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 1w1x_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 0.000 176.297 176.300 -0.005 0.000 0.893 1088 R CA 0.000 56.107 56.100 0.012 0.000 0.921 1088 R CB 0.000 30.324 30.300 0.041 0.000 0.687 1089 T N -0.062 114.516 114.554 0.039 0.000 2.894 1089 T HA 0.542 4.892 4.350 0.001 0.000 0.309 1089 T C -1.458 173.310 174.700 0.115 0.000 1.208 1089 T CA -0.578 61.539 62.100 0.029 0.000 1.016 1089 T CB 0.615 69.538 68.868 0.091 0.000 1.192 1089 T HN 0.114 nan 8.240 nan 0.000 0.491 1090 F N 2.742 122.773 119.950 0.135 0.000 2.578 1090 F HA 0.247 4.775 4.527 0.001 0.000 0.381 1090 F C 0.768 176.650 175.800 0.136 0.000 1.069 1090 F CA -0.766 57.314 58.000 0.135 0.000 1.231 1090 F CB 0.554 39.591 39.000 0.062 0.000 1.086 1090 F HN 0.324 nan 8.300 nan 0.000 0.564 1091 L N 5.899 127.378 121.223 0.426 0.000 2.462 1091 L HA 0.136 4.477 4.340 0.001 0.000 0.272 1091 L C -0.524 176.397 176.870 0.085 0.000 1.166 1091 L CA -0.025 54.953 54.840 0.229 0.000 0.880 1091 L CB -0.060 42.084 42.059 0.141 0.000 1.142 1091 L HN 0.426 nan 8.230 nan 0.000 0.473 1092 N N 5.361 124.114 118.700 0.088 0.000 2.430 1092 N HA 0.333 5.074 4.740 0.001 0.000 0.292 1092 N C -0.386 175.306 175.510 0.303 0.000 1.051 1092 N CA -0.391 52.725 53.050 0.111 0.000 0.917 1092 N CB 1.670 40.215 38.487 0.095 0.000 1.164 1092 N HN 0.641 nan 8.380 nan 0.000 0.484 1093 L N 1.340 122.869 121.223 0.510 0.000 2.955 1093 L HA 0.130 4.470 4.340 0.001 0.000 0.238 1093 L C 1.548 178.686 176.870 0.446 0.000 1.359 1093 L CA -0.085 55.021 54.840 0.444 0.000 1.214 1093 L CB -0.953 41.211 42.059 0.175 0.000 1.600 1093 L HN 0.632 nan 8.230 nan 0.000 0.442 1094 T N -3.867 110.888 114.554 0.336 0.000 3.014 1094 T HA 0.004 4.355 4.350 0.001 0.000 0.263 1094 T C 0.991 175.700 174.700 0.015 0.000 1.078 1094 T CA 0.079 62.272 62.100 0.154 0.000 1.135 1094 T CB -0.006 68.925 68.868 0.106 0.000 0.895 1094 T HN 0.255 nan 8.240 nan 0.000 0.480 1095 K N 3.158 123.422 120.400 -0.225 0.000 2.414 1095 K HA 0.219 4.540 4.320 0.001 0.000 0.272 1095 K C -2.356 174.049 176.600 -0.327 0.000 0.993 1095 K CA -1.509 54.437 56.287 -0.569 0.000 0.964 1095 K CB 0.185 31.852 32.500 -1.389 0.000 0.925 1095 K HN 0.269 nan 8.250 nan 0.000 0.487 1096 P HA 0.119 nan 4.420 nan 0.000 0.277 1096 P C -0.391 176.921 177.300 0.019 0.000 1.271 1096 P CA -0.436 62.652 63.100 -0.021 0.000 0.795 1096 P CB 0.673 32.362 31.700 -0.019 0.000 1.101 1097 L N 0.499 121.798 121.223 0.127 0.000 2.349 1097 L HA 0.159 4.499 4.340 0.001 0.000 0.275 1097 L C 0.572 177.461 176.870 0.031 0.000 1.115 1097 L CA -0.486 54.432 54.840 0.130 0.000 0.820 1097 L CB 0.577 42.744 42.059 0.180 0.000 1.135 1097 L HN 0.455 nan 8.230 nan 0.000 0.445 1098 c N 2.484 121.073 118.600 -0.017 0.000 2.679 1098 c HA -0.003 4.567 4.570 0.001 0.000 0.417 1098 c C 0.883 174.941 174.090 -0.053 0.000 1.302 1098 c CA -0.529 55.767 56.329 -0.054 0.000 1.973 1098 c CB -0.178 42.276 42.510 -0.093 0.000 2.715 1098 c HN 0.713 nan 8.230 nan 0.000 0.628 1099 E N 1.088 121.264 120.200 -0.040 0.000 2.415 1099 E HA 0.284 4.635 4.350 0.001 0.000 0.263 1099 E C -1.117 175.437 176.600 -0.077 0.000 0.995 1099 E CA -0.024 56.363 56.400 -0.022 0.000 0.915 1099 E CB 0.535 30.229 29.700 -0.011 0.000 0.951 1099 E HN 0.520 nan 8.360 nan 0.000 0.449 1100 V N 5.678 125.571 119.914 -0.035 0.000 2.444 1100 V HA 0.197 4.317 4.120 0.001 0.000 0.294 1100 V C 0.186 176.314 176.094 0.057 0.000 1.022 1100 V CA -0.752 61.430 62.300 -0.197 0.000 0.850 1100 V CB 1.589 33.090 31.823 -0.535 0.000 0.992 1100 V HN 0.750 nan 8.190 nan 0.000 0.426 1101 N N 1.854 120.514 118.700 -0.067 0.000 2.257 1101 N HA 0.146 4.886 4.740 0.001 0.000 0.200 1101 N C 0.421 175.985 175.510 0.090 0.000 1.163 1101 N CA 0.555 53.688 53.050 0.139 0.000 0.891 1101 N CB 1.248 39.779 38.487 0.073 0.000 1.067 1101 N HN 0.786 nan 8.380 nan 0.000 0.497 1102 S N -1.221 114.296 115.700 -0.305 0.000 2.727 1102 S HA 0.625 5.095 4.470 0.001 0.000 0.278 1102 S C -2.094 172.057 174.600 -0.749 0.000 1.186 1102 S CA -0.941 57.051 58.200 -0.347 0.000 0.836 1102 S CB 1.239 64.433 63.200 -0.010 0.000 1.186 1102 S HN 0.129 nan 8.310 nan 0.000 0.499 1103 W N 1.055 122.312 121.300 -0.073 0.000 2.785 1103 W HA 0.654 5.315 4.660 0.001 0.000 0.333 1103 W C -0.260 176.271 176.519 0.020 0.000 1.062 1103 W CA -0.308 56.990 57.345 -0.079 0.000 1.233 1103 W CB 1.208 30.666 29.460 -0.005 0.000 1.413 1103 W HN 1.013 nan 8.180 nan 0.000 0.489 1104 H N 0.347 119.502 119.070 0.141 0.000 2.529 1104 H HA 0.654 5.211 4.556 0.001 0.000 0.348 1104 H C -0.673 174.671 175.328 0.026 0.000 1.152 1104 H CA -1.339 54.763 56.048 0.089 0.000 1.202 1104 H CB 1.285 31.058 29.762 0.019 0.000 1.562 1104 H HN 0.383 nan 8.280 nan 0.000 0.515 1105 I N 3.250 123.877 120.570 0.095 0.000 2.618 1105 I HA -0.036 4.135 4.170 0.001 0.000 0.284 1105 I C 0.241 176.317 176.117 -0.068 0.000 1.146 1105 I CA 0.046 61.225 61.300 -0.202 0.000 1.425 1105 I CB 0.219 37.954 38.000 -0.441 0.000 1.383 1105 I HN 0.825 nan 8.210 nan 0.000 0.562 1106 L N 5.807 126.912 121.223 -0.198 0.000 2.347 1106 L HA 0.426 4.766 4.340 0.001 0.000 0.196 1106 L C 0.517 177.337 176.870 -0.083 0.000 1.072 1106 L CA 0.846 55.646 54.840 -0.067 0.000 0.817 1106 L CB 0.033 42.058 42.059 -0.058 0.000 1.029 1106 L HN 0.679 nan 8.230 nan 0.000 0.478 1107 S N -0.938 114.664 115.700 -0.162 0.000 2.565 1107 S HA 0.522 4.993 4.470 0.001 0.000 0.269 1107 S C -1.545 172.950 174.600 -0.176 0.000 1.153 1107 S CA -0.793 57.328 58.200 -0.131 0.000 0.835 1107 S CB 1.096 64.248 63.200 -0.080 0.000 1.122 1107 S HN 0.135 nan 8.310 nan 0.000 0.462 1108 K N 1.505 121.842 120.400 -0.104 0.000 2.565 1108 K HA 0.312 4.632 4.320 0.001 0.000 0.251 1108 K C -0.877 175.735 176.600 0.018 0.000 0.956 1108 K CA -0.466 55.786 56.287 -0.058 0.000 0.809 1108 K CB 1.104 33.569 32.500 -0.060 0.000 1.267 1108 K HN 0.709 nan 8.250 nan 0.000 0.438 1109 D N 2.714 123.145 120.400 0.052 0.000 2.367 1109 D HA -0.039 4.602 4.640 0.001 0.000 0.207 1109 D C -0.252 176.088 176.300 0.066 0.000 1.034 1109 D CA 0.147 54.195 54.000 0.080 0.000 0.861 1109 D CB 0.065 40.953 40.800 0.147 0.000 0.943 1109 D HN 0.638 nan 8.370 nan 0.000 0.515 1110 N N 0.380 119.125 118.700 0.075 0.000 2.721 1110 N HA -0.212 4.529 4.740 0.001 0.000 0.249 1110 N C 0.978 176.523 175.510 0.060 0.000 1.072 1110 N CA 0.750 53.847 53.050 0.079 0.000 0.710 1110 N CB -1.213 37.320 38.487 0.077 0.000 0.993 1110 N HN 0.476 nan 8.380 nan 0.000 0.547 1111 A N -0.061 122.786 122.820 0.044 0.000 1.972 1111 A HA -0.095 4.226 4.320 0.001 0.000 0.219 1111 A C 2.164 179.748 177.584 0.000 0.000 1.169 1111 A CA 1.000 53.033 52.037 -0.008 0.000 0.635 1111 A CB 0.020 19.000 19.000 -0.035 0.000 0.810 1111 A HN 0.340 nan 8.150 nan 0.000 0.446 1112 I N -0.628 119.974 120.570 0.054 0.000 2.400 1112 I HA -0.090 4.080 4.170 0.001 0.000 0.248 1112 I C 2.469 178.725 176.117 0.232 0.000 1.109 1112 I CA 1.009 62.369 61.300 0.099 0.000 1.425 1112 I CB -1.359 36.712 38.000 0.118 0.000 1.094 1112 I HN 0.329 nan 8.210 nan 0.000 0.425 1113 R N 0.732 121.349 120.500 0.195 0.000 2.091 1113 R HA -0.117 4.223 4.340 0.001 0.000 0.238 1113 R C 2.304 178.663 176.300 0.098 0.000 1.136 1113 R CA 1.408 57.617 56.100 0.182 0.000 0.959 1113 R CB -0.258 30.127 30.300 0.142 0.000 0.856 1113 R HN 0.311 nan 8.270 nan 0.000 0.437 1114 I N -0.526 120.077 120.570 0.055 0.000 2.406 1114 I HA -0.078 4.093 4.170 0.001 0.000 0.249 1114 I C 2.301 178.399 176.117 -0.031 0.000 1.122 1114 I CA 1.025 62.324 61.300 -0.002 0.000 1.431 1114 I CB -0.321 37.668 38.000 -0.019 0.000 1.087 1114 I HN 0.284 nan 8.210 nan 0.000 0.424 1115 G N 0.070 108.865 108.800 -0.009 0.000 2.679 1115 G HA2 -0.203 3.758 3.960 0.001 0.000 0.212 1115 G HA3 -0.203 3.758 3.960 0.001 0.000 0.212 1115 G C 1.498 176.408 174.900 0.017 0.000 1.137 1115 G CA 0.101 45.178 45.100 -0.038 0.000 0.787 1115 G HN 0.276 nan 8.290 nan 0.000 0.534 1116 E N 0.650 120.877 120.200 0.045 0.000 2.265 1116 E HA -0.122 4.229 4.350 0.001 0.000 0.196 1116 E C 1.445 177.913 176.600 -0.220 0.000 0.996 1116 E CA 1.456 57.737 56.400 -0.198 0.000 0.832 1116 E CB 0.157 29.623 29.700 -0.389 0.000 0.756 1116 E HN 0.500 nan 8.360 nan 0.000 0.491 1117 D N -1.422 118.874 120.400 -0.173 0.000 2.409 1117 D HA 0.206 4.846 4.640 0.001 0.000 0.301 1117 D C 0.094 176.224 176.300 -0.282 0.000 1.095 1117 D CA 0.601 54.481 54.000 -0.200 0.000 0.929 1117 D CB 0.336 41.034 40.800 -0.171 0.000 1.623 1117 D HN 0.133 nan 8.370 nan 0.000 0.506 1118 A N -0.311 122.357 122.820 -0.254 0.000 2.246 1118 A HA 0.521 4.841 4.320 0.001 0.000 0.291 1118 A C -0.864 176.495 177.584 -0.375 0.000 1.103 1118 A CA -0.294 51.542 52.037 -0.335 0.000 0.844 1118 A CB 0.123 19.029 19.000 -0.156 0.000 1.136 1118 A HN 0.405 nan 8.150 nan 0.000 0.500 1119 H N 0.390 119.436 119.070 -0.039 0.000 2.821 1119 H HA 0.342 4.898 4.556 0.001 0.000 0.262 1119 H C -0.599 174.603 175.328 -0.209 0.000 1.402 1119 H CA -0.277 55.710 56.048 -0.102 0.000 1.293 1119 H CB -0.029 29.695 29.762 -0.063 0.000 1.533 1119 H HN 0.276 nan 8.280 nan 0.000 0.528 1120 I N 3.530 124.017 120.570 -0.138 0.000 2.359 1120 I HA 0.108 4.279 4.170 0.001 0.000 0.294 1120 I C 0.435 176.417 176.117 -0.225 0.000 0.987 1120 I CA -0.675 60.498 61.300 -0.212 0.000 1.225 1120 I CB 1.272 39.157 38.000 -0.193 0.000 1.366 1120 I HN 0.470 nan 8.210 nan 0.000 0.466 1121 L N 5.708 126.762 121.223 -0.280 0.000 2.453 1121 L HA 0.115 4.455 4.340 0.001 0.000 0.272 1121 L C 0.181 176.923 176.870 -0.214 0.000 1.182 1121 L CA -0.325 54.370 54.840 -0.242 0.000 0.858 1121 L CB 0.460 42.362 42.059 -0.262 0.000 1.120 1121 L HN 0.247 nan 8.230 nan 0.000 0.474 1122 V N 2.721 122.537 119.914 -0.162 0.000 2.599 1122 V HA 0.174 4.294 4.120 0.001 0.000 0.300 1122 V C 0.685 176.735 176.094 -0.073 0.000 1.034 1122 V CA 0.240 62.465 62.300 -0.124 0.000 1.115 1122 V CB 0.639 32.417 31.823 -0.076 0.000 0.934 1122 V HN 1.023 nan 8.190 nan 0.000 0.485 1123 T N 3.444 117.969 114.554 -0.047 0.000 2.696 1123 T HA 0.825 5.176 4.350 0.001 0.000 0.291 1123 T C -0.642 174.073 174.700 0.025 0.000 1.095 1123 T CA -1.045 61.054 62.100 -0.003 0.000 1.026 1123 T CB 2.587 71.454 68.868 -0.001 0.000 1.390 1123 T HN 0.610 nan 8.240 nan 0.000 0.513 1124 R N -0.609 119.916 120.500 0.043 0.000 2.774 1124 R HA 0.366 4.706 4.340 0.001 0.000 0.279 1124 R C -1.460 174.865 176.300 0.041 0.000 1.022 1124 R CA -0.651 55.459 56.100 0.016 0.000 0.855 1124 R CB 1.170 31.455 30.300 -0.025 0.000 1.279 1124 R HN 0.951 nan 8.270 nan 0.000 0.485 1125 E N -0.270 119.924 120.200 -0.011 0.000 2.287 1125 E HA -0.139 4.211 4.350 0.001 0.000 0.229 1125 E C -2.559 174.180 176.600 0.232 0.000 1.194 1125 E CA 0.622 57.088 56.400 0.110 0.000 0.704 1125 E CB -1.003 28.785 29.700 0.146 0.000 1.216 1125 E HN 0.278 nan 8.360 nan 0.000 0.381 1126 P HA 0.384 nan 4.420 nan 0.000 0.278 1126 P C -0.593 176.587 177.300 -0.200 0.000 1.266 1126 P CA -0.243 62.853 63.100 -0.007 0.000 0.807 1126 P CB 0.761 32.424 31.700 -0.061 0.000 1.094 1127 Y N -2.305 117.606 120.300 -0.649 0.000 2.895 1127 Y HA 0.636 5.186 4.550 0.001 0.000 0.339 1127 Y C -1.870 173.599 175.900 -0.718 0.000 1.363 1127 Y CA -1.310 56.133 58.100 -1.094 0.000 1.085 1127 Y CB 0.302 38.447 38.460 -0.524 0.000 1.500 1127 Y HN 0.109 nan 8.280 nan 0.000 0.442 1128 L N 1.365 122.248 121.223 -0.566 0.000 2.350 1128 L HA 0.844 5.185 4.340 0.001 0.000 0.260 1128 L C -0.712 175.918 176.870 -0.399 0.000 1.015 1128 L CA -1.034 53.407 54.840 -0.665 0.000 0.821 1128 L CB 1.982 43.244 42.059 -1.327 0.000 1.370 1128 L HN 0.813 nan 8.230 nan 0.000 0.416 1129 S N -0.167 115.426 115.700 -0.178 0.000 2.537 1129 S HA 0.668 5.139 4.470 0.001 0.000 0.270 1129 S C -1.141 173.549 174.600 0.149 0.000 1.142 1129 S CA -0.356 57.865 58.200 0.036 0.000 0.870 1129 S CB 1.524 64.639 63.200 -0.142 0.000 1.112 1129 S HN 0.680 nan 8.310 nan 0.000 0.466 1130 c N 2.525 121.295 118.600 0.283 0.000 2.486 1130 c HA 0.943 5.514 4.570 0.001 0.000 0.348 1130 c C -0.303 173.801 174.090 0.024 0.000 1.203 1130 c CA -0.470 55.997 56.329 0.230 0.000 1.911 1130 c CB 0.981 43.734 42.510 0.405 0.000 2.340 1130 c HN 1.045 nan 8.230 nan 0.000 0.511 1131 D N -0.851 119.312 120.400 -0.395 0.000 2.798 1131 D HA 0.451 5.091 4.640 0.001 0.000 0.308 1131 D C -2.622 172.961 176.300 -1.195 0.000 1.187 1131 D CA -1.045 52.182 54.000 -1.290 0.000 1.033 1131 D CB 0.009 40.103 40.800 -1.177 0.000 1.445 1131 D HN 0.103 nan 8.370 nan 0.000 0.550 1132 P HA -0.062 nan 4.420 nan 0.000 0.222 1132 P C 0.851 177.968 177.300 -0.304 0.000 1.147 1132 P CA 1.234 63.876 63.100 -0.762 0.000 0.790 1132 P CB 0.206 31.564 31.700 -0.569 0.000 0.780 1133 Q N -1.413 118.207 119.800 -0.300 0.000 2.408 1133 Q HA 0.360 4.701 4.340 0.001 0.000 0.205 1133 Q C 0.984 176.925 176.000 -0.098 0.000 0.919 1133 Q CA 0.546 56.257 55.803 -0.153 0.000 0.932 1133 Q CB 0.439 29.089 28.738 -0.146 0.000 1.058 1133 Q HN 0.195 nan 8.270 nan 0.000 0.517 1134 G N -1.862 106.876 108.800 -0.104 0.000 2.350 1134 G HA2 0.124 4.084 3.960 0.001 0.000 0.276 1134 G HA3 0.124 4.084 3.960 0.001 0.000 0.276 1134 G C -1.493 173.389 174.900 -0.029 0.000 1.313 1134 G CA -0.675 44.402 45.100 -0.039 0.000 0.903 1134 G HN 0.025 nan 8.290 nan 0.000 0.490 1135 c N 0.030 118.619 118.600 -0.019 0.000 2.456 1135 c HA 0.934 5.505 4.570 0.001 0.000 0.325 1135 c C 0.426 174.441 174.090 -0.125 0.000 1.217 1135 c CA -0.596 55.719 56.329 -0.024 0.000 1.687 1135 c CB 1.151 43.682 42.510 0.035 0.000 2.270 1135 c HN 0.773 nan 8.230 nan 0.000 0.499 1136 R N 1.481 121.886 120.500 -0.158 0.000 2.854 1136 R HA 0.674 5.015 4.340 0.001 0.000 0.271 1136 R C -0.995 174.984 176.300 -0.535 0.000 0.994 1136 R CA -0.656 55.226 56.100 -0.364 0.000 0.945 1136 R CB 1.574 31.629 