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 3mmi_1_B DATA FIRST_RESID 1101 DATA SEQUENCE NPDLLELLMD LNCYTLEVTE GYLKKVNVTE VNGDNVLGPI HVITTVVSSL DATA SEQUENCE VRNGLLIQSS KFISKVLLTV ESIVMSLPKD ETMLGGIFWL SNLSRLPAFA DATA SEQUENCE ANQKTLYXXX XXXXKDKLTL IYLNDLENET LKVFDKIYST WLVKFMKHAS DATA SEQUENCE AHIEIFDMVL NEKLFKNSGD EKFAKLFTFL NEFDAVLCKF QVVDSMHTKI DATA SEQUENCE FNDTLKYLNV MLFNDLITKC PALNWKYGYE VDRNIERLVS WFEPRIEDVR DATA SEQUENCE PNLIQIIQAV KILQLKISNL NEFKLLFDFW YALNPAQIQA ILLKYKPANX DATA SEQUENCE XXAGVPNEIL NYLANVIKRE NLSLPGKMEI MLSAQFDSAK NHLRYXXXXX DATA SEQUENCE XXXXXXXGLA TVSKIIKL 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 1101 N HA 0.000 nan 4.740 nan 0.000 0.220 1101 N C 0.000 175.503 175.510 -0.012 0.000 1.280 1101 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 1101 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 1102 P HA -0.075 nan 4.420 nan 0.000 0.226 1102 P C 0.463 177.760 177.300 -0.005 0.000 1.146 1102 P CA 1.026 64.122 63.100 -0.006 0.000 0.773 1102 P CB 0.587 32.285 31.700 -0.004 0.000 0.772 1103 D N -0.986 119.410 120.400 -0.007 0.000 2.224 1103 D HA -0.078 4.581 4.640 0.033 0.000 0.205 1103 D C 1.740 178.035 176.300 -0.008 0.000 0.965 1103 D CA 0.560 54.557 54.000 -0.005 0.000 0.852 1103 D CB -0.448 40.348 40.800 -0.006 0.000 0.947 1103 D HN 0.098 nan 8.370 nan 0.000 0.494 1104 L N -0.080 121.134 121.223 -0.016 0.000 2.145 1104 L HA 0.049 4.409 4.340 0.033 0.000 0.201 1104 L C 1.875 178.729 176.870 -0.028 0.000 1.075 1104 L CA 0.996 55.819 54.840 -0.028 0.000 0.773 1104 L CB -0.497 41.541 42.059 -0.035 0.000 0.936 1104 L HN 0.007 nan 8.230 nan 0.000 0.451 1105 L N 0.263 121.474 121.223 -0.020 0.000 1.990 1105 L HA -0.304 4.056 4.340 0.033 0.000 0.213 1105 L C 2.538 179.410 176.870 0.002 0.000 1.072 1105 L CA 2.504 57.336 54.840 -0.013 0.000 0.755 1105 L CB -0.689 41.364 42.059 -0.010 0.000 0.889 1105 L HN 0.597 nan 8.230 nan 0.000 0.432 1106 E N -0.170 120.034 120.200 0.006 0.000 2.086 1106 E HA -0.297 4.073 4.350 0.033 0.000 0.200 1106 E C 2.415 179.036 176.600 0.035 0.000 1.012 1106 E CA 1.795 58.205 56.400 0.017 0.000 0.812 1106 E CB -0.215 29.492 29.700 0.012 0.000 0.743 1106 E HN 0.491 nan 8.360 nan 0.000 0.453 1107 L N 0.372 121.613 121.223 0.030 0.000 1.994 1107 L HA -0.199 4.161 4.340 0.033 0.000 0.208 1107 L C 2.532 179.478 176.870 0.126 0.000 1.071 1107 L CA 1.180 56.055 54.840 0.058 0.000 0.745 1107 L CB -0.202 41.864 42.059 0.012 0.000 0.892 1107 L HN 0.304 nan 8.230 nan 0.000 0.431 1108 L N -1.148 120.096 121.223 0.035 0.000 2.261 1108 L HA -0.254 4.106 4.340 0.033 0.000 0.216 1108 L C 2.321 179.304 176.870 0.189 0.000 1.114 1108 L CA 1.165 56.023 54.840 0.030 0.000 0.777 1108 L CB -0.345 41.659 42.059 -0.092 0.000 0.910 1108 L HN 0.402 nan 8.230 nan 0.000 0.440 1109 M N -1.219 118.452 119.600 0.119 0.000 2.541 1109 M HA -0.018 4.482 4.480 0.033 0.000 0.252 1109 M C 0.287 176.635 176.300 0.080 0.000 1.125 1109 M CA 0.416 55.771 55.300 0.091 0.000 1.091 1109 M CB 0.147 32.773 32.600 0.044 0.000 1.420 1109 M HN -0.041 nan 8.290 nan 0.000 0.486 1110 D N 1.055 121.514 120.400 0.099 0.000 2.558 1110 D HA 0.120 4.780 4.640 0.033 0.000 0.221 1110 D C 0.865 177.106 176.300 -0.099 0.000 1.143 1110 D CA 0.089 54.105 54.000 0.026 0.000 1.010 1110 D CB 0.146 40.966 40.800 0.034 0.000 1.068 1110 D HN 0.166 nan 8.370 nan 0.000 0.511 1111 L N 2.259 123.388 121.223 -0.156 0.000 1.956 1111 L HA -0.235 4.125 4.340 0.033 0.000 0.216 1111 L C 2.186 178.733 176.870 -0.538 0.000 1.073 1111 L CA 1.186 55.788 54.840 -0.396 0.000 0.762 1111 L CB -0.343 41.634 42.059 -0.137 0.000 0.889 1111 L HN 0.444 nan 8.230 nan 0.000 0.433 1112 N N -0.913 117.640 118.700 -0.245 0.000 2.182 1112 N HA -0.305 4.455 4.740 0.033 0.000 0.192 1112 N C 1.873 177.275 175.510 -0.180 0.000 1.007 1112 N CA 1.778 54.729 53.050 -0.164 0.000 0.873 1112 N CB -0.457 37.980 38.487 -0.082 0.000 0.998 1112 N HN 0.555 nan 8.380 nan 0.000 0.436 1113 C N 1.275 120.451 119.300 -0.206 0.000 2.496 1113 C HA -0.148 4.332 4.460 0.033 0.000 0.281 1113 C C 2.806 177.766 174.990 -0.049 0.000 1.250 1113 C CA 1.127 60.093 59.018 -0.087 0.000 