0.493 nan 8.360 nan 0.000 0.491 1117 D N -1.460 118.904 120.400 -0.060 0.000 2.331 1117 D HA 0.199 4.839 4.640 0.000 0.000 0.300 1117 D C 0.125 176.401 176.300 -0.040 0.000 1.090 1117 D CA 0.610 54.574 54.000 -0.060 0.000 0.905 1117 D CB 0.280 41.029 40.800 -0.085 0.000 1.600 1117 D HN 0.133 nan 8.370 nan 0.000 0.511 1118 A N -0.112 122.678 122.820 -0.049 0.000 2.259 1118 A HA 0.409 4.729 4.320 0.000 0.000 0.278 1118 A C -0.552 177.037 177.584 0.009 0.000 1.107 1118 A CA -0.239 51.742 52.037 -0.093 0.000 0.828 1118 A CB -0.048 18.902 19.000 -0.083 0.000 1.111 1118 A HN 0.415 nan 8.150 nan 0.000 0.498 1119 H N 0.316 119.360 119.070 -0.044 0.000 2.908 1119 H HA 0.296 4.852 4.556 0.000 0.000 0.269 1119 H C -0.794 174.404 175.328 -0.216 0.000 1.303 1119 H CA -0.529 55.450 56.048 -0.116 0.000 1.341 1119 H CB 0.060 29.762 29.762 -0.100 0.000 1.519 1119 H HN 0.234 nan 8.280 nan 0.000 0.505 1120 I N 4.023 124.538 120.570 -0.091 0.000 2.474 1120 I HA 0.142 4.312 4.170 0.000 0.000 0.294 1120 I C 0.275 176.256 176.117 -0.227 0.000 1.005 1120 I CA -0.819 60.364 61.300 -0.193 0.000 1.113 1120 I CB 1.734 39.636 38.000 -0.164 0.000 1.289 1120 I HN 0.440 nan 8.210 nan 0.000 0.436 1121 L N 5.257 126.308 121.223 -0.286 0.000 2.439 1121 L HA 0.260 4.600 4.340 0.000 0.000 0.269 1121 L C 0.135 176.872 176.870 -0.222 0.000 1.179 1121 L CA -0.516 54.172 54.840 -0.252 0.000 0.828 1121 L CB 0.666 42.564 42.059 -0.268 0.000 1.106 1121 L HN 0.213 nan 8.230 nan 0.000 0.467 1122 V N 1.736 121.547 119.914 -0.172 0.000 2.637 1122 V HA 0.307 4.427 4.120 0.000 0.000 0.296 1122 V C 0.567 176.612 176.094 -0.082 0.000 1.046 1122 V CA -0.010 62.207 62.300 -0.138 0.000 1.066 1122 V CB 0.944 32.712 31.823 -0.091 0.000 0.968 1122 V HN 1.021 nan 8.190 nan 0.000 0.483 1123 T N 3.300 117.824 114.554 -0.050 0.000 2.778 1123 T HA 0.826 5.176 4.350 0.000 0.000 0.293 1123 T C -0.608 174.109 174.700 0.029 0.000 1.144 1123 T CA -1.025 61.075 62.100 -0.000 0.000 1.010 1123 T CB 2.604 71.480 68.868 0.013 0.000 1.325 1123 T HN 0.595 nan 8.240 nan 0.000 0.515 1124 R N -0.708 119.820 120.500 0.046 0.000 2.780 1124 R HA 0.374 4.714 4.340 0.000 0.000 0.280 1124 R C -1.373 174.958 176.300 0.052 0.000 1.016 1124 R CA -0.740 55.373 56.100 0.023 0.000 0.854 1124 R CB 1.068 31.352 30.300 -0.026 0.000 1.293 1124 R HN 0.913 nan 8.270 nan 0.000 0.483 1125 E N -0.032 120.176 120.200 0.013 0.000 2.252 1125 E HA -0.154 4.197 4.350 0.000 0.000 0.218 1125 E C -2.499 174.250 176.600 0.247 0.000 1.253 1125 E CA 0.658 57.149 56.400 0.151 0.000 0.705 1125 E CB -1.093 28.721 29.700 0.191 0.000 1.172 1125 E HN 0.263 nan 8.360 nan 0.000 0.369 1126 P HA 0.351 nan 4.420 nan 0.000 0.278 1126 P C -0.556 176.587 177.300 -0.262 0.000 1.266 1126 P CA -0.234 62.848 63.100 -0.030 0.000 0.807 1126 P CB 0.782 32.436 31.700 -0.077 0.000 1.094 1127 Y N -2.463 117.413 120.300 -0.707 0.000 2.895 1127 Y HA 0.604 5.154 4.550 0.000 0.000 0.339 1127 Y C -1.854 173.582 175.900 -0.772 0.000 1.363 1127 Y CA -1.341 56.046 58.100 -1.188 0.000 1.085 1127 Y CB 0.203 38.304 38.460 -0.598 0.000 1.500 1127 Y HN 0.080 nan 8.280 nan 0.000 0.442 1128 L N 1.439 122.286 121.223 -0.628 0.000 2.333 1128 L HA 0.820 5.160 4.340 0.000 0.000 0.263 1128 L C -0.589 176.012 176.870 -0.448 0.000 1.014 1128 L CA -0.891 53.499 54.840 -0.750 0.000 0.820 1128 L CB 1.855 42.960 42.059 -1.590 0.000 1.352 1128 L HN 0.849 nan 8.230 nan 0.000 0.421 1129 S N -0.022 115.528 115.700 -0.250 0.000 2.535 1129 S HA 0.640 5.110 4.470 0.000 0.000 0.272 1129 S C -1.205 173.464 174.600 0.115 0.000 1.149 1129 S CA -0.355 57.833 58.200 -0.021 0.000 0.888 1129 S CB 1.351 64.400 63.200 -0.253 0.000 1.110 1129 S HN 0.669 nan 8.310 nan 0.000 0.463 1130 c N 2.712 121.464 118.600 0.254 0.000 2.595 1130 c HA 0.954 5.524 4.570 0.000 0.000 0.338 1130 c C -0.412 173.666 174.090 -0.021 0.000 1.219 1130 c CA -0.483 55.969 56.329 0.206 0.000 1.811 1130 c CB 1.148 43.887 42.510 0.382 0.000 2.313 1130 c HN 1.039 nan 8.230 nan 0.000 0.499 1131 D N -0.730 119.411 120.400 -0.433 0.000 2.798 1131 D HA 0.435 5.075 4.640 0.000 0.000 0.308 1131 D C -2.651 172.878 176.300 -1.285 0.000 1.187 1131 D CA -1.180 52.000 54.000 -1.368 0.000 1.033 1131 D CB -0.101 39.953 40.800 -1.244 0.000 1.445 1131 D HN 0.083 nan 8.370 nan 0.000 0.550 1132 P HA -0.066 nan 4.420 nan 0.000 0.222 1132 P C 0.948 178.057 177.300 -0.318 0.000 1.147 1132 P CA 1.386 64.013 63.100 -0.788 0.000 0.790 1132 P CB 0.246 31.614 31.700 -0.553 0.000 0.780 1133 Q N -1.378 118.228 119.800 -0.323 0.000 2.302 1133 Q HA 0.303 4.643 4.340 0.000 0.000 0.202 1133 Q C 1.201 177.138 176.000 -0.105 0.000 0.936 1133 Q CA 0.952 56.656 55.803 -0.165 0.000 0.886 1133 Q CB 0.035 28.679 28.738 -0.157 0.000 0.986 1133 Q HN 0.203 nan 8.270 nan 0.000 0.487 1134 G N -2.183 106.544 108.800 -0.122 0.000 2.360 1134 G HA2 0.287 4.247 3.960 0.000 0.000 0.276 1134 G HA3 0.287 4.247 3.960 0.000 0.000 0.276 1134 G C -1.518 173.362 174.900 -0.034 0.000 1.256 1134 G CA -0.492 44.581 45.100 -0.046 0.000 0.890 1134 G HN 0.048 nan 8.290 nan 0.000 0.486 1135 c N -0.144 118.445 118.600 -0.018 0.000 2.561 1135 c HA 0.941 5.511 4.570 0.000 0.000 0.319 1135 c C 0.300 174.323 174.090 -0.112 0.000 1.198 1135 c CA -0.586 55.731 56.329 -0.020 0.000 1.665 1135 c CB 1.356 43.889 42.510 0.039 0.000 2.258 1135 c HN 0.765 nan 8.230 nan 0.000 0.493 1136 R N 1.209 121.626 120.500 -0.138 0.000 2.854 1136 R HA 0.695 5.035 4.340 0.000 0.000 0.271 1136 R C -1.032 174.977 176.300 -0.485 0.000 0.994 1136 R CA -0.624 55.282 56.100 -0.322 0.000 0.945 1136 R CB 1.587 31.679 30.300 -0.347 0.000 1.194 1136 R HN 0.625 nan 8.270 nan 0.000 0.476 1137 M N 1.616 120.629 119.600 -0.977 0.000 2.367 1137 M HA 0.452 4.932 4.480 0.000 0.000 0.339 1137 M C -1.119 174.210 176.300 -1.619 0.000 1.177 1137 M CA -0.162 54.380 55.300 -1.264 0.000 1.068 1137 M CB 0.954 32.548 32.600 -1.676 0.000 1.602 1137 M HN 0.336 nan 8.290 nan 0.000 0.457 1138 F N 0.617 119.758 119.950 -1.348 0.000 2.603 1138 F HA 0.896 5.423 4.527 0.000 0.000 0.317 1138 F C -0.074 175.289 175.800 -0.727 0.000 1.066 1138 F CA -0.592 56.761 58.000 -1.078 0.000 0.941 1138 F CB 2.124 40.204 39.000 -1.532 0.000 1.291 1138 F HN 0.664 nan 8.300 nan 0.000 0.472 1139 A N 0.860 123.637 122.820 -0.073 0.000 2.490 1139 A HA 0.665 4.985 4.320 0.000 0.000 0.292 1139 A C -2.344 175.325 177.584 0.142 0.000 1.047 1139 A CA -0.831 51.264 52.037 0.096 0.000 0.632 1139 A CB 0.839 19.975 19.000 0.227 0.000 1.323 1139 A HN 0.647 nan 8.150 nan 0.000 0.448 1140 L N 1.924 123.231 121.223 0.139 0.000 2.262 1140 L HA 0.490 4.831 4.340 0.000 0.000 0.288 1140 L C 0.924 177.841 176.870 0.077 0.000 1.035 1140 L CA -0.398 54.511 54.840 0.115 0.000 0.820 1140 L CB 1.418 43.561 42.059 0.140 0.000 1.204 1140 L HN 0.786 nan 8.230 nan 0.000 0.424 1141 S N 2.014 117.740 115.700 0.043 0.000 2.589 1141 S HA 0.092 4.562 4.470 0.000 0.000 0.265 1141 S C 0.708 175.331 174.600 0.039 0.000 1.342 1141 S CA -0.166 58.036 58.200 0.002 0.000 1.005 1141 S CB 0.803 63.981 63.200 -0.037 0.000 0.909 1141 S HN 0.652 nan 8.310 nan 0.000 0.555 1142 Q N 0.988 120.806 119.800 0.030 0.000 2.179 1142 Q HA 0.207 4.547 4.340 0.000 0.000 0.213 1142 Q C 0.909 176.965 176.000 0.094 0.000 0.833 1142 Q CA 0.535 56.389 55.803 0.085 0.000 0.990 1142 Q CB 0.680 29.469 28.738 0.085 0.000 1.132 1142 Q HN 1.154 nan 8.270 nan 0.000 0.493 1143 G N 1.928 110.749 108.800 0.034 0.000 2.225 1143 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 1143 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 1143 G C 0.034 174.893 174.900 -0.068 0.000 1.060 1143 G CA 0.985 46.088 45.100 0.005 0.000 0.833 1143 G HN 0.356 nan 8.290 nan 0.000 0.498 1144 T N -1.406 113.102 114.554 -0.076 0.000 2.775 1144 T HA 0.688 5.038 4.350 0.000 0.000 0.320 1144 T C 0.280 174.913 174.700 -0.112 0.000 1.597 1144 T CA 0.926 62.974 62.100 -0.085 0.000 1.022 1144 T CB 1.059 69.920 68.868 -0.011 0.000 1.485 1144 T HN 1.388 nan 8.240 nan 0.000 0.494 1145 T N 1.537 116.016 114.554 -0.125 0.000 2.874 1145 T HA 0.471 4.821 4.350 0.000 0.000 0.281 1145 T C 1.427 176.029 174.700 -0.164 0.000 0.994 1145 T CA -0.598 61.409 62.100 -0.155 0.000 1.015 1145 T CB 0.968 69.741 68.868 -0.158 0.000 1.028 1145 T HN 0.501 nan 8.240 nan 0.000 0.523 1146 L N 0.413 121.502 121.223 -0.223 0.000 2.046 1146 L HA 0.100 4.440 4.340 0.000 0.000 0.208 1146 L C 2.425 179.110 176.870 -0.308 0.000 1.077 1146 L CA 1.616 56.225 54.840 -0.386 0.000 0.747 1146 L CB -0.595 41.202 42.059 -0.436 0.000 0.896 1146 L HN 0.546 nan 8.230 nan 0.000 0.432 1147 R N 0.187 120.620 120.500 -0.112 0.000 2.310 1147 R HA 0.262 4.602 4.340 0.000 0.000 0.202 1147 R C 0.717 177.008 176.300 -0.014 0.000 0.933 1147 R CA 0.502 56.597 56.100 -0.008 0.000 1.054 1147 R CB -0.794 29.524 30.300 0.031 0.000 0.985 1147 R HN 0.427 nan 8.270 nan 0.000 0.489 1148 G N -0.096 108.676 108.800 -0.047 0.000 2.569 1148 G HA2 0.055 4.015 3.960 0.000 0.000 0.249 1148 G HA3 0.055 4.015 3.960 0.000 0.000 0.249 1148 G C 0.624 175.511 174.900 -0.022 0.000 1.216 1148 G CA -0.502 44.580 45.100 -0.029 0.000 0.845 1148 G HN 0.147 nan 8.290 nan 0.000 0.568 1149 R N -0.658 119.796 120.500 -0.077 0.000 2.152 1149 R HA -0.067 4.273 4.340 0.000 0.000 0.232 1149 R C 1.819 178.006 176.300 -0.190 0.000 1.117 1149 R CA 1.194 57.210 56.100 -0.140 0.000 0.981 1149 R CB -0.124 30.040 30.300 -0.227 0.000 0.870 1149 R HN 0.752 nan 8.270 nan 0.000 0.451 1150 H N -0.526 118.524 119.070 -0.034 0.000 2.559 1150 H HA 0.086 4.642 4.556 0.000 0.000 0.273 1150 H C 1.761 177.087 175.328 -0.003 0.000 1.000 1150 H CA 0.713 56.738 56.048 -0.039 0.000 1.195 1150 H CB 0.143 29.850 29.762 -0.091 0.000 1.368 1150 H HN 0.247 nan 8.280 nan 0.000 0.592 1151 A N 0.909 123.781 122.820 0.088 0.000 2.121 1151 A HA -0.150 4.170 4.320 0.000 0.000 0.218 1151 A C 1.273 178.965 177.584 0.180 0.000 1.154 1151 A CA 0.378 52.473 52.037 0.097 0.000 0.679 1151 A CB -0.411 18.585 19.000 -0.006 0.000 0.795 1151 A HN 0.363 nan 8.150 nan 0.000 0.458 1152 N N 0.393 119.174 118.700 0.136 0.000 2.434 1152 N HA 0.309 5.049 4.740 0.000 0.000 0.268 1152 N C 0.878 176.443 175.510 0.092 0.000 1.256 1152 N CA 1.393 54.510 53.050 0.112 0.000 0.914 1152 N CB -0.016 38.503 38.487 0.052 0.000 1.088 1152 N HN 0.670 nan 8.380 nan 0.000 0.478 1153 G N 2.158 111.010 108.800 0.087 0.000 2.144 1153 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 1153 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 1153 G C 0.709 175.676 174.900 0.113 0.000 0.988 1153 G CA 0.492 45.634 45.100 0.071 0.000 0.659 1153 G HN 0.805 nan 8.290 nan 0.000 0.522 1154 T N -1.138 113.498 114.554 0.138 0.000 3.160 1154 T HA 0.297 4.647 4.350 0.000 0.000 0.257 1154 T C 2.173 176.945 174.700 0.121 0.000 1.147 1154 T CA 0.754 62.943 62.100 0.148 0.000 1.064 1154 T CB 0.178 69.137 68.868 0.151 0.000 0.949 1154 T HN 0.583 nan 8.240 nan 0.000 0.526 1155 I N 0.743 121.368 120.570 0.092 0.000 2.423 1155 I HA -0.121 4.049 4.170 0.000 0.000 0.254 1155 I C 1.076 177.236 176.117 0.072 0.000 1.151 1155 I CA 0.767 62.097 61.300 0.050 0.000 1.421 1155 I CB -0.200 37.806 38.000 0.011 0.000 1.079 1155 I HN 0.315 nan 8.210 nan 0.000 0.431 1156 H N 1.430 120.500 119.070 0.000 0.000 2.928 1156 H HA -0.031 4.525 4.556 0.000 0.000 0.338 1156 H C 0.828 176.139 175.328 -0.028 0.000 1.047 1156 H CA 0.509 56.546 56.048 -0.019 0.000 1.435 1156 H CB 0.569 30.330 29.762 -0.003 0.000 1.428 1156 H HN 0.179 nan 8.280 nan 0.000 0.590 1157 D N 4.054 124.190 120.400 -0.441 0.000 2.213 1157 D HA -0.006 4.634 4.640 0.000 0.000 0.205 1157 D C 0.079 176.164 176.300 -0.359 0.000 0.961 1157 D CA 0.954 54.766 54.000 -0.314 0.000 0.853 1157 D CB 0.372 40.997 40.800 -0.292 0.000 0.967 1157 D HN 0.486 nan 8.370 nan 0.000 0.496 1158 R N 0.052 120.159 120.500 -0.654 0.000 2.476 1158 R HA 0.512 4.852 4.340 0.000 0.000 0.305 1158 R C -0.570 175.609 176.300 -0.201 0.000 0.965 1158 R CA -0.401 55.365 56.100 -0.556 0.000 0.867 1158 R CB 2.236 31.838 30.300 -1.164 0.000 1.176 1158 R HN -0.042 nan 8.270 nan 0.000 0.447 1159 S N 1.035 116.733 115.700 -0.003 0.000 2.625 1159 S HA 0.466 4.936 4.470 0.000 0.000 0.271 1159 S C -2.555 171.919 174.600 -0.209 0.000 1.161 1159 S CA -1.326 56.807 58.200 -0.113 0.000 0.820 1159 S CB 2.214 65.345 63.200 -0.114 0.000 1.137 1159 S HN 0.259 nan 8.310 nan 0.000 0.470 1160 P HA 0.250 nan 4.420 nan 0.000 0.242 1160 P C 0.056 177.097 177.300 -0.431 0.000 1.197 1160 P CA 0.505 63.306 63.100 -0.499 0.000 0.765 1160 P CB -0.351 31.025 31.700 -0.541 0.000 0.936 1161 F N -1.378 118.623 119.950 0.084 0.000 2.695 1161 F HA 0.231 4.759 4.527 0.000 0.000 0.303 1161 F C 1.302 177.124 175.800 0.036 0.000 1.091 1161 F CA -0.635 57.386 58.000 0.036 0.000 1.300 1161 F CB 0.080 39.086 39.000 0.011 0.000 