30.300 -0.408 0.000 1.194 1136 R HN 0.623 nan 8.270 nan 0.000 0.476 1137 M N 1.746 120.737 119.600 -1.015 0.000 2.318 1137 M HA 0.420 4.900 4.480 0.001 0.000 0.347 1137 M C -1.117 174.123 176.300 -1.767 0.000 1.175 1137 M CA -0.079 54.425 55.300 -1.326 0.000 1.075 1137 M CB 0.850 32.412 32.600 -1.730 0.000 1.614 1137 M HN 0.343 nan 8.290 nan 0.000 0.456 1138 F N 0.786 119.929 119.950 -1.345 0.000 2.611 1138 F HA 0.915 5.443 4.527 0.001 0.000 0.324 1138 F C -0.015 175.371 175.800 -0.690 0.000 1.061 1138 F CA -0.671 56.691 58.000 -1.063 0.000 0.954 1138 F CB 2.013 40.145 39.000 -1.447 0.000 1.301 1138 F HN 0.645 nan 8.300 nan 0.000 0.482 1139 A N 0.572 123.364 122.820 -0.046 0.000 2.489 1139 A HA 0.611 4.931 4.320 0.001 0.000 0.293 1139 A C -2.345 175.334 177.584 0.157 0.000 1.004 1139 A CA -0.841 51.272 52.037 0.126 0.000 0.626 1139 A CB 0.683 19.839 19.000 0.259 0.000 1.345 1139 A HN 0.655 nan 8.150 nan 0.000 0.447 1140 L N 2.110 123.420 121.223 0.146 0.000 2.272 1140 L HA 0.464 4.805 4.340 0.001 0.000 0.284 1140 L C 0.973 177.892 176.870 0.082 0.000 1.045 1140 L CA -0.369 54.543 54.840 0.120 0.000 0.842 1140 L CB 1.337 43.480 42.059 0.140 0.000 1.224 1140 L HN 0.805 nan 8.230 nan 0.000 0.430 1141 S N 2.105 117.835 115.700 0.051 0.000 2.580 1141 S HA 0.060 4.531 4.470 0.001 0.000 0.266 1141 S C 0.769 175.398 174.600 0.048 0.000 1.354 1141 S CA -0.125 58.082 58.200 0.012 0.000 1.008 1141 S CB 0.785 63.968 63.200 -0.028 0.000 0.898 1141 S HN 0.638 nan 8.310 nan 0.000 0.555 1142 Q N 1.318 121.142 119.800 0.041 0.000 2.198 1142 Q HA 0.198 4.538 4.340 0.001 0.000 0.209 1142 Q C 0.997 177.059 176.000 0.103 0.000 0.848 1142 Q CA 0.526 56.385 55.803 0.095 0.000 0.974 1142 Q CB 0.513 29.308 28.738 0.095 0.000 1.115 1142 Q HN 1.159 nan 8.270 nan 0.000 0.494 1143 G N 2.086 110.911 108.800 0.043 0.000 2.295 1143 G HA2 -0.256 3.704 3.960 0.001 0.000 0.287 1143 G HA3 -0.256 3.704 3.960 0.001 0.000 0.287 1143 G C 0.021 174.888 174.900 -0.055 0.000 1.055 1143 G CA 1.122 46.228 45.100 0.009 0.000 0.922 1143 G HN 0.347 nan 8.290 nan 0.000 0.503 1144 T N -1.388 113.132 114.554 -0.057 0.000 2.893 1144 T HA 0.678 5.028 4.350 0.001 0.000 0.337 1144 T C 0.371 175.026 174.700 -0.075 0.000 1.587 1144 T CA 0.864 62.929 62.100 -0.058 0.000 1.066 1144 T CB 1.099 69.972 68.868 0.009 0.000 1.414 1144 T HN 1.396 nan 8.240 nan 0.000 0.488 1145 T N 1.715 116.228 114.554 -0.069 0.000 2.849 1145 T HA 0.422 4.772 4.350 0.001 0.000 0.284 1145 T C 1.416 176.045 174.700 -0.118 0.000 1.004 1145 T CA -0.527 61.517 62.100 -0.093 0.000 1.021 1145 T CB 0.812 69.655 68.868 -0.042 0.000 1.013 1145 T HN 0.492 nan 8.240 nan 0.000 0.527 1146 L N 0.244 121.351 121.223 -0.192 0.000 2.093 1146 L HA 0.221 4.562 4.340 0.001 0.000 0.208 1146 L C 2.514 179.227 176.870 -0.263 0.000 1.085 1146 L CA 1.583 56.208 54.840 -0.358 0.000 0.755 1146 L CB -0.734 41.064 42.059 -0.435 0.000 0.904 1146 L HN 0.567 nan 8.230 nan 0.000 0.435 1147 R N 0.307 120.753 120.500 -0.089 0.000 2.275 1147 R HA 0.250 4.590 4.340 0.001 0.000 0.199 1147 R C 0.750 177.065 176.300 0.025 0.000 0.989 1147 R CA 0.322 56.425 56.100 0.005 0.000 1.016 1147 R CB -0.966 29.339 30.300 0.008 0.000 0.918 1147 R HN 0.406 nan 8.270 nan 0.000 0.473 1148 G N -0.333 108.475 108.800 0.013 0.000 2.491 1148 G HA2 -0.010 3.951 3.960 0.001 0.000 0.242 1148 G HA3 -0.010 3.951 3.960 0.001 0.000 0.242 1148 G C 0.317 175.235 174.900 0.030 0.000 1.266 1148 G CA -0.456 44.667 45.100 0.039 0.000 0.844 1148 G HN 0.249 nan 8.290 nan 0.000 0.571 1149 R N 0.018 120.507 120.500 -0.018 0.000 2.159 1149 R HA -0.103 4.237 4.340 0.001 0.000 0.237 1149 R C 1.783 178.005 176.300 -0.131 0.000 1.131 1149 R CA 1.404 57.450 56.100 -0.090 0.000 0.982 1149 R CB -0.143 30.051 30.300 -0.175 0.000 0.868 1149 R HN 0.789 nan 8.270 nan 0.000 0.453 1150 H N -0.733 118.333 119.070 -0.007 0.000 2.563 1150 H HA 0.072 4.629 4.556 0.001 0.000 0.272 1150 H C 1.677 177.015 175.328 0.016 0.000 1.005 1150 H CA 0.631 56.669 56.048 -0.016 0.000 1.171 1150 H CB 0.146 29.869 29.762 -0.066 0.000 1.351 1150 H HN 0.258 nan 8.280 nan 0.000 0.602 1151 A N 0.770 123.660 122.820 0.116 0.000 2.121 1151 A HA -0.137 4.183 4.320 0.001 0.000 0.218 1151 A C 1.309 179.006 177.584 0.189 0.000 1.154 1151 A CA 0.287 52.395 52.037 0.118 0.000 0.679 1151 A CB -0.303 18.720 19.000 0.038 0.000 0.795 1151 A HN 0.328 nan 8.150 nan 0.000 0.458 1152 N N 0.342 119.129 118.700 0.145 0.000 2.468 1152 N HA 0.314 5.054 4.740 0.001 0.000 0.265 1152 N C 0.910 176.478 175.510 0.097 0.000 1.199 1152 N CA 1.312 54.434 53.050 0.119 0.000 0.928 1152 N CB 0.216 38.740 38.487 0.062 0.000 1.059 1152 N HN 0.667 nan 8.380 nan 0.000 0.467 1153 G N 2.240 111.092 108.800 0.086 0.000 2.141 1153 G HA2 -0.280 3.681 3.960 0.001 0.000 0.242 1153 G HA3 -0.280 3.681 3.960 0.001 0.000 0.242 1153 G C 0.670 175.638 174.900 0.113 0.000 0.982 1153 G CA 0.644 45.786 45.100 0.069 0.000 0.662 1153 G HN 0.850 nan 8.290 nan 0.000 0.527 1154 T N -1.402 113.236 114.554 0.140 0.000 3.284 1154 T HA 0.311 4.662 4.350 0.001 0.000 0.252 1154 T C 2.127 176.901 174.700 0.123 0.000 1.144 1154 T CA 0.763 62.955 62.100 0.152 0.000 1.021 1154 T CB 0.141 69.103 68.868 0.157 0.000 0.984 1154 T HN 0.589 nan 8.240 nan 0.000 0.545 1155 I N 0.679 121.305 120.570 0.094 0.000 2.567 1155 I HA -0.081 4.089 4.170 0.001 0.000 0.257 1155 I C 0.974 177.139 176.117 0.080 0.000 1.184 1155 I CA 0.609 61.943 61.300 0.057 0.000 1.451 1155 I CB -0.183 37.828 38.000 0.018 0.000 1.089 1155 I HN 0.301 nan 8.210 nan 0.000 0.441 1156 H N 1.451 120.525 119.070 0.007 0.000 2.929 1156 H HA -0.016 4.540 4.556 0.001 0.000 0.317 1156 H C 0.946 176.263 175.328 -0.018 0.000 1.031 1156 H CA 0.262 56.304 56.048 -0.011 0.000 1.466 1156 H CB 0.466 30.233 29.762 0.008 0.000 1.482 1156 H HN 0.207 nan 8.280 nan 0.000 0.561 1157 D N 4.311 124.502 120.400 -0.348 0.000 2.149 1157 D HA -0.060 4.580 4.640 0.001 0.000 0.201 1157 D C 0.074 176.186 176.300 -0.313 0.000 0.972 1157 D CA 1.201 55.038 54.000 -0.272 0.000 0.835 1157 D CB 0.331 40.973 40.800 -0.263 0.000 0.966 1157 D HN 0.500 nan 8.370 nan 0.000 0.476 1158 R N -0.014 120.134 120.500 -0.588 0.000 2.483 1158 R HA 0.459 4.800 4.340 0.001 0.000 0.303 1158 R C -0.578 175.588 176.300 -0.223 0.000 0.987 1158 R CA -0.357 55.424 56.100 -0.531 0.000 0.881 1158 R CB 2.195 31.768 30.300 -1.212 0.000 1.177 1158 R HN -0.024 nan 8.270 nan 0.000 0.451 1159 S N 1.052 116.756 115.700 0.006 0.000 2.671 1159 S HA 0.523 4.994 4.470 0.001 0.000 0.277 1159 S C -2.489 171.996 174.600 -0.192 0.000 1.165 1159 S CA -1.354 56.782 58.200 -0.106 0.000 0.822 1159 S CB 2.131 65.257 63.200 -0.123 0.000 1.150 1159 S HN 0.257 nan 8.310 nan 0.000 0.479 1160 P HA 0.276 nan 4.420 nan 0.000 0.249 1160 P C -0.044 176.987 177.300 -0.449 0.000 1.241 1160 P CA 0.402 63.190 63.100 -0.521 0.000 0.781 1160 P CB -0.440 30.948 31.700 -0.521 0.000 1.088 1161 F N -1.422 118.583 119.950 0.090 0.000 2.678 1161 F HA 0.262 4.790 4.527 0.001 0.000 0.305 1161 F C 1.300 177.126 175.800 0.044 0.000 1.090 1161 F CA -0.691 57.336 58.000 0.044 0.000 1.272 1161 F CB 0.175 39.189 39.000 0.023 0.000 1.060 1161 F HN -0.322 nan 8.300 nan 0.000 0.576 1162 R N 1.567 122.154 120.500 0.144 0.000 2.500 1162 R HA 0.782 5.122 4.340 0.001 0.000 0.275 1162 R C -0.468 175.871 176.300 0.065 0.000 1.051 1162 R CA -0.380 55.794 56.100 0.124 0.000 1.088 1162 R CB 1.313 31.711 30.300 0.164 0.000 1.063 1162 R HN 0.128 nan 8.270 nan 0.000 0.511 1163 A N 1.725 124.571 122.820 0.044 0.000 2.589 1163 A HA 0.313 4.633 4.320 0.001 0.000 0.296 1163 A C -1.535 176.053 177.584 0.007 0.000 1.062 1163 A CA -0.791 51.245 52.037 -0.002 0.000 0.686 1163 A CB 1.312 20.294 19.000 -0.029 0.000 1.282 1163 A HN 0.538 nan 8.150 nan 0.000 0.404 1164 L N 2.880 124.096 121.223 -0.011 0.000 2.410 1164 L HA 0.648 4.988 4.340 0.001 0.000 0.273 1164 L C -0.190 176.675 176.870 -0.008 0.000 1.152 1164 L CA 0.403 55.262 54.840 0.031 0.000 0.855 1164 L CB -0.036 42.049 42.059 0.043 0.000 1.129 1164 L HN 0.573 nan 8.230 nan 0.000 0.463 1165 I N 1.845 122.431 120.570 0.027 0.000 2.730 1165 I HA 0.795 4.966 4.170 0.001 0.000 0.298 1165 I C -0.596 175.477 176.117 -0.074 0.000 1.089 1165 I CA -0.618 60.676 61.300 -0.009 0.000 1.041 1165 I CB 2.219 40.234 38.000 0.026 0.000 1.235 1165 I HN 0.635 nan 8.210 nan 0.000 0.423 1166 S N 3.363 118.908 115.700 -0.258 0.000 2.542 1166 S HA 0.868 5.339 4.470 0.001 0.000 0.293 1166 S C -1.238 173.215 174.600 -0.246 0.000 1.089 1166 S CA -0.595 57.144 58.200 -0.769 0.000 0.961 1166 S CB 1.382 63.707 63.200 -1.458 0.000 1.062 1166 S HN 1.003 nan 8.310 nan 0.000 0.483 1167 W N 0.264 121.232 121.300 -0.553 0.000 3.075 1167 W HA 0.658 5.319 4.660 0.001 0.000 0.334 1167 W C -0.835 175.506 176.519 -0.297 0.000 1.243 1167 W CA -0.999 56.139 57.345 -0.345 0.000 1.170 1167 W CB 0.484 29.788 29.460 -0.260 0.000 1.452 1167 W HN 0.832 nan 8.180 nan 0.000 0.572 1168 E N 3.063 123.251 120.200 -0.020 0.000 2.480 1168 E HA -0.021 4.330 4.350 0.001 0.000 0.258 1168 E C 0.179 176.720 176.600 -0.099 0.000 0.984 1168 E CA -0.354 55.996 56.400 -0.084 0.000 0.930 1168 E CB 0.567 30.258 29.700 -0.015 0.000 0.936 1168 E HN 0.669 nan 8.360 nan 0.000 0.466 1169 M N 5.267 124.752 119.600 -0.191 0.000 2.290 1169 M HA -0.007 4.474 4.480 0.001 0.000 0.356 1169 M C 0.873 177.141 176.300 -0.054 0.000 1.448 1169 M CA 1.854 57.040 55.300 -0.191 0.000 0.993 1169 M CB -0.108 32.394 32.600 -0.163 0.000 1.934 1169 M HN 0.904 nan 8.290 nan 0.000 0.461 1170 G N 3.008 111.806 108.800 -0.003 0.000 2.376 1170 G HA2 -0.203 3.758 3.960 0.001 0.000 0.208 1170 G HA3 -0.203 3.758 3.960 0.001 0.000 0.208 1170 G C -0.023 174.941 174.900 0.107 0.000 1.032 1170 G CA -0.093 45.034 45.100 0.045 0.000 0.641 1170 G HN 0.660 nan 8.290 nan 0.000 0.503 1171 Q N 1.027 120.926 119.800 0.164 0.000 2.454 1171 Q HA 0.572 4.913 4.340 0.001 0.000 0.247 1171 Q C 0.579 176.662 176.000 0.138 0.000 1.028 1171 Q CA 0.235 56.121 55.803 0.138 0.000 0.910 1171 Q CB 0.993 29.806 28.738 0.124 0.000 1.276 1171 Q HN 0.825 nan 8.270 nan 0.000 0.489 1172 A N 2.625 125.407 122.820 -0.063 0.000 2.302 1172 A HA 0.444 4.765 4.320 0.001 0.000 0.285 1172 A C -2.214 174.995 177.584 -0.626 0.000 1.105 1172 A CA -1.555 50.344 52.037 -0.231 0.000 0.816 1172 A CB 0.145 19.052 19.000 -0.154 0.000 1.067 1172 A HN 0.470 nan 8.150 nan 0.000 0.489 1173 P HA 0.150 nan 4.420 nan 0.000 0.279 1173 P C -0.253 176.649 177.300 -0.664 0.000 1.318 1173 P CA 0.238 62.587 63.100 -1.251 0.000 0.819 1173 P CB 0.705 31.428 31.700 -1.628 0.000 0.927 1174 S N 3.962 119.354 115.700 -0.514 0.000 2.747 1174 S HA 0.613 5.084 4.470 0.001 0.000 0.300 1174 S C -2.061 172.251 174.600 -0.481 0.000 1.121 1174 S CA -1.770 56.166 58.200 -0.439 0.000 0.995 1174 S CB 1.195 64.194 63.200 -0.334 0.000 1.113 1174 S HN 0.059 nan 8.310 nan 0.000 0.547 1175 P HA 0.139 nan 4.420 nan 0.000 0.242 1175 P C -0.070 176.985 177.300 -0.410 0.000 1.197 1175 P CA 0.778 63.548 63.100 -0.549 0.000 0.765 1175 P CB -0.369 30.955 31.700 -0.626 0.000 0.936 1176 Y N -0.797 119.445 120.300 -0.096 0.000 2.442 1176 Y HA 0.184 4.734 4.550 0.001 0.000 0.250 1176 Y C 1.635 177.490 175.900 -0.075 0.000 1.113 1176 Y CA -0.299 57.755 58.100 -0.076 0.000 1.273 1176 Y CB -0.143 38.281 38.460 -0.059 0.000 1.138 1176 Y HN 0.050 nan 8.280 nan 0.000 0.522 1177 N N -0.028 118.661 118.700 -0.017 0.000 2.197 1177 N HA 0.035 4.775 4.740 0.001 0.000 0.228 1177 N C -0.495 174.992 175.510 -0.040 0.000 1.212 1177 N CA 0.114 53.151 53.050 -0.021 0.000 0.883 1177 N CB -0.115 38.358 38.487 -0.025 0.000 1.107 1177 N HN 0.054 nan 8.380 nan 0.000 0.519 1178 T N -1.672 112.834 114.554 -0.080 0.000 2.823 1178 T HA 0.454 4.804 4.350 0.001 0.000 0.279 1178 T C -0.284 174.376 174.700 -0.067 0.000 0.998 1178 T CA -0.906 61.156 62.100 -0.063 0.000 0.994 1178 T CB 2.448 71.232 68.868 -0.140 0.000 0.960 1178 T HN 0.147 nan 8.240 nan 0.000 0.448 1179 R N 2.122 122.578 120.500 -0.074 0.000 2.297 1179 R HA 0.529 4.870 4.340 0.001 0.000 0.308 1179 R C -1.004 175.222 176.300 -0.124 0.000 1.029 1179 R CA -0.645 55.394 56.100 -0.102 0.000 0.929 1179 R CB 0.836 31.065 30.300 -0.119 0.000 1.046 1179 R HN 0.591 nan 8.270 nan 0.000 0.461 1180 V N 5.609 125.443 119.914 -0.133 0.000 2.408 1180 V HA 0.048 4.168 4.120 0.001 0.000 0.267 1180 V C 0.922 176.858 176.094 -0.263 0.000 1.047 1180 V CA -0.045 62.156 62.300 -0.165 0.000 0.937 1180 V CB 1.284 33.019 31.823 -0.148 0.000 0.999 1180 V HN 0.890 nan 8.190 nan 0.000 0.472 1181 E N 2.931 122.969 120.200 -0.269 0.000 2.170 1181 E HA 0.042 4.392 4.350 0.001 0.000 0.191 1181 E C 0.495 176.620 176.600 -0.792 0.000 0.981 1181 E CA 1.002 57.179 56.400 -0.372 0.000 0.830 1181 E CB 0.369 29.985 29.700 -0.140 0.000 0.775 1181 E HN 0.924 nan 8.360 nan 0.000 0.470 1182 c N -1.324 116.910 118.600 -0.612 0.000 3.034 1182 c HA 0.460 5.031 4.570 0.001 0.000 0.336 1182 c C -1.227 172.718 174.090 -0.241 0.000 1.304 1182 c CA -1.395 54.543 56.329 -0.652 0.000 1.197 1182 c CB 0.539 42.697 42.510 -0.586 0.000 1.373 1182 c HN 0.015 nan 8.230 nan 0.000 0.459 1183 I N 2.293 122.808 120.570 -0.092 0.000 2.378 1183 I HA 0.839 5.009 4.170 0.001 0.000 0.291 1183 I C 0.781 176.830 176.117 -0.113 0.000 0.992 1183 I CA 0.982 62.246 61.300 -0.061 0.000 1.154 1183 I CB 0.561 38.558 38.000 -0.006 0.000 1.315 1183 I HN 1.563 nan 8.210 nan 0.000 0.448 1184 G N 6.270 114.985 108.800 -0.143 0.000 2.345 1184 G HA2 0.117 4.077 3.960 0.001 0.000 0.285 1184 G HA3 0.117 4.077 3.960 0.001 0.000 0.285 1184 G C -1.197 173.600 174.900 -0.172 0.000 1.297 1184 G CA -0.471 44.431 45.100 -0.330 0.000 0.875 1184 G HN 0.636 nan 8.290 nan 0.000 0.506 1185 W N -0.167 121.132 121.300 -0.001 0.000 2.252 1185 W HA 0.645 5.305 4.660 0.001 0.000 0.338 1185 W C -0.069 176.458 