1.717 1113 C CB -1.387 26.351 27.740 -0.004 0.000 2.082 1113 C HN 0.591 nan 8.230 nan 0.000 0.472 1114 Y N 1.364 121.674 120.300 0.017 0.000 2.263 1114 Y HA 0.021 4.591 4.550 0.034 0.000 0.292 1114 Y C 2.706 178.675 175.900 0.114 0.000 1.130 1114 Y CA 1.748 59.858 58.100 0.017 0.000 1.179 1114 Y CB -1.824 36.587 38.460 -0.081 0.000 0.998 1114 Y HN 0.397 nan 8.280 nan 0.000 0.532 1115 T N 0.164 114.686 114.554 -0.052 0.000 2.737 1115 T HA -0.174 4.196 4.350 0.033 0.000 0.265 1115 T C 1.821 176.613 174.700 0.154 0.000 1.038 1115 T CA 1.642 63.898 62.100 0.259 0.000 1.144 1115 T CB -0.746 68.298 68.868 0.294 0.000 0.866 1115 T HN 0.405 nan 8.240 nan 0.000 0.434 1116 L N 1.067 122.321 121.223 0.052 0.000 2.127 1116 L HA -0.032 4.328 4.340 0.033 0.000 0.211 1116 L C 2.900 179.821 176.870 0.084 0.000 1.089 1116 L CA 2.128 56.997 54.840 0.048 0.000 0.757 1116 L CB -0.524 41.544 42.059 0.016 0.000 0.899 1116 L HN 0.522 nan 8.230 nan 0.000 0.434 1117 E N -0.423 119.841 120.200 0.107 0.000 2.107 1117 E HA -0.172 4.198 4.350 0.033 0.000 0.191 1117 E C 2.187 178.899 176.600 0.188 0.000 0.982 1117 E CA 1.248 57.725 56.400 0.129 0.000 0.809 1117 E CB 0.130 29.902 29.700 0.120 0.000 0.756 1117 E HN 0.268 nan 8.360 nan 0.000 0.459 1118 V N 1.176 121.236 119.914 0.244 0.000 2.307 1118 V HA -0.237 3.903 4.120 0.033 0.000 0.245 1118 V C 2.698 178.940 176.094 0.246 0.000 1.045 1118 V CA 2.231 64.722 62.300 0.318 0.000 1.024 1118 V CB -0.623 31.458 31.823 0.430 0.000 0.651 1118 V HN 0.600 nan 8.190 nan 0.000 0.449 1119 T N -2.240 112.407 114.554 0.155 0.000 2.814 1119 T HA -0.081 4.289 4.350 0.033 0.000 0.254 1119 T C 1.695 176.425 174.700 0.051 0.000 1.037 1119 T CA 0.991 63.130 62.100 0.064 0.000 1.143 1119 T CB -0.239 68.631 68.868 0.002 0.000 0.866 1119 T HN 0.393 nan 8.240 nan 0.000 0.431 1120 E N 1.343 121.579 120.200 0.060 0.000 2.170 1120 E HA 0.131 4.501 4.350 0.033 0.000 0.191 1120 E C 2.315 178.961 176.600 0.077 0.000 0.981 1120 E CA 1.041 57.470 56.400 0.048 0.000 0.830 1120 E CB -0.492 29.230 29.700 0.036 0.000 0.775 1120 E HN 0.691 nan 8.360 nan 0.000 0.470 1121 G N -1.048 107.823 108.800 0.119 0.000 2.921 1121 G HA2 -0.059 3.920 3.960 0.033 0.000 0.213 1121 G HA3 -0.059 3.920 3.960 0.033 0.000 0.213 1121 G C 1.059 176.094 174.900 0.226 0.000 1.143 1121 G CA 0.089 45.274 45.100 0.140 0.000 0.764 1121 G HN 0.198 nan 8.290 nan 0.000 0.542 1122 Y N 0.011 120.369 120.300 0.097 0.000 3.105 1122 Y HA 0.379 4.948 4.550 0.032 0.000 0.216 1122 Y C 2.220 178.222 175.900 0.170 0.000 0.943 1122 Y CA -0.025 58.149 58.100 0.123 0.000 1.535 1122 Y CB -0.357 38.183 38.460 0.132 0.000 1.475 1122 Y HN -0.064 nan 8.280 nan 0.000 0.435 1123 L N 1.091 122.296 121.223 -0.030 0.000 1.971 1123 L HA -0.287 4.073 4.340 0.033 0.000 0.215 1123 L C 2.058 178.944 176.870 0.026 0.000 1.072 1123 L CA 2.233 57.059 54.840 -0.023 0.000 0.758 1123 L CB -0.665 41.395 42.059 0.001 0.000 0.889 1123 L HN 0.212 nan 8.230 nan 0.000 0.433 1124 K N -0.277 120.115 120.400 -0.013 0.000 2.519 1124 K HA -0.196 4.143 4.320 0.033 0.000 0.196 1124 K C 1.911 178.527 176.600 0.027 0.000 1.041 1124 K CA 0.872 57.152 56.287 -0.011 0.000 0.954 1124 K CB 0.010 32.498 32.500 -0.020 0.000 0.774 1124 K HN 0.242 nan 8.250 nan 0.000 0.480 1125 K N 0.531 120.951 120.400 0.033 0.000 2.367 1125 K HA 0.072 4.412 4.320 0.033 0.000 0.195 1125 K C -0.041 176.565 176.600 0.010 0.000 1.060 1125 K CA -0.021 56.286 56.287 0.034 0.000 1.022 1125 K CB 0.749 33.287 32.500 0.062 0.000 0.894 1125 K HN -0.175 nan 8.250 nan 0.000 0.540 1126 V N 3.765 123.665 119.914 -0.023 0.000 2.752 1126 V HA -0.162 3.978 4.120 0.033 0.000 0.306 1126 V C 0.232 176.242 176.094 -0.140 0.000 1.099 1126 V CA 0.825 63.056 62.300 -0.116 0.000 1.240 1126 V CB 0.285 31.993 31.823 -0.192 0.000 0.887 1126 V HN 0.510 nan 8.190 nan 0.000 0.499 1127 N N 2.873 121.447 118.700 -0.210 0.000 3.025 1127 N HA 0.202 4.962 4.740 0.033 0.000 0.315 1127 N C -0.180 175.163 175.510 -0.279 0.000 1.511 1127 N CA -0.486 52.462 53.050 -0.170 0.000 1.097 1127 N CB 1.159 39.588 38.487 -0.097 0.000 1.395 1127 N HN 0.450 nan 8.380 nan 0.000 0.511 1128 V N 1.513 121.180 