1.071 1161 F HN -0.323 nan 8.300 nan 0.000 0.578 1162 R N 1.490 122.070 120.500 0.135 0.000 2.500 1162 R HA 0.771 5.111 4.340 0.000 0.000 0.275 1162 R C -0.453 175.883 176.300 0.060 0.000 1.051 1162 R CA -0.364 55.805 56.100 0.115 0.000 1.088 1162 R CB 1.261 31.655 30.300 0.157 0.000 1.063 1162 R HN 0.119 nan 8.270 nan 0.000 0.511 1163 A N 1.713 124.555 122.820 0.037 0.000 2.604 1163 A HA 0.342 4.663 4.320 0.000 0.000 0.295 1163 A C -1.622 175.961 177.584 -0.000 0.000 1.067 1163 A CA -0.798 51.233 52.037 -0.011 0.000 0.683 1163 A CB 1.359 20.336 19.000 -0.039 0.000 1.281 1163 A HN 0.540 nan 8.150 nan 0.000 0.407 1164 L N 2.748 123.959 121.223 -0.020 0.000 2.361 1164 L HA 0.638 4.978 4.340 0.000 0.000 0.278 1164 L C -0.200 176.655 176.870 -0.024 0.000 1.113 1164 L CA 0.242 55.094 54.840 0.020 0.000 0.849 1164 L CB -0.161 41.924 42.059 0.043 0.000 1.155 1164 L HN 0.548 nan 8.230 nan 0.000 0.452 1165 I N 2.016 122.591 120.570 0.008 0.000 2.740 1165 I HA 0.849 5.019 4.170 0.000 0.000 0.303 1165 I C -0.391 175.668 176.117 -0.097 0.000 1.044 1165 I CA -0.601 60.682 61.300 -0.029 0.000 1.064 1165 I CB 2.168 40.170 38.000 0.004 0.000 1.249 1165 I HN 0.641 nan 8.210 nan 0.000 0.433 1166 S N 2.802 118.345 115.700 -0.261 0.000 2.570 1166 S HA 0.888 5.358 4.470 0.000 0.000 0.286 1166 S C -1.310 173.168 174.600 -0.203 0.000 1.099 1166 S CA -0.603 57.147 58.200 -0.750 0.000 0.913 1166 S CB 1.610 63.973 63.200 -1.396 0.000 1.085 1166 S HN 1.061 nan 8.310 nan 0.000 0.480 1167 W N -0.142 120.829 121.300 -0.548 0.000 3.059 1167 W HA 0.616 5.276 4.660 0.000 0.000 0.329 1167 W C -1.102 175.248 176.519 -0.281 0.000 1.246 1167 W CA -0.869 56.275 57.345 -0.336 0.000 1.190 1167 W CB 0.367 29.672 29.460 -0.258 0.000 1.423 1167 W HN 0.858 nan 8.180 nan 0.000 0.571 1168 E N 3.178 123.389 120.200 0.019 0.000 2.480 1168 E HA -0.007 4.343 4.350 0.000 0.000 0.258 1168 E C 0.268 176.811 176.600 -0.095 0.000 0.984 1168 E CA -0.310 56.054 56.400 -0.061 0.000 0.930 1168 E CB 0.539 30.242 29.700 0.004 0.000 0.936 1168 E HN 0.640 nan 8.360 nan 0.000 0.466 1169 M N 5.098 124.584 119.600 -0.192 0.000 2.261 1169 M HA 0.013 4.493 4.480 0.000 0.000 0.350 1169 M C 0.955 177.220 176.300 -0.058 0.000 1.343 1169 M CA 1.821 57.000 55.300 -0.201 0.000 1.003 1169 M CB 0.013 32.511 32.600 -0.171 0.000 1.848 1169 M HN 0.887 nan 8.290 nan 0.000 0.456 1170 G N 2.903 111.694 108.800 -0.015 0.000 2.399 1170 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 1170 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 1170 G C -0.010 174.956 174.900 0.111 0.000 1.096 1170 G CA 0.095 45.219 45.100 0.041 0.000 0.650 1170 G HN 0.684 nan 8.290 nan 0.000 0.512 1171 Q N 1.051 120.951 119.800 0.166 0.000 2.492 1171 Q HA 0.574 4.914 4.340 0.000 0.000 0.238 1171 Q C 0.579 176.689 176.000 0.184 0.000 1.045 1171 Q CA 0.193 56.086 55.803 0.150 0.000 0.934 1171 Q CB 0.879 29.693 28.738 0.127 0.000 1.276 1171 Q HN 0.885 nan 8.270 nan 0.000 0.521 1172 A N 2.275 125.077 122.820 -0.031 0.000 2.293 1172 A HA 0.481 4.801 4.320 0.000 0.000 0.302 1172 A C -2.244 174.959 177.584 -0.636 0.000 1.119 1172 A CA -1.607 50.313 52.037 -0.195 0.000 0.823 1172 A CB 0.171 19.090 19.000 -0.135 0.000 1.097 1172 A HN 0.465 nan 8.150 nan 0.000 0.491 1173 P HA 0.180 nan 4.420 nan 0.000 0.280 1173 P C -0.334 176.543 177.300 -0.706 0.000 1.300 1173 P CA 0.202 62.463 63.100 -1.398 0.000 0.785 1173 P CB 0.837 31.439 31.700 -1.830 0.000 0.874 1174 S N 3.717 119.091 115.700 -0.544 0.000 2.704 1174 S HA 0.614 5.084 4.470 0.000 0.000 0.305 1174 S C -2.109 172.208 174.600 -0.471 0.000 1.107 1174 S CA -1.845 56.092 58.200 -0.439 0.000 0.993 1174 S CB 1.317 64.317 63.200 -0.333 0.000 1.110 1174 S HN 0.045 nan 8.310 nan 0.000 0.534 1175 P HA 0.088 nan 4.420 nan 0.000 0.234 1175 P C 0.090 177.138 177.300 -0.420 0.000 1.167 1175 P CA 0.931 63.703 63.100 -0.547 0.000 0.763 1175 P CB -0.283 31.021 31.700 -0.660 0.000 0.835 1176 Y N -0.880 119.366 120.300 -0.090 0.000 2.481 1176 Y HA 0.147 4.697 4.550 0.000 0.000 0.258 1176 Y C 1.550 177.403 175.900 -0.079 0.000 1.103 1176 Y CA -0.194 57.863 58.100 -0.071 0.000 1.287 1176 Y CB -0.212 38.215 38.460 -0.055 0.000 1.108 1176 Y HN 0.061 nan 8.280 nan 0.000 0.529 1177 N N -0.132 118.558 118.700 -0.016 0.000 2.241 1177 N HA 0.045 4.785 4.740 0.000 0.000 0.238 1177 N C -0.595 174.884 175.510 -0.051 0.000 1.244 1177 N CA 0.040 53.075 53.050 -0.024 0.000 0.880 1177 N CB -0.266 38.203 38.487 -0.030 0.000 1.179 1177 N HN 0.046 nan 8.380 nan 0.000 0.513 1178 T N -1.872 112.626 114.554 -0.094 0.000 2.856 1178 T HA 0.488 4.838 4.350 0.000 0.000 0.283 1178 T C -0.359 174.296 174.700 -0.075 0.000 1.008 1178 T CA -0.908 61.144 62.100 -0.080 0.000 0.997 1178 T CB 2.504 71.271 68.868 -0.169 0.000 0.992 1178 T HN 0.145 nan 8.240 nan 0.000 0.454 1179 R N 1.867 122.319 120.500 -0.079 0.000 2.294 1179 R HA 0.543 4.883 4.340 0.000 0.000 0.319 1179 R C -1.046 175.175 176.300 -0.131 0.000 0.984 1179 R CA -0.679 55.358 56.100 -0.105 0.000 0.861 1179 R CB 0.990 31.216 30.300 -0.123 0.000 1.104 1179 R HN 0.602 nan 8.270 nan 0.000 0.451 1180 V N 5.736 125.567 119.914 -0.137 0.000 2.405 1180 V HA 0.021 4.141 4.120 0.000 0.000 0.264 1180 V C 1.014 176.945 176.094 -0.270 0.000 1.048 1180 V CA 0.052 62.248 62.300 -0.173 0.000 0.966 1180 V CB 1.191 32.920 31.823 -0.157 0.000 1.015 1180 V HN 0.876 nan 8.190 nan 0.000 0.477 1181 E N 2.955 122.990 120.200 -0.276 0.000 2.076 1181 E HA 0.007 4.357 4.350 0.000 0.000 0.190 1181 E C 0.573 176.706 176.600 -0.779 0.000 0.979 1181 E CA 1.191 57.371 56.400 -0.367 0.000 0.807 1181 E CB 0.281 29.898 29.700 -0.139 0.000 0.761 1181 E HN 0.930 nan 8.360 nan 0.000 0.454 1182 c N -1.364 116.869 118.600 -0.611 0.000 3.216 1182 c HA 0.525 5.096 4.570 0.000 0.000 0.346 1182 c C -1.128 172.801 174.090 -0.268 0.000 1.384 1182 c CA -1.381 54.539 56.329 -0.681 0.000 1.208 1182 c CB 0.605 42.723 42.510 -0.653 0.000 1.483 1182 c HN 0.027 nan 8.230 nan 0.000 0.453 1183 I N 2.139 122.634 120.570 -0.125 0.000 2.377 1183 I HA 0.853 5.023 4.170 0.000 0.000 0.293 1183 I C 0.808 176.851 176.117 -0.123 0.000 0.987 1183 I CA 1.009 62.262 61.300 -0.077 0.000 1.185 1183 I CB 0.572 38.561 38.000 -0.019 0.000 1.341 1183 I HN 1.548 nan 8.210 nan 0.000 0.455 1184 G N 6.062 114.773 108.800 -0.147 0.000 2.350 1184 G HA2 0.104 4.064 3.960 0.000 0.000 0.276 1184 G HA3 0.104 4.064 3.960 0.000 0.000 0.276 1184 G C -1.267 173.549 174.900 -0.140 0.000 1.313 1184 G CA -0.327 44.569 45.100 -0.341 0.000 0.903 1184 G HN 0.653 nan 8.290 nan 0.000 0.490 1185 W N -0.280 121.016 121.300 -0.006 0.000 2.007 1185 W HA 0.653 5.313 4.660 0.000 0.000 0.301 1185 W C -0.173 176.352 176.519 0.010 0.000 0.887 1185 W CA 0.070 57.411 57.345 -0.007 0.000 1.625 1185 W CB 0.350 29.785 29.460 -0.041 0.000 1.078 1185 W HN 0.940 nan 8.180 nan 0.000 0.502 1186 S N 1.916 117.760 115.700 0.239 0.000 2.535 1186 S HA 0.605 5.076 4.470 0.000 0.000 0.272 1186 S C -0.773 173.864 174.600 0.061 0.000 1.149 1186 S CA 0.062 58.393 58.200 0.219 0.000 0.888 1186 S CB 1.673 65.055 63.200 0.304 0.000 1.110 1186 S HN 0.314 nan 8.310 nan 0.000 0.463 1187 S N 1.967 117.720 115.700 0.089 0.000 2.625 1187 S HA 0.865 5.335 4.470 0.000 0.000 0.271 1187 S C -0.814 173.783 174.600 -0.005 0.000 1.161 1187 S CA -0.421 57.812 58.200 0.057 0.000 0.820 1187 S CB 1.651 64.925 63.200 0.124 0.000 1.137 1187 S HN 0.953 nan 8.310 nan 0.000 0.470 1188 T N -0.106 114.433 114.554 -0.025 0.000 2.816 1188 T HA 0.801 5.151 4.350 0.000 0.000 0.299 1188 T C -1.539 173.131 174.700 -0.050 0.000 1.230 1188 T CA -0.094 61.925 62.100 -0.136 0.000 1.007 1188 T CB 1.579 70.365 68.868 -0.136 0.000 1.289 1188 T HN 1.403 nan 8.240 nan 0.000 0.508 1189 S N 0.020 115.663 115.700 -0.095 0.000 2.552 1189 S HA 0.763 5.234 4.470 0.000 0.000 0.272 1189 S C -1.533 173.026 174.600 -0.069 0.000 1.150 1189 S CA -0.258 57.895 58.200 -0.077 0.000 0.849 1189 S CB 0.377 63.472 63.200 -0.175 0.000 1.113 1189 S HN 1.511 nan 8.310 nan 0.000 0.458 1190 c N 2.346 120.954 118.600 0.013 0.000 3.302 1190 c HA 0.638 5.208 4.570 0.000 0.000 0.347 1190 c C -1.238 172.970 174.090 0.197 0.000 1.218 1190 c CA -0.893 55.507 56.329 0.118 0.000 1.234 1190 c CB 0.731 43.316 42.510 0.126 0.000 1.551 1190 c HN 1.004 nan 8.230 nan 0.000 0.501 1191 H N 1.556 120.747 119.070 0.201 0.000 2.467 1191 H HA 0.352 4.908 4.556 0.000 0.000 0.326 1191 H C -0.033 175.514 175.328 0.366 0.000 1.094 1191 H CA 0.516 56.685 56.048 0.202 0.000 1.253 1191 H CB 2.016 31.791 29.762 0.023 0.000 1.439 1191 H HN 0.953 nan 8.280 nan 0.000 0.479 1192 D N 2.153 122.731 120.400 0.297 0.000 2.339 1192 D HA 0.105 4.746 4.640 0.000 0.000 0.217 1192 D C 1.460 178.148 176.300 0.648 0.000 1.050 1192 D CA 0.670 54.935 54.000 0.442 0.000 0.856 1192 D CB 0.511 41.551 40.800 0.400 0.000 0.922 1192 D HN 0.860 nan 8.370 nan 0.000 0.518 1193 G N -0.125 109.162 108.800 0.812 0.000 2.339 1193 G HA2 -0.290 3.670 3.960 0.000 0.000 0.209 1193 G HA3 -0.290 3.670 3.960 0.000 0.000 0.209 1193 G C 1.046 176.203 174.900 0.430 0.000 1.015 1193 G CA 0.362 45.911 45.100 0.748 0.000 0.635 1193 G HN 0.176 nan 8.290 nan 0.000 0.499 1194 M N 0.306 120.047 119.600 0.235 0.000 2.556 1194 M HA 0.386 4.866 4.480 0.000 0.000 0.259 1194 M C 0.967 177.192 176.300 -0.126 0.000 1.175 1194 M CA 1.403 56.726 55.300 0.038 0.000 1.202 1194 M CB -0.353 32.205 32.600 -0.071 0.000 1.298 1194 M HN 0.210 nan 8.290 nan 0.000 0.492 1195 S N -0.835 114.568 115.700 -0.496 0.000 2.638 1195 S HA 0.532 5.002 4.470 0.000 0.000 0.274 1195 S C -0.753 173.221 174.600 -1.044 0.000 1.157 1195 S CA -0.852 56.860 58.200 -0.813 0.000 0.826 1195 S CB 3.142 65.767 63.200 -0.958 0.000 1.139 1195 S HN 0.251 nan 8.310 nan 0.000 0.474 1196 R N 1.380 121.495 120.500 -0.643 0.000 2.312 1196 R HA 0.571 4.911 4.340 0.000 0.000 0.311 1196 R C -0.659 175.573 176.300 -0.114 0.000 1.004 1196 R CA -0.346 55.608 56.100 -0.242 0.000 0.902 1196 R CB 0.774 31.095 30.300 0.034 0.000 1.073 1196 R HN 0.744 nan 8.270 nan 0.000 0.457 1197 M N 3.260 122.899 119.600 0.066 0.000 2.300 1197 M HA 0.341 4.821 4.480 0.000 0.000 0.348 1197 M C -1.354 174.991 176.300 0.076 0.000 1.151 1197 M CA -0.093 55.298 55.300 0.152 0.000 1.046 1197 M CB 1.734 34.433 32.600 0.165 0.000 1.647 1197 M HN 0.604 nan 8.290 nan 0.000 0.451 1198 S N 5.510 121.269 115.700 0.098 0.000 2.538 1198 S HA 0.719 5.189 4.470 0.000 0.000 0.288 1198 S C -0.981 173.659 174.600 0.066 0.000 1.108 1198 S CA -0.694 57.538 58.200 0.054 0.000 0.971 1198 S CB 1.607 64.821 63.200 0.023 0.000 1.041 1198 S HN 0.711 nan 8.310 nan 0.000 0.483 1199 I N 1.536 122.115 120.570 0.014 0.000 2.582 1199 I HA 0.529 4.699 4.170 0.000 0.000 0.292 1199 I C -1.024 175.094 176.117 0.002 0.000 1.066 1199 I CA -0.532 60.779 61.300 0.018 0.000 1.053 1199 I CB 1.916 39.873 38.000 -0.072 0.000 1.241 1199 I HN 0.512 nan 8.210 nan 0.000 0.421 1200 c N 5.741 124.342 118.600 0.001 0.000 2.482 1200 c HA 0.639 5.209 4.570 0.000 0.000 0.317 1200 c C -0.103 173.874 174.090 -0.188 0.000 1.197 1200 c CA -0.620 55.656 56.329 -0.090 0.000 1.432 1200 c CB 1.556 44.006 42.510 -0.100 0.000 2.062 1200 c HN 0.613 nan 8.230 nan 0.000 0.471 1201 M N 2.976 122.357 119.600 -0.366 0.000 2.367 1201 M HA 0.635 5.115 4.480 0.000 0.000 0.339 1201 M C 0.386 175.969 176.300 -1.196 0.000 1.177 1201 M CA 0.556 55.476 55.300 -0.633 0.000 1.068 1201 M CB 1.509 33.726 32.600 -0.638 0.000 1.602 1201 M HN 0.867 nan 8.290 nan 0.000 0.457 1202 S N 0.666 115.783 115.700 -0.971 0.000 2.656 1202 S HA 1.005 5.475 4.470 0.000 0.000 0.273 1202 S C -0.332 174.115 174.600 -0.255 0.000 1.168 1202 S CA -0.138 57.493 58.200 -0.948 0.000 0.817 1202 S CB 1.497 64.417 63.200 -0.467 0.000 1.146 1202 S HN 1.634 nan 8.310 nan 0.000 0.475 1203 G N 0.532 109.417 108.800 0.141 0.000 2.422 1203 G HA2 0.174 4.134 3.960 0.000 0.000 0.607 1203 G HA3 0.174 4.134 3.960 0.000 0.000 0.607 1203 G C -3.365 171.735 174.900 0.333 0.000 1.270 1203 G CA -0.323 44.896 45.100 0.197 0.000 0.992 1203 G HN 0.850 nan 8.290 nan 0.000 0.499 1204 P HA 0.262 nan 4.420 nan 0.000 0.274 1204 P C 0.440 177.799 177.300 0.099 0.000 1.246 1204 P CA -0.380 62.782 63.100 0.104 0.000 0.795 1204 P CB 0.659 32.393 31.700 0.056 0.000 1.006 1205 N N 1.281 119.986 118.700 0.008 0.000 2.149 1205 N HA -0.159 4.581 4.740 0.000 0.000 0.188 1205 N C 1.186 176.696 175.510 0.001 0.000 1.019 1205 N CA 1.468 54.500 53.050 -0.030 0.000 0.857 1205 N CB -0.931 37.507 38.487 -0.082 0.000 0.997 1205 N HN 0.567 nan 8.380 nan 0.000 0.426 1206 N N -0.388 118.314 118.700 0.004 0.000 2.383 1206 N HA 0.003 4.744 4.740 0.000 0.000 0.192 1206 N C -0.283 175.232 175.510 0.008 0.000 1.141 1206 N CA 0.260 53.309 53.050 -0.001 0.000 0.851 1206 N CB 0.004 38.490 38.487 -0.001 0.000 0.976 1206 N HN -0.031 