176.519 0.013 0.000 0.914 1185 W CA 0.055 57.398 57.345 -0.003 0.000 1.754 1185 W CB 0.395 29.832 29.460 -0.038 0.000 1.135 1185 W HN 0.916 nan 8.180 nan 0.000 0.531 1186 S N 1.863 117.675 115.700 0.186 0.000 2.543 1186 S HA 0.592 5.062 4.470 0.001 0.000 0.273 1186 S C -0.753 173.880 174.600 0.055 0.000 1.152 1186 S CA 0.037 58.359 58.200 0.202 0.000 0.910 1186 S CB 1.629 64.996 63.200 0.279 0.000 1.105 1186 S HN 0.285 nan 8.310 nan 0.000 0.465 1187 S N 2.088 117.838 115.700 0.085 0.000 2.656 1187 S HA 0.885 5.355 4.470 0.001 0.000 0.273 1187 S C -0.730 173.865 174.600 -0.009 0.000 1.168 1187 S CA -0.328 57.903 58.200 0.051 0.000 0.817 1187 S CB 1.610 64.882 63.200 0.120 0.000 1.146 1187 S HN 1.051 nan 8.310 nan 0.000 0.475 1188 T N -0.278 114.262 114.554 -0.024 0.000 2.792 1188 T HA 0.780 5.130 4.350 0.001 0.000 0.303 1188 T C -1.593 173.079 174.700 -0.046 0.000 1.310 1188 T CA -0.097 61.928 62.100 -0.126 0.000 1.007 1188 T CB 1.464 70.257 68.868 -0.126 0.000 1.335 1188 T HN 1.368 nan 8.240 nan 0.000 0.504 1189 S N -0.196 115.451 115.700 -0.088 0.000 2.552 1189 S HA 0.745 5.215 4.470 0.001 0.000 0.272 1189 S C -1.504 173.050 174.600 -0.076 0.000 1.150 1189 S CA -0.245 57.898 58.200 -0.095 0.000 0.849 1189 S CB 0.358 63.405 63.200 -0.254 0.000 1.113 1189 S HN 1.493 nan 8.310 nan 0.000 0.458 1190 c N 2.292 120.894 118.600 0.004 0.000 3.307 1190 c HA 0.690 5.261 4.570 0.001 0.000 0.333 1190 c C -1.219 172.986 174.090 0.192 0.000 1.291 1190 c CA -0.868 55.524 56.329 0.105 0.000 1.273 1190 c CB 0.939 43.514 42.510 0.107 0.000 1.580 1190 c HN 0.998 nan 8.230 nan 0.000 0.481 1191 H N 1.407 120.592 119.070 0.191 0.000 2.459 1191 H HA 0.383 4.940 4.556 0.001 0.000 0.332 1191 H C -0.249 175.285 175.328 0.342 0.000 1.094 1191 H CA 0.379 56.544 56.048 0.196 0.000 1.224 1191 H CB 2.078 31.873 29.762 0.056 0.000 1.449 1191 H HN 0.961 nan 8.280 nan 0.000 0.484 1192 D N 2.152 122.732 120.400 0.300 0.000 2.340 1192 D HA 0.131 4.771 4.640 0.001 0.000 0.217 1192 D C 1.412 178.104 176.300 0.653 0.000 1.081 1192 D CA 0.606 54.871 54.000 0.443 0.000 0.842 1192 D CB 0.516 41.535 40.800 0.365 0.000 0.934 1192 D HN 0.874 nan 8.370 nan 0.000 0.511 1193 G N 0.033 109.325 108.800 0.820 0.000 2.376 1193 G HA2 -0.291 3.669 3.960 0.001 0.000 0.208 1193 G HA3 -0.291 3.669 3.960 0.001 0.000 0.208 1193 G C 1.022 176.189 174.900 0.445 0.000 1.032 1193 G CA 0.360 45.897 45.100 0.727 0.000 0.641 1193 G HN 0.176 nan 8.290 nan 0.000 0.503 1194 M N 0.361 120.112 119.600 0.252 0.000 2.556 1194 M HA 0.395 4.875 4.480 0.001 0.000 0.259 1194 M C 0.908 177.124 176.300 -0.140 0.000 1.175 1194 M CA 1.398 56.725 55.300 0.044 0.000 1.202 1194 M CB -0.347 32.209 32.600 -0.073 0.000 1.298 1194 M HN 0.222 nan 8.290 nan 0.000 0.492 1195 S N -0.679 114.737 115.700 -0.473 0.000 2.607 1195 S HA 0.518 4.989 4.470 0.001 0.000 0.273 1195 S C -0.695 173.346 174.600 -0.931 0.000 1.148 1195 S CA -0.867 56.871 58.200 -0.771 0.000 0.833 1195 S CB 3.100 65.743 63.200 -0.928 0.000 1.130 1195 S HN 0.249 nan 8.310 nan 0.000 0.470 1196 R N 1.545 121.700 120.500 -0.574 0.000 2.254 1196 R HA 0.512 4.852 4.340 0.001 0.000 0.318 1196 R C -0.521 175.746 176.300 -0.055 0.000 1.031 1196 R CA -0.263 55.726 56.100 -0.185 0.000 0.905 1196 R CB 0.587 30.913 30.300 0.044 0.000 1.050 1196 R HN 0.747 nan 8.270 nan 0.000 0.456 1197 M N 3.368 123.027 119.600 0.099 0.000 2.264 1197 M HA 0.326 4.807 4.480 0.001 0.000 0.352 1197 M C -1.296 175.046 176.300 0.070 0.000 1.173 1197 M CA 0.016 55.418 55.300 0.170 0.000 1.075 1197 M CB 1.631 34.322 32.600 0.151 0.000 1.621 1197 M HN 0.594 nan 8.290 nan 0.000 0.457 1198 S N 5.274 121.027 115.700 0.088 0.000 2.541 1198 S HA 0.726 5.197 4.470 0.001 0.000 0.280 1198 S C -1.062 173.574 174.600 0.059 0.000 1.112 1198 S CA -0.704 57.517 58.200 0.037 0.000 0.925 1198 S CB 1.665 64.867 63.200 0.003 0.000 1.067 1198 S HN 0.718 nan 8.310 nan 0.000 0.479 1199 I N 1.455 122.029 120.570 0.007 0.000 2.582 1199 I HA 0.541 4.712 4.170 0.001 0.000 0.292 1199 I C -1.080 175.038 176.117 0.002 0.000 1.066 1199 I CA -0.509 60.797 61.300 0.010 0.000 1.053 1199 I CB 1.971 39.923 38.000 -0.080 0.000 1.241 1199 I HN 0.516 nan 8.210 nan 0.000 0.421 1200 c N 5.704 124.307 118.600 0.005 0.000 2.609 1200 c HA 0.638 5.208 4.570 0.001 0.000 0.313 1200 c C -0.199 173.782 174.090 -0.180 0.000 1.175 1200 c CA -0.566 55.714 56.329 -0.082 0.000 1.434 1200 c CB 1.702 44.161 42.510 -0.084 0.000 2.005 1200 c HN 0.617 nan 8.230 nan 0.000 0.471 1201 M N 2.898 122.283 119.600 -0.360 0.000 2.367 1201 M HA 0.675 5.156 4.480 0.001 0.000 0.339 1201 M C 0.326 175.970 176.300 -1.093 0.000 1.177 1201 M CA 0.465 55.409 55.300 -0.594 0.000 1.068 1201 M CB 1.667 33.910 32.600 -0.594 0.000 1.602 1201 M HN 0.851 nan 8.290 nan 0.000 0.457 1202 S N 0.504 115.653 115.700 -0.918 0.000 2.656 1202 S HA 1.013 5.483 4.470 0.001 0.000 0.273 1202 S C -0.387 174.054 174.600 -0.265 0.000 1.168 1202 S CA -0.129 57.519 58.200 -0.921 0.000 0.817 1202 S CB 1.603 64.530 63.200 -0.454 0.000 1.146 1202 S HN 1.616 nan 8.310 nan 0.000 0.475 1203 G N 0.485 109.356 108.800 0.117 0.000 2.384 1203 G HA2 0.229 4.190 3.960 0.001 0.000 0.668 1203 G HA3 0.229 4.190 3.960 0.001 0.000 0.668 1203 G C -3.439 171.658 174.900 0.330 0.000 1.280 1203 G CA -0.331 44.883 45.100 0.190 0.000 0.992 1203 G HN 0.825 nan 8.290 nan 0.000 0.512 1204 P HA 0.250 nan 4.420 nan 0.000 0.274 1204 P C 0.489 177.839 177.300 0.083 0.000 1.246 1204 P CA -0.394 62.766 63.100 0.100 0.000 0.795 1204 P CB 0.621 32.352 31.700 0.052 0.000 1.006 1205 N N 1.425 120.120 118.700 -0.009 0.000 2.149 1205 N HA -0.167 4.574 4.740 0.001 0.000 0.188 1205 N C 1.168 176.669 175.510 -0.015 0.000 1.019 1205 N CA 1.481 54.501 53.050 -0.049 0.000 0.857 1205 N CB -0.890 37.536 38.487 -0.101 0.000 0.997 1205 N HN 0.572 nan 8.380 nan 0.000 0.426 1206 N N -0.470 118.226 118.700 -0.007 0.000 2.383 1206 N HA 0.005 4.746 4.740 0.001 0.000 0.192 1206 N C -0.169 175.341 175.510 0.000 0.000 1.141 1206 N CA 0.281 53.326 53.050 -0.009 0.000 0.851 1206 N CB 0.041 38.524 38.487 -0.008 0.000 0.976 1206 N HN -0.029 nan 8.380 nan 0.000 0.465 1207 N N -0.473 118.239 118.700 0.020 0.000 2.498 1207 N HA 0.245 4.985 4.740 0.001 0.000 0.272 1207 N C -1.100 174.432 175.510 0.037 0.000 1.534 1207 N CA -0.139 52.922 53.050 0.020 0.000 0.873 1207 N CB 0.873 39.373 38.487 0.022 0.000 1.415 1207 N HN 0.342 nan 8.380 nan 0.000 0.496 1208 A N 0.404 123.261 122.820 0.062 0.000 2.327 1208 A HA 0.710 5.030 4.320 0.001 0.000 0.255 1208 A C 0.463 178.031 177.584 -0.027 0.000 1.099 1208 A CA 0.088 52.175 52.037 0.083 0.000 0.801 1208 A CB 0.322 19.473 19.000 0.251 0.000 1.062 1208 A HN 0.344 nan 8.150 nan 0.000 0.496 1209 S N -1.134 114.518 115.700 -0.079 0.000 2.579 1209 S HA 0.782 5.252 4.470 0.001 0.000 0.272 1209 S C -0.548 173.980 174.600 -0.120 0.000 1.141 1209 S CA -0.179 57.974 58.200 -0.079 0.000 0.843 1209 S CB 1.397 64.574 63.200 -0.038 0.000 1.122 1209 S HN 1.977 nan 8.310 nan 0.000 0.468 1210 A N 0.888 123.670 122.820 -0.062 0.000 2.312 1210 A HA 0.825 5.145 4.320 0.001 0.000 0.328 1210 A C -0.782 176.800 177.584 -0.004 0.000 1.158 1210 A CA -0.841 51.170 52.037 -0.044 0.000 0.821 1210 A CB 1.049 20.057 19.000 0.012 0.000 1.170 1210 A HN 1.043 nan 8.150 nan 0.000 0.490 1211 V N 2.525 122.454 119.914 0.025 0.000 2.444 1211 V HA 0.389 4.509 4.120 0.001 0.000 0.294 1211 V C -0.504 175.646 176.094 0.092 0.000 1.022 1211 V CA -0.468 61.852 62.300 0.033 0.000 0.850 1211 V CB 1.580 33.459 31.823 0.093 0.000 0.992 1211 V HN 0.648 nan 8.190 nan 0.000 0.426 1212 V N 4.437 124.336 119.914 -0.026 0.000 2.398 1212 V HA 0.477 4.598 4.120 0.001 0.000 0.286 1212 V C -0.748 175.334 176.094 -0.019 0.000 1.026 1212 V CA -0.597 61.683 62.300 -0.032 0.000 0.868 1212 V CB 1.400 33.093 31.823 -0.217 0.000 0.982 1212 V HN 0.857 nan 8.190 nan 0.000 0.443 1213 W N 3.864 125.127 121.300 -0.061 0.000 2.578 1213 W HA 0.688 5.348 4.660 0.001 0.000 0.346 1213 W C -0.635 175.940 176.519 0.092 0.000 1.075 1213 W CA -0.903 56.447 57.345 0.009 0.000 1.233 1213 W CB 1.092 30.551 29.460 -0.001 0.000 1.358 1213 W HN 0.538 nan 8.180 nan 0.000 0.574 1214 Y N 0.223 120.623 120.300 0.167 0.000 2.401 1214 Y HA 0.447 4.997 4.550 0.001 0.000 0.330 1214 Y C 0.772 176.729 175.900 0.096 0.000 1.071 1214 Y CA -0.348 57.806 58.100 0.090 0.000 1.049 1214 Y CB 1.989 40.473 38.460 0.040 0.000 1.239 1214 Y HN 0.776 nan 8.280 nan 0.000 0.437 1215 G N 3.147 111.697 108.800 -0.417 0.000 2.258 1215 G HA2 -0.053 3.907 3.960 0.001 0.000 0.274 1215 G HA3 -0.053 3.907 3.960 0.001 0.000 0.274 1215 G C 1.008 175.887 174.900 -0.035 0.000 1.021 1215 G CA 0.906 45.828 45.100 -0.297 0.000 0.798 1215 G HN 2.172 nan 8.290 nan 0.000 0.507 1216 G N -1.911 106.942 108.800 0.089 0.000 2.162 1216 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 1216 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 1216 G C 0.312 175.459 174.900 0.412 0.000 0.976 1216 G CA 1.074 46.302 45.100 0.213 0.000 0.655 1216 G HN 1.048 nan 8.290 nan 0.000 0.533 1217 R N 0.564 121.262 120.500 0.329 0.000 2.670 1217 R HA 0.521 4.862 4.340 0.001 0.000 0.289 1217 R C -2.653 173.560 176.300 -0.145 0.000 0.965 1217 R CA -2.030 54.150 56.100 0.132 0.000 0.899 1217 R CB 2.404 32.735 30.300 0.051 0.000 1.173 1217 R HN 0.069 nan 8.270 nan 0.000 0.456 1218 P HA 0.114 nan 4.420 nan 0.000 0.281 1218 P C -0.097 176.947 177.300 -0.427 0.000 1.252 1218 P CA -0.067 62.412 63.100 -1.036 0.000 0.778 1218 P CB 0.984 31.897 31.700 -1.311 0.000 0.895 1219 I N 1.056 121.453 120.570 -0.288 0.000 3.718 1219 I HA 0.174 4.345 4.170 0.001 0.000 0.297 1219 I C 0.776 176.835 176.117 -0.096 0.000 1.220 1219 I CA 0.910 62.136 61.300 -0.122 0.000 1.381 1219 I CB -0.304 37.674 38.000 -0.036 0.000 1.238 1219 I HN 0.260 nan 8.210 nan 0.000 0.448 1220 T N 1.528 116.021 114.554 -0.102 0.000 2.932 1220 T HA 0.502 4.852 4.350 0.001 0.000 0.318 1220 T C -1.060 173.621 174.700 -0.031 0.000 1.265 1220 T CA -0.535 61.551 62.100 -0.023 0.000 1.036 1220 T CB 2.882 71.797 68.868 0.079 0.000 1.209 1220 T HN -0.089 nan 8.240 nan 0.000 0.484 1221 E N 1.274 121.475 120.200 0.001 0.000 2.256 1221 E HA 0.737 5.087 4.350 0.001 0.000 0.267 1221 E C -0.974 175.662 176.600 0.061 0.000 0.892 1221 E CA -0.627 55.779 56.400 0.009 0.000 0.775 1221 E CB 2.050 31.739 29.700 -0.018 0.000 1.207 1221 E HN 0.454 nan 8.360 nan 0.000 0.420 1222 I N 3.061 123.678 120.570 0.077 0.000 2.468 1222 I HA 0.332 4.503 4.170 0.001 0.000 0.284 1222 I C -2.376 173.796 176.117 0.091 0.000 1.038 1222 I CA -2.232 59.144 61.300 0.127 0.000 1.083 1222 I CB 1.976 40.104 38.000 0.213 0.000 1.223 1222 I HN 0.303 nan 8.210 nan 0.000 0.443 1223 P HA 0.102 nan 4.420 nan 0.000 0.276 1223 P C -0.127 177.195 177.300 0.038 0.000 1.244 1223 P CA -0.337 62.793 63.100 0.050 0.000 0.801 1223 P CB 1.200 32.934 31.700 0.056 0.000 1.006 1224 S N 1.097 116.756 115.700 -0.069 0.000 2.558 1224 S HA -0.006 4.464 4.470 0.001 0.000 0.291 1224 S C 0.504 175.062 174.600 -0.070 0.000 1.306 1224 S CA -0.218 57.848 58.200 -0.224 0.000 1.056 1224 S CB -0.276 62.822 63.200 -0.171 0.000 0.836 1224 S HN 0.599 nan 8.310 nan 0.000 0.504 1225 W N 2.889 124.201 121.300 0.022 0.000 3.058 1225 W HA 0.641 5.302 4.660 0.001 0.000 0.306 1225 W C 0.975 177.501 176.519 0.010 0.000 1.188 1225 W CA 0.025 57.377 57.345 0.013 0.000 1.651 1225 W CB -0.317 29.147 29.460 0.007 0.000 1.051 1225 W HN 0.665 nan 8.180 nan 0.000 0.592 1226 A N 0.613 123.391 122.820 -0.071 0.000 2.551 1226 A HA 0.598 4.919 4.320 0.001 0.000 0.252 1226 A C 1.726 179.285 177.584 -0.042 0.000 1.199 1226 A CA 0.283 52.331 52.037 0.019 0.000 0.972 1226 A CB -0.550 18.482 19.000 0.054 0.000 1.153 1226 A HN 0.792 nan 8.150 nan 0.000 0.559 1227 G N 0.253 109.005 108.800 -0.079 0.000 2.225 1227 G HA2 -0.260 3.700 3.960 0.001 0.000 0.267 1227 G HA3 -0.260 3.700 3.960 0.001 0.000 0.267 1227 G C -0.111 174.755 174.900 -0.056 0.000 1.024 1227 G CA 0.511 45.581 45.100 -0.051 0.000 0.784 1227 G HN 0.680 nan 8.290 nan 0.000 0.507 1228 N N -0.057 118.591 118.700 -0.087 0.000 2.722 1228 N HA 0.334 5.075 4.740 0.001 0.000 0.242 1228 N C 0.681 176.144 175.510 -0.079 0.000 1.398 1228 N CA -0.324 52.682 53.050 -0.072 0.000 0.755 1228 N CB -0.303 38.149 38.487 -0.059 0.000 1.268 1228 N HN 0.715 nan 8.380 nan 0.000 0.522 1229 I N 0.610 121.148 120.570 -0.053 0.000 6.835 1229 I HA -0.326 3.845 4.170 0.001 0.000 0.126 1229 I C -0.048 176.091 176.117 0.038 0.000 1.824 1229 I CA -0.008 61.288 61.300 -0.007 0.000 2.065 1229 I CB -0.843 37.087 38.000 -0.117 0.000 3.539 1229 I HN 0.343 nan 8.210 nan 0.000 0.178 1230 L N 4.979 126.182 121.223 -0.033 0.000 2.706 1230 L HA 0.033 4.374 4.340 0.001 0.000 0.282 1230 L C 0.954 177.859 176.870 0.059 0.000 1.219 1230 L CA 1.252 55.997 54.840 -0.158 0.000 0.935 1230 L CB 0.025 41.899 42.059 -0.307 0.000 1.204 1230 L HN 0.510 nan 8.230 nan 0.000 0.491 1231 R N 2.395 122.913 120.500 0.030 0.000 2.781 1231 R HA 0.781 5.121 4.340 0.001 0.000 0.269 1231 R C -0.809 175.533 176.300 0.069 0.000 1.025 1231 R CA -0.714 55.460 56.100 0.124 0.000 0.914 1231 R CB 1.544 31.944 30.300 0.166 0.000 1.236 1231 R HN 0.502 nan 8.270 nan 0.000 0.465 1232 T N -1.522 113.077 114.554 0.074 0.000 2.564 1232 T HA 0.151 4.502 4.350 0.001 0.000 0.265 1232 T C 0.360 175.074 174.700 0.023 0.000 0.908 1232 T CA -0.346 61.781 62.100 0.044 0.000 1.166 1232 T CB 1.299 70.188 68.868 0.036 0.000 1.497 1232 T HN 0.646 nan 8.240 nan 0.000 0.484 1233 Q N 0.192 119.978 119.800 -0.023 0.000 2.084 1233 Q HA -0.039 4.302 4.340 0.001 0.000 0.202 1233 Q C -0.062 175.898 176.000 -0.066 0.000 0.978 1233 Q CA 1.478 57.245 55.803 -0.061 0.000 0.844 1233 Q CB 0.014 28.689 28.738 -0.105 0.000 0.898 1233 Q HN 0.617 nan 8.270 nan 0.000 0.426 1234 E N -0.324 119.817 