119.914 -0.412 0.000 3.140 1128 V HA 0.095 4.235 4.120 0.033 0.000 0.379 1128 V C 0.869 176.793 176.094 -0.285 0.000 1.296 1128 V CA 0.381 62.312 62.300 -0.615 0.000 1.351 1128 V CB -0.731 30.334 31.823 -1.263 0.000 1.311 1128 V HN 0.632 nan 8.190 nan 0.000 0.508 1129 T N -1.563 112.899 114.554 -0.154 0.000 3.296 1129 T HA 0.348 4.717 4.350 0.033 0.000 0.285 1129 T C -0.038 174.642 174.700 -0.033 0.000 1.014 1129 T CA -0.209 61.854 62.100 -0.062 0.000 0.920 1129 T CB -0.033 68.811 68.868 -0.040 0.000 1.143 1129 T HN 0.632 nan 8.240 nan 0.000 0.522 1130 E N 0.942 121.123 120.200 -0.032 0.000 2.378 1130 E HA 0.203 4.573 4.350 0.033 0.000 0.282 1130 E C -0.727 175.845 176.600 -0.046 0.000 0.910 1130 E CA -0.795 55.565 56.400 -0.067 0.000 0.816 1130 E CB 1.134 30.825 29.700 -0.014 0.000 1.359 1130 E HN 0.102 nan 8.360 nan 0.000 0.397 1131 V N 2.069 121.941 119.914 -0.069 0.000 3.299 1131 V HA 0.114 4.254 4.120 0.033 0.000 0.369 1131 V C -0.117 175.958 176.094 -0.033 0.000 1.245 1131 V CA -0.355 61.922 62.300 -0.038 0.000 1.459 1131 V CB -1.750 30.054 31.823 -0.032 0.000 1.203 1131 V HN 0.385 nan 8.190 nan 0.000 0.451 1132 N N 1.599 120.288 118.700 -0.018 0.000 2.430 1132 N HA 0.641 5.401 4.740 0.033 0.000 0.292 1132 N C 0.844 176.407 175.510 0.089 0.000 1.051 1132 N CA 0.448 53.518 53.050 0.034 0.000 0.917 1132 N CB 2.154 40.666 38.487 0.042 0.000 1.164 1132 N HN 0.325 nan 8.380 nan 0.000 0.484 1133 G N 0.359 109.208 108.800 0.082 0.000 2.371 1133 G HA2 -0.025 3.954 3.960 0.033 0.000 0.205 1133 G HA3 -0.025 3.954 3.960 0.033 0.000 0.205 1133 G C -0.021 174.916 174.900 0.062 0.000 1.486 1133 G CA -0.209 44.931 45.100 0.065 0.000 0.553 1133 G HN 0.607 nan 8.290 nan 0.000 1.124 1134 D N -1.643 118.790 120.400 0.055 0.000 2.583 1134 D HA 0.086 4.746 4.640 0.033 0.000 0.282 1134 D C 0.024 176.345 176.300 0.036 0.000 1.485 1134 D CA -0.339 53.685 54.000 0.041 0.000 0.834 1134 D CB -0.838 39.974 40.800 0.019 0.000 1.258 1134 D HN 0.228 nan 8.370 nan 0.000 0.470 1135 N N 0.740 119.475 118.700 0.060 0.000 2.839 1135 N HA 0.138 4.898 4.740 0.033 0.000 0.314 1135 N C 0.416 176.003 175.510 0.129 0.000 1.449 1135 N CA -0.083 53.013 53.050 0.077 0.000 1.050 1135 N CB 0.920 39.463 38.487 0.093 0.000 1.364 1135 N HN -0.056 nan 8.380 nan 0.000 0.512 1136 V N 0.425 120.407 119.914 0.114 0.000 2.407 1136 V HA -0.068 4.072 4.120 0.033 0.000 0.245 1136 V C 1.289 177.360 176.094 -0.039 0.000 1.041 1136 V CA 1.195 63.580 62.300 0.141 0.000 1.040 1136 V CB 0.077 31.986 31.823 0.145 0.000 0.671 1136 V HN 0.424 nan 8.190 nan 0.000 0.455 1137 L N 1.005 122.206 121.223 -0.037 0.000 2.805 1137 L HA 0.304 4.664 4.340 0.033 0.000 0.237 1137 L C 1.894 178.772 176.870 0.013 0.000 1.252 1137 L CA 0.942 55.738 54.840 -0.074 0.000 1.064 1137 L CB -0.723 41.315 42.059 -0.035 0.000 1.361 1137 L HN 0.221 nan 8.230 nan 0.000 0.474 1138 G N 0.620 109.465 108.800 0.075 0.000 2.453 1138 G HA2 -0.174 3.806 3.960 0.033 0.000 0.215 1138 G HA3 -0.174 3.806 3.960 0.033 0.000 0.215 1138 G C -0.579 174.503 174.900 0.302 0.000 1.201 1138 G CA 0.572 45.803 45.100 0.219 0.000 0.784 1138 G HN 0.325 nan 8.290 nan 0.000 0.545 1139 P HA -0.027 nan 4.420 nan 0.000 0.217 1139 P C 1.902 179.311 177.300 0.181 0.000 1.150 1139 P CA 0.397 63.706 63.100 0.348 0.000 0.832 1139 P CB -0.002 31.807 31.700 0.182 0.000 0.787 1140 I N -0.964 119.634 120.570 0.048 0.000 2.226 1140 I HA -0.247 3.942 4.170 0.033 0.000 0.245 1140 I C 2.285 178.388 176.117 -0.024 0.000 1.100 1140 I CA 1.774 63.068 61.300 -0.011 0.000 1.374 1140 I CB -0.850 37.115 38.000 -0.059 0.000 1.057 1140 I HN -0.043 nan 8.210 nan 0.000 0.413 1141 H N -0.287 118.758 119.070 -0.041 0.000 2.319 1141 H HA -0.137 4.439 4.556 0.033 0.000 0.299 1141 H C 2.092 177.396 175.328 -0.040 0.000 1.092 1141 H CA 2.633 58.651 56.048 -0.049 0.000 1.302 1141 H CB -0.497 29.251 29.762 -0.024 0.000 1.373 1141 H HN 0.191 nan 8.280 nan 0.000 0.497 1142 V N 0.596 120.464 119.914 -0.076 0.000 2.261 1142 V HA -0.242 3.898 4.120 0.033 0.000 0.246 1142 V C 2.675 178.755 176.094 -0.023 0.000 1.047 1142 V CA 2.058 64.297 62.300 -0.101 0.000 1.015 1142 V CB -0.624 31.224 