nan 8.380 nan 0.000 0.465 1207 N N -0.559 118.158 118.700 0.028 0.000 2.528 1207 N HA 0.239 4.979 4.740 0.000 0.000 0.266 1207 N C -1.289 174.246 175.510 0.042 0.000 1.528 1207 N CA -0.120 52.945 53.050 0.025 0.000 0.959 1207 N CB 0.610 39.112 38.487 0.026 0.000 1.430 1207 N HN 0.349 nan 8.380 nan 0.000 0.511 1208 A N 0.322 123.179 122.820 0.061 0.000 2.296 1208 A HA 0.775 5.095 4.320 0.000 0.000 0.264 1208 A C 0.354 177.918 177.584 -0.033 0.000 1.097 1208 A CA 0.004 52.087 52.037 0.075 0.000 0.811 1208 A CB 0.417 19.552 19.000 0.226 0.000 1.072 1208 A HN 0.435 nan 8.150 nan 0.000 0.495 1209 S N -1.042 114.602 115.700 -0.093 0.000 2.541 1209 S HA 0.743 5.213 4.470 0.000 0.000 0.271 1209 S C -0.603 173.920 174.600 -0.128 0.000 1.133 1209 S CA -0.116 58.032 58.200 -0.086 0.000 0.876 1209 S CB 1.347 64.521 63.200 -0.044 0.000 1.105 1209 S HN 1.988 nan 8.310 nan 0.000 0.470 1210 A N 1.604 124.383 122.820 -0.069 0.000 2.312 1210 A HA 0.803 5.123 4.320 0.000 0.000 0.326 1210 A C -0.626 176.957 177.584 -0.003 0.000 1.172 1210 A CA -0.795 51.213 52.037 -0.048 0.000 0.821 1210 A CB 0.925 19.930 19.000 0.009 0.000 1.166 1210 A HN 1.111 nan 8.150 nan 0.000 0.493 1211 V N 2.820 122.751 119.914 0.028 0.000 2.448 1211 V HA 0.391 4.511 4.120 0.000 0.000 0.295 1211 V C -0.414 175.752 176.094 0.120 0.000 1.025 1211 V CA -0.499 61.829 62.300 0.047 0.000 0.859 1211 V CB 1.560 33.450 31.823 0.110 0.000 0.988 1211 V HN 0.638 nan 8.190 nan 0.000 0.431 1212 V N 4.262 124.177 119.914 0.002 0.000 2.370 1212 V HA 0.470 4.590 4.120 0.000 0.000 0.283 1212 V C -0.778 175.321 176.094 0.008 0.000 1.023 1212 V CA -0.581 61.714 62.300 -0.009 0.000 0.857 1212 V CB 1.372 33.090 31.823 -0.175 0.000 0.985 1212 V HN 0.863 nan 8.190 nan 0.000 0.443 1213 W N 3.921 125.191 121.300 -0.051 0.000 2.578 1213 W HA 0.687 5.347 4.660 0.000 0.000 0.346 1213 W C -0.684 175.889 176.519 0.091 0.000 1.075 1213 W CA -0.810 56.544 57.345 0.015 0.000 1.233 1213 W CB 1.226 30.687 29.460 0.002 0.000 1.358 1213 W HN 0.535 nan 8.180 nan 0.000 0.574 1214 Y N 0.398 120.802 120.300 0.175 0.000 2.401 1214 Y HA 0.447 4.997 4.550 0.000 0.000 0.330 1214 Y C 0.756 176.713 175.900 0.096 0.000 1.071 1214 Y CA -0.382 57.775 58.100 0.095 0.000 1.049 1214 Y CB 1.974 40.458 38.460 0.041 0.000 1.239 1214 Y HN 0.762 nan 8.280 nan 0.000 0.437 1215 G N 3.163 111.717 108.800 -0.410 0.000 2.283 1215 G HA2 -0.029 3.932 3.960 0.000 0.000 0.280 1215 G HA3 -0.029 3.932 3.960 0.000 0.000 0.280 1215 G C 1.023 175.906 174.900 -0.029 0.000 1.029 1215 G CA 1.007 45.936 45.100 -0.286 0.000 0.840 1215 G HN 2.179 nan 8.290 nan 0.000 0.505 1216 G N -1.992 106.862 108.800 0.091 0.000 2.157 1216 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 1216 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 1216 G C 0.303 175.437 174.900 0.391 0.000 0.979 1216 G CA 0.944 46.170 45.100 0.210 0.000 0.650 1216 G HN 1.039 nan 8.290 nan 0.000 0.529 1217 R N 0.672 121.354 120.500 0.303 0.000 2.670 1217 R HA 0.498 4.838 4.340 0.000 0.000 0.289 1217 R C -2.660 173.517 176.300 -0.204 0.000 0.965 1217 R CA -2.033 54.127 56.100 0.100 0.000 0.899 1217 R CB 2.407 32.730 30.300 0.040 0.000 1.173 1217 R HN 0.063 nan 8.270 nan 0.000 0.456 1218 P HA 0.054 nan 4.420 nan 0.000 0.276 1218 P C 0.004 177.029 177.300 -0.458 0.000 1.253 1218 P CA 0.033 62.473 63.100 -1.099 0.000 0.766 1218 P CB 0.838 31.801 31.700 -1.228 0.000 0.845 1219 I N 1.665 122.051 120.570 -0.306 0.000 3.300 1219 I HA 0.136 4.306 4.170 0.000 0.000 0.279 1219 I C 0.966 177.021 176.117 -0.103 0.000 1.172 1219 I CA 1.101 62.321 61.300 -0.134 0.000 1.431 1219 I CB -0.518 37.459 38.000 -0.038 0.000 1.240 1219 I HN 0.263 nan 8.210 nan 0.000 0.453 1220 T N 1.237 115.732 114.554 -0.098 0.000 2.894 1220 T HA 0.513 4.863 4.350 0.000 0.000 0.309 1220 T C -0.981 173.702 174.700 -0.028 0.000 1.208 1220 T CA -0.565 61.523 62.100 -0.021 0.000 1.016 1220 T CB 2.903 71.820 68.868 0.082 0.000 1.192 1220 T HN -0.083 nan 8.240 nan 0.000 0.491 1221 E N 1.068 121.269 120.200 0.002 0.000 2.256 1221 E HA 0.739 5.089 4.350 0.000 0.000 0.267 1221 E C -0.961 175.675 176.600 0.059 0.000 0.892 1221 E CA -0.645 55.761 56.400 0.010 0.000 0.775 1221 E CB 2.101 31.793 29.700 -0.015 0.000 1.207 1221 E HN 0.452 nan 8.360 nan 0.000 0.420 1222 I N 2.878 123.492 120.570 0.073 0.000 2.497 1222 I HA 0.320 4.490 4.170 0.000 0.000 0.284 1222 I C -2.420 173.748 176.117 0.085 0.000 1.060 1222 I CA -2.267 59.106 61.300 0.121 0.000 1.071 1222 I CB 1.997 40.120 38.000 0.205 0.000 1.216 1222 I HN 0.292 nan 8.210 nan 0.000 0.442 1223 P HA 0.078 nan 4.420 nan 0.000 0.277 1223 P C -0.066 177.258 177.300 0.041 0.000 1.240 1223 P CA -0.247 62.884 63.100 0.051 0.000 0.798 1223 P CB 1.254 32.989 31.700 0.059 0.000 0.979 1224 S N 1.500 117.165 115.700 -0.058 0.000 2.558 1224 S HA -0.022 4.448 4.470 0.000 0.000 0.293 1224 S C 0.585 175.157 174.600 -0.046 0.000 1.292 1224 S CA -0.236 57.844 58.200 -0.199 0.000 1.063 1224 S CB -0.290 62.822 63.200 -0.146 0.000 0.831 1224 S HN 0.585 nan 8.310 nan 0.000 0.499 1225 W N 3.097 124.410 121.300 0.022 0.000 3.058 1225 W HA 0.618 5.278 4.660 0.000 0.000 0.306 1225 W C 1.072 177.598 176.519 0.011 0.000 1.188 1225 W CA 0.049 57.402 57.345 0.013 0.000 1.651 1225 W CB -0.343 29.122 29.460 0.007 0.000 1.051 1225 W HN 0.670 nan 8.180 nan 0.000 0.592 1226 A N 0.638 123.434 122.820 -0.040 0.000 2.508 1226 A HA 0.593 4.913 4.320 0.000 0.000 0.250 1226 A C 1.713 179.280 177.584 -0.028 0.000 1.208 1226 A CA 0.252 52.311 52.037 0.036 0.000 0.960 1226 A CB -0.601 18.445 19.000 0.077 0.000 1.099 1226 A HN 0.768 nan 8.150 nan 0.000 0.542 1227 G N 0.346 109.108 108.800 -0.064 0.000 2.249 1227 G HA2 -0.261 3.699 3.960 0.000 0.000 0.273 1227 G HA3 -0.261 3.699 3.960 0.000 0.000 0.273 1227 G C -0.123 174.749 174.900 -0.047 0.000 1.036 1227 G CA 0.523 45.598 45.100 -0.041 0.000 0.824 1227 G HN 0.693 nan 8.290 nan 0.000 0.504 1228 N N -0.107 118.547 118.700 -0.077 0.000 2.751 1228 N HA 0.309 5.049 4.740 0.000 0.000 0.238 1228 N C 0.630 176.098 175.510 -0.069 0.000 1.351 1228 N CA -0.308 52.704 53.050 -0.062 0.000 0.751 1228 N CB -0.233 38.223 38.487 -0.051 0.000 1.342 1228 N HN 0.739 nan 8.380 nan 0.000 0.540 1229 I N 0.757 121.303 120.570 -0.040 0.000 7.004 1229 I HA -0.328 3.842 4.170 0.000 0.000 0.126 1229 I C 0.006 176.148 176.117 0.041 0.000 1.826 1229 I CA 0.003 61.306 61.300 0.005 0.000 2.066 1229 I CB -0.821 37.112 38.000 -0.112 0.000 3.565 1229 I HN 0.359 nan 8.210 nan 0.000 0.178 1230 L N 5.218 126.430 121.223 -0.018 0.000 2.640 1230 L HA 0.088 4.428 4.340 0.000 0.000 0.280 1230 L C 0.931 177.834 176.870 0.055 0.000 1.229 1230 L CA 1.166 55.909 54.840 -0.161 0.000 0.919 1230 L CB 0.064 41.946 42.059 -0.295 0.000 1.168 1230 L HN 0.532 nan 8.230 nan 0.000 0.496 1231 R N 2.377 122.886 120.500 0.014 0.000 2.752 1231 R HA 0.765 5.105 4.340 0.000 0.000 0.271 1231 R C -0.868 175.466 176.300 0.056 0.000 1.026 1231 R CA -0.681 55.489 56.100 0.117 0.000 0.901 1231 R CB 1.512 31.913 30.300 0.169 0.000 1.243 1231 R HN 0.514 nan 8.270 nan 0.000 0.463 1232 T N -1.591 113.004 114.554 0.068 0.000 2.564 1232 T HA 0.166 4.516 4.350 0.000 0.000 0.265 1232 T C 0.323 175.035 174.700 0.020 0.000 0.908 1232 T CA -0.337 61.785 62.100 0.037 0.000 1.166 1232 T CB 1.300 70.184 68.868 0.027 0.000 1.497 1232 T HN 0.641 nan 8.240 nan 0.000 0.484 1233 Q N 0.088 119.872 119.800 -0.027 0.000 2.079 1233 Q HA 0.001 4.341 4.340 0.000 0.000 0.200 1233 Q C -0.082 175.877 176.000 -0.069 0.000 0.974 1233 Q CA 1.303 57.068 55.803 -0.063 0.000 0.840 1233 Q CB 0.084 28.758 28.738 -0.107 0.000 0.898 1233 Q HN 0.615 nan 8.270 nan 0.000 0.430 1234 E N -0.433 119.704 120.200 -0.105 0.000 3.286 1234 E HA -0.165 4.185 4.350 0.000 0.000 0.292 1234 E C -0.423 175.975 176.600 -0.338 0.000 0.928 1234 E CA 1.194 57.553 56.400 -0.068 0.000 0.982 1234 E CB -2.174 27.656 29.700 0.217 0.000 1.500 1234 E HN 0.471 nan 8.360 nan 0.000 0.441 1235 S N -1.576 113.713 115.700 -0.686 0.000 2.672 1235 S HA 0.496 4.966 4.470 0.000 0.000 0.271 1235 S C -0.261 173.864 174.600 -0.793 0.000 1.171 1235 S CA -0.647 57.008 58.200 -0.908 0.000 0.817 1235 S CB 2.005 65.180 63.200 -0.040 0.000 1.150 1235 S HN 0.222 nan 8.310 nan 0.000 0.478 1236 E N -0.079 119.896 120.200 -0.375 0.000 2.404 1236 E HA 0.429 4.779 4.350 0.000 0.000 0.261 1236 E C 0.531 177.098 176.600 -0.056 0.000 1.074 1236 E CA -0.832 55.477 56.400 -0.151 0.000 0.917 1236 E CB 0.178 29.922 29.700 0.074 0.000 0.965 1236 E HN 0.835 nan 8.360 nan 0.000 0.433 1237 c N 1.321 119.904 118.600 -0.029 0.000 2.551 1237 c HA 0.798 5.368 4.570 0.000 0.000 0.377 1237 c C 0.080 174.209 174.090 0.064 0.000 1.622 1237 c CA -0.869 55.465 56.329 0.008 0.000 1.980 1237 c CB -0.079 42.431 42.510 0.000 0.000 1.946 1237 c HN 0.597 nan 8.230 nan 0.000 0.525 1238 V N -0.526 119.407 119.914 0.031 0.000 2.808 1238 V HA 0.541 4.661 4.120 0.000 0.000 0.308 1238 V C -0.447 175.632 176.094 -0.025 0.000 1.099 1238 V CA -0.225 62.061 62.300 -0.022 0.000 0.920 1238 V CB 1.071 32.855 31.823 -0.064 0.000 1.014 1238 V HN 1.192 nan 8.190 nan 0.000 0.425 1239 c N 3.063 121.633 118.600 -0.050 0.000 2.614 1239 c HA 0.755 5.325 4.570 0.000 0.000 0.320 1239 c C -0.396 173.705 174.090 0.018 0.000 1.200 1239 c CA -0.521 55.820 56.329 0.019 0.000 1.700 1239 c CB 1.265 43.828 42.510 0.090 0.000 2.275 1239 c HN 1.038 nan 8.230 nan 0.000 0.492 1240 H N 1.223 120.255 119.070 -0.064 0.000 2.934 1240 H HA 0.241 4.797 4.556 0.000 0.000 0.340 1240 H C -0.445 174.841 175.328 -0.070 0.000 1.008 1240 H CA -0.228 55.787 56.048 -0.055 0.000 1.317 1240 H CB 0.684 30.423 29.762 -0.038 0.000 1.670 1240 H HN 0.888 nan 8.280 nan 0.000 0.516 1241 K N 3.326 123.467 120.400 -0.431 0.000 3.016 1241 K HA -0.241 4.079 4.320 0.000 0.000 0.262 1241 K C 0.882 177.127 176.600 -0.591 0.000 1.043 1241 K CA 0.922 56.977 56.287 -0.387 0.000 0.761 1241 K CB -1.450 30.811 32.500 -0.398 0.000 1.230 1241 K HN 1.083 nan 8.250 nan 0.000 0.485 1242 G N -1.403 106.980 108.800 -0.696 0.000 2.205 1242 G HA2 -0.316 3.645 3.960 0.000 0.000 0.261 1242 G HA3 -0.316 3.645 3.960 0.000 0.000 0.261 1242 G C 0.151 174.823 174.900 -0.380 0.000 0.980 1242 G CA 0.126 44.628 45.100 -0.996 0.000 0.632 1242 G HN 0.250 nan 8.290 nan 0.000 0.533 1243 V N 1.235 121.034 119.914 -0.193 0.000 2.364 1243 V HA 0.480 4.600 4.120 0.000 0.000 0.272 1243 V C 0.480 176.614 176.094 0.065 0.000 1.036 1243 V CA -0.314 61.972 62.300 -0.023 0.000 0.880 1243 V CB 1.318 33.160 31.823 0.030 0.000 0.991 1243 V HN 0.450 nan 8.190 nan 0.000 0.460 1244 c N 7.626 126.293 118.600 0.113 0.000 2.291 1244 c HA 0.471 5.041 4.570 0.000 0.000 0.322 1244 c C -2.433 171.731 174.090 0.124 0.000 1.205 1244 c CA -1.662 54.739 56.329 0.119 0.000 1.495 1244 c CB 0.617 43.208 42.510 0.135 0.000 2.127 1244 c HN 0.601 nan 8.230 nan 0.000 0.452 1245 P HA 0.380 nan 4.420 nan 0.000 0.275 1245 P C -0.659 176.570 177.300 -0.118 0.000 1.227 1245 P CA 0.020 62.966 63.100 -0.257 0.000 0.781 1245 P CB 0.790 32.228 31.700 -0.437 0.000 0.906 1246 V N 3.876 123.725 119.914 -0.108 0.000 2.588 1246 V HA 0.275 4.395 4.120 0.000 0.000 0.304 1246 V C -0.072 175.981 176.094 -0.067 0.000 1.042 1246 V CA -0.782 61.523 62.300 0.008 0.000 0.877 1246 V CB 2.420 34.383 31.823 0.234 0.000 0.996 1246 V HN 0.206 nan 8.190 nan 0.000 0.425 1247 V N 5.953 125.826 119.914 -0.067 0.000 2.439 1247 V HA 0.557 4.677 4.120 0.000 0.000 0.282 1247 V C 0.023 176.125 176.094 0.014 0.000 1.039 1247 V CA -0.177 62.081 62.300 -0.070 0.000 0.913 1247 V CB 1.347 33.113 31.823 -0.096 0.000 0.983 1247 V HN 0.836 nan 8.190 nan 0.000 0.460 1248 M N 3.213 122.861 119.600 0.080 0.000 2.518 1248 M HA 0.565 5.046 4.480 0.000 0.000 0.300 1248 M C -0.699 175.732 176.300 0.219 0.000 1.175 1248 M CA -0.289 55.112 55.300 0.168 0.000 0.890 1248 M CB 2.896 35.693 32.600 0.329 0.000 1.710 1248 M HN 0.588 nan 8.290 nan 0.000 0.453 1249 T N 0.421 115.049 114.554 0.124 0.000 2.893 1249 T HA 0.532 4.882 4.350 0.000 0.000 0.293 1249 T C -1.667 173.010 174.700 -0.038 0.000 1.027 1249 T CA -0.625 61.534 62.100 0.098 0.000 0.988 1249 T CB 1.808 70.667 68.868 -0.015 0.000 1.043 1249 T HN 0.556 nan 8.240 nan 0.000 0.461 1250 D N 0.382 120.758 120.400 -0.040 0.000 2.936 1250 D HA 0.635 5.275 4.640 0.000 0.000 0.238 1250 D C -0.135 176.131 176.300 -0.058 0.000 1.248 1250 D CA 0.349 54.202 54.000 -0.246 0.000 0.903 1250 D CB 1.574 41.830 40.800 -0.908 0.000 1.544 1250 D HN 0.993 nan 8.370 nan 0.000 0.543 1251 G N 2.667 111.435 108.800 -0.054 0.000 2.361 1251 G HA2 0.089 4.049 3.960 0.000 0.000 0.331 1251 G HA3 0.089 4.049 3.960 0.000 0.000 0.331 1251 G C -3.010 171.889 174.900 -0.002 0.000 1.324 1251 G CA -1.027 44.066 45.100 -0.012 0.000 0.984 1251 G HN 0.380 nan 8.290 nan 0.000 0.586 