120.200 -0.098 0.000 2.971 1234 E HA -0.182 4.168 4.350 0.001 0.000 0.278 1234 E C -0.397 175.974 176.600 -0.381 0.000 1.009 1234 E CA 1.193 57.542 56.400 -0.084 0.000 0.862 1234 E CB -2.210 27.613 29.700 0.206 0.000 1.436 1234 E HN 0.480 nan 8.360 nan 0.000 0.434 1235 S N -1.642 113.639 115.700 -0.699 0.000 2.727 1235 S HA 0.477 4.947 4.470 0.001 0.000 0.278 1235 S C -0.277 173.873 174.600 -0.750 0.000 1.186 1235 S CA -0.665 56.980 58.200 -0.925 0.000 0.836 1235 S CB 1.925 65.086 63.200 -0.065 0.000 1.186 1235 S HN 0.227 nan 8.310 nan 0.000 0.499 1236 E N -0.059 119.954 120.200 -0.311 0.000 2.398 1236 E HA 0.438 4.789 4.350 0.001 0.000 0.263 1236 E C 0.467 177.047 176.600 -0.033 0.000 1.046 1236 E CA -0.830 55.512 56.400 -0.097 0.000 0.908 1236 E CB 0.215 29.986 29.700 0.118 0.000 0.963 1236 E HN 0.838 nan 8.360 nan 0.000 0.431 1237 c N 1.469 120.058 118.600 -0.018 0.000 2.478 1237 c HA 0.838 5.409 4.570 0.001 0.000 0.379 1237 c C 0.029 174.147 174.090 0.046 0.000 1.470 1237 c CA -0.847 55.484 56.329 0.004 0.000 2.066 1237 c CB 0.029 42.534 42.510 -0.008 0.000 2.001 1237 c HN 0.610 nan 8.230 nan 0.000 0.550 1238 V N -0.791 119.129 119.914 0.009 0.000 2.971 1238 V HA 0.609 4.730 4.120 0.001 0.000 0.309 1238 V C -0.474 175.587 176.094 -0.055 0.000 1.130 1238 V CA -0.230 62.036 62.300 -0.056 0.000 0.964 1238 V CB 1.159 32.926 31.823 -0.093 0.000 1.029 1238 V HN 1.205 nan 8.190 nan 0.000 0.427 1239 c N 2.472 121.018 118.600 -0.091 0.000 2.802 1239 c HA 0.770 5.341 4.570 0.001 0.000 0.307 1239 c C -0.629 173.463 174.090 0.004 0.000 1.222 1239 c CA -0.501 55.823 56.329 -0.007 0.000 1.580 1239 c CB 1.579 44.123 42.510 0.057 0.000 2.119 1239 c HN 1.057 nan 8.230 nan 0.000 0.479 1240 H N 1.339 120.360 119.070 -0.082 0.000 3.096 1240 H HA 0.229 4.786 4.556 0.001 0.000 0.335 1240 H C -0.500 174.779 175.328 -0.082 0.000 0.990 1240 H CA -0.185 55.824 56.048 -0.065 0.000 1.393 1240 H CB 0.664 30.397 29.762 -0.047 0.000 1.742 1240 H HN 0.898 nan 8.280 nan 0.000 0.501 1241 K N 3.309 123.440 120.400 -0.449 0.000 3.071 1241 K HA -0.233 4.087 4.320 0.001 0.000 0.265 1241 K C 0.858 177.105 176.600 -0.588 0.000 1.060 1241 K CA 0.954 57.008 56.287 -0.388 0.000 0.767 1241 K CB -1.452 30.803 32.500 -0.408 0.000 1.241 1241 K HN 1.090 nan 8.250 nan 0.000 0.486 1242 G N -1.364 106.969 108.800 -0.778 0.000 2.179 1242 G HA2 -0.317 3.644 3.960 0.001 0.000 0.260 1242 G HA3 -0.317 3.644 3.960 0.001 0.000 0.260 1242 G C 0.126 174.755 174.900 -0.453 0.000 0.977 1242 G CA 0.171 44.574 45.100 -1.161 0.000 0.641 1242 G HN 0.257 nan 8.290 nan 0.000 0.533 1243 V N 0.914 120.695 119.914 -0.221 0.000 2.370 1243 V HA 0.521 4.641 4.120 0.001 0.000 0.279 1243 V C 0.450 176.568 176.094 0.040 0.000 1.029 1243 V CA -0.464 61.808 62.300 -0.046 0.000 0.870 1243 V CB 1.496 33.334 31.823 0.024 0.000 0.984 1243 V HN 0.439 nan 8.190 nan 0.000 0.451 1244 c N 7.240 125.891 118.600 0.086 0.000 2.335 1244 c HA 0.485 5.056 4.570 0.001 0.000 0.318 1244 c C -2.474 171.680 174.090 0.107 0.000 1.150 1244 c CA -1.534 54.854 56.329 0.099 0.000 1.466 1244 c CB 0.580 43.159 42.510 0.115 0.000 2.024 1244 c HN 0.607 nan 8.230 nan 0.000 0.429 1245 P HA 0.411 nan 4.420 nan 0.000 0.279 1245 P C -0.667 176.565 177.300 -0.112 0.000 1.239 1245 P CA -0.013 62.937 63.100 -0.251 0.000 0.789 1245 P CB 0.891 32.352 31.700 -0.399 0.000 0.933 1246 V N 4.015 123.872 119.914 -0.095 0.000 2.638 1246 V HA 0.274 4.394 4.120 0.001 0.000 0.306 1246 V C -0.125 175.934 176.094 -0.059 0.000 1.052 1246 V CA -0.754 61.554 62.300 0.013 0.000 0.885 1246 V CB 2.447 34.400 31.823 0.217 0.000 0.999 1246 V HN 0.200 nan 8.190 nan 0.000 0.424 1247 V N 6.194 126.069 119.914 -0.064 0.000 2.439 1247 V HA 0.566 4.686 4.120 0.001 0.000 0.282 1247 V C 0.029 176.131 176.094 0.013 0.000 1.039 1247 V CA -0.184 62.073 62.300 -0.071 0.000 0.913 1247 V CB 1.391 33.154 31.823 -0.100 0.000 0.983 1247 V HN 0.832 nan 8.190 nan 0.000 0.460 1248 M N 3.284 122.930 119.600 0.077 0.000 2.572 1248 M HA 0.591 5.071 4.480 0.001 0.000 0.299 1248 M C -0.713 175.715 176.300 0.213 0.000 1.205 1248 M CA -0.362 55.038 55.300 0.167 0.000 0.876 1248 M CB 2.866 35.665 32.600 0.333 0.000 1.728 1248 M HN 0.548 nan 8.290 nan 0.000 0.458 1249 T N 0.332 114.971 114.554 0.141 0.000 2.900 1249 T HA 0.522 4.872 4.350 0.001 0.000 0.295 1249 T C -1.713 172.985 174.700 -0.004 0.000 1.044 1249 T CA -0.614 61.555 62.100 0.115 0.000 0.995 1249 T CB 1.965 70.829 68.868 -0.005 0.000 1.072 1249 T HN 0.587 nan 8.240 nan 0.000 0.473 1250 D N 0.312 120.708 120.400 -0.007 0.000 2.936 1250 D HA 0.643 5.283 4.640 0.001 0.000 0.238 1250 D C -0.156 176.115 176.300 -0.048 0.000 1.248 1250 D CA 0.328 54.205 54.000 -0.206 0.000 0.903 1250 D CB 1.659 41.986 40.800 -0.789 0.000 1.544 1250 D HN 0.992 nan 8.370 nan 0.000 0.543 1251 G N 2.611 111.381 108.800 -0.051 0.000 2.369 1251 G HA2 0.113 4.073 3.960 0.001 0.000 0.307 1251 G HA3 0.113 4.073 3.960 0.001 0.000 0.307 1251 G C -3.022 171.875 174.900 -0.006 0.000 1.327 1251 G CA -0.993 44.099 45.100 -0.014 0.000 0.963 1251 G HN 0.375 nan 8.290 nan 0.000 0.590 1252 P HA 0.358 nan 4.420 nan 0.000 0.266 1252 P C 0.825 178.136 177.300 0.018 0.000 1.193 1252 P CA 0.944 64.017 63.100 -0.046 0.000 0.770 1252 P CB 0.965 32.587 31.700 -0.129 0.000 0.836 1253 A N 3.082 125.896 122.820 -0.010 0.000 2.072 1253 A HA -0.068 4.252 4.320 0.001 0.000 0.216 1253 A C 1.094 178.591 177.584 -0.145 0.000 1.156 1253 A CA 1.035 53.088 52.037 0.027 0.000 0.701 1253 A CB -0.674 18.337 19.000 0.019 0.000 0.816 1253 A HN 0.675 nan 8.150 nan 0.000 0.458 1254 N N -0.607 117.979 118.700 -0.190 0.000 2.351 1254 N HA 0.149 4.890 4.740 0.001 0.000 0.254 1254 N C -0.651 174.616 175.510 -0.405 0.000 1.241 1254 N CA -0.313 52.625 53.050 -0.187 0.000 0.883 1254 N CB -0.121 38.331 38.487 -0.060 0.000 1.202 1254 N HN 0.267 nan 8.380 nan 0.000 0.512 1255 N N 0.284 118.522 118.700 -0.770 0.000 3.116 1255 N HA 0.220 4.961 4.740 0.001 0.000 0.244 1255 N C -1.327 173.391 175.510 -1.320 0.000 1.485 1255 N CA -0.518 51.740 53.050 -1.320 0.000 0.884 1255 N CB 2.119 40.244 38.487 -0.605 0.000 1.415 1255 N HN 0.101 nan 8.380 nan 0.000 0.524 1256 R N 0.485 120.048 120.500 -1.561 0.000 2.619 1256 R HA 0.311 4.652 4.340 0.001 0.000 0.268 1256 R C -0.410 175.775 176.300 -0.192 0.000 0.990 1256 R CA 0.696 56.407 56.100 -0.648 0.000 1.092 1256 R CB -0.005 30.075 30.300 -0.366 0.000 0.935 1256 R HN 0.549 nan 8.270 nan 0.000 0.415 1257 A N 2.588 125.411 122.820 0.005 0.000 2.504 1257 A HA 0.758 5.078 4.320 0.001 0.000 0.285 1257 A C -1.490 176.133 177.584 0.065 0.000 1.261 1257 A CA -0.356 51.699 52.037 0.029 0.000 0.741 1257 A CB 1.564 20.587 19.000 0.038 0.000 1.327 1257 A HN 0.752 nan 8.150 nan 0.000 0.441 1258 A N 0.659 123.560 122.820 0.135 0.000 2.394 1258 A HA 0.627 4.947 4.320 0.001 0.000 0.333 1258 A C -0.155 177.611 177.584 0.304 0.000 1.397 1258 A CA -0.190 51.984 52.037 0.228 0.000 0.884 1258 A CB -0.456 18.775 19.000 0.386 0.000 1.147 1258 A HN 0.654 nan 8.150 nan 0.000 0.505 1259 T N 2.714 117.345 114.554 0.128 0.000 2.875 1259 T HA 0.492 4.842 4.350 0.001 0.000 0.284 1259 T C -0.099 174.593 174.700 -0.013 0.000 0.995 1259 T CA -0.192 61.963 62.100 0.092 0.000 1.060 1259 T CB 0.893 69.755 68.868 -0.011 0.000 0.967 1259 T HN 0.644 nan 8.240 nan 0.000 0.476 1260 K N 2.038 122.420 120.400 -0.031 0.000 2.435 1260 K HA 0.593 4.913 4.320 0.001 0.000 0.251 1260 K C -1.071 175.422 176.600 -0.178 0.000 0.954 1260 K CA -1.065 55.102 56.287 -0.200 0.000 0.820 1260 K CB 1.859 34.077 32.500 -0.470 0.000 1.292 1260 K HN 0.299 nan 8.250 nan 0.000 0.436 1261 I N 3.087 123.507 120.570 -0.250 0.000 2.321 1261 I HA 0.367 4.537 4.170 0.001 0.000 0.291 1261 I C -0.068 175.845 176.117 -0.340 0.000 0.998 1261 I CA -0.609 60.491 61.300 -0.334 0.000 1.227 1261 I CB 0.640 38.361 38.000 -0.465 0.000 1.368 1261 I HN 0.501 nan 8.210 nan 0.000 0.466 1262 I N 6.694 127.048 120.570 -0.360 0.000 2.362 1262 I HA 0.260 4.431 4.170 0.001 0.000 0.289 1262 I C -0.879 174.859 176.117 -0.633 0.000 0.994 1262 I CA -0.813 60.213 61.300 -0.456 0.000 1.158 1262 I CB 1.135 38.859 38.000 -0.460 0.000 1.315 1262 I HN 0.329 nan 8.210 nan 0.000 0.451 1263 Y N 6.132 126.174 120.300 -0.431 0.000 2.383 1263 Y HA 0.406 4.957 4.550 0.001 0.000 0.344 1263 Y C -0.274 175.385 175.900 -0.402 0.000 0.986 1263 Y CA -0.320 57.603 58.100 -0.295 0.000 1.175 1263 Y CB 0.360 38.713 38.460 -0.178 0.000 1.152 1263 Y HN 0.309 nan 8.280 nan 0.000 0.511 1264 F N 2.505 122.476 119.950 0.035 0.000 2.458 1264 F HA 0.564 5.091 4.527 0.001 0.000 0.330 1264 F C 0.046 175.805 175.800 -0.067 0.000 1.082 1264 F CA -1.110 56.877 58.000 -0.021 0.000 0.995 1264 F CB 1.769 40.748 39.000 -0.035 0.000 1.170 1264 F HN 0.200 nan 8.300 nan 0.000 0.478 1265 K N 1.801 122.252 120.400 0.085 0.000 2.578 1265 K HA 0.253 4.573 4.320 0.001 0.000 0.250 1265 K C -0.645 175.837 176.600 -0.197 0.000 0.955 1265 K CA -0.382 55.857 56.287 -0.079 0.000 0.825 1265 K CB 0.974 33.411 32.500 -0.104 0.000 1.151 1265 K HN 0.790 nan 8.250 nan 0.000 0.432 1266 E N 2.292 122.201 120.200 -0.485 0.000 2.539 1266 E HA -0.278 4.073 4.350 0.001 0.000 0.253 1266 E C 0.484 176.611 176.600 -0.790 0.000 1.145 1266 E CA 0.785 56.473 56.400 -1.186 0.000 0.738 1266 E CB -1.360 27.981 29.700 -0.599 0.000 1.308 1266 E HN 1.165 nan 8.360 nan 0.000 0.409 1267 G N -0.190 108.380 108.800 -0.383 0.000 2.179 1267 G HA2 -0.368 3.592 3.960 0.001 0.000 0.260 1267 G HA3 -0.368 3.592 3.960 0.001 0.000 0.260 1267 G C 0.124 175.077 174.900 0.089 0.000 0.977 1267 G CA 0.786 45.822 45.100 -0.107 0.000 0.641 1267 G HN 0.259 nan 8.290 nan 0.000 0.533 1268 K N 0.130 120.585 120.400 0.092 0.000 2.159 1268 K HA 0.614 4.934 4.320 0.001 0.000 0.266 1268 K C 0.526 177.212 176.600 0.142 0.000 0.975 1268 K CA -0.970 55.388 56.287 0.118 0.000 0.865 1268 K CB 1.819 34.330 32.500 0.018 0.000 1.087 1268 K HN 0.203 nan 8.250 nan 0.000 0.446 1269 I N 3.791 124.403 120.570 0.070 0.000 2.668 1269 I HA -0.146 4.025 4.170 0.001 0.000 0.285 1269 I C 1.356 177.407 176.117 -0.111 0.000 1.168 1269 I CA 0.244 61.451 61.300 -0.154 0.000 1.424 1269 I CB 0.576 38.491 38.000 -0.142 0.000 1.377 1269 I HN 0.551 nan 8.210 nan 0.000 0.560 1270 Q N 5.365 125.085 119.800 -0.134 0.000 2.324 1270 Q HA 0.190 4.531 4.340 0.001 0.000 0.207 1270 Q C 0.368 176.305 176.000 -0.106 0.000 0.928 1270 Q CA 0.804 56.551 55.803 -0.092 0.000 0.890 1270 Q CB 0.513 29.207 28.738 -0.074 0.000 1.001 1270 Q HN 0.593 nan 8.270 nan 0.000 0.517 1271 K N -0.271 120.068 120.400 -0.103 0.000 2.578 1271 K HA 0.479 4.799 4.320 0.001 0.000 0.269 1271 K C -1.761 174.822 176.600 -0.029 0.000 0.941 1271 K CA -0.368 55.865 56.287 -0.089 0.000 0.847 1271 K CB 1.574 33.961 32.500 -0.188 0.000 1.397 1271 K HN -0.072 nan 8.250 nan 0.000 0.422 1272 I N 2.864 123.400 120.570 -0.058 0.000 2.447 1272 I HA 0.297 4.468 4.170 0.001 0.000 0.287 1272 I C -0.692 175.395 176.117 -0.051 0.000 1.023 1272 I CA -0.613 60.637 61.300 -0.083 0.000 1.083 1272 I CB 2.050 39.953 38.000 -0.162 0.000 1.245 1272 I HN 0.532 nan 8.210 nan 0.000 0.434 1273 E N 5.207 125.405 120.200 -0.004 0.000 2.195 1273 E HA 0.390 4.741 4.350 0.001 0.000 0.271 1273 E C -1.000 175.561 176.600 -0.063 0.000 0.923 1273 E CA -0.847 55.563 56.400 0.016 0.000 0.790 1273 E CB 2.275 32.083 29.700 0.180 0.000 1.155 1273 E HN 0.486 nan 8.360 nan 0.000 0.402 1274 E N 1.318 121.491 120.200 -0.045 0.000 2.366 1274 E HA 0.107 4.458 4.350 0.001 0.000 0.266 1274 E C -0.480 176.149 176.600 0.048 0.000 1.051 1274 E CA -0.510 55.854 56.400 -0.060 0.000 0.884 1274 E CB 0.839 30.504 29.700 -0.058 0.000 1.006 1274 E HN 0.209 nan 8.360 nan 0.000 0.417 1275 L N 2.527 123.753 121.223 0.005 0.000 2.490 1275 L HA 0.224 4.564 4.340 0.001 0.000 0.274 1275 L C -0.658 176.327 176.870 0.193 0.000 1.201 1275 L CA 0.615 55.499 54.840 0.075 0.000 0.869 1275 L CB 0.292 42.353 42.059 0.003 0.000 1.123 1275 L HN 0.563 nan 8.230 nan 0.000 0.484 1276 A N 3.336 126.384 122.820 0.379 0.000 2.423 1276 A HA 0.965 5.286 4.320 0.001 0.000 0.304 1276 A C 0.146 177.777 177.584 0.078 0.000 1.104 1276 A CA 0.053 52.157 52.037 0.111 0.000 0.757 1276 A CB 1.149 20.113 19.000 -0.059 0.000 1.313 1276 A HN 1.708 nan 8.150 nan 0.000 0.423 1277 G N 0.311 109.130 108.800 0.031 0.000 2.396 1277 G HA2 -0.079 3.882 3.960 0.001 0.000 0.254 1277 G HA3 -0.079 3.882 3.960 0.001 0.000 0.254 1277 G C -0.171 174.760 174.900 0.051 0.000 1.248 1277 G CA 0.096 45.211 45.100 0.025 0.000 1.033 1277 G HN 0.822 nan 8.290 nan 0.000 0.502 1278 N N 0.800 119.533 118.700 0.054 0.000 2.254 1278 N HA 0.374 5.114 4.740 0.001 0.000 0.190 1278 N C 1.066 176.660 175.510 0.139 0.000 1.107 1278 N CA 0.833 53.947 53.050 0.107 0.000 0.869 1278 N CB 0.535 39.101 38.487 0.131 0.000 0.983 1278 N HN 1.094 nan 8.380 nan 0.000 0.487 1279 A N 0.857 123.665 122.820 -0.020 0.000 2.492 1279 A HA 0.081 4.401 4.320 0.001 0.000 0.254 1279 A C 1.015 178.652 177.584 0.088 0.000 1.091 1279 A CA 0.069 51.998 52.037 -0.179 0.000 0.768 1279 A CB 0.348 19.176 19.000 -0.286 0.000 1.028 1279 A HN 0.206 nan 8.150 nan 0.000 0.498 1280 Q N -0.030 119.929 119.800 0.265 0.000 2.384 1280 Q HA 0.081 4.421 4.340 0.001 0.000 0.207 1280 Q C -0.463 175.842 176.000 0.509 0.000 0.904 1280 Q CA 0.553 56.577 55.803 0.367 0.000 0.933 1280 Q CB 0.338 29.273 28.738 0.329 0.000 1.077 1280 Q HN 0.900 nan 8.270 nan 0.000 0.522 1281 H N -0.523 118.716 119.070 0.281 0.000 3.129 1281 H HA 0.324 4.880 4.556 0.001 0.000 0.342 1281 H C -1.816 173.589 175.328 0.128 0.000 1.092 1281 H CA -0.561 55.637 56.048 0.249 0.000 1.310 1281 H CB 0.920 30.915 29.762 0.388 0.000 1.932 1281 H HN -0.116 nan 8.280 nan 0.000 0.507 1282 I N 4.520 124.893 120.570 -0.329 0.000 2.466 1282 I HA 0.360 4.530 4.170 0.001 0.000 0.289 1282 I C -0.644 