31.823 0.041 0.000 0.642 1142 V HN 0.435 nan 8.190 nan 0.000 0.446 1143 I N -0.161 120.464 120.570 0.092 0.000 2.194 1143 I HA -0.288 3.902 4.170 0.033 0.000 0.246 1143 I C 2.581 178.698 176.117 0.001 0.000 1.093 1143 I CA 2.058 63.461 61.300 0.172 0.000 1.355 1143 I CB -0.572 37.486 38.000 0.098 0.000 1.046 1143 I HN 0.293 nan 8.210 nan 0.000 0.413 1144 T N -0.434 113.952 114.554 -0.279 0.000 2.857 1144 T HA -0.139 4.231 4.350 0.033 0.000 0.266 1144 T C 1.924 176.417 174.700 -0.345 0.000 1.048 1144 T CA 1.841 63.530 62.100 -0.685 0.000 1.139 1144 T CB -0.146 68.174 68.868 -0.913 0.000 0.874 1144 T HN 0.359 nan 8.240 nan 0.000 0.455 1145 T N 1.653 116.031 114.554 -0.294 0.000 2.652 1145 T HA -0.099 4.271 4.350 0.033 0.000 0.267 1145 T C 2.060 176.651 174.700 -0.181 0.000 1.039 1145 T CA 1.257 63.210 62.100 -0.244 0.000 1.153 1145 T CB -0.510 68.124 68.868 -0.391 0.000 0.863 1145 T HN 0.135 nan 8.240 nan 0.000 0.428 1146 V N 1.088 120.867 119.914 -0.225 0.000 2.261 1146 V HA -0.153 3.987 4.120 0.033 0.000 0.246 1146 V C 2.660 178.588 176.094 -0.277 0.000 1.047 1146 V CA 1.403 63.472 62.300 -0.383 0.000 1.015 1146 V CB -0.745 30.663 31.823 -0.691 0.000 0.642 1146 V HN 0.306 nan 8.190 nan 0.000 0.446 1147 V N -0.349 119.535 119.914 -0.051 0.000 2.255 1147 V HA -0.302 3.838 4.120 0.033 0.000 0.247 1147 V C 2.689 178.903 176.094 0.199 0.000 1.051 1147 V CA 2.488 64.887 62.300 0.164 0.000 1.018 1147 V CB -0.865 31.194 31.823 0.393 0.000 0.641 1147 V HN 0.615 nan 8.190 nan 0.000 0.445 1148 S N -0.706 115.165 115.700 0.284 0.000 2.374 1148 S HA -0.270 4.220 4.470 0.033 0.000 0.227 1148 S C 2.323 176.982 174.600 0.099 0.000 1.037 1148 S CA 2.279 60.646 58.200 0.279 0.000 1.024 1148 S CB -0.420 62.962 63.200 0.303 0.000 0.861 1148 S HN 0.652 nan 8.310 nan 0.000 0.456 1149 S N 0.435 116.133 115.700 -0.004 0.000 2.355 1149 S HA 0.034 4.524 4.470 0.033 0.000 0.222 1149 S C 1.892 176.446 174.600 -0.076 0.000 1.031 1149 S CA 1.266 59.428 58.200 -0.063 0.000 0.993 1149 S CB -0.591 62.520 63.200 -0.148 0.000 0.859 1149 S HN 0.579 nan 8.310 nan 0.000 0.453 1150 L N 1.044 122.197 121.223 -0.116 0.000 2.042 1150 L HA -0.088 4.272 4.340 0.033 0.000 0.210 1150 L C 2.558 179.379 176.870 -0.082 0.000 1.076 1150 L CA 1.181 55.954 54.840 -0.112 0.000 0.749 1150 L CB -0.588 41.403 42.059 -0.114 0.000 0.893 1150 L HN 0.251 nan 8.230 nan 0.000 0.432 1151 V N -0.589 119.299 119.914 -0.044 0.000 2.358 1151 V HA -0.253 3.887 4.120 0.033 0.000 0.246 1151 V C 2.628 178.700 176.094 -0.036 0.000 1.047 1151 V CA 1.528 63.780 62.300 -0.079 0.000 1.035 1151 V CB -0.556 31.255 31.823 -0.019 0.000 0.658 1151 V HN 0.392 nan 8.190 nan 0.000 0.452 1152 R N 0.444 120.979 120.500 0.059 0.000 2.103 1152 R HA -0.165 4.195 4.340 0.033 0.000 0.242 1152 R C 1.562 177.887 176.300 0.042 0.000 1.142 1152 R CA 1.722 57.885 56.100 0.104 0.000 0.960 1152 R CB -0.173 30.173 30.300 0.077 0.000 0.858 1152 R HN 0.541 nan 8.270 nan 0.000 0.439 1153 N N -0.729 117.966 118.700 -0.009 0.000 2.268 1153 N HA 0.045 4.805 4.740 0.033 0.000 0.204 1153 N C 0.367 175.854 175.510 -0.039 0.000 1.124 1153 N CA 0.878 53.915 53.050 -0.023 0.000 0.838 1153 N CB 1.358 39.822 38.487 -0.037 0.000 0.994 1153 N HN 0.403 nan 8.380 nan 0.000 0.489 1154 G N 1.091 109.856 108.800 -0.059 0.000 2.176 1154 G HA2 -0.251 3.729 3.960 0.033 0.000 0.252 1154 G HA3 -0.251 3.729 3.960 0.033 0.000 0.252 1154 G C 0.050 174.883 174.900 -0.111 0.000 1.024 1154 G CA -0.220 44.827 45.100 -0.089 0.000 0.755 1154 G HN 0.354 nan 8.290 nan 0.000 0.507 1155 L N 0.679 121.830 121.223 -0.120 0.000 2.657 1155 L HA 0.357 4.717 4.340 0.033 0.000 0.239 1155 L C 1.973 178.742 176.870 -0.168 0.000 1.215 1155 L CA -0.548 54.230 54.840 -0.103 0.000 1.161 1155 L CB 0.144 42.168 42.059 -0.059 0.000 1.436 1155 L HN 0.195 nan 8.230 nan 0.000 0.414 1156 L N 0.621 121.693 121.223 -0.251 0.000 2.156 1156 L HA -0.165 4.195 4.340 0.033 0.000 0.208 1156 L C 2.337 179.007 176.870 -0.333 0.000 1.095 1156 L CA 1.322 55.849 54.840 -0.522 0.000 0.770 1156 L CB -0.093 41.650 42.059 -0.528 0.000 0.914 1156 L HN 0.592 nan 8.230 nan 0.000 0.439 1157 I N -2.037 118.458 