1252 P HA 0.368 nan 4.420 nan 0.000 0.266 1252 P C 0.805 178.125 177.300 0.035 0.000 1.193 1252 P CA 0.934 64.009 63.100 -0.042 0.000 0.770 1252 P CB 0.926 32.548 31.700 -0.129 0.000 0.836 1253 A N 2.833 125.658 122.820 0.010 0.000 2.132 1253 A HA -0.045 4.275 4.320 0.000 0.000 0.213 1253 A C 1.040 178.556 177.584 -0.113 0.000 1.154 1253 A CA 0.878 52.947 52.037 0.054 0.000 0.753 1253 A CB -0.677 18.346 19.000 0.039 0.000 0.826 1253 A HN 0.676 nan 8.150 nan 0.000 0.469 1254 N N -0.868 117.727 118.700 -0.175 0.000 2.377 1254 N HA 0.143 4.883 4.740 0.000 0.000 0.259 1254 N C -0.713 174.565 175.510 -0.386 0.000 1.332 1254 N CA -0.281 52.676 53.050 -0.155 0.000 0.877 1254 N CB -0.064 38.398 38.487 -0.041 0.000 1.299 1254 N HN 0.205 nan 8.380 nan 0.000 0.501 1255 N N 0.390 118.620 118.700 -0.783 0.000 3.116 1255 N HA 0.220 4.960 4.740 0.000 0.000 0.244 1255 N C -1.333 173.420 175.510 -1.261 0.000 1.485 1255 N CA -0.535 51.674 53.050 -1.401 0.000 0.884 1255 N CB 2.120 40.222 38.487 -0.641 0.000 1.415 1255 N HN 0.152 nan 8.380 nan 0.000 0.524 1256 R N 0.634 120.244 120.500 -1.483 0.000 2.538 1256 R HA 0.347 4.688 4.340 0.000 0.000 0.273 1256 R C -0.479 175.701 176.300 -0.199 0.000 0.967 1256 R CA 0.780 56.515 56.100 -0.607 0.000 1.101 1256 R CB -0.176 29.911 30.300 -0.356 0.000 0.908 1256 R HN 0.536 nan 8.270 nan 0.000 0.411 1257 A N 2.953 125.779 122.820 0.009 0.000 2.475 1257 A HA 0.807 5.127 4.320 0.000 0.000 0.281 1257 A C -1.371 176.256 177.584 0.073 0.000 1.263 1257 A CA -0.406 51.653 52.037 0.037 0.000 0.776 1257 A CB 1.570 20.602 19.000 0.053 0.000 1.347 1257 A HN 0.826 nan 8.150 nan 0.000 0.443 1258 A N 0.536 123.442 122.820 0.143 0.000 2.316 1258 A HA 0.641 4.961 4.320 0.000 0.000 0.324 1258 A C -0.245 177.540 177.584 0.335 0.000 1.375 1258 A CA -0.225 51.957 52.037 0.243 0.000 0.882 1258 A CB -0.173 19.066 19.000 0.397 0.000 1.152 1258 A HN 0.664 nan 8.150 nan 0.000 0.512 1259 T N 2.905 117.551 114.554 0.154 0.000 2.829 1259 T HA 0.484 4.834 4.350 0.000 0.000 0.282 1259 T C -0.134 174.570 174.700 0.007 0.000 0.990 1259 T CA -0.237 61.934 62.100 0.118 0.000 1.028 1259 T CB 0.922 69.793 68.868 0.006 0.000 0.951 1259 T HN 0.642 nan 8.240 nan 0.000 0.460 1260 K N 2.163 122.566 120.400 0.006 0.000 2.385 1260 K HA 0.610 4.930 4.320 0.000 0.000 0.248 1260 K C -0.958 175.541 176.600 -0.168 0.000 0.955 1260 K CA -1.052 55.124 56.287 -0.184 0.000 0.816 1260 K CB 1.868 34.084 32.500 -0.472 0.000 1.250 1260 K HN 0.329 nan 8.250 nan 0.000 0.434 1261 I N 3.454 123.874 120.570 -0.250 0.000 2.330 1261 I HA 0.364 4.534 4.170 0.000 0.000 0.289 1261 I C -0.232 175.676 176.117 -0.348 0.000 1.001 1261 I CA -0.508 60.584 61.300 -0.345 0.000 1.193 1261 I CB 0.603 38.320 38.000 -0.472 0.000 1.345 1261 I HN 0.496 nan 8.210 nan 0.000 0.461 1262 I N 6.694 127.037 120.570 -0.379 0.000 2.362 1262 I HA 0.286 4.456 4.170 0.000 0.000 0.289 1262 I C -0.876 174.856 176.117 -0.641 0.000 0.994 1262 I CA -0.797 60.235 61.300 -0.447 0.000 1.158 1262 I CB 1.176 38.915 38.000 -0.435 0.000 1.315 1262 I HN 0.310 nan 8.210 nan 0.000 0.451 1263 Y N 6.033 126.066 120.300 -0.444 0.000 2.341 1263 Y HA 0.456 5.006 4.550 0.000 0.000 0.340 1263 Y C -0.287 175.359 175.900 -0.423 0.000 0.997 1263 Y CA -0.368 57.550 58.100 -0.302 0.000 1.149 1263 Y CB 0.538 38.893 38.460 -0.174 0.000 1.171 1263 Y HN 0.315 nan 8.280 nan 0.000 0.494 1264 F N 2.275 122.255 119.950 0.050 0.000 2.470 1264 F HA 0.596 5.123 4.527 0.000 0.000 0.329 1264 F C -0.019 175.752 175.800 -0.049 0.000 1.072 1264 F CA -1.158 56.839 58.000 -0.006 0.000 0.989 1264 F CB 1.833 40.823 39.000 -0.016 0.000 1.193 1264 F HN 0.196 nan 8.300 nan 0.000 0.481 1265 K N 1.505 121.961 120.400 0.093 0.000 2.601 1265 K HA 0.241 4.561 4.320 0.000 0.000 0.249 1265 K C -0.759 175.722 176.600 -0.198 0.000 0.966 1265 K CA -0.377 55.866 56.287 -0.073 0.000 0.827 1265 K CB 0.944 33.382 32.500 -0.103 0.000 1.178 1265 K HN 0.791 nan 8.250 nan 0.000 0.437 1266 E N 2.375 122.282 120.200 -0.488 0.000 2.476 1266 E HA -0.273 4.077 4.350 0.000 0.000 0.251 1266 E C 0.473 176.611 176.600 -0.770 0.000 1.130 1266 E CA 0.732 56.399 56.400 -1.222 0.000 0.736 1266 E CB -1.454 27.873 29.700 -0.622 0.000 1.298 1266 E HN 1.175 nan 8.360 nan 0.000 0.400 1267 G N -0.058 108.531 108.800 -0.352 0.000 2.184 1267 G HA2 -0.377 3.583 3.960 0.000 0.000 0.264 1267 G HA3 -0.377 3.583 3.960 0.000 0.000 0.264 1267 G C 0.176 175.134 174.900 0.096 0.000 0.975 1267 G CA 0.957 46.009 45.100 -0.080 0.000 0.642 1267 G HN 0.269 nan 8.290 nan 0.000 0.536 1268 K N -0.040 120.412 120.400 0.086 0.000 2.138 1268 K HA 0.606 4.926 4.320 0.000 0.000 0.263 1268 K C 0.499 177.184 176.600 0.141 0.000 0.965 1268 K CA -0.931 55.416 56.287 0.099 0.000 0.868 1268 K CB 1.642 34.145 32.500 0.006 0.000 1.083 1268 K HN 0.197 nan 8.250 nan 0.000 0.443 1269 I N 3.680 124.291 120.570 0.068 0.000 2.517 1269 I HA -0.110 4.060 4.170 0.000 0.000 0.285 1269 I C 1.319 177.376 176.117 -0.101 0.000 1.106 1269 I CA 0.161 61.385 61.300 -0.127 0.000 1.402 1269 I CB 0.701 38.626 38.000 -0.126 0.000 1.399 1269 I HN 0.512 nan 8.210 nan 0.000 0.535 1270 Q N 5.223 124.949 119.800 -0.123 0.000 2.349 1270 Q HA 0.209 4.549 4.340 0.000 0.000 0.209 1270 Q C 0.244 176.184 176.000 -0.100 0.000 0.920 1270 Q CA 0.660 56.412 55.803 -0.086 0.000 0.901 1270 Q CB 0.585 29.282 28.738 -0.069 0.000 1.021 1270 Q HN 0.595 nan 8.270 nan 0.000 0.519 1271 K N -0.235 120.107 120.400 -0.096 0.000 2.610 1271 K HA 0.380 4.700 4.320 0.000 0.000 0.267 1271 K C -1.836 174.760 176.600 -0.007 0.000 0.943 1271 K CA -0.256 55.985 56.287 -0.078 0.000 0.862 1271 K CB 1.178 33.576 32.500 -0.171 0.000 1.376 1271 K HN -0.060 nan 8.250 nan 0.000 0.412 1272 I N 2.754 123.294 120.570 -0.049 0.000 2.465 1272 I HA 0.353 4.523 4.170 0.000 0.000 0.291 1272 I C -0.642 175.447 176.117 -0.046 0.000 1.014 1272 I CA -0.640 60.613 61.300 -0.079 0.000 1.093 1272 I CB 2.109 40.011 38.000 -0.163 0.000 1.267 1272 I HN 0.520 nan 8.210 nan 0.000 0.431 1273 E N 4.907 125.096 120.200 -0.019 0.000 2.222 1273 E HA 0.358 4.708 4.350 0.000 0.000 0.267 1273 E C -1.186 175.372 176.600 -0.070 0.000 0.884 1273 E CA -0.827 55.580 56.400 0.013 0.000 0.764 1273 E CB 2.379 32.189 29.700 0.183 0.000 1.169 1273 E HN 0.490 nan 8.360 nan 0.000 0.413 1274 E N 1.614 121.785 120.200 -0.048 0.000 2.338 1274 E HA 0.089 4.439 4.350 0.000 0.000 0.272 1274 E C -0.400 176.228 176.600 0.047 0.000 1.029 1274 E CA -0.473 55.889 56.400 -0.064 0.000 0.872 1274 E CB 0.801 30.465 29.700 -0.059 0.000 1.015 1274 E HN 0.219 nan 8.360 nan 0.000 0.417 1275 L N 2.898 124.124 121.223 0.006 0.000 2.540 1275 L HA 0.154 4.494 4.340 0.000 0.000 0.276 1275 L C -0.543 176.447 176.870 0.200 0.000 1.212 1275 L CA 0.709 55.608 54.840 0.097 0.000 0.893 1275 L CB 0.176 42.245 42.059 0.016 0.000 1.138 1275 L HN 0.587 nan 8.230 nan 0.000 0.491 1276 A N 3.311 126.352 122.820 0.368 0.000 2.437 1276 A HA 0.982 5.303 4.320 0.000 0.000 0.292 1276 A C 0.254 177.882 177.584 0.072 0.000 1.173 1276 A CA -0.069 52.032 52.037 0.106 0.000 0.785 1276 A CB 0.841 19.801 19.000 -0.066 0.000 1.351 1276 A HN 1.865 nan 8.150 nan 0.000 0.431 1277 G N -0.153 108.658 108.800 0.018 0.000 2.548 1277 G HA2 -0.114 3.847 3.960 0.000 0.000 0.208 1277 G HA3 -0.114 3.847 3.960 0.000 0.000 0.208 1277 G C -0.106 174.824 174.900 0.049 0.000 1.308 1277 G CA 0.161 45.272 45.100 0.019 0.000 0.924 1277 G HN 0.860 nan 8.290 nan 0.000 0.540 1278 N N 0.803 119.536 118.700 0.054 0.000 2.299 1278 N HA 0.368 5.108 4.740 0.000 0.000 0.187 1278 N C 1.132 176.725 175.510 0.140 0.000 1.099 1278 N CA 0.871 53.985 53.050 0.106 0.000 0.867 1278 N CB 0.424 38.989 38.487 0.130 0.000 0.974 1278 N HN 1.111 nan 8.380 nan 0.000 0.477 1279 A N 0.857 123.667 122.820 -0.017 0.000 2.488 1279 A HA 0.069 4.389 4.320 0.000 0.000 0.249 1279 A C 1.047 178.686 177.584 0.091 0.000 1.083 1279 A CA 0.080 52.005 52.037 -0.186 0.000 0.768 1279 A CB 0.358 19.180 19.000 -0.297 0.000 1.017 1279 A HN 0.212 nan 8.150 nan 0.000 0.496 1280 Q N -0.043 119.919 119.800 0.271 0.000 2.396 1280 Q HA 0.071 4.411 4.340 0.000 0.000 0.209 1280 Q C -0.364 175.947 176.000 0.517 0.000 0.906 1280 Q CA 0.636 56.668 55.803 0.382 0.000 0.927 1280 Q CB 0.325 29.270 28.738 0.344 0.000 1.069 1280 Q HN 0.897 nan 8.270 nan 0.000 0.523 1281 H N -0.642 118.596 119.070 0.281 0.000 3.086 1281 H HA 0.357 4.913 4.556 0.000 0.000 0.353 1281 H C -1.802 173.601 175.328 0.125 0.000 1.134 1281 H CA -0.598 55.600 56.048 0.251 0.000 1.248 1281 H CB 1.045 31.041 29.762 0.390 0.000 1.878 1281 H HN -0.125 nan 8.280 nan 0.000 0.527 1282 I N 4.184 124.561 120.570 -0.322 0.000 2.499 1282 I HA 0.356 4.526 4.170 0.000 0.000 0.288 1282 I C -0.700 175.276 176.117 -0.235 0.000 1.048 1282 I CA -0.574 60.608 61.300 -0.196 0.000 1.062 1282 I CB 1.724 39.649 38.000 -0.126 0.000 1.238 1282 I HN 0.670 nan 8.210 nan 0.000 0.426 1283 E N 4.584 124.725 120.200 -0.100 0.000 2.383 1283 E HA 0.314 4.664 4.350 0.000 0.000 0.275 1283 E C -0.815 175.761 176.600 -0.040 0.000 0.918 1283 E CA -0.732 55.637 56.400 -0.051 0.000 0.764 1283 E CB 2.239 31.950 29.700 0.018 0.000 1.252 1283 E HN 0.468 nan 8.360 nan 0.000 0.449 1284 E N 0.080 120.261 120.200 -0.031 0.000 2.228 1284 E HA -0.206 4.144 4.350 0.000 0.000 0.213 1284 E C -0.660 175.906 176.600 -0.056 0.000 1.282 1284 E CA 0.163 56.534 56.400 -0.048 0.000 0.707 1284 E CB -1.639 27.994 29.700 -0.112 0.000 1.150 1284 E HN 0.378 nan 8.360 nan 0.000 0.362 1285 c N 1.302 119.874 118.600 -0.048 0.000 2.634 1285 c HA 0.145 4.715 4.570 0.000 0.000 0.418 1285 c C 1.186 175.262 174.090 -0.023 0.000 1.373 1285 c CA -0.174 56.131 56.329 -0.041 0.000 1.756 1285 c CB 0.303 42.781 42.510 -0.054 0.000 2.589 1285 c HN 0.358 nan 8.230 nan 0.000 0.602 1286 S N 2.283 117.990 115.700 0.011 0.000 2.448 1286 S HA 0.429 4.900 4.470 0.000 0.000 0.320 1286 S C -0.311 174.334 174.600 0.074 0.000 1.071 1286 S CA -0.468 57.765 58.200 0.055 0.000 1.113 1286 S CB 0.380 63.646 63.200 0.109 0.000 0.972 1286 S HN 0.842 nan 8.310 nan 0.000 0.465 1287 c N 3.613 122.264 118.600 0.084 0.000 2.529 1287 c HA 0.905 5.475 4.570 0.000 0.000 0.329 1287 c C -0.540 173.686 174.090 0.227 0.000 1.194 1287 c CA -0.964 55.411 56.329 0.077 0.000 1.779 1287 c CB 0.024 42.535 42.510 0.002 0.000 2.322 1287 c HN 0.946 nan 8.230 nan 0.000 0.500 1288 Y N -0.626 119.741 120.300 0.111 0.000 2.609 1288 Y HA 0.778 5.328 4.550 0.000 0.000 0.336 1288 Y C -0.360 175.680 175.900 0.233 0.000 1.129 1288 Y CA -0.876 57.376 58.100 0.252 0.000 1.040 1288 Y CB 0.864 39.527 38.460 0.338 0.000 1.310 1288 Y HN 0.849 nan 8.280 nan 0.000 0.460 1289 G N 0.557 109.555 108.800 0.329 0.000 2.453 1289 G HA2 0.870 4.830 3.960 0.000 0.000 0.323 1289 G HA3 0.870 4.830 3.960 0.000 0.000 0.323 1289 G C -1.656 173.529 174.900 0.476 0.000 1.198 1289 G CA -0.626 44.564 45.100 0.150 0.000 0.959 1289 G HN 1.499 nan 8.290 nan 0.000 0.482 1290 A N -0.430 122.614 122.820 0.373 0.000 2.594 1290 A HA 0.718 5.038 4.320 0.000 0.000 0.296 1290 A C 0.565 178.298 177.584 0.248 0.000 1.056 1290 A CA 0.397 52.734 52.037 0.501 0.000 0.693 1290 A CB 0.732 20.041 19.000 0.515 0.000 1.278 1290 A HN 2.586 nan 8.150 nan 0.000 0.408 1291 G N 0.204 109.113 108.800 0.182 0.000 2.390 1291 G HA2 0.192 4.152 3.960 0.000 0.000 0.299 1291 G HA3 0.192 4.152 3.960 0.000 0.000 0.299 1291 G C 1.821 176.744 174.900 0.039 0.000 1.002 1291 G CA 1.813 46.962 45.100 0.082 0.000 0.979 1291 G HN 2.977 nan 8.290 nan 0.000 0.513 1292 G N -3.468 105.339 108.800 0.010 0.000 2.162 1292 G HA2 -0.023 3.937 3.960 0.000 0.000 0.260 1292 G HA3 -0.023 3.937 3.960 0.000 0.000 0.260 1292 G C 0.315 175.106 174.900 -0.181 0.000 0.976 1292 G CA 0.638 45.630 45.100 -0.179 0.000 0.655 1292 G HN 1.671 nan 8.290 nan 0.000 0.533 1293 V N 1.026 120.895 119.914 -0.074 0.000 2.604 1293 V HA 0.676 4.796 4.120 0.000 0.000 0.305 1293 V C 0.267 176.303 176.094 -0.096 0.000 1.043 1293 V CA -0.843 61.413 62.300 -0.072 0.000 0.888 1293 V CB 2.038 33.843 31.823 -0.030 0.000 0.995 1293 V HN 0.266 nan 8.190 nan 0.000 0.429 1294 I N 4.454 124.953 120.570 -0.119 0.000 2.362 1294 I HA 0.441 4.611 4.170 0.000 0.000 0.289 1294 I C -0.110 175.880 176.117 -0.213 0.000 0.994 1294 I CA -0.459 60.736 61.300 -0.176 0.000 1.158 1294 I CB 1.361 39.291 38.000 -0.116 0.000 1.315 1294 I HN 0.488 nan 8.210 nan 0.000 0.451 1295 K N 5.622 125.783 120.400 -0.397 0.000 2.235 1295 K HA 0.569 4.889 4.320 0.000 0.000 0.266 1295 K C -1.344 175.112 176.600 -0.240 0.000 0.980 1295 K CA -0.580 55.528 56.287 -0.299 0.000 0.849 1295 K CB 1.909 34.238 32.500 -0.286 0.000 1.098 1295 K HN 0.516 nan 8.250 nan 0.000 0.445 1296 c N 3.969 122.502 118.600 -0.112 0.000 2.298 1296 c HA 0.465 5.035 4.570 0.000 0.000 0.323 1296 c C -0.280 173.789 174.090 -0.036 0.000 