175.347 176.117 -0.210 0.000 1.026 1282 I CA -0.549 60.642 61.300 -0.182 0.000 1.078 1282 I CB 1.668 39.590 38.000 -0.131 0.000 1.249 1282 I HN 0.689 nan 8.210 nan 0.000 0.429 1283 E N 4.740 124.893 120.200 -0.079 0.000 2.383 1283 E HA 0.321 4.671 4.350 0.001 0.000 0.275 1283 E C -0.819 175.763 176.600 -0.031 0.000 0.918 1283 E CA -0.744 55.636 56.400 -0.034 0.000 0.764 1283 E CB 2.167 31.888 29.700 0.035 0.000 1.252 1283 E HN 0.466 nan 8.360 nan 0.000 0.449 1284 E N -0.058 120.128 120.200 -0.023 0.000 2.228 1284 E HA -0.208 4.142 4.350 0.001 0.000 0.213 1284 E C -0.679 175.889 176.600 -0.052 0.000 1.282 1284 E CA 0.154 56.529 56.400 -0.041 0.000 0.707 1284 E CB -1.682 27.955 29.700 -0.105 0.000 1.150 1284 E HN 0.386 nan 8.360 nan 0.000 0.362 1285 c N 1.519 120.092 118.600 -0.044 0.000 2.590 1285 c HA 0.076 4.647 4.570 0.001 0.000 0.411 1285 c C 1.177 175.254 174.090 -0.022 0.000 1.420 1285 c CA 0.015 56.320 56.329 -0.040 0.000 1.643 1285 c CB -0.178 42.300 42.510 -0.054 0.000 2.528 1285 c HN 0.335 nan 8.230 nan 0.000 0.606 1286 S N 2.989 118.696 115.700 0.011 0.000 2.422 1286 S HA 0.428 4.898 4.470 0.001 0.000 0.298 1286 S C -0.200 174.444 174.600 0.074 0.000 1.118 1286 S CA -0.495 57.738 58.200 0.055 0.000 1.083 1286 S CB 0.337 63.602 63.200 0.108 0.000 0.971 1286 S HN 0.845 nan 8.310 nan 0.000 0.478 1287 c N 3.499 122.152 118.600 0.088 0.000 2.614 1287 c HA 0.912 5.482 4.570 0.001 0.000 0.320 1287 c C -0.572 173.658 174.090 0.233 0.000 1.200 1287 c CA -0.972 55.408 56.329 0.086 0.000 1.700 1287 c CB 0.284 42.796 42.510 0.004 0.000 2.275 1287 c HN 0.949 nan 8.230 nan 0.000 0.492 1288 Y N -0.621 119.743 120.300 0.106 0.000 2.638 1288 Y HA 0.817 5.367 4.550 0.001 0.000 0.335 1288 Y C -0.360 175.662 175.900 0.203 0.000 1.155 1288 Y CA -0.872 57.370 58.100 0.238 0.000 1.046 1288 Y CB 0.872 39.538 38.460 0.342 0.000 1.303 1288 Y HN 0.872 nan 8.280 nan 0.000 0.460 1289 G N 0.320 109.270 108.800 0.251 0.000 2.498 1289 G HA2 0.900 4.861 3.960 0.001 0.000 0.312 1289 G HA3 0.900 4.861 3.960 0.001 0.000 0.312 1289 G C -1.712 173.414 174.900 0.377 0.000 1.230 1289 G CA -0.698 44.450 45.100 0.079 0.000 0.968 1289 G HN 1.594 nan 8.290 nan 0.000 0.481 1290 A N -0.933 122.072 122.820 0.309 0.000 2.585 1290 A HA 0.681 5.002 4.320 0.001 0.000 0.299 1290 A C 0.492 178.235 177.584 0.265 0.000 1.047 1290 A CA 0.447 52.773 52.037 0.483 0.000 0.723 1290 A CB 0.542 19.861 19.000 0.532 0.000 1.275 1290 A HN 2.620 nan 8.150 nan 0.000 0.408 1291 G N 0.450 109.393 108.800 0.238 0.000 2.395 1291 G HA2 0.204 4.164 3.960 0.001 0.000 0.300 1291 G HA3 0.204 4.164 3.960 0.001 0.000 0.300 1291 G C 1.867 176.801 174.900 0.056 0.000 0.998 1291 G CA 1.828 46.999 45.100 0.118 0.000 1.046 1291 G HN 2.997 nan 8.290 nan 0.000 0.513 1292 G N -3.295 105.517 108.800 0.020 0.000 2.189 1292 G HA2 -0.074 3.887 3.960 0.001 0.000 0.267 1292 G HA3 -0.074 3.887 3.960 0.001 0.000 0.267 1292 G C 0.415 175.214 174.900 -0.169 0.000 0.975 1292 G CA 0.783 45.784 45.100 -0.166 0.000 0.644 1292 G HN 1.700 nan 8.290 nan 0.000 0.537 1293 V N 1.072 120.943 119.914 -0.071 0.000 2.555 1293 V HA 0.668 4.789 4.120 0.001 0.000 0.302 1293 V C 0.380 176.408 176.094 -0.109 0.000 1.038 1293 V CA -0.834 61.419 62.300 -0.078 0.000 0.887 1293 V CB 1.965 33.767 31.823 -0.035 0.000 0.991 1293 V HN 0.269 nan 8.190 nan 0.000 0.434 1294 I N 4.632 125.124 120.570 -0.130 0.000 2.339 1294 I HA 0.426 4.597 4.170 0.001 0.000 0.290 1294 I C 0.016 176.002 176.117 -0.218 0.000 0.994 1294 I CA -0.315 60.872 61.300 -0.188 0.000 1.191 1294 I CB 1.141 39.064 38.000 -0.128 0.000 1.343 1294 I HN 0.503 nan 8.210 nan 0.000 0.458 1295 K N 5.541 125.712 120.400 -0.382 0.000 2.221 1295 K HA 0.620 4.940 4.320 0.001 0.000 0.258 1295 K C -1.417 175.052 176.600 -0.218 0.000 0.944 1295 K CA -0.626 55.495 56.287 -0.278 0.000 0.823 1295 K CB 2.100 34.440 32.500 -0.267 0.000 1.113 1295 K HN 0.501 nan 8.250 nan 0.000 0.431 1296 c N 3.541 122.077 118.600 -0.108 0.000 2.319 1296 c HA 0.487 5.057 4.570 0.001 0.000 0.323 1296 c C -0.427 173.641 174.090 -0.038 0.000 1.277 1296 c CA -0.897 55.395 56.329 -0.062 0.000 1.517 1296 c CB -0.356 42.108 42.510 -0.076 0.000 2.206 1296 c HN 0.657 nan 8.230 nan 0.000 0.486 1297 I N 3.333 123.899 120.570 -0.006 0.000 2.339 1297 I HA 0.496 4.666 4.170 0.001 0.000 0.290 1297 I C 0.377 176.485 176.117 -0.015 0.000 0.994 1297 I CA 0.444 61.738 61.300 -0.009 0.000 1.191 1297 I CB 0.657 38.660 38.000 0.005 0.000 1.343 1297 I HN 0.732 nan 8.210 nan 0.000 0.458 1298 c N 4.242 122.822 118.600 -0.034 0.000 3.082 1298 c HA 0.693 5.263 4.570 0.001 0.000 0.384 1298 c C 0.184 174.267 174.090 -0.012 0.000 1.832 1298 c CA -1.095 55.214 56.329 -0.033 0.000 1.605 1298 c CB 1.736 44.214 42.510 -0.053 0.000 2.303 1298 c HN 0.741 nan 8.230 nan 0.000 0.473 1299 R N 1.265 121.765 120.500 0.000 0.000 2.360 1299 R HA 0.351 4.692 4.340 0.001 0.000 0.318 1299 R C -1.471 174.904 176.300 0.125 0.000 0.950 1299 R CA -0.016 56.111 56.100 0.045 0.000 0.837 1299 R CB 0.646 30.950 30.300 0.007 0.000 1.165 1299 R HN 0.819 nan 8.270 nan 0.000 0.458 1300 D N 3.336 123.844 120.400 0.180 0.000 2.365 1300 D HA 0.025 4.665 4.640 0.001 0.000 0.237 1300 D C -0.026 176.444 176.300 0.283 0.000 1.190 1300 D CA -0.095 54.091 54.000 0.310 0.000 0.867 1300 D CB 1.063 42.069 40.800 0.343 0.000 1.050 1300 D HN 0.666 nan 8.370 nan 0.000 0.491 1301 N N 3.244 122.167 118.700 0.372 0.000 2.336 1301 N HA 0.009 4.749 4.740 0.001 0.000 0.189 1301 N C 0.797 176.334 175.510 0.045 0.000 1.113 1301 N CA 0.016 53.168 53.050 0.170 0.000 0.858 1301 N CB 0.105 38.708 38.487 0.194 0.000 0.970 1301 N HN 0.481 nan 8.380 nan 0.000 0.471 1302 W N 0.616 121.771 121.300 -0.240 0.000 2.633 1302 W HA 0.301 4.961 4.660 0.001 0.000 0.295 1302 W C 1.352 177.823 176.519 -0.080 0.000 1.133 1302 W CA 1.248 58.438 57.345 -0.257 0.000 1.490 1302 W CB -0.054 29.214 29.460 -0.319 0.000 1.127 1302 W HN -0.147 nan 8.180 nan 0.000 0.538 1303 K N -1.324 119.072 120.400 -0.007 0.000 2.431 1303 K HA 0.264 4.585 4.320 0.001 0.000 0.213 1303 K C 0.973 177.526 176.600 -0.078 0.000 1.258 1303 K CA 0.492 56.670 56.287 -0.182 0.000 0.845 1303 K CB -0.294 31.961 32.500 -0.408 0.000 1.498 1303 K HN -0.115 nan 8.250 nan 0.000 0.451 1304 G N 0.680 109.473 108.800 -0.011 0.000 2.343 1304 G HA2 0.286 4.247 3.960 0.001 0.000 0.254 1304 G HA3 0.286 4.247 3.960 0.001 0.000 0.254 1304 G C 0.484 175.407 174.900 0.037 0.000 1.277 1304 G CA 0.140 45.228 45.100 -0.020 0.000 0.909 1304 G HN 0.342 nan 8.290 nan 0.000 0.502 1305 A N 2.963 125.776 122.820 -0.012 0.000 2.218 1305 A HA 0.115 4.435 4.320 0.001 0.000 0.209 1305 A C 1.324 178.915 177.584 0.013 0.000 1.168 1305 A CA 0.029 52.069 52.037 0.005 0.000 0.804 1305 A CB -0.311 18.680 19.000 -0.015 0.000 0.834 1305 A HN 0.732 nan 8.150 nan 0.000 0.482 1306 N N 0.387 119.096 118.700 0.015 0.000 2.493 1306 N HA 0.279 5.019 4.740 0.001 0.000 0.275 1306 N C -0.607 175.031 175.510 0.214 0.000 1.186 1306 N CA -0.354 52.742 53.050 0.076 0.000 0.978 1306 N CB 0.519 39.033 38.487 0.045 0.000 1.184 1306 N HN 0.174 nan 8.380 nan 0.000 0.487 1307 R N 0.199 120.806 120.500 0.178 0.000 2.460 1307 R HA 0.441 4.782 4.340 0.001 0.000 0.303 1307 R C -2.328 174.017 176.300 0.075 0.000 0.968 1307 R CA -1.672 54.502 56.100 0.124 0.000 0.889 1307 R CB 1.281 31.600 30.300 0.031 0.000 1.123 1307 R HN 0.457 nan 8.270 nan 0.000 0.455 1308 P HA 0.051 nan 4.420 nan 0.000 0.272 1308 P C -0.871 176.317 177.300 -0.187 0.000 1.223 1308 P CA -0.211 62.650 63.100 -0.398 0.000 0.784 1308 P CB 0.705 32.163 31.700 -0.403 0.000 0.923 1309 V N 3.861 123.668 119.914 -0.177 0.000 2.482 1309 V HA 0.368 4.489 4.120 0.001 0.000 0.295 1309 V C 0.081 176.129 176.094 -0.077 0.000 1.026 1309 V CA -0.401 61.848 62.300 -0.085 0.000 0.856 1309 V CB 1.379 33.180 31.823 -0.036 0.000 1.001 1309 V HN 0.367 nan 8.190 nan 0.000 0.424 1310 I N 3.497 124.029 120.570 -0.064 0.000 2.359 1310 I HA 0.455 4.625 4.170 0.001 0.000 0.294 1310 I C 0.189 176.292 176.117 -0.024 0.000 0.987 1310 I CA -0.127 61.153 61.300 -0.033 0.000 1.225 1310 I CB 1.910 39.870 38.000 -0.067 0.000 1.366 1310 I HN 0.493 nan 8.210 nan 0.000 0.466 1311 T N 7.158 121.722 114.554 0.016 0.000 2.758 1311 T HA 0.587 4.938 4.350 0.001 0.000 0.285 1311 T C -0.149 174.576 174.700 0.042 0.000 0.981 1311 T CA -0.293 61.809 62.100 0.002 0.000 0.965 1311 T CB 0.735 69.603 68.868 0.001 0.000 0.927 1311 T HN 0.271 nan 8.240 nan 0.000 0.448 1312 I N 2.818 123.395 120.570 0.012 0.000 2.433 1312 I HA 0.319 4.489 4.170 0.001 0.000 0.292 1312 I C -0.292 175.846 176.117 0.036 0.000 1.001 1312 I CA -0.859 60.477 61.300 0.060 0.000 1.119 1312 I CB 1.777 39.791 38.000 0.024 0.000 1.289 1312 I HN 0.476 nan 8.210 nan 0.000 0.438 1313 D N 8.979 129.419 120.400 0.066 0.000 2.467 1313 D HA 0.229 4.869 4.640 0.001 0.000 0.220 1313 D C -1.690 174.633 176.300 0.039 0.000 1.103 1313 D CA -2.323 51.685 54.000 0.012 0.000 0.886 1313 D CB 1.526 42.322 40.800 -0.006 0.000 1.025 1313 D HN 0.222 nan 8.370 nan 0.000 0.514 1314 P HA -0.062 nan 4.420 nan 0.000 0.230 1314 P C 0.773 178.119 177.300 0.077 0.000 1.158 1314 P CA 0.699 63.861 63.100 0.104 0.000 0.769 1314 P CB 0.770 32.517 31.700 0.078 0.000 0.807 1315 E N -0.614 119.609 120.200 0.039 0.000 2.060 1315 E HA 0.020 4.370 4.350 0.001 0.000 0.189 1315 E C 2.015 178.590 176.600 -0.043 0.000 0.974 1315 E CA 0.860 57.283 56.400 0.038 0.000 0.808 1315 E CB -0.234 29.505 29.700 0.065 0.000 0.768 1315 E HN 0.110 nan 8.360 nan 0.000 0.453 1316 M N -0.327 119.236 119.600 -0.062 0.000 2.419 1316 M HA 0.060 4.541 4.480 0.001 0.000 0.264 1316 M C 0.727 176.905 176.300 -0.204 0.000 1.082 1316 M CA 0.759 55.997 55.300 -0.103 0.000 1.119 1316 M CB -0.464 32.092 32.600 -0.073 0.000 1.398 1316 M HN 0.178 nan 8.290 nan 0.000 0.453 1317 M N 1.647 121.089 119.600 -0.263 0.000 2.347 1317 M HA -0.162 4.319 4.480 0.001 0.000 0.198 1317 M C -0.318 175.731 176.300 -0.418 0.000 0.549 1317 M CA 0.625 55.500 55.300 -0.709 0.000 0.481 1317 M CB -2.320 29.550 32.600 -1.217 0.000 1.393 1317 M HN 0.441 nan 8.290 nan 0.000 0.905 1318 T N -2.668 111.864 114.554 -0.037 0.000 2.864 1318 T HA 0.910 5.260 4.350 0.001 0.000 0.299 1318 T C -0.669 174.137 174.700 0.176 0.000 1.166 1318 T CA -0.759 61.378 62.100 0.062 0.000 1.007 1318 T CB 2.883 71.726 68.868 -0.043 0.000 1.219 1318 T HN 0.547 nan 8.240 nan 0.000 0.506 1319 H N -0.784 118.308 119.070 0.038 0.000 2.990 1319 H HA 0.791 5.347 4.556 0.001 0.000 0.343 1319 H C -1.325 174.001 175.328 -0.003 0.000 1.270 1319 H CA -0.750 55.310 56.048 0.021 0.000 1.118 1319 H CB 1.485 31.263 29.762 0.028 0.000 1.861 1319 H HN 1.023 nan 8.280 nan 0.000 0.544 1320 T N -0.939 113.606 114.554 -0.014 0.000 2.883 1320 T HA 0.629 4.979 4.350 0.001 0.000 0.296 1320 T C -0.462 174.290 174.700 0.087 0.000 1.117 1320 T CA -0.571 61.493 62.100 -0.060 0.000 1.006 1320 T CB 1.657 70.495 68.868 -0.049 0.000 1.191 1320 T HN 0.970 nan 8.240 nan 0.000 0.508 1321 S N -0.087 115.644 115.700 0.050 0.000 2.588 1321 S HA 0.914 5.385 4.470 0.001 0.000 0.275 1321 S C -1.009 173.578 174.600 -0.022 0.000 1.130 1321 S CA -0.864 57.348 58.200 0.021 0.000 0.855 1321 S CB 2.398 65.618 63.200 0.033 0.000 1.116 1321 S HN 1.375 nan 8.310 nan 0.000 0.472 1322 K N 0.034 120.384 120.400 -0.083 0.000 2.410 1322 K HA 0.440 4.761 4.320 0.001 0.000 0.261 1322 K C -1.800 174.671 176.600 -0.215 0.000 0.847 1322 K CA -0.967 55.287 56.287 -0.056 0.000 0.673 1322 K CB 0.155 32.676 32.500 0.035 0.000 1.377 1322 K HN 0.551 nan 8.250 nan 0.000 0.330 1323 Y N 0.486 120.793 120.300 0.013 0.000 2.567 1323 Y HA 0.451 5.001 4.550 0.001 0.000 0.333 1323 Y C 0.161 176.063 175.900 0.003 0.000 1.106 1323 Y CA -1.074 57.030 58.100 0.007 0.000 1.157 1323 Y CB 1.503 39.963 38.460 -0.001 0.000 1.277 1323 Y HN 0.287 nan 8.280 nan 0.000 0.490 1324 L N 1.610 122.932 121.223 0.165 0.000 2.513 1324 L HA -0.100 4.240 4.340 0.001 0.000 0.272 1324 L C 0.603 177.527 176.870 0.089 0.000 1.187 1324 L CA -0.128 54.767 54.840 0.091 0.000 0.895 1324 L CB 0.387 42.480 42.059 0.056 0.000 1.147 1324 L HN 0.954 nan 8.230 nan 0.000 0.483 1325 c N 1.314 119.948 118.600 0.057 0.000 2.435 1325 c HA -0.105 4.466 4.570 0.001 0.000 0.279 1325 c C 1.871 175.968 174.090 0.012 0.000 1.321 1325 c CA 0.177 56.528 56.329 0.036 0.000 1.752 1325 c CB -0.602 41.924 42.510 0.026 0.000 1.959 1325 c HN 0.887 nan 8.230 nan 0.000 0.500 1326 S N 1.199 116.902 115.700 0.005 0.000 2.563 1326 S HA -0.005 4.466 4.470 0.001 0.000 0.284 1326 S C 1.423 176.011 174.600 -0.020 0.000 1.331 1326 S CA -0.107 58.086 58.200 -0.013 0.000 1.047 1326 S CB 0.412 63.599 63.200 -0.022 0.000 0.859 1326 S HN 0.691 nan 8.310 nan 0.000 0.514 1327 K N 2.592 122.975 120.400 -0.027 0.000 2.439 1327 K HA 0.036 4.357 4.320 0.001 0.000 0.197 1327 K C 0.077 176.655 176.600 -0.037 0.000 1.041 1327 K CA 0.487 56.754 56.287 -0.033 0.000 0.970 1327 K CB -0.304 32.177 32.500 -0.032 0.000 0.773 1327 K HN 0.397 nan 8.250 nan 0.000 0.479 1328 V N 3.927 123.817 119.914 -0.039 0.000 2.364 1328 V HA 0.098 4.219 4.120 0.001 0.000 0.252 1328 V C 0.328 176.393 176.094 -0.048 0.000 1.075 1328 V CA -0.170 62.101 62.300 -0.048 0.000 1.033 1328 V CB -0.246 31.542 31.823 -0.058 0.000 1.116 1328 V HN 0.205 nan 8.190 nan 0.000 0.488 1329 L N 4.923 126.119 121.223 -0.046 0.000 2.397 1329 L HA 0.356 4.697 4.340 0.001 0.000 0.271 1329 L C 1.184 178.022 176.870 -0.054 0.000 1.148 1329 L CA 0.142 54.958 54.840 -0.040 0.000 0.825 1329 L CB 0.978 43.015 42.059 -0.036 0.000 1.117 1329 L HN 0.762 nan 8.230 nan 0.000 0.456 1330 T N -4.022 110.501 114.554 -0.052 0.000 3.275 1330 T HA 0.164 4.514 4.350 0.001 0.000 0.298 1330 T C -0.002 174.664 174.700 -0.057 0.000 0.988 1330 T CA -0.570 61.479 62.100 -0.084 0.000 0.936 1330 T CB 0.090 68.882 