120.570 -0.124 0.000 2.876 1157 I HA -0.157 4.033 4.170 0.033 0.000 0.264 1157 I C 2.255 178.398 176.117 0.043 0.000 1.204 1157 I CA 1.006 62.300 61.300 -0.009 0.000 1.485 1157 I CB -0.060 37.949 38.000 0.016 0.000 1.103 1157 I HN 0.082 nan 8.210 nan 0.000 0.446 1158 Q N 0.844 120.663 119.800 0.031 0.000 2.046 1158 Q HA -0.145 4.214 4.340 0.033 0.000 0.200 1158 Q C 2.529 178.638 176.000 0.181 0.000 0.975 1158 Q CA 2.054 57.920 55.803 0.106 0.000 0.836 1158 Q CB -0.731 28.072 28.738 0.109 0.000 0.896 1158 Q HN 0.618 nan 8.270 nan 0.000 0.428 1159 S N -0.172 115.597 115.700 0.115 0.000 2.359 1159 S HA -0.273 4.217 4.470 0.033 0.000 0.223 1159 S C 2.074 176.877 174.600 0.340 0.000 1.039 1159 S CA 1.772 60.108 58.200 0.226 0.000 1.042 1159 S CB -0.661 62.582 63.200 0.071 0.000 0.915 1159 S HN 0.537 nan 8.310 nan 0.000 0.439 1160 S N 0.490 116.363 115.700 0.289 0.000 2.359 1160 S HA -0.159 4.331 4.470 0.033 0.000 0.224 1160 S C 1.916 176.633 174.600 0.195 0.000 1.035 1160 S CA 1.778 60.152 58.200 0.291 0.000 1.018 1160 S CB -0.502 62.865 63.200 0.279 0.000 0.876 1160 S HN 0.611 nan 8.310 nan 0.000 0.448 1161 K N -0.499 120.005 120.400 0.173 0.000 2.097 1161 K HA -0.016 4.324 4.320 0.033 0.000 0.205 1161 K C 1.881 178.579 176.600 0.163 0.000 1.050 1161 K CA 1.531 57.898 56.287 0.134 0.000 0.938 1161 K CB -0.388 32.177 32.500 0.107 0.000 0.718 1161 K HN 0.526 nan 8.250 nan 0.000 0.442 1162 F N 1.515 121.526 119.950 0.101 0.000 2.113 1162 F HA -0.182 4.364 4.527 0.031 0.000 0.297 1162 F C 1.789 177.650 175.800 0.103 0.000 1.103 1162 F CA 1.117 59.187 58.000 0.117 0.000 1.248 1162 F CB -0.116 39.012 39.000 0.214 0.000 0.999 1162 F HN -0.106 nan 8.300 nan 0.000 0.475 1163 I N 0.102 120.656 120.570 -0.027 0.000 2.179 1163 I HA -0.280 3.910 4.170 0.033 0.000 0.242 1163 I C 2.513 178.557 176.117 -0.123 0.000 1.088 1163 I CA 1.506 62.737 61.300 -0.116 0.000 1.357 1163 I CB -1.469 36.596 38.000 0.109 0.000 1.051 1163 I HN 0.175 nan 8.210 nan 0.000 0.409 1164 S N 0.577 116.256 115.700 -0.034 0.000 2.359 1164 S HA -0.280 4.210 4.470 0.033 0.000 0.222 1164 S C 2.013 176.565 174.600 -0.081 0.000 1.038 1164 S CA 1.934 60.113 58.200 -0.035 0.000 1.051 1164 S CB -0.285 62.919 63.200 0.006 0.000 0.944 1164 S HN 0.351 nan 8.310 nan 0.000 0.433 1165 K N 0.910 121.250 120.400 -0.100 0.000 2.063 1165 K HA -0.073 4.267 4.320 0.033 0.000 0.208 1165 K C 1.926 178.421 176.600 -0.175 0.000 1.048 1165 K CA 1.200 57.418 56.287 -0.114 0.000 0.928 1165 K CB -0.414 32.035 32.500 -0.085 0.000 0.713 1165 K HN 0.127 nan 8.250 nan 0.000 0.442 1166 V N 1.278 121.010 119.914 -0.303 0.000 2.287 1166 V HA -0.267 3.873 4.120 0.033 0.000 0.248 1166 V C 2.237 178.213 176.094 -0.195 0.000 1.053 1166 V CA 1.810 63.926 62.300 -0.307 0.000 1.027 1166 V CB -0.323 31.195 31.823 -0.508 0.000 0.646 1166 V HN 0.349 nan 8.190 nan 0.000 0.447 1167 L N -1.329 119.802 121.223 -0.154 0.000 2.056 1167 L HA -0.172 4.188 4.340 0.033 0.000 0.207 1167 L C 2.393 179.201 176.870 -0.104 0.000 1.078 1167 L CA 1.227 56.008 54.840 -0.098 0.000 0.749 1167 L CB -0.468 41.561 42.059 -0.049 0.000 0.901 1167 L HN 0.295 nan 8.230 nan 0.000 0.433 1168 L N -0.638 120.526 121.223 -0.097 0.000 2.083 1168 L HA -0.207 4.153 4.340 0.033 0.000 0.209 1168 L C 2.517 179.316 176.870 -0.119 0.000 1.083 1168 L CA 1.708 56.496 54.840 -0.087 0.000 0.752 1168 L CB -0.417 41.602 42.059 -0.067 0.000 0.899 1168 L HN 0.208 nan 8.230 nan 0.000 0.433 1169 T N -1.786 112.680 114.554 -0.147 0.000 2.770 1169 T HA -0.128 4.242 4.350 0.033 0.000 0.263 1169 T C 1.918 176.446 174.700 -0.286 0.000 1.039 1169 T CA 1.415 63.405 62.100 -0.184 0.000 1.142 1169 T CB -0.230 68.535 68.868 -0.172 0.000 0.868 1169 T HN 0.084 nan 8.240 nan 0.000 0.435 1170 V N 1.772 121.489 119.914 -0.328 0.000 2.392 1170 V HA -0.212 3.928 4.120 0.033 0.000 0.249 1170 V C 2.523 178.390 176.094 -0.378 0.000 1.059 1170 V CA 2.014 64.015 62.300 -0.499 0.000 1.051 1170 V CB -0.671 30.928 31.823 -0.374 0.000 0.658 1170 V HN 0.576 nan 8.190 nan 0.000 0.455 1171 E N 1.025 121.094 120.200 -0.219 0.000 2.058 1171 E HA -0.264 4.105 4.350 0.033 0.000 0.194 1171 E C 2.331 178.844 