1.284 1296 c CA -0.967 55.324 56.329 -0.063 0.000 1.577 1296 c CB -0.517 41.949 42.510 -0.073 0.000 2.249 1296 c HN 0.643 nan 8.230 nan 0.000 0.497 1297 I N 3.430 123.998 120.570 -0.002 0.000 2.321 1297 I HA 0.468 4.639 4.170 0.000 0.000 0.291 1297 I C 0.444 176.552 176.117 -0.014 0.000 0.998 1297 I CA 0.344 61.640 61.300 -0.006 0.000 1.227 1297 I CB 0.506 38.510 38.000 0.008 0.000 1.368 1297 I HN 0.740 nan 8.210 nan 0.000 0.466 1298 c N 4.473 123.053 118.600 -0.034 0.000 3.017 1298 c HA 0.714 5.284 4.570 0.000 0.000 0.380 1298 c C 0.200 174.281 174.090 -0.015 0.000 1.583 1298 c CA -1.121 55.188 56.329 -0.035 0.000 1.616 1298 c CB 1.761 44.238 42.510 -0.055 0.000 2.145 1298 c HN 0.748 nan 8.230 nan 0.000 0.466 1299 R N 1.206 121.704 120.500 -0.004 0.000 2.360 1299 R HA 0.406 4.746 4.340 0.000 0.000 0.318 1299 R C -1.600 174.775 176.300 0.125 0.000 0.950 1299 R CA 0.009 56.135 56.100 0.042 0.000 0.837 1299 R CB 0.775 31.079 30.300 0.006 0.000 1.165 1299 R HN 0.847 nan 8.270 nan 0.000 0.458 1300 D N 3.332 123.845 120.400 0.188 0.000 2.396 1300 D HA 0.054 4.694 4.640 0.000 0.000 0.225 1300 D C -0.060 176.429 176.300 0.316 0.000 1.121 1300 D CA -0.264 53.934 54.000 0.329 0.000 0.853 1300 D CB 1.203 42.214 40.800 0.352 0.000 1.043 1300 D HN 0.643 nan 8.370 nan 0.000 0.500 1301 N N 3.114 122.086 118.700 0.454 0.000 2.412 1301 N HA 0.011 4.751 4.740 0.000 0.000 0.184 1301 N C 0.730 176.267 175.510 0.044 0.000 1.101 1301 N CA 0.162 53.328 53.050 0.192 0.000 0.881 1301 N CB 0.074 38.691 38.487 0.216 0.000 0.969 1301 N HN 0.510 nan 8.380 nan 0.000 0.459 1302 W N 0.645 121.760 121.300 -0.308 0.000 2.633 1302 W HA 0.262 4.922 4.660 0.000 0.000 0.295 1302 W C 1.349 177.813 176.519 -0.091 0.000 1.133 1302 W CA 1.237 58.403 57.345 -0.298 0.000 1.490 1302 W CB -0.019 29.211 29.460 -0.383 0.000 1.127 1302 W HN -0.138 nan 8.180 nan 0.000 0.538 1303 K N -1.445 118.911 120.400 -0.074 0.000 2.418 1303 K HA 0.268 4.588 4.320 0.000 0.000 0.208 1303 K C 1.050 177.589 176.600 -0.100 0.000 1.261 1303 K CA 0.512 56.659 56.287 -0.234 0.000 0.874 1303 K CB -0.148 32.064 32.500 -0.481 0.000 1.451 1303 K HN -0.102 nan 8.250 nan 0.000 0.466 1304 G N 0.388 109.180 108.800 -0.013 0.000 2.432 1304 G HA2 0.362 4.322 3.960 0.000 0.000 0.257 1304 G HA3 0.362 4.322 3.960 0.000 0.000 0.257 1304 G C 0.372 175.288 174.900 0.027 0.000 1.238 1304 G CA -0.024 45.057 45.100 -0.031 0.000 0.838 1304 G HN 0.293 nan 8.290 nan 0.000 0.547 1305 A N 2.105 124.915 122.820 -0.016 0.000 2.267 1305 A HA 0.184 4.504 4.320 0.000 0.000 0.213 1305 A C 1.165 178.758 177.584 0.015 0.000 1.192 1305 A CA -0.075 51.964 52.037 0.003 0.000 0.851 1305 A CB -0.258 18.731 19.000 -0.018 0.000 0.881 1305 A HN 0.710 nan 8.150 nan 0.000 0.494 1306 N N 0.490 119.202 118.700 0.021 0.000 2.508 1306 N HA 0.282 5.022 4.740 0.000 0.000 0.285 1306 N C -0.661 174.972 175.510 0.205 0.000 1.144 1306 N CA -0.449 52.646 53.050 0.075 0.000 0.978 1306 N CB 0.522 39.036 38.487 0.045 0.000 1.180 1306 N HN 0.162 nan 8.380 nan 0.000 0.484 1307 R N 0.301 120.898 120.500 0.161 0.000 2.349 1307 R HA 0.392 4.732 4.340 0.000 0.000 0.299 1307 R C -2.273 174.079 176.300 0.085 0.000 1.027 1307 R CA -1.579 54.594 56.100 0.122 0.000 0.958 1307 R CB 0.731 31.048 30.300 0.029 0.000 1.047 1307 R HN 0.450 nan 8.270 nan 0.000 0.468 1308 P HA 0.041 nan 4.420 nan 0.000 0.271 1308 P C -0.814 176.373 177.300 -0.188 0.000 1.218 1308 P CA -0.172 62.685 63.100 -0.405 0.000 0.780 1308 P CB 0.735 32.180 31.700 -0.425 0.000 0.901 1309 V N 4.753 124.562 119.914 -0.174 0.000 2.444 1309 V HA 0.379 4.499 4.120 0.000 0.000 0.294 1309 V C 0.185 176.236 176.094 -0.072 0.000 1.022 1309 V CA -0.430 61.822 62.300 -0.080 0.000 0.850 1309 V CB 1.385 33.190 31.823 -0.029 0.000 0.992 1309 V HN 0.391 nan 8.190 nan 0.000 0.426 1310 I N 3.668 124.204 120.570 -0.057 0.000 2.336 1310 I HA 0.431 4.601 4.170 0.000 0.000 0.292 1310 I C 0.156 176.263 176.117 -0.016 0.000 0.991 1310 I CA -0.070 61.216 61.300 -0.023 0.000 1.227 1310 I CB 1.933 39.900 38.000 -0.055 0.000 1.366 1310 I HN 0.513 nan 8.210 nan 0.000 0.466 1311 T N 7.289 121.857 114.554 0.022 0.000 2.758 1311 T HA 0.597 4.948 4.350 0.000 0.000 0.285 1311 T C -0.176 174.552 174.700 0.048 0.000 0.981 1311 T CA -0.292 61.812 62.100 0.006 0.000 0.965 1311 T CB 0.788 69.659 68.868 0.005 0.000 0.927 1311 T HN 0.261 nan 8.240 nan 0.000 0.448 1312 I N 2.782 123.363 120.570 0.018 0.000 2.433 1312 I HA 0.324 4.494 4.170 0.000 0.000 0.292 1312 I C -0.274 175.869 176.117 0.044 0.000 1.001 1312 I CA -0.869 60.474 61.300 0.072 0.000 1.119 1312 I CB 1.771 39.795 38.000 0.040 0.000 1.289 1312 I HN 0.470 nan 8.210 nan 0.000 0.438 1313 D N 8.834 129.277 120.400 0.072 0.000 2.412 1313 D HA 0.234 4.874 4.640 0.000 0.000 0.224 1313 D C -1.786 174.543 176.300 0.049 0.000 1.093 1313 D CA -2.234 51.774 54.000 0.014 0.000 0.850 1313 D CB 1.778 42.575 40.800 -0.006 0.000 1.046 1313 D HN 0.216 nan 8.370 nan 0.000 0.507 1314 P HA -0.016 nan 4.420 nan 0.000 0.233 1314 P C 0.757 178.103 177.300 0.076 0.000 1.167 1314 P CA 0.648 63.811 63.100 0.106 0.000 0.770 1314 P CB 0.793 32.536 31.700 0.071 0.000 0.837 1315 E N -0.733 119.486 120.200 0.031 0.000 2.075 1315 E HA 0.061 4.411 4.350 0.000 0.000 0.190 1315 E C 1.940 178.514 176.600 -0.044 0.000 0.969 1315 E CA 0.773 57.196 56.400 0.038 0.000 0.815 1315 E CB -0.185 29.555 29.700 0.067 0.000 0.776 1315 E HN 0.089 nan 8.360 nan 0.000 0.457 1316 M N -0.296 119.264 119.600 -0.066 0.000 2.419 1316 M HA 0.089 4.569 4.480 0.000 0.000 0.264 1316 M C 0.646 176.825 176.300 -0.202 0.000 1.082 1316 M CA 0.671 55.909 55.300 -0.103 0.000 1.119 1316 M CB -0.349 32.208 32.600 -0.072 0.000 1.398 1316 M HN 0.174 nan 8.290 nan 0.000 0.453 1317 M N 1.719 121.156 119.600 -0.273 0.000 2.298 1317 M HA -0.175 4.305 4.480 0.000 0.000 0.196 1317 M C -0.181 175.846 176.300 -0.454 0.000 0.531 1317 M CA 0.679 55.536 55.300 -0.739 0.000 0.459 1317 M CB -2.276 29.632 32.600 -1.154 0.000 1.279 1317 M HN 0.429 nan 8.290 nan 0.000 0.915 1318 T N -2.774 111.734 114.554 -0.076 0.000 2.887 1318 T HA 0.931 5.281 4.350 0.000 0.000 0.292 1318 T C -0.566 174.245 174.700 0.185 0.000 1.087 1318 T CA -0.707 61.424 62.100 0.052 0.000 1.009 1318 T CB 2.860 71.702 68.868 -0.043 0.000 1.203 1318 T HN 0.537 nan 8.240 nan 0.000 0.518 1319 H N -1.077 118.017 119.070 0.040 0.000 2.990 1319 H HA 0.747 5.303 4.556 0.000 0.000 0.336 1319 H C -1.420 173.909 175.328 0.002 0.000 1.306 1319 H CA -0.717 55.348 56.048 0.027 0.000 1.118 1319 H CB 1.400 31.185 29.762 0.037 0.000 1.856 1319 H HN 1.036 nan 8.280 nan 0.000 0.538 1320 T N -0.983 113.545 114.554 -0.044 0.000 2.896 1320 T HA 0.620 4.970 4.350 0.000 0.000 0.297 1320 T C -0.522 174.220 174.700 0.070 0.000 1.108 1320 T CA -0.532 61.525 62.100 -0.073 0.000 1.004 1320 T CB 1.735 70.570 68.868 -0.055 0.000 1.159 1320 T HN 0.991 nan 8.240 nan 0.000 0.499 1321 S N 0.313 116.039 115.700 0.042 0.000 2.564 1321 S HA 0.904 5.374 4.470 0.000 0.000 0.274 1321 S C -0.941 173.648 174.600 -0.018 0.000 1.124 1321 S CA -0.838 57.373 58.200 0.019 0.000 0.869 1321 S CB 2.248 65.466 63.200 0.031 0.000 1.105 1321 S HN 1.351 nan 8.310 nan 0.000 0.472 1322 K N 0.327 120.686 120.400 -0.068 0.000 2.303 1322 K HA 0.478 4.798 4.320 0.000 0.000 0.258 1322 K C -1.754 174.745 176.600 -0.168 0.000 0.846 1322 K CA -0.977 55.291 56.287 -0.033 0.000 0.686 1322 K CB 0.233 32.761 32.500 0.047 0.000 1.425 1322 K HN 0.539 nan 8.250 nan 0.000 0.345 1323 Y N 0.610 120.919 120.300 0.015 0.000 2.549 1323 Y HA 0.431 4.981 4.550 0.000 0.000 0.339 1323 Y C 0.217 176.121 175.900 0.006 0.000 1.053 1323 Y CA -1.075 57.031 58.100 0.010 0.000 1.105 1323 Y CB 1.476 39.937 38.460 0.002 0.000 1.258 1323 Y HN 0.292 nan 8.280 nan 0.000 0.478 1324 L N 1.561 122.880 121.223 0.159 0.000 2.578 1324 L HA -0.169 4.171 4.340 0.000 0.000 0.279 1324 L C 0.551 177.477 176.870 0.092 0.000 1.227 1324 L CA 0.038 54.934 54.840 0.093 0.000 0.900 1324 L CB 0.295 42.391 42.059 0.061 0.000 1.144 1324 L HN 0.943 nan 8.230 nan 0.000 0.496 1325 c N 1.149 119.783 118.600 0.058 0.000 2.485 1325 c HA -0.057 4.513 4.570 0.000 0.000 0.278 1325 c C 1.813 175.911 174.090 0.013 0.000 1.356 1325 c CA -0.056 56.296 56.329 0.037 0.000 1.747 1325 c CB -0.339 42.188 42.510 0.028 0.000 2.001 1325 c HN 0.902 nan 8.230 nan 0.000 0.501 1326 S N 1.506 117.211 115.700 0.007 0.000 2.561 1326 S HA -0.065 4.405 4.470 0.000 0.000 0.294 1326 S C 1.455 176.044 174.600 -0.018 0.000 1.294 1326 S CA 0.137 58.331 58.200 -0.010 0.000 1.055 1326 S CB 0.389 63.578 63.200 -0.018 0.000 0.819 1326 S HN 0.703 nan 8.310 nan 0.000 0.503 1327 K N 2.861 123.246 120.400 -0.025 0.000 2.362 1327 K HA 0.015 4.335 4.320 0.000 0.000 0.200 1327 K C 0.174 176.753 176.600 -0.035 0.000 1.046 1327 K CA 0.598 56.866 56.287 -0.031 0.000 0.952 1327 K CB -0.281 32.201 32.500 -0.031 0.000 0.753 1327 K HN 0.398 nan 8.250 nan 0.000 0.466 1328 V N 3.796 123.688 119.914 -0.037 0.000 2.381 1328 V HA 0.086 4.206 4.120 0.000 0.000 0.257 1328 V C 0.292 176.359 176.094 -0.045 0.000 1.057 1328 V CA -0.120 62.154 62.300 -0.045 0.000 1.013 1328 V CB -0.047 31.744 31.823 -0.053 0.000 1.069 1328 V HN 0.220 nan 8.190 nan 0.000 0.484 1329 L N 5.234 126.430 121.223 -0.043 0.000 2.380 1329 L HA 0.309 4.649 4.340 0.000 0.000 0.273 1329 L C 1.284 178.123 176.870 -0.052 0.000 1.138 1329 L CA 0.124 54.941 54.840 -0.038 0.000 0.832 1329 L CB 1.153 43.191 42.059 -0.035 0.000 1.124 1329 L HN 0.779 nan 8.230 nan 0.000 0.454 1330 T N -3.768 110.757 114.554 -0.049 0.000 3.058 1330 T HA 0.124 4.474 4.350 0.000 0.000 0.278 1330 T C 0.266 174.935 174.700 -0.052 0.000 0.974 1330 T CA -0.516 61.536 62.100 -0.079 0.000 0.893 1330 T CB 0.206 69.002 68.868 -0.119 0.000 1.138 1330 T HN 0.399 nan 8.240 nan 0.000 0.529 1331 D N 1.789 122.180 120.400 -0.014 0.000 2.411 1331 D HA 0.418 5.058 4.640 0.000 0.000 0.251 1331 D C -0.539 175.771 176.300 0.017 0.000 1.201 1331 D CA 0.142 54.150 54.000 0.013 0.000 0.996 1331 D CB 1.717 42.539 40.800 0.037 0.000 1.101 1331 D HN 0.079 nan 8.370 nan 0.000 0.504 1332 T N 0.593 115.174 114.554 0.045 0.000 2.807 1332 T HA 0.461 4.811 4.350 0.000 0.000 0.279 1332 T C -0.896 173.840 174.700 0.059 0.000 0.993 1332 T CA -0.354 61.778 62.100 0.054 0.000 0.970 1332 T CB 0.891 69.811 68.868 0.086 0.000 0.950 1332 T HN 0.358 nan 8.240 nan 0.000 0.441 1333 S N 2.058 117.786 115.700 0.046 0.000 3.828 1333 S HA -0.089 4.381 4.470 0.000 0.000 0.722 1333 S C -0.089 174.524 174.600 0.023 0.000 0.508 1333 S CA -0.178 58.044 58.200 0.038 0.000 1.434 1333 S CB -0.512 62.716 63.200 0.046 0.000 0.825 1333 S HN 0.945 nan 8.310 nan 0.000 1.023 1334 R N 2.101 122.607 120.500 0.011 0.000 2.888 1334 R HA 0.875 5.215 4.340 0.000 0.000 0.266 1334 R C -3.123 173.172 176.300 -0.009 0.000 1.020 1334 R CA -2.179 53.919 56.100 -0.003 0.000 0.963 1334 R CB 1.413 31.707 30.300 -0.010 0.000 1.197 1334 R HN 0.231 nan 8.270 nan 0.000 0.481 1335 P HA 0.108 nan 4.420 nan 0.000 0.282 1335 P C -0.890 176.397 177.300 -0.022 0.000 1.287 1335 P CA -0.647 62.441 63.100 -0.020 0.000 0.792 1335 P CB 0.437 32.121 31.700 -0.027 0.000 1.163 1336 N N 0.646 119.333 118.700 -0.021 0.000 2.345 1336 N HA -0.010 4.730 4.740 0.000 0.000 0.243 1336 N C -0.080 175.413 175.510 -0.028 0.000 1.246 1336 N CA 0.581 53.617 53.050 -0.023 0.000 0.863 1336 N CB -0.397 38.078 38.487 -0.020 0.000 1.096 1336 N HN 0.343 nan 8.380 nan 0.000 0.446 1337 D N 2.177 122.559 120.400 -0.029 0.000 2.450 1337 D HA 0.088 4.728 4.640 0.000 0.000 0.247 1337 D C -1.456 174.825 176.300 -0.032 0.000 1.162 1337 D CA -0.387 53.593 54.000 -0.033 0.000 0.879 1337 D CB 0.302 41.081 40.800 -0.034 0.000 1.163 1337 D HN 0.357 nan 8.370 nan 0.000 0.472 1338 P HA 0.115 nan 4.420 nan 0.000 0.289 1338 P C 0.559 177.840 177.300 -0.031 0.000 1.299 1338 P CA -0.406 62.673 63.100 -0.034 0.000 0.766 1338 P CB 0.764 32.440 31.700 -0.041 0.000 1.226 1339 T N -1.127 113.410 114.554 -0.029 0.000 2.821 1339 T HA -0.017 4.333 4.350 0.000 0.000 0.267 1339 T C 0.691 175.375 174.700 -0.027 0.000 1.046 1339 T CA 1.228 63.312 62.100 -0.026 0.000 1.139 1339 T CB -0.470 68.383 68.868 -0.024 0.000 0.871 1339 T HN 0.489 nan 8.240 nan 0.000 0.454 1340 N N -0.045 118.636 118.700 -0.030 0.000 2.249 1340 N HA 0.513 5.253 4.740 0.000 0.000 0.296 1340 N C -0.107 175.381 175.510 -0.036 0.000 1.051 1340 N CA -0.770 52.262 53.050 -0.030 0.000 0.815 1340 N CB 2.207 40.677 38.487 -0.029 0.000 1.487 1340 N HN 0.203 nan 8.380 nan 0.000 0.475 1341 G N 0.257 109.038 108.800 -0.032 0.000 2.508 1341 G HA2 0.220 4.180 3.960 0.000 0.000 0.278 1341 G HA3 0.220 4.180 3.960 0.000 0.000 0.278 1341 G C -0.675 174.199 174.900 -0.042 0.000 1.389 1341 G CA -0.251 44.826 45.100 -0.038 0.000 1.050 1341 G HN 0.650 nan 8.290 nan 0.000 0.522 