68.868 -0.127 0.000 1.159 1330 T HN 0.425 nan 8.240 nan 0.000 0.519 1331 D N 1.428 121.817 120.400 -0.019 0.000 2.387 1331 D HA 0.506 5.146 4.640 0.001 0.000 0.255 1331 D C -0.643 175.665 176.300 0.015 0.000 1.081 1331 D CA -0.040 53.965 54.000 0.008 0.000 0.994 1331 D CB 2.152 42.970 40.800 0.031 0.000 1.127 1331 D HN 0.083 nan 8.370 nan 0.000 0.513 1332 T N 0.651 115.229 114.554 0.040 0.000 2.807 1332 T HA 0.475 4.825 4.350 0.001 0.000 0.279 1332 T C -0.877 173.857 174.700 0.057 0.000 0.993 1332 T CA -0.356 61.775 62.100 0.051 0.000 0.970 1332 T CB 0.870 69.787 68.868 0.081 0.000 0.950 1332 T HN 0.372 nan 8.240 nan 0.000 0.441 1333 S N 2.075 117.802 115.700 0.045 0.000 3.741 1333 S HA -0.089 4.381 4.470 0.001 0.000 0.746 1333 S C -0.127 174.486 174.600 0.021 0.000 0.477 1333 S CA -0.168 58.054 58.200 0.036 0.000 1.449 1333 S CB -0.454 62.772 63.200 0.043 0.000 0.863 1333 S HN 0.973 nan 8.310 nan 0.000 1.075 1334 R N 2.638 123.144 120.500 0.010 0.000 2.836 1334 R HA 0.881 5.221 4.340 0.001 0.000 0.269 1334 R C -3.144 173.151 176.300 -0.009 0.000 1.010 1334 R CA -2.113 53.984 56.100 -0.004 0.000 0.930 1334 R CB 1.455 31.749 30.300 -0.011 0.000 1.218 1334 R HN 0.259 nan 8.270 nan 0.000 0.473 1335 P HA 0.138 nan 4.420 nan 0.000 0.306 1335 P C -0.877 176.410 177.300 -0.021 0.000 1.309 1335 P CA -0.645 62.444 63.100 -0.019 0.000 0.759 1335 P CB 0.427 32.111 31.700 -0.027 0.000 1.314 1336 N N 0.417 119.104 118.700 -0.021 0.000 2.416 1336 N HA 0.024 4.764 4.740 0.001 0.000 0.246 1336 N C -0.160 175.333 175.510 -0.028 0.000 1.260 1336 N CA 0.339 53.375 53.050 -0.023 0.000 0.897 1336 N CB -0.311 38.164 38.487 -0.020 0.000 1.110 1336 N HN 0.335 nan 8.380 nan 0.000 0.439 1337 D N 2.181 122.563 120.400 -0.030 0.000 2.434 1337 D HA 0.092 4.733 4.640 0.001 0.000 0.252 1337 D C -1.418 174.863 176.300 -0.032 0.000 1.185 1337 D CA -0.478 53.502 54.000 -0.034 0.000 0.886 1337 D CB 0.240 41.019 40.800 -0.035 0.000 1.148 1337 D HN 0.334 nan 8.370 nan 0.000 0.483 1338 P HA 0.032 nan 4.420 nan 0.000 0.275 1338 P C 0.681 177.962 177.300 -0.032 0.000 1.270 1338 P CA -0.334 62.745 63.100 -0.035 0.000 0.791 1338 P CB 0.658 32.334 31.700 -0.041 0.000 1.089 1339 T N -1.210 113.326 114.554 -0.029 0.000 2.821 1339 T HA -0.045 4.306 4.350 0.001 0.000 0.267 1339 T C 0.757 175.440 174.700 -0.027 0.000 1.046 1339 T CA 1.282 63.366 62.100 -0.027 0.000 1.139 1339 T CB -0.455 68.399 68.868 -0.024 0.000 0.871 1339 T HN 0.503 nan 8.240 nan 0.000 0.454 1340 N N -0.281 118.401 118.700 -0.031 0.000 2.229 1340 N HA 0.522 5.263 4.740 0.001 0.000 0.298 1340 N C -0.172 175.316 175.510 -0.036 0.000 1.114 1340 N CA -0.832 52.200 53.050 -0.030 0.000 0.776 1340 N CB 2.179 40.649 38.487 -0.029 0.000 1.501 1340 N HN 0.204 nan 8.380 nan 0.000 0.474 1341 G N -0.032 108.748 108.800 -0.032 0.000 2.510 1341 G HA2 0.266 4.226 3.960 0.001 0.000 0.280 1341 G HA3 0.266 4.226 3.960 0.001 0.000 0.280 1341 G C -0.776 174.099 174.900 -0.042 0.000 1.386 1341 G CA -0.284 44.793 45.100 -0.037 0.000 1.047 1341 G HN 0.649 nan 8.290 nan 0.000 0.527 1342 N N -2.153 116.518 118.700 -0.048 0.000 2.500 1342 N HA 0.207 4.947 4.740 0.001 0.000 0.291 1342 N C 0.580 176.089 175.510 -0.002 0.000 1.092 1342 N CA -0.840 52.181 53.050 -0.048 0.000 0.890 1342 N CB 1.337 39.759 38.487 -0.107 0.000 1.466 1342 N HN 0.301 nan 8.380 nan 0.000 0.507 1343 c N 1.228 119.847 118.600 0.032 0.000 2.432 1343 c HA 0.021 4.592 4.570 0.001 0.000 0.280 1343 c C 1.024 175.204 174.090 0.149 0.000 1.353 1343 c CA 0.470 56.849 56.329 0.085 0.000 1.766 1343 c CB -0.566 41.977 42.510 0.055 0.000 1.924 1343 c HN 0.736 nan 8.230 nan 0.000 0.509 1344 D N -0.383 120.077 120.400 0.101 0.000 2.503 1344 D HA 0.388 5.029 4.640 0.001 0.000 0.218 1344 D C 0.199 176.564 176.300 0.109 0.000 1.183 1344 D CA 0.463 54.545 54.000 0.137 0.000 0.827 1344 D CB 0.734 41.576 40.800 0.070 0.000 1.034 1344 D HN 0.460 nan 8.370 nan 0.000 0.510 1345 A N 1.606 124.381 122.820 -0.076 0.000 2.589 1345 A HA 0.534 4.854 4.320 0.001 0.000 0.296 1345 A C -2.837 174.288 177.584 -0.765 0.000 1.062 1345 A CA -1.181 50.682 52.037 -0.289 0.000 0.686 1345 A CB 1.846 20.746 19.000 -0.167 0.000 1.282 1345 A HN -0.252 nan 8.150 nan 0.000 0.404 1346 P HA 0.172 nan 4.420 nan 0.000 0.265 1346 P C -0.555 176.472 177.300 -0.456 0.000 1.193 1346 P CA 0.322 62.895 63.100 -0.878 0.000 0.765 1346 P CB 0.459 31.859 31.700 -0.500 0.000 0.823 1347 I N 3.513 123.878 120.570 -0.342 0.000 2.325 1347 I HA 0.163 4.333 4.170 0.001 0.000 0.291 1347 I C 1.406 177.431 176.117 -0.154 0.000 1.019 1347 I CA 0.036 61.217 61.300 -0.198 0.000 1.302 1347 I CB 0.935 38.851 38.000 -0.140 0.000 1.401 1347 I HN 0.402 nan 8.210 nan 0.000 0.485 1348 T N 2.174 116.647 114.554 -0.134 0.000 2.937 1348 T HA 0.913 5.264 4.350 0.001 0.000 0.283 1348 T C 0.203 174.859 174.700 -0.074 0.000 1.012 1348 T CA -0.299 61.735 62.100 -0.110 0.000 0.997 1348 T CB 2.339 71.130 68.868 -0.129 0.000 1.136 1348 T HN 1.060 nan 8.240 nan 0.000 0.551 1349 G N -1.528 107.239 108.800 -0.056 0.000 2.384 1349 G HA2 0.527 4.487 3.960 0.001 0.000 0.668 1349 G HA3 0.527 4.487 3.960 0.001 0.000 0.668 1349 G C 0.003 174.890 174.900 -0.022 0.000 1.280 1349 G CA -0.043 45.035 45.100 -0.037 0.000 0.992 1349 G HN 2.655 nan 8.290 nan 0.000 0.512 1350 G N -1.910 106.882 108.800 -0.013 0.000 2.662 1350 G HA2 0.532 4.493 3.960 0.001 0.000 0.686 1350 G HA3 0.532 4.493 3.960 0.001 0.000 0.686 1350 G C -0.176 174.727 174.900 0.006 0.000 1.271 1350 G CA 1.023 46.122 45.100 -0.002 0.000 0.816 1350 G HN 2.593 nan 8.290 nan 0.000 0.608 1351 S N 0.180 115.888 115.700 0.013 0.000 2.542 1351 S HA 0.807 5.277 4.470 0.001 0.000 0.276 1351 S C -2.334 172.281 174.600 0.027 0.000 1.148 1351 S CA 0.054 58.264 58.200 0.018 0.000 0.886 1351 S CB 2.403 65.611 63.200 0.013 0.000 1.109 1351 S HN 0.776 nan 8.310 nan 0.000 0.458 1352 P HA 0.347 nan 4.420 nan 0.000 0.275 1352 P C -0.739 176.580 177.300 0.031 0.000 1.310 1352 P CA 0.073 63.189 63.100 0.026 0.000 0.904 1352 P CB 0.139 31.853 31.700 0.024 0.000 1.381 1353 D N 1.552 121.976 120.400 0.039 0.000 2.193 1353 D HA 0.190 4.830 4.640 0.001 0.000 0.249 1353 D C -1.612 174.717 176.300 0.050 0.000 1.034 1353 D CA -1.582 52.446 54.000 0.047 0.000 0.902 1353 D CB 1.828 42.663 40.800 0.059 0.000 1.182 1353 D HN 0.068 nan 8.370 nan 0.000 0.436 1354 P HA 0.116 nan 4.420 nan 0.000 0.240 1354 P C 0.316 177.658 177.300 0.070 0.000 1.190 1354 P CA 0.278 63.412 63.100 0.057 0.000 0.781 1354 P CB 0.957 32.691 31.700 0.057 0.000 0.931 1355 G N -1.684 107.163 108.800 0.078 0.000 2.328 1355 G HA2 0.431 4.391 3.960 0.001 0.000 0.295 1355 G HA3 0.431 4.391 3.960 0.001 0.000 0.295 1355 G C -2.385 172.570 174.900 0.091 0.000 1.413 1355 G CA -0.261 44.888 45.100 0.080 0.000 0.817 1355 G HN 0.014 nan 8.290 nan 0.000 0.546 1356 V N -0.379 119.567 119.914 0.054 0.000 3.098 1356 V HA 0.661 4.781 4.120 0.001 0.000 0.294 1356 V C -0.458 175.554 176.094 -0.137 0.000 1.351 1356 V CA -0.944 61.374 62.300 0.030 0.000 0.999 1356 V CB 1.989 33.900 31.823 0.147 0.000 1.104 1356 V HN 1.102 nan 8.190 nan 0.000 0.438 1357 K N 3.064 123.144 120.400 -0.533 0.000 2.382 1357 K HA 0.609 4.930 4.320 0.001 0.000 0.275 1357 K C 0.092 176.618 176.600 -0.124 0.000 1.009 1357 K CA 0.927 56.932 56.287 -0.470 0.000 0.970 1357 K CB 0.873 32.849 32.500 -0.873 0.000 0.934 1357 K HN 1.049 nan 8.250 nan 0.000 0.479 1358 G N 2.164 110.957 108.800 -0.011 0.000 2.782 1358 G HA2 0.659 4.620 3.960 0.001 0.000 0.304 1358 G HA3 0.659 4.620 3.960 0.001 0.000 0.304 1358 G C -1.612 173.397 174.900 0.181 0.000 1.315 1358 G CA -0.750 44.423 45.100 0.122 0.000 0.791 1358 G HN 0.659 nan 8.290 nan 0.000 0.519 1359 F N -2.388 117.520 119.950 -0.069 0.000 2.779 1359 F HA 0.925 5.452 4.527 0.001 0.000 0.316 1359 F C -0.669 175.044 175.800 -0.145 0.000 1.164 1359 F CA -1.151 56.771 58.000 -0.130 0.000 0.924 1359 F CB 1.340 40.227 39.000 -0.189 0.000 1.348 1359 F HN 1.430 nan 8.300 nan 0.000 0.467 1360 A N 0.720 123.370 122.820 -0.283 0.000 2.605 1360 A HA 0.726 5.047 4.320 0.001 0.000 0.294 1360 A C -2.461 174.954 177.584 -0.281 0.000 1.062 1360 A CA -0.651 51.184 52.037 -0.336 0.000 0.682 1360 A CB 0.864 19.762 19.000 -0.170 0.000 1.278 1360 A HN 0.721 nan 8.150 nan 0.000 0.410 1361 F N 0.805 120.835 119.950 0.133 0.000 2.411 1361 F HA 0.636 5.163 4.527 0.001 0.000 0.352 1361 F C -0.071 175.842 175.800 0.188 0.000 1.123 1361 F CA -0.393 57.645 58.000 0.063 0.000 1.044 1361 F CB 1.794 40.807 39.000 0.022 0.000 1.135 1361 F HN 0.352 nan 8.300 nan 0.000 0.461 1362 L N 3.758 125.224 121.223 0.406 0.000 2.345 1362 L HA 0.439 4.779 4.340 0.001 0.000 0.274 1362 L C -0.910 176.136 176.870 0.294 0.000 0.999 1362 L CA -0.327 54.688 54.840 0.292 0.000 0.849 1362 L CB 1.476 43.668 42.059 0.221 0.000 1.220 1362 L HN 0.490 nan 8.230 nan 0.000 0.422 1363 D N 2.743 123.278 120.400 0.224 0.000 3.118 1363 D HA 0.398 5.039 4.640 0.001 0.000 0.286 1363 D C 0.659 177.032 176.300 0.122 0.000 1.255 1363 D CA 0.699 54.811 54.000 0.188 0.000 0.748 1363 D CB 0.667 41.594 40.800 0.212 0.000 1.332 1363 D HN 0.669 nan 8.370 nan 0.000 0.575 1364 G N 1.646 110.502 108.800 0.094 0.000 2.591 1364 G HA2 -0.391 3.570 3.960 0.001 0.000 0.298 1364 G HA3 -0.391 3.570 3.960 0.001 0.000 0.298 1364 G C 1.085 176.009 174.900 0.039 0.000 1.195 1364 G CA 0.393 45.528 45.100 0.057 0.000 0.989 1364 G HN 0.360 nan 8.290 nan 0.000 0.551 1365 E N 0.767 120.982 120.200 0.025 0.000 2.085 1365 E HA -0.134 4.216 4.350 0.001 0.000 0.194 1365 E C 1.821 178.419 176.600 -0.003 0.000 0.994 1365 E CA 1.317 57.718 56.400 0.001 0.000 0.801 1365 E CB -0.358 29.343 29.700 0.002 0.000 0.743 1365 E HN 0.409 nan 8.360 nan 0.000 0.453 1366 N N 1.068 119.796 118.700 0.047 0.000 3.243 1366 N HA -0.019 4.721 4.740 0.001 0.000 0.310 1366 N C -1.472 174.138 175.510 0.166 0.000 1.313 1366 N CA 0.065 53.175 53.050 0.100 0.000 1.204 1366 N CB -0.022 38.535 38.487 0.116 0.000 1.483 1366 N HN -0.203 nan 8.380 nan 0.000 0.553 1367 S N 0.688 116.424 115.700 0.060 0.000 2.473 1367 S HA 0.481 4.951 4.470 0.001 0.000 0.307 1367 S C -1.118 173.494 174.600 0.020 0.000 1.094 1367 S CA -0.589 57.681 58.200 0.117 0.000 1.070 1367 S CB 0.792 64.030 63.200 0.064 0.000 1.019 1367 S HN 0.347 nan 8.310 nan 0.000 0.480 1368 W N 2.695 124.103 121.300 0.180 0.000 2.785 1368 W HA 0.662 5.322 4.660 0.001 0.000 0.333 1368 W C -1.100 175.424 176.519 0.008 0.000 1.062 1368 W CA -0.643 56.806 57.345 0.173 0.000 1.233 1368 W CB 1.136 30.850 29.460 0.424 0.000 1.413 1368 W HN 0.332 nan 8.180 nan 0.000 0.489 1369 L N 3.064 124.357 121.223 0.117 0.000 2.362 1369 L HA 0.835 5.175 4.340 0.001 0.000 0.275 1369 L C 0.487 177.198 176.870 -0.266 0.000 0.998 1369 L CA -0.990 53.760 54.840 -0.152 0.000 0.820 1369 L CB 1.546 43.528 42.059 -0.129 0.000 1.270 1369 L HN 0.562 nan 8.230 nan 0.000 0.415 1370 G N 2.065 110.494 108.800 -0.618 0.000 2.410 1370 G HA2 0.839 4.799 3.960 0.001 0.000 0.330 1370 G HA3 0.839 4.799 3.960 0.001 0.000 0.330 1370 G C -0.952 173.637 174.900 -0.520 0.000 1.142 1370 G CA -0.479 44.312 45.100 -0.515 0.000 0.902 1370 G HN 0.795 nan 8.290 nan 0.000 0.491 1371 R N -1.063 118.905 120.500 -0.887 0.000 2.728 1371 R HA 0.543 4.883 4.340 0.001 0.000 0.274 1371 R C -0.321 175.442 176.300 -0.896 0.000 1.032 1371 R CA -0.714 54.977 56.100 -0.683 0.000 0.866 1371 R CB 0.273 30.375 30.300 -0.330 0.000 1.263 1371 R HN 0.686 nan 8.270 nan 0.000 0.475 1372 T N -0.573 113.748 114.554 -0.388 0.000 2.855 1372 T HA 0.213 4.564 4.350 0.001 0.000 0.314 1372 T C 1.487 176.095 174.700 -0.154 0.000 1.077 1372 T CA -0.522 61.475 62.100 -0.171 0.000 1.095 1372 T CB 0.461 69.353 68.868 0.040 0.000 0.987 1372 T HN 0.545 nan 8.240 nan 0.000 0.546 1373 I N 0.612 121.141 120.570 -0.067 0.000 2.277 1373 I HA -0.034 4.137 4.170 0.001 0.000 0.243 1373 I C 2.000 178.102 176.117 -0.024 0.000 1.094 1373 I CA 0.573 61.845 61.300 -0.047 0.000 1.393 1373 I CB -0.421 37.572 38.000 -0.012 0.000 1.078 1373 I HN 0.711 nan 8.210 nan 0.000 0.417 1374 S N 1.834 117.536 115.700 0.002 0.000 2.549 1374 S HA -0.022 4.449 4.470 0.001 0.000 0.283 1374 S C 1.265 175.875 174.600 0.017 0.000 1.320 1374 S CA -0.438 57.772 58.200 0.016 0.000 1.058 1374 S CB 0.589 63.816 63.200 0.045 0.000 0.882 1374 S HN 0.359 nan 8.310 nan 0.000 0.498 1375 K N 2.952 123.358 120.400 0.011 0.000 2.418 1375 K HA 0.032 4.352 4.320 0.001 0.000 0.195 1375 K C 0.094 176.710 176.600 0.028 0.000 1.035 1375 K CA 0.746 57.038 56.287 0.009 0.000 1.003 1375 K CB 0.039 32.537 32.500 -0.003 0.000 0.793 1375 K HN 0.500 nan 8.250 nan 0.000 0.494 1376 D N 1.266 121.692 120.400 0.043 0.000 2.338 1376 D HA -0.022 4.618 4.640 0.001 0.000 0.224 1376 D C 0.885 177.235 176.300 0.084 0.000 0.967 1376 D CA 0.785 54.819 54.000 0.056 0.000 0.896 1376 D CB 0.418 41.250 40.800 0.053 0.000 1.028 1376 D HN 0.323 nan 8.370 nan 0.000 0.493 1377 S N -0.713 115.057 115.700 0.117 0.000 2.709 1377 S HA 0.527 4.997 4.470 0.001 0.000 0.302 1377 S C -0.084 174.643 174.600 0.212 0.000 1.127 1377 S CA -0.937 57.367 58.200 0.172 0.000 0.905 1377 S CB 2.097 65.446 63.200 0.249 0.000 1.151 1377 S HN -0.155 nan 8.310 nan 0.000 0.510 1378 R N 1.264 121.920 120.500 0.261 0.000 4.576 1378 R HA 0.306 4.646 4.340 0.001 0.000 0.185 1378 R C -0.132 176.419 176.300 0.418 0.000 1.837 1378 R CA -0.031 56.248 56.100 0.298 0.000 1.520 1378 R CB -0.264 30.194 30.300 0.263 0.000 1.403 1378 R HN 0.572 nan 8.270 nan 0.000 0.831 1379 S N 0.232 116.117 115.700 0.308 0.000 2.521 1379 S HA 0.672 5.142 4.470 0.001 0.000 0.295 1379 S C 0.156 174.822 174.600 0.109 0.000 1.098 1379 S CA 0.113 58.427 58.200 0.190 0.000 0.999 1379 S CB 1.435 64.645 63.200 0.017 0.000 1.034 1379 S HN 0.712 nan 8.310 nan 0.000 0.483 1380 G N 2.446 111.306 108.800 0.098 0.000 2.888 