176.600 -0.145 0.000 0.997 1171 E CA 1.945 58.258 56.400 -0.145 0.000 0.801 1171 E CB -0.185 29.463 29.700 -0.086 0.000 0.746 1171 E HN 0.739 nan 8.360 nan 0.000 0.450 1172 S N 0.177 115.786 115.700 -0.152 0.000 2.406 1172 S HA -0.102 4.388 4.470 0.033 0.000 0.228 1172 S C 2.074 176.584 174.600 -0.149 0.000 1.020 1172 S CA 0.855 58.984 58.200 -0.119 0.000 0.965 1172 S CB -0.542 62.603 63.200 -0.091 0.000 0.798 1172 S HN 0.345 nan 8.310 nan 0.000 0.488 1173 I N 1.544 121.961 120.570 -0.255 0.000 2.127 1173 I HA -0.157 4.033 4.170 0.033 0.000 0.241 1173 I C 2.507 178.495 176.117 -0.216 0.000 1.075 1173 I CA 1.281 62.403 61.300 -0.297 0.000 1.334 1173 I CB -0.677 36.970 38.000 -0.588 0.000 1.040 1173 I HN 0.210 nan 8.210 nan 0.000 0.405 1174 V N 0.537 120.299 119.914 -0.252 0.000 2.295 1174 V HA -0.333 3.807 4.120 0.033 0.000 0.246 1174 V C 2.478 178.591 176.094 0.032 0.000 1.049 1174 V CA 2.324 64.570 62.300 -0.089 0.000 1.024 1174 V CB -0.546 31.221 31.823 -0.093 0.000 0.648 1174 V HN 0.490 nan 8.190 nan 0.000 0.447 1175 M N 1.367 120.968 119.600 0.002 0.000 2.108 1175 M HA -0.169 4.331 4.480 0.033 0.000 0.261 1175 M C 2.182 178.504 176.300 0.037 0.000 1.066 1175 M CA 2.471 57.791 55.300 0.034 0.000 1.107 1175 M CB -0.367 32.230 32.600 -0.005 0.000 1.356 1175 M HN 0.450 nan 8.290 nan 0.000 0.406 1176 S N -0.085 115.619 115.700 0.006 0.000 2.561 1176 S HA 0.113 4.603 4.470 0.033 0.000 0.225 1176 S C 0.618 175.241 174.600 0.039 0.000 0.977 1176 S CA -0.289 57.918 58.200 0.012 0.000 0.926 1176 S CB -1.045 62.145 63.200 -0.017 0.000 0.769 1176 S HN 0.500 nan 8.310 nan 0.000 0.533 1177 L N 3.227 124.491 121.223 0.068 0.000 2.490 1177 L HA 0.242 4.602 4.340 0.033 0.000 0.274 1177 L C -1.801 175.121 176.870 0.087 0.000 1.201 1177 L CA -1.621 53.273 54.840 0.090 0.000 0.869 1177 L CB -0.129 42.016 42.059 0.143 0.000 1.123 1177 L HN 0.161 nan 8.230 nan 0.000 0.484 1178 P HA 0.036 nan 4.420 nan 0.000 0.269 1178 P C -0.036 177.287 177.300 0.038 0.000 1.215 1178 P CA -0.416 62.708 63.100 0.041 0.000 0.780 1178 P CB 0.564 32.276 31.700 0.019 0.000 0.898 1179 K N 2.155 122.541 120.400 -0.023 0.000 2.077 1179 K HA -0.220 4.120 4.320 0.033 0.000 0.213 1179 K C 1.192 177.721 176.600 -0.118 0.000 1.051 1179 K CA 2.557 58.739 56.287 -0.175 0.000 0.929 1179 K CB -1.119 31.115 32.500 -0.443 0.000 0.715 1179 K HN 0.649 nan 8.250 nan 0.000 0.451 1180 D N 0.121 120.481 120.400 -0.067 0.000 2.363 1180 D HA -0.082 4.578 4.640 0.033 0.000 0.220 1180 D C 1.156 177.469 176.300 0.021 0.000 0.994 1180 D CA 0.634 54.616 54.000 -0.031 0.000 0.890 1180 D CB 0.051 40.831 40.800 -0.034 0.000 0.906 1180 D HN 0.359 nan 8.370 nan 0.000 0.530 1181 E N -0.830 119.399 120.200 0.048 0.000 2.489 1181 E HA 0.049 4.419 4.350 0.033 0.000 0.204 1181 E C 1.171 177.853 176.600 0.136 0.000 1.006 1181 E CA 0.046 56.492 56.400 0.077 0.000 0.936 1181 E CB 0.411 30.150 29.700 0.065 0.000 1.002 1181 E HN 0.167 nan 8.360 nan 0.000 0.488 1182 T N 1.345 116.009 114.554 0.182 0.000 2.759 1182 T HA -0.207 4.163 4.350 0.033 0.000 0.269 1182 T C 1.764 176.666 174.700 0.336 0.000 1.042 1182 T CA 1.179 63.470 62.100 0.319 0.000 1.140 1182 T CB -0.028 69.074 68.868 0.389 0.000 0.864 1182 T HN 0.204 nan 8.240 nan 0.000 0.455 1183 M N 0.217 119.909 119.600 0.155 0.000 2.115 1183 M HA 0.044 4.544 4.480 0.033 0.000 0.261 1183 M C 1.987 178.327 176.300 0.066 0.000 1.079 1183 M CA 1.531 56.782 55.300 -0.080 0.000 1.143 1183 M CB -0.159 32.378 32.600 -0.104 0.000 1.332 1183 M HN 0.176 nan 8.290 nan 0.000 0.421 1184 L N -0.169 121.136 121.223 0.137 0.000 2.027 1184 L HA -0.074 4.286 4.340 0.033 0.000 0.206 1184 L C 2.672 179.646 176.870 0.174 0.000 1.074 1184 L CA 1.374 56.378 54.840 0.273 0.000 0.745 1184 L CB -1.429 40.776 42.059 0.243 0.000 0.898 1184 L HN 0.502 nan 8.230 nan 0.000 0.433 1185 G N -0.104 108.756 108.800 0.099 0.000 2.514 1185 G HA2 -0.250 3.730 3.960 0.033 0.000 0.217 1185 G HA3 -0.250 3.730 3.960 0.033 0.000 0.217 1185 G C 1.600 176.560 174.900 0.100 0.000 1.198 1185 G CA 0.882 46.049 45.100 0.112 0.000 0.780 1185 G HN 0.481 nan 8.290 nan 0.000 0.565 1186 G N 1.016 109.761 108.800 -0.092 0.000 