1342 N N -2.226 116.445 118.700 -0.049 0.000 2.500 1342 N HA 0.200 4.940 4.740 0.000 0.000 0.291 1342 N C 0.613 176.117 175.510 -0.010 0.000 1.092 1342 N CA -0.816 52.203 53.050 -0.052 0.000 0.890 1342 N CB 1.235 39.656 38.487 -0.110 0.000 1.466 1342 N HN 0.298 nan 8.380 nan 0.000 0.507 1343 c N 1.262 119.877 118.600 0.025 0.000 2.422 1343 c HA -0.009 4.561 4.570 0.000 0.000 0.279 1343 c C 1.019 175.191 174.090 0.136 0.000 1.305 1343 c CA 0.561 56.936 56.329 0.076 0.000 1.757 1343 c CB -0.536 42.004 42.510 0.051 0.000 1.962 1343 c HN 0.738 nan 8.230 nan 0.000 0.499 1344 D N -0.527 119.928 120.400 0.092 0.000 2.513 1344 D HA 0.395 5.035 4.640 0.000 0.000 0.222 1344 D C 0.153 176.523 176.300 0.118 0.000 1.210 1344 D CA 0.429 54.513 54.000 0.139 0.000 0.825 1344 D CB 0.739 41.583 40.800 0.074 0.000 1.037 1344 D HN 0.464 nan 8.370 nan 0.000 0.506 1345 A N 1.603 124.382 122.820 -0.068 0.000 2.604 1345 A HA 0.569 4.889 4.320 0.000 0.000 0.295 1345 A C -2.890 174.248 177.584 -0.744 0.000 1.067 1345 A CA -1.185 50.688 52.037 -0.273 0.000 0.683 1345 A CB 1.906 20.814 19.000 -0.153 0.000 1.281 1345 A HN -0.251 nan 8.150 nan 0.000 0.407 1346 P HA 0.302 nan 4.420 nan 0.000 0.276 1346 P C -0.652 176.387 177.300 -0.435 0.000 1.230 1346 P CA 0.077 62.671 63.100 -0.844 0.000 0.776 1346 P CB 0.543 31.930 31.700 -0.521 0.000 0.888 1347 I N 3.586 123.954 120.570 -0.335 0.000 2.301 1347 I HA 0.145 4.315 4.170 0.000 0.000 0.292 1347 I C 1.429 177.454 176.117 -0.154 0.000 1.046 1347 I CA 0.066 61.249 61.300 -0.195 0.000 1.282 1347 I CB 0.505 38.422 38.000 -0.138 0.000 1.409 1347 I HN 0.388 nan 8.210 nan 0.000 0.484 1348 T N 2.414 116.884 114.554 -0.140 0.000 2.884 1348 T HA 0.886 5.236 4.350 0.000 0.000 0.277 1348 T C 0.332 174.985 174.700 -0.078 0.000 0.976 1348 T CA -0.192 61.838 62.100 -0.116 0.000 0.956 1348 T CB 2.141 70.927 68.868 -0.136 0.000 1.113 1348 T HN 1.035 nan 8.240 nan 0.000 0.554 1349 G N -1.659 107.104 108.800 -0.061 0.000 2.462 1349 G HA2 0.513 4.473 3.960 0.000 0.000 0.685 1349 G HA3 0.513 4.473 3.960 0.000 0.000 0.685 1349 G C -0.015 174.870 174.900 -0.024 0.000 1.295 1349 G CA -0.125 44.951 45.100 -0.040 0.000 0.941 1349 G HN 2.652 nan 8.290 nan 0.000 0.554 1350 G N -1.883 106.909 108.800 -0.014 0.000 2.587 1350 G HA2 0.548 4.508 3.960 0.000 0.000 0.686 1350 G HA3 0.548 4.508 3.960 0.000 0.000 0.686 1350 G C -0.279 174.625 174.900 0.006 0.000 1.236 1350 G CA 0.970 46.068 45.100 -0.003 0.000 0.820 1350 G HN 2.507 nan 8.290 nan 0.000 0.645 1351 S N 0.450 116.158 115.700 0.014 0.000 2.537 1351 S HA 0.832 5.302 4.470 0.000 0.000 0.271 1351 S C -2.367 172.250 174.600 0.028 0.000 1.148 1351 S CA -0.124 58.087 58.200 0.018 0.000 0.868 1351 S CB 2.474 65.681 63.200 0.013 0.000 1.115 1351 S HN 0.761 nan 8.310 nan 0.000 0.461 1352 P HA 0.375 nan 4.420 nan 0.000 0.274 1352 P C -0.871 176.449 177.300 0.032 0.000 1.352 1352 P CA -0.006 63.110 63.100 0.027 0.000 0.947 1352 P CB 0.147 31.862 31.700 0.025 0.000 1.437 1353 D N 1.329 121.754 120.400 0.042 0.000 2.248 1353 D HA 0.209 4.850 4.640 0.000 0.000 0.246 1353 D C -1.632 174.701 176.300 0.054 0.000 1.027 1353 D CA -1.690 52.340 54.000 0.050 0.000 0.853 1353 D CB 2.242 43.079 40.800 0.062 0.000 1.243 1353 D HN 0.007 nan 8.370 nan 0.000 0.462 1354 P HA 0.074 nan 4.420 nan 0.000 0.237 1354 P C 0.289 177.635 177.300 0.077 0.000 1.178 1354 P CA 0.365 63.503 63.100 0.063 0.000 0.766 1354 P CB 0.806 32.545 31.700 0.065 0.000 0.876 1355 G N -1.717 107.135 108.800 0.087 0.000 2.340 1355 G HA2 0.389 4.349 3.960 0.000 0.000 0.298 1355 G HA3 0.389 4.349 3.960 0.000 0.000 0.298 1355 G C -2.421 172.544 174.900 0.108 0.000 1.498 1355 G CA -0.319 44.836 45.100 0.092 0.000 0.847 1355 G HN 0.040 nan 8.290 nan 0.000 0.594 1356 V N 0.119 120.080 119.914 0.079 0.000 3.120 1356 V HA 0.765 4.885 4.120 0.000 0.000 0.303 1356 V C -0.276 175.754 176.094 -0.107 0.000 1.238 1356 V CA -1.014 61.329 62.300 0.072 0.000 1.008 1356 V CB 2.016 33.947 31.823 0.180 0.000 1.064 1356 V HN 1.073 nan 8.190 nan 0.000 0.434 1357 K N 2.810 122.917 120.400 -0.489 0.000 2.326 1357 K HA 0.639 4.959 4.320 0.000 0.000 0.275 1357 K C -0.025 176.494 176.600 -0.134 0.000 1.018 1357 K CA 0.751 56.758 56.287 -0.467 0.000 0.962 1357 K CB 0.957 32.896 32.500 -0.935 0.000 0.953 1357 K HN 1.051 nan 8.250 nan 0.000 0.475 1358 G N 2.158 110.945 108.800 -0.021 0.000 2.749 1358 G HA2 0.653 4.613 3.960 0.000 0.000 0.300 1358 G HA3 0.653 4.613 3.960 0.000 0.000 0.300 1358 G C -1.639 173.352 174.900 0.150 0.000 1.352 1358 G CA -0.813 44.349 45.100 0.104 0.000 0.789 1358 G HN 0.659 nan 8.290 nan 0.000 0.509 1359 F N -2.337 117.575 119.950 -0.063 0.000 2.779 1359 F HA 0.935 5.462 4.527 0.000 0.000 0.316 1359 F C -0.598 175.124 175.800 -0.131 0.000 1.164 1359 F CA -1.118 56.809 58.000 -0.121 0.000 0.924 1359 F CB 1.357 40.250 39.000 -0.179 0.000 1.348 1359 F HN 1.419 nan 8.300 nan 0.000 0.467 1360 A N 0.646 123.295 122.820 -0.284 0.000 2.608 1360 A HA 0.738 5.058 4.320 0.000 0.000 0.292 1360 A C -2.480 174.967 177.584 -0.229 0.000 1.066 1360 A CA -0.667 51.184 52.037 -0.309 0.000 0.676 1360 A CB 0.922 19.831 19.000 -0.152 0.000 1.277 1360 A HN 0.723 nan 8.150 nan 0.000 0.413 1361 F N 0.719 120.760 119.950 0.152 0.000 2.426 1361 F HA 0.622 5.149 4.527 0.000 0.000 0.348 1361 F C -0.119 175.799 175.800 0.196 0.000 1.124 1361 F CA -0.369 57.679 58.000 0.079 0.000 1.008 1361 F CB 1.813 40.846 39.000 0.055 0.000 1.139 1361 F HN 0.356 nan 8.300 nan 0.000 0.452 1362 L N 3.757 125.232 121.223 0.420 0.000 2.316 1362 L HA 0.458 4.798 4.340 0.000 0.000 0.280 1362 L C -0.903 176.150 176.870 0.305 0.000 1.006 1362 L CA -0.345 54.679 54.840 0.307 0.000 0.836 1362 L CB 1.475 43.678 42.059 0.241 0.000 1.221 1362 L HN 0.490 nan 8.230 nan 0.000 0.418 1363 D N 2.668 123.203 120.400 0.226 0.000 3.118 1363 D HA 0.369 5.009 4.640 0.000 0.000 0.286 1363 D C 0.725 177.096 176.300 0.119 0.000 1.255 1363 D CA 0.662 54.774 54.000 0.187 0.000 0.748 1363 D CB 0.667 41.595 40.800 0.212 0.000 1.332 1363 D HN 0.666 nan 8.370 nan 0.000 0.575 1364 G N 1.663 110.518 108.800 0.092 0.000 2.660 1364 G HA2 -0.415 3.545 3.960 0.000 0.000 0.321 1364 G HA3 -0.415 3.545 3.960 0.000 0.000 0.321 1364 G C 1.117 176.037 174.900 0.035 0.000 1.246 1364 G CA 0.607 45.739 45.100 0.055 0.000 1.000 1364 G HN 0.393 nan 8.290 nan 0.000 0.550 1365 E N 0.878 121.090 120.200 0.020 0.000 2.110 1365 E HA -0.111 4.239 4.350 0.000 0.000 0.193 1365 E C 1.785 178.377 176.600 -0.013 0.000 0.988 1365 E CA 1.152 57.547 56.400 -0.007 0.000 0.804 1365 E CB -0.323 29.374 29.700 -0.005 0.000 0.745 1365 E HN 0.427 nan 8.360 nan 0.000 0.458 1366 N N 1.285 120.009 118.700 0.039 0.000 3.243 1366 N HA -0.014 4.727 4.740 0.000 0.000 0.310 1366 N C -1.419 174.185 175.510 0.157 0.000 1.313 1366 N CA 0.045 53.149 53.050 0.091 0.000 1.204 1366 N CB 0.015 38.570 38.487 0.113 0.000 1.483 1366 N HN -0.198 nan 8.380 nan 0.000 0.553 1367 S N 0.626 116.356 115.700 0.051 0.000 2.473 1367 S HA 0.501 4.972 4.470 0.000 0.000 0.307 1367 S C -1.160 173.462 174.600 0.035 0.000 1.094 1367 S CA -0.585 57.690 58.200 0.125 0.000 1.070 1367 S CB 0.869 64.112 63.200 0.071 0.000 1.019 1367 S HN 0.345 nan 8.310 nan 0.000 0.480 1368 W N 2.622 124.041 121.300 0.199 0.000 2.785 1368 W HA 0.637 5.298 4.660 0.000 0.000 0.333 1368 W C -1.141 175.395 176.519 0.028 0.000 1.062 1368 W CA -0.635 56.825 57.345 0.191 0.000 1.233 1368 W CB 1.094 30.826 29.460 0.453 0.000 1.413 1368 W HN 0.329 nan 8.180 nan 0.000 0.489 1369 L N 3.286 124.590 121.223 0.136 0.000 2.341 1369 L HA 0.810 5.150 4.340 0.000 0.000 0.278 1369 L C 0.562 177.285 176.870 -0.245 0.000 1.005 1369 L CA -0.989 53.773 54.840 -0.130 0.000 0.818 1369 L CB 1.354 43.344 42.059 -0.115 0.000 1.259 1369 L HN 0.565 nan 8.230 nan 0.000 0.418 1370 G N 2.463 110.910 108.800 -0.588 0.000 2.389 1370 G HA2 0.801 4.761 3.960 0.000 0.000 0.317 1370 G HA3 0.801 4.761 3.960 0.000 0.000 0.317 1370 G C -0.777 173.825 174.900 -0.498 0.000 1.137 1370 G CA -0.469 44.320 45.100 -0.518 0.000 0.870 1370 G HN 0.799 nan 8.290 nan 0.000 0.496 1371 R N -0.773 119.241 120.500 -0.809 0.000 2.712 1371 R HA 0.568 4.908 4.340 0.000 0.000 0.272 1371 R C -0.358 175.402 176.300 -0.900 0.000 1.032 1371 R CA -0.815 54.893 56.100 -0.653 0.000 0.874 1371 R CB 0.356 30.467 30.300 -0.315 0.000 1.256 1371 R HN 0.648 nan 8.270 nan 0.000 0.468 1372 T N -0.587 113.723 114.554 -0.407 0.000 2.932 1372 T HA 0.187 4.537 4.350 0.000 0.000 0.312 1372 T C 1.522 176.128 174.700 -0.156 0.000 1.071 1372 T CA -0.488 61.504 62.100 -0.179 0.000 1.128 1372 T CB 0.381 69.277 68.868 0.047 0.000 0.984 1372 T HN 0.554 nan 8.240 nan 0.000 0.549 1373 I N 1.324 121.843 120.570 -0.084 0.000 2.202 1373 I HA -0.073 4.097 4.170 0.000 0.000 0.242 1373 I C 2.043 178.142 176.117 -0.031 0.000 1.091 1373 I CA 0.795 62.062 61.300 -0.056 0.000 1.368 1373 I CB -0.466 37.521 38.000 -0.022 0.000 1.058 1373 I HN 0.719 nan 8.210 nan 0.000 0.410 1374 S N 1.603 117.300 115.700 -0.004 0.000 2.562 1374 S HA -0.003 4.467 4.470 0.000 0.000 0.281 1374 S C 1.231 175.839 174.600 0.014 0.000 1.333 1374 S CA -0.477 57.730 58.200 0.012 0.000 1.052 1374 S CB 0.610 63.836 63.200 0.043 0.000 0.884 1374 S HN 0.370 nan 8.310 nan 0.000 0.506 1375 K N 2.712 123.118 120.400 0.010 0.000 2.400 1375 K HA 0.078 4.398 4.320 0.000 0.000 0.194 1375 K C -0.011 176.605 176.600 0.027 0.000 1.033 1375 K CA 0.469 56.761 56.287 0.008 0.000 1.021 1375 K CB 0.075 32.573 32.500 -0.003 0.000 0.808 1375 K HN 0.465 nan 8.250 nan 0.000 0.505 1376 D N 1.466 121.891 120.400 0.042 0.000 2.369 1376 D HA -0.034 4.606 4.640 0.000 0.000 0.231 1376 D C 0.935 177.286 176.300 0.085 0.000 0.967 1376 D CA 0.880 54.913 54.000 0.056 0.000 0.905 1376 D CB 0.339 41.171 40.800 0.054 0.000 1.044 1376 D HN 0.318 nan 8.370 nan 0.000 0.487 1377 S N -0.641 115.129 115.700 0.117 0.000 2.677 1377 S HA 0.531 5.001 4.470 0.000 0.000 0.304 1377 S C -0.128 174.601 174.600 0.215 0.000 1.108 1377 S CA -0.929 57.377 58.200 0.176 0.000 0.944 1377 S CB 2.083 65.434 63.200 0.252 0.000 1.127 1377 S HN -0.123 nan 8.310 nan 0.000 0.511 1378 R N 1.769 122.431 120.500 0.269 0.000 4.164 1378 R HA 0.310 4.650 4.340 0.000 0.000 0.195 1378 R C -0.047 176.502 176.300 0.414 0.000 1.712 1378 R CA -0.072 56.208 56.100 0.300 0.000 1.457 1378 R CB -0.271 30.195 30.300 0.277 0.000 1.387 1378 R HN 0.701 nan 8.270 nan 0.000 0.785 1379 S N -0.248 115.630 115.700 0.296 0.000 2.548 1379 S HA 0.781 5.251 4.470 0.000 0.000 0.286 1379 S C 0.198 174.860 174.600 0.104 0.000 1.098 1379 S CA -0.141 58.168 58.200 0.183 0.000 0.930 1379 S CB 2.130 65.294 63.200 -0.060 0.000 1.070 1379 S HN 0.641 nan 8.310 nan 0.000 0.480 1380 G N 0.986 109.839 108.800 0.089 0.000 2.846 1380 G HA2 0.034 3.995 3.960 0.000 0.000 0.660 1380 G HA3 0.034 3.995 3.960 0.000 0.000 0.660 1380 G C -1.213 173.821 174.900 0.223 0.000 1.464 1380 G CA -0.124 45.042 45.100 0.110 0.000 0.891 1380 G HN 1.725 nan 8.290 nan 0.000 0.552 1381 Y N 0.498 120.864 120.300 0.110 0.000 2.436 1381 Y HA 0.529 5.080 4.550 0.000 0.000 0.327 1381 Y C -0.372 175.594 175.900 0.110 0.000 1.138 1381 Y CA -0.186 57.985 58.100 0.119 0.000 1.042 1381 Y CB 1.536 40.103 38.460 0.178 0.000 1.302 1381 Y HN 1.025 nan 8.280 nan 0.000 0.439 1382 E N 5.394 125.464 120.200 -0.216 0.000 2.317 1382 E HA 0.592 4.942 4.350 0.000 0.000 0.270 1382 E C -1.582 174.984 176.600 -0.057 0.000 0.885 1382 E CA -1.257 55.136 56.400 -0.012 0.000 0.760 1382 E CB 2.409 32.091 29.700 -0.030 0.000 1.227 1382 E HN 0.361 nan 8.360 nan 0.000 0.434 1383 M N 2.812 122.474 119.600 0.104 0.000 2.336 1383 M HA 0.451 4.931 4.480 0.000 0.000 0.342 1383 M C -0.910 175.628 176.300 0.397 0.000 1.128 1383 M CA -0.720 54.666 55.300 0.145 0.000 1.016 1383 M CB 0.963 33.544 32.600 -0.032 0.000 1.665 1383 M HN 0.614 nan 8.290 nan 0.000 0.445 1384 L N 2.481 123.909 121.223 0.342 0.000 2.381 1384 L HA 0.503 4.843 4.340 0.000 0.000 0.274 1384 L C -0.036 176.764 176.870 -0.116 0.000 0.988 1384 L CA -0.709 54.209 54.840 0.131 0.000 0.824 1384 L CB 2.238 44.296 42.059 -0.002 0.000 1.263 1384 L HN 0.628 nan 8.230 nan 0.000 0.410 1385 K N 2.961 122.940 120.400 -0.702 0.000 2.284 1385 K HA 0.447 4.768 4.320 0.000 0.000 0.287 1385 K C -1.125 175.160 176.600 -0.524 0.000 1.081 1385 K CA -0.331 55.239 56.287 -1.195 0.000 0.910 1385 K CB 0.836 32.410 32.500 -1.544 0.000 1.088 1385 K HN 0.392 nan 8.250 nan 0.000 0.478 1386 V N 7.689 127.394 119.914 -0.349 0.000 2.289 1386 V HA 0.234 4.354 4.120 0.000 0.000 0.272 1386 V C -2.316 173.694 176.094 -0.141 0.000 1.026 1386 V CA -2.151 60.037 62.300 -0.187 0.000 0.807 1386 V CB 0.995 32.749 31.823 -0.114 0.000 1.044 1386 V HN 0.796 nan 8.190 nan 0.000 0.443 1387 P HA 0.099 nan 4.420 nan 0.000 0.261 1387 P C 0.487 177.760 