1380 G HA2 -0.115 3.846 3.960 0.001 0.000 0.441 1380 G HA3 -0.115 3.846 3.960 0.001 0.000 0.441 1380 G C -1.206 173.833 174.900 0.232 0.000 1.461 1380 G CA 0.094 45.269 45.100 0.126 0.000 0.897 1380 G HN 1.479 nan 8.290 nan 0.000 0.547 1381 Y N 0.422 120.790 120.300 0.113 0.000 2.474 1381 Y HA 0.522 5.072 4.550 0.001 0.000 0.326 1381 Y C -0.399 175.569 175.900 0.112 0.000 1.160 1381 Y CA -0.183 57.990 58.100 0.121 0.000 1.056 1381 Y CB 1.505 40.070 38.460 0.175 0.000 1.330 1381 Y HN 1.011 nan 8.280 nan 0.000 0.447 1382 E N 5.222 125.337 120.200 -0.142 0.000 2.317 1382 E HA 0.586 4.937 4.350 0.001 0.000 0.270 1382 E C -1.577 175.003 176.600 -0.034 0.000 0.885 1382 E CA -1.295 55.115 56.400 0.017 0.000 0.760 1382 E CB 2.522 32.213 29.700 -0.015 0.000 1.227 1382 E HN 0.352 nan 8.360 nan 0.000 0.434 1383 M N 2.703 122.376 119.600 0.121 0.000 2.268 1383 M HA 0.441 4.921 4.480 0.001 0.000 0.344 1383 M C -0.955 175.581 176.300 0.393 0.000 1.106 1383 M CA -0.728 54.667 55.300 0.159 0.000 1.010 1383 M CB 0.942 33.556 32.600 0.022 0.000 1.649 1383 M HN 0.601 nan 8.290 nan 0.000 0.443 1384 L N 2.672 124.074 121.223 0.298 0.000 2.356 1384 L HA 0.518 4.859 4.340 0.001 0.000 0.277 1384 L C 0.051 176.831 176.870 -0.150 0.000 0.996 1384 L CA -0.707 54.191 54.840 0.096 0.000 0.822 1384 L CB 2.182 44.228 42.059 -0.022 0.000 1.256 1384 L HN 0.613 nan 8.230 nan 0.000 0.413 1385 K N 2.851 122.850 120.400 -0.669 0.000 2.285 1385 K HA 0.476 4.796 4.320 0.001 0.000 0.286 1385 K C -1.157 175.131 176.600 -0.521 0.000 1.072 1385 K CA -0.355 55.238 56.287 -1.158 0.000 0.913 1385 K CB 0.992 32.537 32.500 -1.592 0.000 1.067 1385 K HN 0.389 nan 8.250 nan 0.000 0.479 1386 V N 7.653 127.353 119.914 -0.357 0.000 2.320 1386 V HA 0.225 4.345 4.120 0.001 0.000 0.268 1386 V C -2.342 173.669 176.094 -0.138 0.000 1.021 1386 V CA -2.049 60.137 62.300 -0.190 0.000 0.813 1386 V CB 1.000 32.750 31.823 -0.123 0.000 1.054 1386 V HN 0.814 nan 8.190 nan 0.000 0.444 1387 P HA 0.087 nan 4.420 nan 0.000 0.261 1387 P C 0.566 177.840 177.300 -0.043 0.000 1.173 1387 P CA 0.641 63.693 63.100 -0.080 0.000 0.760 1387 P CB 0.189 31.845 31.700 -0.073 0.000 0.783 1388 N N 1.094 119.785 118.700 -0.015 0.000 2.741 1388 N HA -0.255 4.485 4.740 0.001 0.000 0.251 1388 N C 1.079 176.591 175.510 0.003 0.000 1.112 1388 N CA 1.123 54.174 53.050 0.002 0.000 0.750 1388 N CB -1.611 36.874 38.487 -0.002 0.000 1.119 1388 N HN 0.525 nan 8.380 nan 0.000 0.561 1389 A N 0.608 123.426 122.820 -0.002 0.000 1.958 1389 A HA -0.241 4.080 4.320 0.001 0.000 0.221 1389 A C 2.018 179.613 177.584 0.019 0.000 1.178 1389 A CA 2.120 54.156 52.037 -0.000 0.000 0.642 1389 A CB -0.382 18.614 19.000 -0.007 0.000 0.816 1389 A HN 0.578 nan 8.150 nan 0.000 0.453 1390 E N -0.957 119.264 120.200 0.035 0.000 2.427 1390 E HA -0.094 4.257 4.350 0.001 0.000 0.196 1390 E C 1.410 178.032 176.600 0.035 0.000 1.028 1390 E CA 1.393 57.818 56.400 0.043 0.000 0.864 1390 E CB 0.061 29.796 29.700 0.059 0.000 0.813 1390 E HN 0.770 nan 8.360 nan 0.000 0.514 1391 T N -3.134 111.436 114.554 0.026 0.000 3.009 1391 T HA 0.062 4.413 4.350 0.001 0.000 0.267 1391 T C -0.135 174.573 174.700 0.013 0.000 0.942 1391 T CA -0.310 61.803 62.100 0.022 0.000 0.883 1391 T CB 0.361 69.241 68.868 0.021 0.000 1.192 1391 T HN -0.024 nan 8.240 nan 0.000 0.524 1392 D N 1.819 122.223 120.400 0.007 0.000 2.425 1392 D HA 0.337 4.977 4.640 0.001 0.000 0.240 1392 D C 1.363 177.661 176.300 -0.004 0.000 1.080 1392 D CA -1.100 52.900 54.000 -0.000 0.000 0.836 1392 D CB 1.094 41.891 40.800 -0.005 0.000 1.125 1392 D HN 0.381 nan 8.370 nan 0.000 0.525 1393 I N 0.476 121.043 120.570 -0.005 0.000 2.916 1393 I HA -0.114 4.056 4.170 0.001 0.000 0.267 1393 I C 0.880 176.987 176.117 -0.017 0.000 1.263 1393 I CA 0.838 62.132 61.300 -0.010 0.000 1.471 1393 I CB -0.092 37.901 38.000 -0.012 0.000 1.089 1393 I HN 0.347 nan 8.210 nan 0.000 0.468 1394 Q N 1.708 121.498 119.800 -0.017 0.000 2.319 1394 Q HA 0.138 4.479 4.340 0.001 0.000 0.209 1394 Q C 0.715 176.701 176.000 -0.025 0.000 0.884 1394 Q CA 0.156 55.947 55.803 -0.021 0.000 0.938 1394 Q CB 0.427 29.154 28.738 -0.018 0.000 1.098 1394 Q HN 0.673 nan 8.270 nan 0.000 0.517 1395 S N 0.328 116.013 115.700 -0.025 0.000 2.575 1395 S HA 0.274 4.745 4.470 0.001 0.000 0.295 1395 S C 0.375 174.950 174.600 -0.042 0.000 1.267 1395 S CA -0.032 58.148 58.200 -0.034 0.000 1.074 1395 S CB 0.903 64.083 63.200 -0.033 0.000 0.829 1395 S HN 0.264 nan 8.310 nan 0.000 0.497 1396 G N 2.164 110.935 108.800 -0.049 0.000 2.788 1396 G HA2 0.718 4.679 3.960 0.001 0.000 0.293 1396 G HA3 0.718 4.679 3.960 0.001 0.000 0.293 1396 G C -3.282 171.573 174.900 -0.074 0.000 1.305 1396 G CA -2.119 42.948 45.100 -0.054 0.000 1.005 1396 G HN 0.578 nan 8.290 nan 0.000 0.496 1397 P HA 0.277 nan 4.420 nan 0.000 0.280 1397 P C 0.718 177.964 177.300 -0.090 0.000 1.244 1397 P CA -0.359 62.681 63.100 -0.100 0.000 0.784 1397 P CB 1.167 32.823 31.700 -0.073 0.000 0.913 1398 I N -0.212 120.285 120.570 -0.123 0.000 4.187 1398 I HA 0.265 4.436 4.170 0.001 0.000 0.326 1398 I C 0.201 176.271 176.117 -0.079 0.000 1.302 1398 I CA 0.013 61.258 61.300 -0.092 0.000 1.196 1398 I CB 0.385 38.325 38.000 -0.100 0.000 1.095 1398 I HN 0.280 nan 8.210 nan 0.000 0.411 1399 S N 1.619 117.249 115.700 -0.118 0.000 2.607 1399 S HA 0.559 5.029 4.470 0.001 0.000 0.273 1399 S C -1.235 173.383 174.600 0.030 0.000 1.148 1399 S CA -0.753 57.432 58.200 -0.024 0.000 0.833 1399 S CB 2.092 65.306 63.200 0.023 0.000 1.130 1399 S HN 0.542 nan 8.310 nan 0.000 0.470 1400 N N 0.578 119.377 118.700 0.165 0.000 2.396 1400 N HA 0.376 5.116 4.740 0.001 0.000 0.275 1400 N C -1.877 173.835 175.510 0.337 0.000 1.218 1400 N CA -0.541 52.657 53.050 0.248 0.000 0.812 1400 N CB 2.175 40.744 38.487 0.137 0.000 1.592 1400 N HN 0.837 nan 8.380 nan 0.000 0.480 1401 Q N 1.665 121.698 119.800 0.389 0.000 2.274 1401 Q HA 0.338 4.678 4.340 0.001 0.000 0.268 1401 Q C -1.466 174.709 176.000 0.292 0.000 1.015 1401 Q CA -0.742 55.273 55.803 0.353 0.000 0.775 1401 Q CB 2.056 31.067 28.738 0.454 0.000 1.256 1401 Q HN 0.504 nan 8.270 nan 0.000 0.442 1402 V N 6.237 126.301 119.914 0.250 0.000 2.479 1402 V HA 0.005 4.125 4.120 0.001 0.000 0.281 1402 V C 1.060 177.339 176.094 0.309 0.000 1.031 1402 V CA 0.250 62.692 62.300 0.236 0.000 1.038 1402 V CB 0.628 32.560 31.823 0.181 0.000 0.981 1402 V HN 0.837 nan 8.190 nan 0.000 0.478 1403 I N 5.069 125.856 120.570 0.361 0.000 2.731 1403 I HA 0.138 4.308 4.170 0.001 0.000 0.260 1403 I C 0.556 176.909 176.117 0.393 0.000 1.138 1403 I CA 1.248 62.811 61.300 0.438 0.000 1.461 1403 I CB 0.268 38.568 38.000 0.500 0.000 1.128 1403 I HN 0.336 nan 8.210 nan 0.000 0.438 1404 V N 3.161 123.277 119.914 0.338 0.000 2.623 1404 V HA 0.229 4.350 4.120 0.001 0.000 0.304 1404 V C -0.081 176.132 176.094 0.199 0.000 1.054 1404 V CA -1.123 61.343 62.300 0.276 0.000 0.882 1404 V CB 1.962 33.965 31.823 0.299 0.000 1.002 1404 V HN 0.412 nan 8.190 nan 0.000 0.424 1405 N N 2.949 121.738 118.700 0.148 0.000 2.399 1405 N HA 0.061 4.801 4.740 0.001 0.000 0.250 1405 N C 0.548 176.060 175.510 0.004 0.000 1.272 1405 N CA -0.438 52.653 53.050 0.069 0.000 0.928 1405 N CB 0.925 39.433 38.487 0.035 0.000 1.158 1405 N HN 0.744 nan 8.380 nan 0.000 0.463 1406 N N -0.378 118.306 118.700 -0.026 0.000 2.571 1406 N HA -0.104 4.636 4.740 0.001 0.000 0.189 1406 N C 0.193 175.598 175.510 -0.176 0.000 1.154 1406 N CA 0.242 53.247 53.050 -0.074 0.000 0.907 1406 N CB 0.179 38.636 38.487 -0.051 0.000 0.977 1406 N HN 0.538 nan 8.380 nan 0.000 0.449 1407 Q N -0.059 119.626 119.800 -0.192 0.000 2.320 1407 Q HA 0.210 4.550 4.340 0.001 0.000 0.201 1407 Q C -0.852 174.904 176.000 -0.407 0.000 0.910 1407 Q CA 0.245 55.879 55.803 -0.282 0.000 0.946 1407 Q CB 0.558 29.164 28.738 -0.220 0.000 1.062 1407 Q HN 0.260 nan 8.270 nan 0.000 0.503 1408 N N -1.327 117.155 118.700 -0.363 0.000 2.321 1408 N HA 0.436 5.177 4.740 0.001 0.000 0.290 1408 N C -1.508 173.823 175.510 -0.298 0.000 1.212 1408 N CA -0.734 52.098 53.050 -0.363 0.000 0.767 1408 N CB 1.104 39.512 38.487 -0.131 0.000 1.494 1408 N HN 0.055 nan 8.380 nan 0.000 0.479 1409 W N 0.900 122.245 121.300 0.075 0.000 2.261 1409 W HA 0.340 5.001 4.660 0.001 0.000 0.323 1409 W C 0.938 177.541 176.519 0.139 0.000 1.243 1409 W CA -0.317 57.083 57.345 0.093 0.000 1.210 1409 W CB 0.733 30.235 29.460 0.070 0.000 1.149 1409 W HN 0.551 nan 8.180 nan 0.000 0.562 1410 S N 1.568 117.529 115.700 0.435 0.000 4.225 1410 S HA 0.971 5.441 4.470 0.001 0.000 0.215 1410 S C 0.310 175.107 174.600 0.329 0.000 1.051 1410 S CA -0.092 58.322 58.200 0.356 0.000 1.729 1410 S CB 1.077 64.516 63.200 0.398 0.000 0.892 1410 S HN 0.952 nan 8.310 nan 0.000 0.720 1411 G N -0.613 108.392 108.800 0.340 0.000 2.441 1411 G HA2 0.299 4.259 3.960 0.001 0.000 0.222 1411 G HA3 0.299 4.259 3.960 0.001 0.000 0.222 1411 G C -1.720 173.449 174.900 0.448 0.000 1.254 1411 G CA -0.795 44.503 45.100 0.330 0.000 0.959 1411 G HN 0.516 nan 8.290 nan 0.000 0.474 1412 Y N 1.443 121.873 120.300 0.217 0.000 2.426 1412 Y HA 0.527 5.077 4.550 0.001 0.000 0.344 1412 Y C 1.263 177.251 175.900 0.147 0.000 1.256 1412 Y CA -0.351 57.879 58.100 0.217 0.000 1.451 1412 Y CB 1.066 39.682 38.460 0.259 0.000 1.342 1412 Y HN 0.906 nan 8.280 nan 0.000 0.600 1413 S N -0.095 115.694 115.700 0.149 0.000 2.541 1413 S HA 0.912 5.383 4.470 0.001 0.000 0.271 1413 S C -0.609 173.807 174.600 -0.307 0.000 1.133 1413 S CA -0.373 57.678 58.200 -0.247 0.000 0.876 1413 S CB 2.026 65.240 63.200 0.023 0.000 1.105 1413 S HN 1.060 nan 8.310 nan 0.000 0.470 1414 G N 0.009 108.237 108.800 -0.955 0.000 2.677 1414 G HA2 0.788 4.749 3.960 0.001 0.000 0.291 1414 G HA3 0.788 4.749 3.960 0.001 0.000 0.291 1414 G C -0.995 173.653 174.900 -0.420 0.000 1.435 1414 G CA -0.327 44.550 45.100 -0.371 0.000 0.826 1414 G HN 1.245 nan 8.290 nan 0.000 0.491 1415 A N -0.304 122.462 122.820 -0.091 0.000 2.282 1415 A HA 0.993 5.314 4.320 0.001 0.000 0.319 1415 A C -0.688 177.138 177.584 0.404 0.000 1.121 1415 A CA -0.533 51.519 52.037 0.025 0.000 0.836 1415 A CB 0.709 19.677 19.000 -0.052 0.000 1.146 1415 A HN 1.956 nan 8.150 nan 0.000 0.494 1416 F N -1.053 119.035 119.950 0.231 0.000 2.693 1416 F HA 0.820 5.347 4.527 0.001 0.000 0.309 1416 F C -1.489 174.386 175.800 0.126 0.000 1.129 1416 F CA -1.360 56.767 58.000 0.212 0.000 0.948 1416 F CB 1.028 40.140 39.000 0.187 0.000 1.315 1416 F HN 0.429 nan 8.300 nan 0.000 0.447 1417 I N 1.531 122.093 120.570 -0.013 0.000 2.686 1417 I HA 0.237 4.408 4.170 0.001 0.000 0.295 1417 I C -1.417 174.493 176.117 -0.344 0.000 1.114 1417 I CA -0.694 60.314 61.300 -0.486 0.000 1.038 1417 I CB 2.128 39.492 38.000 -1.059 0.000 1.238 1417 I HN 0.665 nan 8.210 nan 0.000 0.420 1418 D N 4.830 125.122 120.400 -0.180 0.000 2.517 1418 D HA 0.107 4.748 4.640 0.001 0.000 0.220 1418 D C 0.620 176.895 176.300 -0.040 0.000 1.158 1418 D CA 0.001 54.060 54.000 0.098 0.000 0.992 1418 D CB 0.180 41.073 40.800 0.155 0.000 1.058 1418 D HN 0.292 nan 8.370 nan 0.000 0.516 1419 Y N 0.927 121.166 120.300 -0.101 0.000 2.556 1419 Y HA -0.100 4.451 4.550 0.001 0.000 0.290 1419 Y C 1.393 177.035 175.900 -0.429 0.000 1.149 1419 Y CA 0.688 58.462 58.100 -0.545 0.000 1.329 1419 Y CB -0.002 37.731 38.460 -1.212 0.000 0.975 1419 Y HN 0.549 nan 8.280 nan 0.000 0.561 1420 W N -0.053 121.386 121.300 0.233 0.000 3.194 1420 W HA 0.556 5.217 4.660 0.001 0.000 0.408 1420 W C 0.592 177.192 176.519 0.135 0.000 1.072 1420 W CA -0.436 57.018 57.345 0.181 0.000 1.953 1420 W CB -0.499 29.031 29.460 0.117 0.000 1.091 1420 W HN -0.138 nan 8.180 nan 0.000 0.699 1421 A N 1.315 124.289 122.820 0.257 0.000 2.366 1421 A HA 0.034 4.354 4.320 0.001 0.000 0.249 1421 A C 0.577 178.245 177.584 0.141 0.000 1.084 1421 A CA -0.161 51.980 52.037 0.173 0.000 0.794 1421 A CB 0.106 19.177 19.000 0.119 0.000 1.034 1421 A HN 0.353 nan 8.150 nan 0.000 0.491 1422 N N 0.990 119.751 118.700 0.101 0.000 3.188 1422 N HA 0.223 4.964 4.740 0.001 0.000 0.279 1422 N C -0.557 174.980 175.510 0.045 0.000 1.213 1422 N CA 0.014 53.109 53.050 0.076 0.000 1.138 1422 N CB -0.129 38.397 38.487 0.065 0.000 1.417 1422 N HN 0.558 nan 8.380 nan 0.000 0.526 1423 K N 0.468 120.891 120.400 0.038 0.000 2.536 1423 K HA 0.146 4.466 4.320 0.001 0.000 0.269 1423 K C 0.232 176.815 176.600 -0.028 0.000 0.965 1423 K CA -0.583 55.707 56.287 0.004 0.000 0.860 1423 K CB 1.386 33.889 32.500 0.006 0.000 1.423 1423 K HN 0.319 nan 8.250 nan 0.000 0.438 1424 E N -0.215 119.953 120.200 -0.054 0.000 2.474 1424 E HA 0.085 4.436 4.350 0.001 0.000 0.195 1424 E C 0.101 176.602 176.600 -0.165 0.000 1.039 1424 E CA -0.214 56.130 56.400 -0.093 0.000 0.881 1424 E CB 0.090 29.751 29.700 -0.066 0.000 0.970 1424 E HN 0.498 nan 8.360 nan 0.000 0.486 1425 c N -0.676 117.829 118.600 -0.158 0.000 2.889 1425 c HA 0.720 5.290 4.570 0.001 0.000 0.307 1425 c C -0.557 173.443 174.090 -0.151 0.000 1.251 1425 c CA -1.378 54.828 56.329 -0.206 0.000 1.593 1425 c CB 0.347 42.795 42.510 -0.104 0.000 2.104 1425 c HN 0.043 nan 8.230 nan 0.000 0.476 1426 F N 2.502 122.441 119.950 -0.019 0.000 2.424 1426 F HA 0.372 4.899 4.527 0.001 0.000 0.356 1426 F C 0.919 176.630 175.800 -0.149 0.000 1.110 1426 F CA -0.353 57.601 58.000 -0.076 0.000 1.161 1426 F CB 0.199 39.198 39.000 -0.002 0.000 1.115 1426 F HN 0.729 nan 8.300 nan 0.000 0.507 1427 N N 5.294 123.983 118.700 -0.018 0.000 2.426 1427 N HA 0.281 5.021 4.740 0.001 0.000 0.257 1427 N C -2.723 172.593 175.510 -0.323 0.000 1.002 1427 N CA -1.672 51.283 53.050 -0.159 0.000 0.942 1427 N CB 1.161 39.575 38.487 -0.122 0.000 1.112 1427 N HN 0.147 nan 8.380 nan 0.000 0.499 1428 P HA 0.019 nan 4.420 nan 0.000 0.264 1428 P C -0.629 176.384 177.300 -0.479 0.000 1.183 1428 P CA -0.096 62.454 63.100 -0.916 0.000 0.763 1428 P CB 0.526 31.310 