2.529 1186 G HA2 -0.269 3.711 3.960 0.033 0.000 0.219 1186 G HA3 -0.269 3.711 3.960 0.033 0.000 0.219 1186 G C 1.824 176.280 174.900 -0.741 0.000 1.177 1186 G CA 1.123 45.718 45.100 -0.841 0.000 0.773 1186 G HN 0.457 nan 8.290 nan 0.000 0.573 1187 I N -0.481 119.832 120.570 -0.429 0.000 2.202 1187 I HA -0.072 4.117 4.170 0.033 0.000 0.242 1187 I C 2.406 178.449 176.117 -0.122 0.000 1.091 1187 I CA 1.013 62.192 61.300 -0.200 0.000 1.368 1187 I CB -0.331 37.761 38.000 0.153 0.000 1.058 1187 I HN 0.191 nan 8.210 nan 0.000 0.410 1188 F N 1.052 120.755 119.950 -0.411 0.000 2.043 1188 F HA -0.309 4.239 4.527 0.035 0.000 0.297 1188 F C 2.138 177.593 175.800 -0.576 0.000 1.118 1188 F CA 1.852 59.332 58.000 -0.867 0.000 1.202 1188 F CB -0.664 37.541 39.000 -1.325 0.000 0.965 1188 F HN 0.012 nan 8.300 nan 0.000 0.482 1189 W N 0.373 121.530 121.300 -0.238 0.000 2.358 1189 W HA -0.142 4.537 4.660 0.031 0.000 0.303 1189 W C 2.367 178.734 176.519 -0.252 0.000 1.208 1189 W CA 1.112 58.291 57.345 -0.277 0.000 1.274 1189 W CB -0.698 28.680 29.460 -0.136 0.000 1.138 1189 W HN 0.050 nan 8.180 nan 0.000 0.515 1190 L N -0.670 120.528 121.223 -0.041 0.000 2.093 1190 L HA -0.195 4.165 4.340 0.033 0.000 0.208 1190 L C 2.683 179.645 176.870 0.153 0.000 1.085 1190 L CA 1.229 56.101 54.840 0.053 0.000 0.755 1190 L CB -1.064 40.924 42.059 -0.118 0.000 0.904 1190 L HN -0.080 nan 8.230 nan 0.000 0.435 1191 S N 0.066 115.743 115.700 -0.037 0.000 2.359 1191 S HA -0.230 4.260 4.470 0.033 0.000 0.223 1191 S C 1.885 176.414 174.600 -0.119 0.000 1.039 1191 S CA 1.747 59.903 58.200 -0.073 0.000 1.042 1191 S CB -0.252 62.879 63.200 -0.114 0.000 0.915 1191 S HN 0.447 nan 8.310 nan 0.000 0.439 1192 N N 0.950 119.499 118.700 -0.252 0.000 2.084 1192 N HA -0.043 4.717 4.740 0.033 0.000 0.190 1192 N C 1.836 177.323 175.510 -0.039 0.000 1.030 1192 N CA 1.403 54.329 53.050 -0.207 0.000 0.849 1192 N CB -0.473 37.804 38.487 -0.349 0.000 1.012 1192 N HN 0.402 nan 8.380 nan 0.000 0.423 1193 L N 1.265 122.530 121.223 0.070 0.000 2.275 1193 L HA -0.088 4.271 4.340 0.033 0.000 0.215 1193 L C 2.416 179.355 176.870 0.114 0.000 1.119 1193 L CA 0.765 55.706 54.840 0.167 0.000 0.790 1193 L CB -0.478 41.764 42.059 0.305 0.000 0.919 1193 L HN 0.232 nan 8.230 nan 0.000 0.443 1194 S N -0.474 115.240 115.700 0.023 0.000 2.507 1194 S HA -0.144 4.346 4.470 0.033 0.000 0.235 1194 S C 1.934 176.382 174.600 -0.254 0.000 0.988 1194 S CA 0.548 58.518 58.200 -0.384 0.000 0.944 1194 S CB -0.158 62.863 63.200 -0.298 0.000 0.762 1194 S HN 0.379 nan 8.310 nan 0.000 0.526 1195 R N 0.029 120.475 120.500 -0.091 0.000 2.254 1195 R HA 0.424 4.784 4.340 0.033 0.000 0.195 1195 R C 2.043 178.377 176.300 0.056 0.000 0.957 1195 R CA 0.210 56.298 56.100 -0.020 0.000 1.024 1195 R CB -0.293 30.007 30.300 -0.001 0.000 0.952 1195 R HN 0.357 nan 8.270 nan 0.000 0.484 1196 L N 0.845 122.098 121.223 0.049 0.000 2.042 1196 L HA -0.149 4.211 4.340 0.033 0.000 0.210 1196 L C -0.825 176.148 176.870 0.172 0.000 1.076 1196 L CA 1.775 56.701 54.840 0.143 0.000 0.749 1196 L CB -0.917 41.206 42.059 0.106 0.000 0.893 1196 L HN 0.118 nan 8.230 nan 0.000 0.432 1197 P HA -0.153 nan 4.420 nan 0.000 0.215 1197 P C 1.430 178.751 177.300 0.034 0.000 1.157 1197 P CA 1.754 64.869 63.100 0.025 0.000 0.863 1197 P CB -0.022 31.654 31.700 -0.040 0.000 0.787 1198 A N -1.039 121.809 122.820 0.046 0.000 1.972 1198 A HA -0.211 4.129 4.320 0.033 0.000 0.219 1198 A C 2.099 179.741 177.584 0.097 0.000 1.169 1198 A CA 1.370 53.449 52.037 0.071 0.000 0.635 1198 A CB -1.888 17.173 19.000 0.102 0.000 0.810 1198 A HN 0.170 nan 8.150 nan 0.000 0.446 1199 F N 1.244 121.204 119.950 0.016 0.000 2.095 1199 F HA -0.114 4.444 4.527 0.052 0.000 0.298 1199 F C 2.424 178.243 175.800 0.031 0.000 1.104 1199 F CA 1.345 59.364 58.000 0.032 0.000 1.232 1199 F CB -0.593 38.432 39.000 0.041 0.000 0.987 1199 F HN 0.235 nan 8.300 nan 0.000 0.475 1200 A N 0.580 123.320 122.820 -0.133 0.000 1.902 1200 A HA -0.024 4.316 4.320 0.033 0.000 0.217 1200 A C 2.426 179.891 177.584 -0.199 0.000 1.181 1200 A CA 1.787 53.684 52.037 -0.234 0.000 0.623 1200 A CB -1.603 17.351 19.000 -0.075 0.000 