177.300 -0.044 0.000 1.183 1387 P CA 0.602 63.651 63.100 -0.085 0.000 0.761 1387 P CB 0.150 31.803 31.700 -0.078 0.000 0.785 1388 N N 1.384 120.074 118.700 -0.016 0.000 2.776 1388 N HA -0.232 4.508 4.740 0.000 0.000 0.250 1388 N C 0.960 176.472 175.510 0.003 0.000 1.112 1388 N CA 1.028 54.079 53.050 0.002 0.000 0.733 1388 N CB -1.561 36.924 38.487 -0.003 0.000 1.097 1388 N HN 0.512 nan 8.380 nan 0.000 0.558 1389 A N 0.484 123.304 122.820 0.000 0.000 2.032 1389 A HA -0.202 4.118 4.320 0.000 0.000 0.221 1389 A C 2.035 179.632 177.584 0.022 0.000 1.165 1389 A CA 1.970 54.009 52.037 0.003 0.000 0.645 1389 A CB -0.261 18.738 19.000 -0.002 0.000 0.807 1389 A HN 0.550 nan 8.150 nan 0.000 0.453 1390 E N -0.881 119.341 120.200 0.037 0.000 2.371 1390 E HA -0.088 4.262 4.350 0.000 0.000 0.194 1390 E C 1.522 178.145 176.600 0.038 0.000 1.012 1390 E CA 1.365 57.793 56.400 0.046 0.000 0.860 1390 E CB 0.119 29.857 29.700 0.064 0.000 0.811 1390 E HN 0.757 nan 8.360 nan 0.000 0.502 1391 T N -3.096 111.475 114.554 0.028 0.000 2.969 1391 T HA 0.080 4.430 4.350 0.000 0.000 0.258 1391 T C 0.116 174.824 174.700 0.014 0.000 0.962 1391 T CA -0.447 61.667 62.100 0.023 0.000 0.903 1391 T CB 0.430 69.311 68.868 0.021 0.000 1.177 1391 T HN -0.121 nan 8.240 nan 0.000 0.511 1392 D N 1.880 122.285 120.400 0.008 0.000 2.440 1392 D HA 0.315 4.955 4.640 0.000 0.000 0.239 1392 D C 1.369 177.667 176.300 -0.004 0.000 1.084 1392 D CA -1.073 52.927 54.000 0.000 0.000 0.843 1392 D CB 1.139 41.935 40.800 -0.006 0.000 1.097 1392 D HN 0.419 nan 8.370 nan 0.000 0.531 1393 I N 0.502 121.069 120.570 -0.005 0.000 2.916 1393 I HA -0.115 4.056 4.170 0.000 0.000 0.267 1393 I C 0.797 176.905 176.117 -0.017 0.000 1.263 1393 I CA 0.888 62.182 61.300 -0.010 0.000 1.471 1393 I CB 0.003 37.996 38.000 -0.012 0.000 1.089 1393 I HN 0.266 nan 8.210 nan 0.000 0.468 1394 Q N 1.747 121.537 119.800 -0.017 0.000 2.282 1394 Q HA 0.169 4.509 4.340 0.000 0.000 0.206 1394 Q C 0.544 176.529 176.000 -0.024 0.000 0.878 1394 Q CA 0.003 55.794 55.803 -0.020 0.000 0.944 1394 Q CB 0.499 29.226 28.738 -0.018 0.000 1.100 1394 Q HN 0.662 nan 8.270 nan 0.000 0.509 1395 S N 0.068 115.754 115.700 -0.024 0.000 2.537 1395 S HA 0.428 4.898 4.470 0.000 0.000 0.286 1395 S C 0.377 174.953 174.600 -0.040 0.000 1.299 1395 S CA -0.207 57.974 58.200 -0.032 0.000 1.067 1395 S CB 1.311 64.492 63.200 -0.032 0.000 0.864 1395 S HN 0.258 nan 8.310 nan 0.000 0.494 1396 G N 1.755 110.527 108.800 -0.047 0.000 2.788 1396 G HA2 0.715 4.675 3.960 0.000 0.000 0.293 1396 G HA3 0.715 4.675 3.960 0.000 0.000 0.293 1396 G C -3.348 171.509 174.900 -0.072 0.000 1.305 1396 G CA -2.123 42.946 45.100 -0.052 0.000 1.005 1396 G HN 0.563 nan 8.290 nan 0.000 0.496 1397 P HA 0.287 nan 4.420 nan 0.000 0.279 1397 P C 0.649 177.895 177.300 -0.089 0.000 1.239 1397 P CA -0.342 62.699 63.100 -0.097 0.000 0.789 1397 P CB 1.083 32.741 31.700 -0.070 0.000 0.933 1398 I N -0.463 120.032 120.570 -0.125 0.000 4.181 1398 I HA 0.304 4.474 4.170 0.000 0.000 0.331 1398 I C 0.031 176.102 176.117 -0.077 0.000 1.312 1398 I CA -0.063 61.182 61.300 -0.092 0.000 1.146 1398 I CB 0.385 38.325 38.000 -0.100 0.000 1.074 1398 I HN 0.253 nan 8.210 nan 0.000 0.402 1399 S N 1.533 117.168 115.700 -0.108 0.000 2.565 1399 S HA 0.570 5.040 4.470 0.000 0.000 0.269 1399 S C -1.349 173.279 174.600 0.046 0.000 1.153 1399 S CA -0.788 57.404 58.200 -0.013 0.000 0.835 1399 S CB 1.945 65.164 63.200 0.032 0.000 1.122 1399 S HN 0.503 nan 8.310 nan 0.000 0.462 1400 N N 0.592 119.399 118.700 0.178 0.000 2.396 1400 N HA 0.378 5.118 4.740 0.000 0.000 0.275 1400 N C -1.797 173.917 175.510 0.341 0.000 1.218 1400 N CA -0.546 52.663 53.050 0.265 0.000 0.812 1400 N CB 2.146 40.722 38.487 0.149 0.000 1.592 1400 N HN 0.851 nan 8.380 nan 0.000 0.480 1401 Q N 1.461 121.498 119.800 0.397 0.000 2.310 1401 Q HA 0.373 4.713 4.340 0.000 0.000 0.270 1401 Q C -1.420 174.753 176.000 0.288 0.000 1.025 1401 Q CA -0.761 55.256 55.803 0.357 0.000 0.772 1401 Q CB 1.924 30.937 28.738 0.459 0.000 1.253 1401 Q HN 0.501 nan 8.270 nan 0.000 0.450 1402 V N 6.336 126.399 119.914 0.248 0.000 2.470 1402 V HA 0.016 4.136 4.120 0.000 0.000 0.276 1402 V C 0.960 177.237 176.094 0.304 0.000 1.040 1402 V CA 0.153 62.590 62.300 0.229 0.000 1.008 1402 V CB 0.636 32.563 31.823 0.173 0.000 0.990 1402 V HN 0.841 nan 8.190 nan 0.000 0.477 1403 I N 5.081 125.866 120.570 0.359 0.000 2.927 1403 I HA 0.148 4.318 4.170 0.000 0.000 0.268 1403 I C 0.576 176.931 176.117 0.397 0.000 1.153 1403 I CA 1.209 62.779 61.300 0.451 0.000 1.459 1403 I CB 0.181 38.495 38.000 0.524 0.000 1.149 1403 I HN 0.329 nan 8.210 nan 0.000 0.443 1404 V N 3.595 123.714 119.914 0.342 0.000 2.577 1404 V HA 0.248 4.368 4.120 0.000 0.000 0.303 1404 V C -0.053 176.152 176.094 0.186 0.000 1.042 1404 V CA -1.129 61.336 62.300 0.274 0.000 0.872 1404 V CB 1.809 33.810 31.823 0.297 0.000 0.998 1404 V HN 0.416 nan 8.190 nan 0.000 0.423 1405 N N 2.957 121.730 118.700 0.121 0.000 2.415 1405 N HA 0.022 4.762 4.740 0.000 0.000 0.248 1405 N C 0.573 176.067 175.510 -0.026 0.000 1.271 1405 N CA -0.328 52.744 53.050 0.036 0.000 0.913 1405 N CB 0.955 39.435 38.487 -0.011 0.000 1.129 1405 N HN 0.771 nan 8.380 nan 0.000 0.444 1406 N N -0.114 118.559 118.700 -0.045 0.000 2.609 1406 N HA -0.123 4.617 4.740 0.000 0.000 0.190 1406 N C 0.245 175.640 175.510 -0.191 0.000 1.157 1406 N CA 0.234 53.230 53.050 -0.090 0.000 0.918 1406 N CB 0.164 38.613 38.487 -0.062 0.000 0.978 1406 N HN 0.545 nan 8.380 nan 0.000 0.448 1407 Q N -0.203 119.470 119.800 -0.212 0.000 2.360 1407 Q HA 0.191 4.532 4.340 0.000 0.000 0.202 1407 Q C -0.834 174.913 176.000 -0.423 0.000 0.915 1407 Q CA 0.289 55.916 55.803 -0.295 0.000 0.943 1407 Q CB 0.613 29.210 28.738 -0.234 0.000 1.064 1407 Q HN 0.270 nan 8.270 nan 0.000 0.511 1408 N N -1.096 117.374 118.700 -0.383 0.000 2.265 1408 N HA 0.406 5.146 4.740 0.000 0.000 0.300 1408 N C -1.489 173.822 175.510 -0.332 0.000 1.148 1408 N CA -0.723 52.100 53.050 -0.378 0.000 0.772 1408 N CB 1.011 39.414 38.487 -0.139 0.000 1.434 1408 N HN 0.065 nan 8.380 nan 0.000 0.481 1409 W N 1.046 122.391 121.300 0.075 0.000 2.190 1409 W HA 0.280 4.940 4.660 0.000 0.000 0.330 1409 W C 1.039 177.643 176.519 0.142 0.000 1.299 1409 W CA -0.333 57.069 57.345 0.095 0.000 1.215 1409 W CB 0.540 30.044 29.460 0.073 0.000 1.147 1409 W HN 0.551 nan 8.180 nan 0.000 0.563 1410 S N 1.792 117.748 115.700 0.426 0.000 4.225 1410 S HA 0.970 5.440 4.470 0.000 0.000 0.215 1410 S C 0.351 175.152 174.600 0.335 0.000 1.051 1410 S CA -0.080 58.335 58.200 0.358 0.000 1.729 1410 S CB 1.039 64.483 63.200 0.407 0.000 0.892 1410 S HN 0.970 nan 8.310 nan 0.000 0.720 1411 G N -0.662 108.344 108.800 0.344 0.000 2.441 1411 G HA2 0.295 4.256 3.960 0.000 0.000 0.222 1411 G HA3 0.295 4.256 3.960 0.000 0.000 0.222 1411 G C -1.712 173.452 174.900 0.440 0.000 1.254 1411 G CA -0.799 44.495 45.100 0.323 0.000 0.959 1411 G HN 0.520 nan 8.290 nan 0.000 0.474 1412 Y N 1.537 121.965 120.300 0.214 0.000 2.550 1412 Y HA 0.494 5.044 4.550 0.000 0.000 0.343 1412 Y C 1.300 177.286 175.900 0.144 0.000 1.245 1412 Y CA -0.277 57.952 58.100 0.215 0.000 1.462 1412 Y CB 0.938 39.554 38.460 0.261 0.000 1.340 1412 Y HN 0.811 nan 8.280 nan 0.000 0.604 1413 S N 0.109 115.906 115.700 0.163 0.000 2.546 1413 S HA 0.943 5.413 4.470 0.000 0.000 0.274 1413 S C -0.427 173.989 174.600 -0.307 0.000 1.121 1413 S CA -0.424 57.646 58.200 -0.215 0.000 0.887 1413 S CB 2.235 65.441 63.200 0.009 0.000 1.094 1413 S HN 1.004 nan 8.310 nan 0.000 0.474 1414 G N -0.131 108.064 108.800 -1.008 0.000 2.660 1414 G HA2 0.762 4.722 3.960 0.000 0.000 0.290 1414 G HA3 0.762 4.722 3.960 0.000 0.000 0.290 1414 G C -1.167 173.451 174.900 -0.470 0.000 1.432 1414 G CA -0.402 44.432 45.100 -0.444 0.000 0.807 1414 G HN 1.185 nan 8.290 nan 0.000 0.485 1415 A N -0.444 122.307 122.820 -0.115 0.000 2.303 1415 A HA 0.951 5.271 4.320 0.000 0.000 0.317 1415 A C -0.676 177.137 177.584 0.383 0.000 1.149 1415 A CA -0.469 51.568 52.037 -0.000 0.000 0.822 1415 A CB 0.463 19.423 19.000 -0.067 0.000 1.131 1415 A HN 1.898 nan 8.150 nan 0.000 0.493 1416 F N -0.579 119.492 119.950 0.201 0.000 2.668 1416 F HA 0.830 5.357 4.527 0.000 0.000 0.309 1416 F C -1.417 174.437 175.800 0.089 0.000 1.117 1416 F CA -1.367 56.741 58.000 0.180 0.000 0.951 1416 F CB 1.042 40.136 39.000 0.157 0.000 1.323 1416 F HN 0.418 nan 8.300 nan 0.000 0.451 1417 I N 1.420 121.934 120.570 -0.092 0.000 2.686 1417 I HA 0.251 4.421 4.170 0.000 0.000 0.295 1417 I C -1.307 174.569 176.117 -0.403 0.000 1.114 1417 I CA -0.780 60.196 61.300 -0.540 0.000 1.038 1417 I CB 2.121 39.498 38.000 -1.038 0.000 1.238 1417 I HN 0.672 nan 8.210 nan 0.000 0.420 1418 D N 4.463 124.731 120.400 -0.220 0.000 2.517 1418 D HA 0.099 4.739 4.640 0.000 0.000 0.220 1418 D C 0.631 176.877 176.300 -0.090 0.000 1.158 1418 D CA 0.021 54.053 54.000 0.052 0.000 0.992 1418 D CB 0.112 40.990 40.800 0.129 0.000 1.058 1418 D HN 0.292 nan 8.370 nan 0.000 0.516 1419 Y N 0.800 120.983 120.300 -0.195 0.000 2.556 1419 Y HA -0.111 4.440 4.550 0.000 0.000 0.290 1419 Y C 1.427 177.008 175.900 -0.532 0.000 1.149 1419 Y CA 0.657 58.347 58.100 -0.684 0.000 1.329 1419 Y CB -0.072 37.606 38.460 -1.303 0.000 0.975 1419 Y HN 0.552 nan 8.280 nan 0.000 0.561 1420 W N -0.209 121.201 121.300 0.184 0.000 3.239 1420 W HA 0.531 5.191 4.660 0.000 0.000 0.368 1420 W C 0.746 177.337 176.519 0.120 0.000 1.154 1420 W CA -0.372 57.064 57.345 0.152 0.000 1.860 1420 W CB -0.433 29.084 29.460 0.095 0.000 1.094 1420 W HN -0.133 nan 8.180 nan 0.000 0.643 1421 A N 1.289 124.256 122.820 0.245 0.000 2.466 1421 A HA -0.065 4.255 4.320 0.000 0.000 0.238 1421 A C 0.578 178.249 177.584 0.145 0.000 1.074 1421 A CA 0.109 52.247 52.037 0.169 0.000 0.774 1421 A CB -0.039 19.030 19.000 0.115 0.000 1.015 1421 A HN 0.369 nan 8.150 nan 0.000 0.498 1422 N N 0.981 119.744 118.700 0.106 0.000 3.245 1422 N HA 0.167 4.907 4.740 0.000 0.000 0.296 1422 N C -0.500 175.042 175.510 0.054 0.000 1.254 1422 N CA 0.044 53.142 53.050 0.080 0.000 1.190 1422 N CB -0.274 38.252 38.487 0.064 0.000 1.460 1422 N HN 0.528 nan 8.380 nan 0.000 0.538 1423 K N 0.145 120.578 120.400 0.055 0.000 2.480 1423 K HA 0.220 4.540 4.320 0.000 0.000 0.258 1423 K C 0.025 176.624 176.600 -0.003 0.000 0.990 1423 K CA -0.680 55.621 56.287 0.023 0.000 0.857 1423 K CB 1.658 34.172 32.500 0.023 0.000 1.384 1423 K HN 0.208 nan 8.250 nan 0.000 0.446 1424 E N -0.037 120.143 120.200 -0.034 0.000 2.474 1424 E HA 0.027 4.377 4.350 0.000 0.000 0.194 1424 E C 0.227 176.742 176.600 -0.140 0.000 1.041 1424 E CA 0.207 56.565 56.400 -0.070 0.000 0.874 1424 E CB 0.236 29.905 29.700 -0.052 0.000 0.914 1424 E HN 0.502 nan 8.360 nan 0.000 0.498 1425 c N -0.864 117.660 118.600 -0.126 0.000 2.779 1425 c HA 0.663 5.233 4.570 0.000 0.000 0.314 1425 c C -0.398 173.634 174.090 -0.096 0.000 1.231 1425 c CA -1.417 54.804 56.329 -0.180 0.000 1.652 1425 c CB 0.205 42.657 42.510 -0.096 0.000 2.198 1425 c HN -0.082 nan 8.230 nan 0.000 0.483 1426 F N 2.291 122.241 119.950 0.000 0.000 2.445 1426 F HA 0.361 4.888 4.527 0.000 0.000 0.359 1426 F C 0.926 176.654 175.800 -0.120 0.000 1.101 1426 F CA -0.443 57.529 58.000 -0.047 0.000 1.177 1426 F CB 0.064 39.085 39.000 0.036 0.000 1.110 1426 F HN 0.721 nan 8.300 nan 0.000 0.522 1427 N N 5.001 123.706 118.700 0.009 0.000 2.419 1427 N HA 0.268 5.008 4.740 0.000 0.000 0.264 1427 N C -2.658 172.675 175.510 -0.295 0.000 1.031 1427 N CA -1.628 51.337 53.050 -0.142 0.000 0.951 1427 N CB 1.083 39.498 38.487 -0.120 0.000 1.101 1427 N HN 0.155 nan 8.380 nan 0.000 0.488 1428 P HA 0.057 nan 4.420 nan 0.000 0.266 1428 P C -0.712 176.303 177.300 -0.475 0.000 1.195 1428 P CA -0.200 62.383 63.100 -0.861 0.000 0.768 1428 P CB 0.626 31.425 31.700 -1.501 0.000 0.838 1429 c N 2.767 121.089 118.600 -0.463 0.000 3.080 1429 c HA 0.844 5.414 4.570 0.000 0.000 0.307 1429 c C -0.594 173.300 174.090 -0.327 0.000 1.311 1429 c CA -0.311 55.694 56.329 -0.539 0.000 1.533 1429 c CB 1.004 42.680 42.510 -1.391 0.000 1.970 1429 c HN 0.685 nan 8.230 nan 0.000 0.467 1430 F N -0.010 119.686 119.950 -0.424 0.000 2.686 1430 F HA 0.807 5.334 4.527 0.000 0.000 0.311 1430 F C -1.209 174.555 175.800 -0.061 0.000 1.128 1430 F CA -1.173 56.578 58.000 -0.416 0.000 0.946 1430 F CB 0.883 39.205 39.000 -1.130 0.000 1.336 1430 F HN 0.726 nan 8.300 nan 0.000 0.457 1431 Y N -0.007 120.241 120.300 -0.086 0.000 2.562 1431 Y HA 0.893 5.443 4.550 0.000 0.000 0.343 1431 Y C -1.902 173.971 175.900 -0.045 0.000 1.025 1431 Y CA -1.883 56.126 58.100 -0.151 0.000 1.082 1431 Y CB 1.682 40.106 38.460 -0.060 0.000 1.264 1431 Y HN 0.582 nan 8.280 nan 0.000 0.478 1432 V N 2.029 121.954 119.914 0.018 0.000 2.531 1432 V HA 0.266 4.386 4.120 0.000 0.000 0.301 1432 V C -0.555 175.680 