31.700 -1.527 0.000 0.807 1429 c N 3.197 121.510 118.600 -0.478 0.000 3.044 1429 c HA 0.877 5.447 4.570 0.001 0.000 0.315 1429 c C -0.494 173.396 174.090 -0.332 0.000 1.320 1429 c CA -0.352 55.657 56.329 -0.533 0.000 1.582 1429 c CB 1.070 42.788 42.510 -1.321 0.000 2.039 1429 c HN 0.688 nan 8.230 nan 0.000 0.466 1430 F N -0.316 119.377 119.950 -0.428 0.000 2.741 1430 F HA 0.752 5.280 4.527 0.001 0.000 0.311 1430 F C -1.280 174.474 175.800 -0.076 0.000 1.149 1430 F CA -1.172 56.584 58.000 -0.407 0.000 0.930 1430 F CB 0.756 39.094 39.000 -1.104 0.000 1.312 1430 F HN 0.746 nan 8.300 nan 0.000 0.450 1431 Y N 0.005 120.244 120.300 -0.102 0.000 2.633 1431 Y HA 0.921 5.471 4.550 0.001 0.000 0.339 1431 Y C -1.954 173.911 175.900 -0.058 0.000 1.045 1431 Y CA -1.891 56.111 58.100 -0.163 0.000 1.098 1431 Y CB 1.726 40.153 38.460 -0.054 0.000 1.296 1431 Y HN 0.603 nan 8.280 nan 0.000 0.494 1432 V N 1.482 121.421 119.914 0.042 0.000 2.686 1432 V HA 0.274 4.395 4.120 0.001 0.000 0.306 1432 V C -0.782 175.465 176.094 0.256 0.000 1.065 1432 V CA -1.030 61.273 62.300 0.006 0.000 0.894 1432 V CB 1.631 33.380 31.823 -0.122 0.000 1.004 1432 V HN 0.878 nan 8.190 nan 0.000 0.424 1433 E N 4.596 124.991 120.200 0.324 0.000 2.223 1433 E HA 0.376 4.727 4.350 0.001 0.000 0.282 1433 E C -1.129 175.609 176.600 0.230 0.000 1.046 1433 E CA -0.524 56.051 56.400 0.292 0.000 0.857 1433 E CB 0.846 30.734 29.700 0.314 0.000 1.055 1433 E HN 0.639 nan 8.360 nan 0.000 0.409 1434 L N 7.043 128.388 121.223 0.202 0.000 2.315 1434 L HA 0.343 4.684 4.340 0.001 0.000 0.278 1434 L C 0.056 177.042 176.870 0.194 0.000 1.088 1434 L CA -0.436 54.533 54.840 0.216 0.000 0.899 1434 L CB 0.155 42.340 42.059 0.211 0.000 1.277 1434 L HN 0.513 nan 8.230 nan 0.000 0.431 1435 I N 4.012 124.695 120.570 0.188 0.000 2.471 1435 I HA 0.171 4.341 4.170 0.001 0.000 0.286 1435 I C 0.359 176.540 176.117 0.105 0.000 1.079 1435 I CA -0.058 61.311 61.300 0.116 0.000 1.398 1435 I CB 0.247 38.279 38.000 0.053 0.000 1.403 1435 I HN 0.522 nan 8.210 nan 0.000 0.530 1436 R N 4.315 124.880 120.500 0.108 0.000 2.832 1436 R HA 0.790 5.130 4.340 0.001 0.000 0.271 1436 R C 0.272 176.526 176.300 -0.076 0.000 0.996 1436 R CA -0.423 55.718 56.100 0.068 0.000 0.977 1436 R CB 1.432 31.859 30.300 0.212 0.000 1.168 1436 R HN 0.877 nan 8.270 nan 0.000 0.482 1437 G N 1.288 109.853 108.800 -0.391 0.000 2.508 1437 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 1437 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 1437 G C -0.755 173.877 174.900 -0.446 0.000 1.287 1437 G CA -0.642 44.063 45.100 -0.659 0.000 0.916 1437 G HN 0.500 nan 8.290 nan 0.000 0.574 1438 R N 1.325 121.604 120.500 -0.368 0.000 2.641 1438 R HA 0.344 4.684 4.340 0.001 0.000 0.269 1438 R C -1.197 174.967 176.300 -0.227 0.000 1.074 1438 R CA -0.647 55.289 56.100 -0.272 0.000 1.133 1438 R CB 0.862 31.043 30.300 -0.198 0.000 1.029 1438 R HN 0.427 nan 8.270 nan 0.000 0.488 1439 P HA 0.036 nan 4.420 nan 0.000 0.257 1439 P C 0.118 177.255 177.300 -0.272 0.000 1.241 1439 P CA 0.525 63.502 63.100 -0.206 0.000 0.816 1439 P CB 0.476 32.092 31.700 -0.141 0.000 1.150 1440 K N 0.618 120.760 120.400 -0.430 0.000 2.288 1440 K HA 0.002 4.322 4.320 0.001 0.000 0.201 1440 K C 0.553 176.910 176.600 -0.406 0.000 1.048 1440 K CA 0.825 56.776 56.287 -0.560 0.000 0.956 1440 K CB 0.120 31.833 32.500 -1.313 0.000 0.746 1440 K HN 0.403 nan 8.250 nan 0.000 0.461 1441 E N 0.916 120.881 120.200 -0.392 0.000 2.683 1441 E HA 0.078 4.429 4.350 0.001 0.000 0.224 1441 E C -0.095 176.336 176.600 -0.282 0.000 1.046 1441 E CA -0.173 56.065 56.400 -0.270 0.000 0.811 1441 E CB 1.016 30.543 29.700 -0.289 0.000 1.296 1441 E HN 0.049 nan 8.360 nan 0.000 0.421 1442 S N -0.166 115.415 115.700 -0.199 0.000 2.631 1442 S HA -0.079 4.392 4.470 0.001 0.000 0.217 1442 S C 1.696 176.200 174.600 -0.160 0.000 0.958 1442 S CA 0.078 58.167 58.200 -0.185 0.000 0.920 1442 S CB 0.012 63.136 63.200 -0.127 0.000 0.776 1442 S HN 0.310 nan 8.310 nan 0.000 0.517 1443 S N 1.103 116.714 115.700 -0.149 0.000 2.561 1443 S HA 0.151 4.621 4.470 0.001 0.000 0.225 1443 S C 0.693 175.211 174.600 -0.137 0.000 0.977 1443 S CA 0.126 58.263 58.200 -0.105 0.000 0.926 1443 S CB -0.851 62.313 63.200 -0.059 0.000 0.769 1443 S HN 0.713 nan 8.310 nan 0.000 0.533 1444 V N -2.096 117.645 119.914 -0.288 0.000 3.019 1444 V HA 0.590 4.711 4.120 0.001 0.000 0.317 1444 V C 0.757 176.606 176.094 -0.408 0.000 1.094 1444 V CA -1.106 60.945 62.300 -0.414 0.000 1.000 1444 V CB 1.353 32.605 31.823 -0.953 0.000 1.060 1444 V HN 0.179 nan 8.190 nan 0.000 0.443 1445 L N 0.739 121.785 121.223 -0.294 0.000 2.585 1445 L HA 0.279 4.620 4.340 0.001 0.000 0.226 1445 L C 0.683 177.524 176.870 -0.049 0.000 1.113 1445 L CA 0.042 54.815 54.840 -0.111 0.000 0.876 1445 L CB -0.012 42.062 42.059 0.025 0.000 1.072 1445 L HN 0.789 nan 8.230 nan 0.000 0.468 1446 W N -1.079 120.189 121.300 -0.054 0.000 2.594 1446 W HA 0.652 5.313 4.660 0.001 0.000 0.365 1446 W C -0.735 175.732 176.519 -0.087 0.000 1.196 1446 W CA -0.769 56.540 57.345 -0.060 0.000 1.258 1446 W CB 0.544 29.964 29.460 -0.067 0.000 1.405 1446 W HN -0.384 nan 8.180 nan 0.000 0.640 1447 T N 1.451 116.201 114.554 0.326 0.000 2.921 1447 T HA 0.430 4.781 4.350 0.001 0.000 0.297 1447 T C -0.926 173.951 174.700 0.294 0.000 1.013 1447 T CA -0.210 62.026 62.100 0.227 0.000 0.990 1447 T CB 2.065 70.966 68.868 0.056 0.000 1.023 1447 T HN 0.534 nan 8.240 nan 0.000 0.447 1448 S N 2.196 118.083 115.700 0.312 0.000 2.790 1448 S HA 0.822 5.292 4.470 0.001 0.000 0.292 1448 S C -1.603 173.066 174.600 0.114 0.000 1.197 1448 S CA -0.744 57.535 58.200 0.131 0.000 0.851 1448 S CB 1.323 64.506 63.200 -0.029 0.000 1.217 1448 S HN 1.000 nan 8.310 nan 0.000 0.526 1449 N N -0.875 117.862 118.700 0.063 0.000 2.934 1449 N HA 0.682 5.422 4.740 0.001 0.000 0.253 1449 N C -1.243 174.313 175.510 0.076 0.000 1.466 1449 N CA -0.474 52.630 53.050 0.089 0.000 0.858 1449 N CB 1.482 40.023 38.487 0.089 0.000 1.459 1449 N HN 0.666 nan 8.380 nan 0.000 0.532 1450 S N -0.715 115.050 115.700 0.108 0.000 2.745 1450 S HA 0.757 5.228 4.470 0.001 0.000 0.306 1450 S C -0.828 173.846 174.600 0.124 0.000 1.137 1450 S CA -0.876 57.387 58.200 0.104 0.000 0.900 1450 S CB 0.789 64.052 63.200 0.106 0.000 1.176 1450 S HN 0.569 nan 8.310 nan 0.000 0.520 1451 I N 0.576 121.213 120.570 0.112 0.000 2.689 1451 I HA 0.714 4.885 4.170 0.001 0.000 0.299 1451 I C -1.098 175.052 176.117 0.055 0.000 1.059 1451 I CA -1.129 60.227 61.300 0.094 0.000 1.055 1451 I CB 2.090 40.122 38.000 0.053 0.000 1.243 1451 I HN 0.514 nan 8.210 nan 0.000 0.425 1452 V N 4.460 124.396 119.914 0.036 0.000 2.789 1452 V HA 0.933 5.054 4.120 0.001 0.000 0.311 1452 V C -1.105 174.906 176.094 -0.138 0.000 1.073 1452 V CA -0.189 62.067 62.300 -0.074 0.000 0.921 1452 V CB 1.915 33.700 31.823 -0.064 0.000 1.009 1452 V HN 0.890 nan 8.190 nan 0.000 0.426 1453 A N 5.887 128.559 122.820 -0.247 0.000 2.475 1453 A HA 0.984 5.305 4.320 0.001 0.000 0.301 1453 A C -1.850 175.466 177.584 -0.447 0.000 1.059 1453 A CA -0.548 51.326 52.037 -0.271 0.000 0.710 1453 A CB 1.778 20.764 19.000 -0.023 0.000 1.288 1453 A HN 0.863 nan 8.150 nan 0.000 0.408 1454 L N -0.124 120.684 121.223 -0.691 0.000 2.409 1454 L HA 0.778 5.119 4.340 0.001 0.000 0.255 1454 L C -0.632 175.948 176.870 -0.484 0.000 1.027 1454 L CA -0.270 54.209 54.840 -0.602 0.000 0.834 1454 L CB 2.144 43.884 42.059 -0.532 0.000 1.426 1454 L HN 0.777 nan 8.230 nan 0.000 0.411 1455 c N -0.139 118.192 118.600 -0.449 0.000 2.898 1455 c HA 0.789 5.359 4.570 0.001 0.000 0.304 1455 c C 0.599 174.520 174.090 -0.282 0.000 1.237 1455 c CA -0.960 55.160 56.329 -0.350 0.000 1.529 1455 c CB 1.726 43.950 42.510 -0.476 0.000 2.021 1455 c HN 0.956 nan 8.230 nan 0.000 0.474 1456 G N 1.338 109.936 108.800 -0.337 0.000 2.554 1456 G HA2 0.459 4.419 3.960 0.001 0.000 0.238 1456 G HA3 0.459 4.419 3.960 0.001 0.000 0.238 1456 G C -0.297 174.399 174.900 -0.340 0.000 1.259 1456 G CA 0.260 44.886 45.100 -0.790 0.000 0.843 1456 G HN 0.916 nan 8.290 nan 0.000 0.582 1457 S N -0.251 115.224 115.700 -0.376 0.000 2.548 1457 S HA 0.373 4.844 4.470 0.001 0.000 0.286 1457 S C 0.860 175.351 174.600 -0.180 0.000 1.098 1457 S CA -0.758 57.352 58.200 -0.151 0.000 0.930 1457 S CB 1.956 65.136 63.200 -0.033 0.000 1.070 1457 S HN 0.631 nan 8.310 nan 0.000 0.480 1458 K N 1.570 121.905 120.400 -0.108 0.000 2.296 1458 K HA 0.114 4.434 4.320 0.001 0.000 0.200 1458 K C 0.353 176.926 176.600 -0.044 0.000 1.048 1458 K CA 0.628 56.870 56.287 -0.075 0.000 0.966 1458 K CB 0.044 32.510 32.500 -0.056 0.000 0.754 1458 K HN 0.407 nan 8.250 nan 0.000 0.466 1459 K N 0.995 121.371 120.400 -0.041 0.000 2.118 1459 K HA 0.141 4.461 4.320 0.001 0.000 0.240 1459 K C -0.049 176.550 176.600 -0.001 0.000 1.035 1459 K CA -0.260 56.017 56.287 -0.018 0.000 0.899 1459 K CB 0.514 33.003 32.500 -0.018 0.000 1.085 1459 K HN -0.005 nan 8.250 nan 0.000 0.498 1460 R N 1.840 122.350 120.500 0.018 0.000 2.287 1460 R HA 0.307 4.647 4.340 0.001 0.000 0.327 1460 R C -0.150 176.178 176.300 0.047 0.000 1.109 1460 R CA -0.324 55.802 56.100 0.042 0.000 1.013 1460 R CB -0.301 30.029 30.300 0.050 0.000 1.126 1460 R HN 0.383 nan 8.270 nan 0.000 0.503 1461 L N 1.037 122.296 121.223 0.060 0.000 2.343 1461 L HA 0.428 4.768 4.340 0.001 0.000 0.275 1461 L C 1.379 178.304 176.870 0.091 0.000 1.056 1461 L CA -0.686 54.195 54.840 0.069 0.000 0.804 1461 L CB 1.253 43.367 42.059 0.091 0.000 1.203 1461 L HN 0.525 nan 8.230 nan 0.000 0.440 1462 G N 0.896 109.735 108.800 0.065 0.000 2.684 1462 G HA2 0.418 4.379 3.960 0.001 0.000 0.255 1462 G HA3 0.418 4.379 3.960 0.001 0.000 0.255 1462 G C -0.306 174.659 174.900 0.110 0.000 1.219 1462 G CA 0.025 45.163 45.100 0.064 0.000 0.901 1462 G HN 0.698 nan 8.290 nan 0.000 0.548 1463 S N -0.898 114.875 115.700 0.121 0.000 2.638 1463 S HA 0.798 5.268 4.470 0.001 0.000 0.274 1463 S C -1.246 173.483 174.600 0.216 0.000 1.157 1463 S CA -0.742 57.586 58.200 0.213 0.000 0.826 1463 S CB 1.949 65.324 63.200 0.292 0.000 1.139 1463 S HN 1.511 nan 8.310 nan 0.000 0.474 1464 W N -0.153 121.107 121.300 -0.068 0.000 3.039 1464 W HA 0.794 5.454 4.660 0.001 0.000 0.354 1464 W C -0.678 175.671 176.519 -0.283 0.000 1.206 1464 W CA -1.341 55.888 57.345 -0.193 0.000 1.134 1464 W CB 0.501 29.789 29.460 -0.287 0.000 1.493 1464 W HN 0.834 nan 8.180 nan 0.000 0.591 1465 S N 0.082 115.689 115.700 -0.155 0.000 2.548 1465 S HA 0.322 4.792 4.470 0.001 0.000 0.277 1465 S C -1.137 173.095 174.600 -0.613 0.000 1.315 1465 S CA -0.171 57.927 58.200 -0.169 0.000 1.050 1465 S CB 0.027 63.277 63.200 0.083 0.000 0.918 1465 S HN 0.394 nan 8.310 nan 0.000 0.497 1466 W N 5.057 126.254 121.300 -0.172 0.000 1.948 1466 W HA 0.284 4.944 4.660 0.001 0.000 0.335 1466 W C 0.461 176.866 176.519 -0.190 0.000 0.753 1466 W CA -0.907 56.272 57.345 -0.276 0.000 2.601 1466 W CB -0.240 29.169 29.460 -0.084 0.000 2.143 1466 W HN 0.816 nan 8.180 nan 0.000 0.636 1467 H N -2.474 116.634 119.070 0.064 0.000 2.703 1467 H HA 0.075 4.631 4.556 0.001 0.000 0.377 1467 H C 1.357 176.746 175.328 0.101 0.000 1.392 1467 H CA 0.227 56.323 56.048 0.081 0.000 1.458 1467 H CB 0.743 30.510 29.762 0.009 0.000 1.529 1467 H HN 0.097 nan 8.280 nan 0.000 0.619 1468 D N -0.167 120.397 120.400 0.273 0.000 2.116 1468 D HA -0.143 4.497 4.640 0.001 0.000 0.193 1468 D C 1.815 178.237 176.300 0.204 0.000 0.998 1468 D CA 3.001 57.131 54.000 0.216 0.000 0.836 1468 D CB -0.521 40.413 40.800 0.223 0.000 0.951 1468 D HN 0.984 nan 8.370 nan 0.000 0.449 1469 G N -1.058 107.902 108.800 0.267 0.000 2.175 1469 G HA2 -0.166 3.794 3.960 0.001 0.000 0.244 1469 G HA3 -0.166 3.794 3.960 0.001 0.000 0.244 1469 G C 0.354 175.368 174.900 0.189 0.000 0.982 1469 G CA 0.504 45.738 45.100 0.223 0.000 0.641 1469 G HN 0.780 nan 8.290 nan 0.000 0.527 1470 A N 0.043 122.991 122.820 0.215 0.000 2.302 1470 A HA 0.685 5.005 4.320 0.001 0.000 0.285 1470 A C 0.208 177.918 177.584 0.210 0.000 1.105 1470 A CA -0.269 51.928 52.037 0.268 0.000 0.816 1470 A CB 0.569 19.791 19.000 0.369 0.000 1.067 1470 A HN 0.235 nan 8.150 nan 0.000 0.489 1471 E N 1.885 122.190 120.200 0.175 0.000 2.081 1471 E HA 0.175 4.525 4.350 0.001 0.000 0.276 1471 E C 0.220 176.881 176.600 0.102 0.000 0.950 1471 E CA -0.368 56.002 56.400 -0.049 0.000 0.776 1471 E CB 1.520 30.877 29.700 -0.572 0.000 1.094 1471 E HN 0.619 nan 8.360 nan 0.000 0.402 1472 I N 3.776 124.431 120.570 0.142 0.000 2.614 1472 I HA -0.181 3.990 4.170 0.001 0.000 0.258 1472 I C 1.893 178.149 176.117 0.232 0.000 1.189 1472 I CA 0.805 62.255 61.300 0.250 0.000 1.462 1472 I CB -0.001 38.059 38.000 0.101 0.000 1.092 1472 I HN 0.612 nan 8.210 nan 0.000 0.442 1473 I N -0.768 119.839 120.570 0.062 0.000 2.493 1473 I HA -0.334 3.836 4.170 0.001 0.000 0.254 1473 I C 1.939 178.160 176.117 0.172 0.000 1.160 1473 I CA 1.433 62.769 61.300 0.060 0.000 1.445 1473 I CB -0.204 37.774 38.000 -0.037 0.000 1.086 1473 I HN 0.261 nan 8.210 nan 0.000 0.433 1474 Y N -0.430 119.945 120.300 0.124 0.000 2.333 1474 Y HA -0.233 4.318 4.550 0.001 0.000 0.290 1474 Y C 1.834 177.690 175.900 -0.074 0.000 1.144 1474 Y CA 0.643 58.733 58.100 -0.017 0.000 1.228 1474 Y CB -0.122 38.261 38.460 -0.128 0.000 0.985 1474 Y HN 0.144 nan 8.280 nan 0.000 0.542 1475 F N 0.060 120.174 119.950 0.274 0.000 2.789 1475 F HA 0.050 4.578 4.527 0.001 0.000 0.300 1475 F C 0.978 176.890 175.800 0.185 0.000 1.132 1475 F CA -0.058 58.099 58.000 0.261 0.000 1.404 1475 F CB -0.105 39.143 39.000 0.414 0.000 1.114 1475 F HN -0.022 nan 8.300 nan 0.000 0.584 1476 E N 0.000 120.376 120.200 0.293 0.000 2.725 1476 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1476 E CA 0.000 56.504 56.400 0.174 0.000 0.976 1476 E CB 0.000 29.769 29.700 0.115 0.000 0.812 1476 E HN 0.000 nan 8.360 nan 0.000 0.440