176.094 0.234 0.000 1.034 1432 V CA -1.017 61.276 62.300 -0.012 0.000 0.865 1432 V CB 1.482 33.228 31.823 -0.127 0.000 0.995 1432 V HN 0.891 nan 8.190 nan 0.000 0.424 1433 E N 4.755 125.143 120.200 0.313 0.000 2.223 1433 E HA 0.339 4.689 4.350 0.000 0.000 0.282 1433 E C -1.096 175.641 176.600 0.228 0.000 1.046 1433 E CA -0.485 56.090 56.400 0.291 0.000 0.857 1433 E CB 0.787 30.677 29.700 0.316 0.000 1.055 1433 E HN 0.635 nan 8.360 nan 0.000 0.409 1434 L N 7.122 128.467 121.223 0.204 0.000 2.315 1434 L HA 0.356 4.696 4.340 0.000 0.000 0.278 1434 L C -0.053 176.939 176.870 0.202 0.000 1.088 1434 L CA -0.466 54.505 54.840 0.219 0.000 0.899 1434 L CB 0.231 42.417 42.059 0.212 0.000 1.277 1434 L HN 0.514 nan 8.230 nan 0.000 0.431 1435 I N 3.769 124.459 120.570 0.198 0.000 2.471 1435 I HA 0.233 4.403 4.170 0.000 0.000 0.286 1435 I C 0.281 176.470 176.117 0.120 0.000 1.079 1435 I CA -0.183 61.194 61.300 0.127 0.000 1.398 1435 I CB 0.414 38.449 38.000 0.058 0.000 1.403 1435 I HN 0.490 nan 8.210 nan 0.000 0.530 1436 R N 4.182 124.753 120.500 0.118 0.000 2.778 1436 R HA 0.774 5.114 4.340 0.000 0.000 0.277 1436 R C 0.229 176.473 176.300 -0.094 0.000 0.977 1436 R CA -0.436 55.713 56.100 0.082 0.000 0.950 1436 R CB 1.485 31.931 30.300 0.243 0.000 1.165 1436 R HN 0.895 nan 8.270 nan 0.000 0.474 1437 G N 1.736 110.287 108.800 -0.414 0.000 2.508 1437 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 1437 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 1437 G C -0.720 173.904 174.900 -0.459 0.000 1.287 1437 G CA -0.630 44.048 45.100 -0.703 0.000 0.916 1437 G HN 0.511 nan 8.290 nan 0.000 0.574 1438 R N 1.439 121.710 120.500 -0.383 0.000 2.641 1438 R HA 0.341 4.681 4.340 0.000 0.000 0.269 1438 R C -1.126 175.034 176.300 -0.233 0.000 1.074 1438 R CA -0.675 55.258 56.100 -0.279 0.000 1.133 1438 R CB 0.864 31.042 30.300 -0.203 0.000 1.029 1438 R HN 0.428 nan 8.270 nan 0.000 0.488 1439 P HA 0.001 nan 4.420 nan 0.000 0.239 1439 P C 0.208 177.340 177.300 -0.281 0.000 1.188 1439 P CA 0.671 63.645 63.100 -0.210 0.000 0.794 1439 P CB 0.413 32.025 31.700 -0.146 0.000 0.937 1440 K N 0.673 120.805 120.400 -0.446 0.000 2.211 1440 K HA -0.033 4.287 4.320 0.000 0.000 0.203 1440 K C 0.576 176.908 176.600 -0.447 0.000 1.050 1440 K CA 0.925 56.842 56.287 -0.617 0.000 0.945 1440 K CB -0.046 31.581 32.500 -1.456 0.000 0.732 1440 K HN 0.417 nan 8.250 nan 0.000 0.451 1441 E N 0.797 120.745 120.200 -0.420 0.000 2.489 1441 E HA 0.084 4.434 4.350 0.000 0.000 0.232 1441 E C -0.009 176.421 176.600 -0.284 0.000 0.990 1441 E CA -0.197 56.037 56.400 -0.277 0.000 0.768 1441 E CB 1.078 30.615 29.700 -0.271 0.000 1.270 1441 E HN 0.050 nan 8.360 nan 0.000 0.423 1442 S N 0.139 115.721 115.700 -0.198 0.000 2.593 1442 S HA -0.091 4.379 4.470 0.000 0.000 0.217 1442 S C 1.712 176.218 174.600 -0.158 0.000 0.966 1442 S CA 0.175 58.267 58.200 -0.181 0.000 0.914 1442 S CB -0.011 63.114 63.200 -0.125 0.000 0.776 1442 S HN 0.334 nan 8.310 nan 0.000 0.523 1443 S N 1.104 116.715 115.700 -0.148 0.000 2.561 1443 S HA 0.164 4.634 4.470 0.000 0.000 0.225 1443 S C 0.686 175.205 174.600 -0.134 0.000 0.977 1443 S CA 0.113 58.252 58.200 -0.102 0.000 0.926 1443 S CB -0.831 62.338 63.200 -0.053 0.000 0.769 1443 S HN 0.724 nan 8.310 nan 0.000 0.533 1444 V N -2.129 117.614 119.914 -0.287 0.000 3.019 1444 V HA 0.580 4.700 4.120 0.000 0.000 0.317 1444 V C 0.775 176.631 176.094 -0.398 0.000 1.094 1444 V CA -1.111 60.946 62.300 -0.405 0.000 1.000 1444 V CB 1.362 32.636 31.823 -0.915 0.000 1.060 1444 V HN 0.180 nan 8.190 nan 0.000 0.443 1445 L N 0.793 121.851 121.223 -0.276 0.000 2.585 1445 L HA 0.273 4.613 4.340 0.000 0.000 0.226 1445 L C 0.652 177.493 176.870 -0.047 0.000 1.113 1445 L CA 0.083 54.858 54.840 -0.109 0.000 0.876 1445 L CB -0.043 42.030 42.059 0.025 0.000 1.072 1445 L HN 0.792 nan 8.230 nan 0.000 0.468 1446 W N -1.099 120.169 121.300 -0.054 0.000 2.703 1446 W HA 0.647 5.307 4.660 0.000 0.000 0.359 1446 W C -0.778 175.688 176.519 -0.088 0.000 1.168 1446 W CA -0.764 56.544 57.345 -0.061 0.000 1.177 1446 W CB 0.644 30.063 29.460 -0.068 0.000 1.434 1446 W HN -0.396 nan 8.180 nan 0.000 0.618 1447 T N 1.393 116.154 114.554 0.345 0.000 2.921 1447 T HA 0.438 4.788 4.350 0.000 0.000 0.297 1447 T C -0.925 173.966 174.700 0.319 0.000 1.013 1447 T CA -0.236 62.002 62.100 0.230 0.000 0.990 1447 T CB 2.064 70.967 68.868 0.059 0.000 1.023 1447 T HN 0.553 nan 8.240 nan 0.000 0.447 1448 S N 2.237 118.137 115.700 0.333 0.000 2.843 1448 S HA 0.825 5.295 4.470 0.000 0.000 0.301 1448 S C -1.702 172.975 174.600 0.129 0.000 1.206 1448 S CA -0.719 57.571 58.200 0.150 0.000 0.875 1448 S CB 1.307 64.491 63.200 -0.027 0.000 1.248 1448 S HN 1.025 nan 8.310 nan 0.000 0.555 1449 N N -0.793 117.952 118.700 0.075 0.000 3.020 1449 N HA 0.642 5.382 4.740 0.000 0.000 0.248 1449 N C -1.233 174.330 175.510 0.087 0.000 1.480 1449 N CA -0.353 52.758 53.050 0.100 0.000 0.874 1449 N CB 1.454 40.000 38.487 0.099 0.000 1.433 1449 N HN 0.700 nan 8.380 nan 0.000 0.530 1450 S N -0.567 115.204 115.700 0.118 0.000 2.745 1450 S HA 0.792 5.262 4.470 0.000 0.000 0.306 1450 S C -0.900 173.778 174.600 0.131 0.000 1.137 1450 S CA -0.856 57.414 58.200 0.116 0.000 0.900 1450 S CB 0.827 64.097 63.200 0.116 0.000 1.176 1450 S HN 0.581 nan 8.310 nan 0.000 0.520 1451 I N 0.574 121.215 120.570 0.117 0.000 2.730 1451 I HA 0.710 4.880 4.170 0.000 0.000 0.298 1451 I C -1.142 175.007 176.117 0.054 0.000 1.089 1451 I CA -1.141 60.215 61.300 0.094 0.000 1.041 1451 I CB 2.122 40.145 38.000 0.040 0.000 1.235 1451 I HN 0.536 nan 8.210 nan 0.000 0.423 1452 V N 4.356 124.290 119.914 0.033 0.000 2.789 1452 V HA 0.938 5.058 4.120 0.000 0.000 0.311 1452 V C -1.095 174.910 176.094 -0.149 0.000 1.073 1452 V CA -0.172 62.084 62.300 -0.073 0.000 0.921 1452 V CB 1.889 33.691 31.823 -0.035 0.000 1.009 1452 V HN 0.901 nan 8.190 nan 0.000 0.426 1453 A N 5.961 128.626 122.820 -0.257 0.000 2.475 1453 A HA 0.983 5.303 4.320 0.000 0.000 0.301 1453 A C -1.862 175.444 177.584 -0.463 0.000 1.059 1453 A CA -0.551 51.311 52.037 -0.292 0.000 0.710 1453 A CB 1.780 20.758 19.000 -0.036 0.000 1.288 1453 A HN 0.863 nan 8.150 nan 0.000 0.408 1454 L N -0.046 120.754 121.223 -0.705 0.000 2.409 1454 L HA 0.767 5.107 4.340 0.000 0.000 0.255 1454 L C -0.535 176.053 176.870 -0.470 0.000 1.027 1454 L CA -0.225 54.254 54.840 -0.602 0.000 0.834 1454 L CB 2.071 43.820 42.059 -0.516 0.000 1.426 1454 L HN 0.809 nan 8.230 nan 0.000 0.411 1455 c N -0.438 117.875 118.600 -0.479 0.000 2.971 1455 c HA 0.838 5.409 4.570 0.000 0.000 0.310 1455 c C 0.618 174.570 174.090 -0.230 0.000 1.285 1455 c CA -0.984 55.161 56.329 -0.306 0.000 1.593 1455 c CB 1.708 43.978 42.510 -0.401 0.000 2.076 1455 c HN 0.948 nan 8.230 nan 0.000 0.472 1456 G N 0.907 109.494 108.800 -0.356 0.000 2.527 1456 G HA2 0.478 4.438 3.960 0.000 0.000 0.248 1456 G HA3 0.478 4.438 3.960 0.000 0.000 0.248 1456 G C -0.402 174.306 174.900 -0.319 0.000 1.231 1456 G CA 0.227 44.853 45.100 -0.790 0.000 0.838 1456 G HN 0.866 nan 8.290 nan 0.000 0.570 1457 S N -0.361 115.123 115.700 -0.360 0.000 2.548 1457 S HA 0.389 4.859 4.470 0.000 0.000 0.286 1457 S C 0.784 175.271 174.600 -0.188 0.000 1.098 1457 S CA -0.780 57.325 58.200 -0.158 0.000 0.930 1457 S CB 1.931 65.096 63.200 -0.058 0.000 1.070 1457 S HN 0.591 nan 8.310 nan 0.000 0.480 1458 K N 1.237 121.569 120.400 -0.113 0.000 2.418 1458 K HA 0.143 4.463 4.320 0.000 0.000 0.195 1458 K C 0.244 176.816 176.600 -0.047 0.000 1.035 1458 K CA 0.409 56.651 56.287 -0.076 0.000 1.003 1458 K CB 0.093 32.559 32.500 -0.056 0.000 0.793 1458 K HN 0.394 nan 8.250 nan 0.000 0.494 1459 K N 0.776 121.147 120.400 -0.048 0.000 2.127 1459 K HA 0.207 4.527 4.320 0.000 0.000 0.240 1459 K C 0.016 176.614 176.600 -0.004 0.000 1.024 1459 K CA -0.469 55.805 56.287 -0.022 0.000 0.918 1459 K CB 0.622 33.108 32.500 -0.023 0.000 1.108 1459 K HN -0.109 nan 8.250 nan 0.000 0.485 1460 R N 1.815 122.324 120.500 0.016 0.000 2.522 1460 R HA 0.331 4.671 4.340 0.000 0.000 0.290 1460 R C -0.194 176.133 176.300 0.045 0.000 1.216 1460 R CA -0.294 55.831 56.100 0.041 0.000 1.250 1460 R CB -0.488 29.839 30.300 0.046 0.000 1.143 1460 R HN 0.411 nan 8.270 nan 0.000 0.553 1461 L N 0.773 122.030 121.223 0.057 0.000 2.357 1461 L HA 0.452 4.792 4.340 0.000 0.000 0.273 1461 L C 1.357 178.279 176.870 0.087 0.000 1.080 1461 L CA -0.759 54.119 54.840 0.063 0.000 0.803 1461 L CB 1.289 43.398 42.059 0.082 0.000 1.174 1461 L HN 0.468 nan 8.230 nan 0.000 0.443 1462 G N 1.029 109.865 108.800 0.060 0.000 2.667 1462 G HA2 0.423 4.383 3.960 0.000 0.000 0.250 1462 G HA3 0.423 4.383 3.960 0.000 0.000 0.250 1462 G C -0.273 174.686 174.900 0.098 0.000 1.212 1462 G CA -0.092 45.043 45.100 0.058 0.000 0.874 1462 G HN 0.693 nan 8.290 nan 0.000 0.561 1463 S N -0.631 115.140 115.700 0.117 0.000 2.651 1463 S HA 0.834 5.304 4.470 0.000 0.000 0.279 1463 S C -1.277 173.458 174.600 0.224 0.000 1.148 1463 S CA -0.776 57.547 58.200 0.204 0.000 0.837 1463 S CB 2.137 65.516 63.200 0.298 0.000 1.138 1463 S HN 1.538 nan 8.310 nan 0.000 0.478 1464 W N -0.494 120.769 121.300 -0.061 0.000 3.025 1464 W HA 0.760 5.420 4.660 0.000 0.000 0.343 1464 W C -0.897 175.433 176.519 -0.314 0.000 1.246 1464 W CA -1.329 55.901 57.345 -0.192 0.000 1.178 1464 W CB 0.568 29.864 29.460 -0.272 0.000 1.463 1464 W HN 0.818 nan 8.180 nan 0.000 0.578 1465 S N 0.418 116.016 115.700 -0.169 0.000 2.531 1465 S HA 0.295 4.765 4.470 0.000 0.000 0.279 1465 S C -1.022 173.230 174.600 -0.580 0.000 1.305 1465 S CA -0.069 58.046 58.200 -0.142 0.000 1.058 1465 S CB -0.015 63.252 63.200 0.111 0.000 0.899 1465 S HN 0.398 nan 8.310 nan 0.000 0.493 1466 W N 5.238 126.468 121.300 -0.117 0.000 1.948 1466 W HA 0.287 4.947 4.660 0.000 0.000 0.335 1466 W C 0.539 176.952 176.519 -0.176 0.000 0.753 1466 W CA -0.915 56.290 57.345 -0.233 0.000 2.601 1466 W CB -0.307 29.125 29.460 -0.047 0.000 2.143 1466 W HN 0.813 nan 8.180 nan 0.000 0.636 1467 H N -2.483 116.625 119.070 0.063 0.000 2.639 1467 H HA 0.106 4.662 4.556 0.000 0.000 0.373 1467 H C 1.344 176.732 175.328 0.100 0.000 1.372 1467 H CA 0.178 56.275 56.048 0.081 0.000 1.448 1467 H CB 0.792 30.558 29.762 0.006 0.000 1.544 1467 H HN 0.082 nan 8.280 nan 0.000 0.615 1468 D N -0.397 120.158 120.400 0.258 0.000 2.092 1468 D HA -0.120 4.520 4.640 0.000 0.000 0.193 1468 D C 1.804 178.210 176.300 0.177 0.000 0.994 1468 D CA 2.967 57.089 54.000 0.203 0.000 0.828 1468 D CB -0.527 40.410 40.800 0.227 0.000 0.963 1468 D HN 0.973 nan 8.370 nan 0.000 0.450 1469 G N -1.048 107.898 108.800 0.242 0.000 2.176 1469 G HA2 -0.139 3.821 3.960 0.000 0.000 0.232 1469 G HA3 -0.139 3.821 3.960 0.000 0.000 0.232 1469 G C 0.377 175.390 174.900 0.187 0.000 0.986 1469 G CA 0.472 45.692 45.100 0.200 0.000 0.643 1469 G HN 0.772 nan 8.290 nan 0.000 0.522 1470 A N 0.120 123.073 122.820 0.222 0.000 2.340 1470 A HA 0.652 4.972 4.320 0.000 0.000 0.268 1470 A C 0.238 177.954 177.584 0.220 0.000 1.100 1470 A CA -0.125 52.080 52.037 0.278 0.000 0.803 1470 A CB 0.483 19.719 19.000 0.393 0.000 1.043 1470 A HN 0.190 nan 8.150 nan 0.000 0.488 1471 E N 2.015 122.316 120.200 0.169 0.000 2.055 1471 E HA 0.158 4.508 4.350 0.000 0.000 0.274 1471 E C 0.517 177.176 176.600 0.098 0.000 0.949 1471 E CA -0.408 55.952 56.400 -0.067 0.000 0.775 1471 E CB 1.270 30.579 29.700 -0.653 0.000 1.097 1471 E HN 0.616 nan 8.360 nan 0.000 0.404 1472 I N 3.709 124.377 120.570 0.164 0.000 2.423 1472 I HA -0.246 3.925 4.170 0.000 0.000 0.254 1472 I C 1.875 178.133 176.117 0.234 0.000 1.151 1472 I CA 1.024 62.480 61.300 0.260 0.000 1.421 1472 I CB -0.046 38.022 38.000 0.114 0.000 1.079 1472 I HN 0.614 nan 8.210 nan 0.000 0.431 1473 I N -0.844 119.757 120.570 0.052 0.000 2.454 1473 I HA -0.341 3.830 4.170 0.000 0.000 0.254 1473 I C 1.886 178.104 176.117 0.169 0.000 1.156 1473 I CA 1.393 62.725 61.300 0.054 0.000 1.433 1473 I CB -0.211 37.767 38.000 -0.037 0.000 1.082 1473 I HN 0.274 nan 8.210 nan 0.000 0.432 1474 Y N -0.726 119.639 120.300 0.108 0.000 2.421 1474 Y HA -0.182 4.368 4.550 0.000 0.000 0.292 1474 Y C 1.700 177.533 175.900 -0.112 0.000 1.136 1474 Y CA 0.325 58.401 58.100 -0.040 0.000 1.255 1474 Y CB -0.021 38.352 38.460 -0.146 0.000 0.991 1474 Y HN 0.138 nan 8.280 nan 0.000 0.552 1475 F N 0.160 120.284 119.950 0.290 0.000 2.765 1475 F HA 0.059 4.586 4.527 0.000 0.000 0.302 1475 F C 0.952 176.869 175.800 0.196 0.000 1.111 1475 F CA -0.035 58.132 58.000 0.278 0.000 1.359 1475 F CB -0.065 39.195 39.000 0.433 0.000 1.097 1475 F HN -0.023 nan 8.300 nan 0.000 0.577 1476 E N 0.000 120.370 120.200 0.283 0.000 2.725 1476 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1476 E CA 0.000 56.503 56.400 0.171 0.000 0.976 1476 E CB 0.000 29.770 29.700 0.117 0.000 0.812 1476 E HN 0.000 nan 8.360 nan 0.000 0.440