0.818 1200 A HN 0.564 nan 8.150 nan 0.000 0.443 1201 A N -0.007 122.738 122.820 -0.125 0.000 1.933 1201 A HA -0.180 4.160 4.320 0.033 0.000 0.218 1201 A C 1.910 179.406 177.584 -0.147 0.000 1.175 1201 A CA 1.962 53.926 52.037 -0.121 0.000 0.628 1201 A CB -0.641 18.295 19.000 -0.106 0.000 0.814 1201 A HN 0.568 nan 8.150 nan 0.000 0.444 1202 N N -0.413 118.194 118.700 -0.155 0.000 2.142 1202 N HA -0.109 4.651 4.740 0.033 0.000 0.186 1202 N C 1.924 177.344 175.510 -0.150 0.000 1.023 1202 N CA 1.231 54.197 53.050 -0.140 0.000 0.852 1202 N CB -0.207 38.234 38.487 -0.077 0.000 0.998 1202 N HN 0.379 nan 8.380 nan 0.000 0.424 1203 Q N 0.747 120.394 119.800 -0.255 0.000 2.135 1203 Q HA -0.186 4.174 4.340 0.033 0.000 0.204 1203 Q C 1.858 177.882 176.000 0.041 0.000 0.981 1203 Q CA 1.125 56.822 55.803 -0.177 0.000 0.856 1203 Q CB -0.263 28.235 28.738 -0.401 0.000 0.902 1203 Q HN 0.582 nan 8.270 nan 0.000 0.425 1204 K N 0.603 120.989 120.400 -0.023 0.000 2.152 1204 K HA -0.140 4.200 4.320 0.033 0.000 0.206 1204 K C 1.954 178.589 176.600 0.058 0.000 1.048 1204 K CA 1.906 58.221 56.287 0.047 0.000 0.933 1204 K CB -0.342 32.143 32.500 -0.025 0.000 0.721 1204 K HN 0.207 nan 8.250 nan 0.000 0.447 1205 T N -0.176 114.365 114.554 -0.023 0.000 2.867 1205 T HA -0.059 4.311 4.350 0.033 0.000 0.268 1205 T C 1.910 176.569 174.700 -0.067 0.000 1.057 1205 T CA 0.997 63.066 62.100 -0.052 0.000 1.136 1205 T CB -0.405 68.413 68.868 -0.084 0.000 0.874 1205 T HN 0.244 nan 8.240 nan 0.000 0.466 1206 L N -0.703 120.455 121.223 -0.108 0.000 2.551 1206 L HA 0.197 4.557 4.340 0.033 0.000 0.228 1206 L C 0.506 177.115 176.870 -0.435 0.000 1.153 1206 L CA 0.440 55.117 54.840 -0.273 0.000 0.851 1206 L CB -0.478 41.361 42.059 -0.367 0.000 0.959 1206 L HN 0.294 nan 8.230 nan 0.000 0.451 1216 D N 0.252 120.670 120.400 0.031 0.000 2.234 1216 D HA 0.065 4.724 4.640 0.033 0.000 0.205 1216 D C 1.224 177.535 176.300 0.020 0.000 0.962 1216 D CA 0.808 54.842 54.000 0.056 0.000 0.855 1216 D CB 0.293 41.164 40.800 0.117 0.000 0.951 1216 D HN 0.241 nan 8.370 nan 0.000 0.500 1217 K N 0.125 120.532 120.400 0.013 0.000 2.062 1217 K HA 0.015 4.355 4.320 0.033 0.000 0.205 1217 K C 2.215 178.813 176.600 -0.004 0.000 1.051 1217 K CA 0.270 56.562 56.287 0.008 0.000 0.941 1217 K CB -0.481 32.024 32.500 0.009 0.000 0.719 1217 K HN 0.229 nan 8.250 nan 0.000 0.440 1218 L N 1.104 122.321 121.223 -0.010 0.000 2.083 1218 L HA -0.157 4.203 4.340 0.033 0.000 0.209 1218 L C 2.280 179.144 176.870 -0.010 0.000 1.083 1218 L CA 1.323 56.160 54.840 -0.005 0.000 0.752 1218 L CB -0.571 41.481 42.059 -0.013 0.000 0.899 1218 L HN 0.168 nan 8.230 nan 0.000 0.433 1219 T N -0.287 114.223 114.554 -0.073 0.000 2.777 1219 T HA -0.153 4.217 4.350 0.033 0.000 0.266 1219 T C 1.929 176.574 174.700 -0.092 0.000 1.040 1219 T CA 1.086 63.092 62.100 -0.156 0.000 1.141 1219 T CB -0.207 68.406 68.868 -0.425 0.000 0.868 1219 T HN 0.189 nan 8.240 nan 0.000 0.444 1220 L N 0.309 121.494 121.223 -0.064 0.000 2.046 1220 L HA -0.073 4.286 4.340 0.033 0.000 0.208 1220 L C 2.490 179.350 176.870 -0.016 0.000 1.077 1220 L CA 1.338 56.163 54.840 -0.026 0.000 0.747 1220 L CB -0.600 41.460 42.059 0.003 0.000 0.896 1220 L HN 0.281 nan 8.230 nan 0.000 0.432 1221 I N -1.252 119.318 120.570 0.001 0.000 2.163 1221 I HA -0.371 3.819 4.170 0.033 0.000 0.243 1221 I C 2.587 178.709 176.117 0.007 0.000 1.085 1221 I CA 1.587 62.890 61.300 0.005 0.000 1.347 1221 I CB -0.450 37.561 38.000 0.018 0.000 1.044 1221 I HN 0.212 nan 8.210 nan 0.000 0.408 1222 Y N 1.651 121.913 120.300 -0.063 0.000 2.165 1222 Y HA -0.235 4.328 4.550 0.021 0.000 0.286 1222 Y C 2.235 178.103 175.900 -0.053 0.000 1.155 1222 Y CA 1.688 59.755 58.100 -0.055 0.000 1.164 1222 Y CB -0.248 38.168 38.460 -0.074 0.000 0.978 1222 Y HN 0.013 nan 8.280 nan 0.000 0.513 1223 L N 0.159 121.309 121.223 -0.121 0.000 2.072 1223 L HA -0.187 4.173 4.340 0.033 0.000 0.205 1223 L C 2.549 179.310 176.870 -0.182 0.000 1.079 1223 L CA 1.452 56.184 54.840 -0.180 0.000 0.752 1223 L CB -0.777 41.233 42.059 -0.081 0.000 0.906 1223 L HN 0.338 nan 8.230 nan 0.000 0.436 1224 N N 0.304 118.931 118.700 -0.121 0.000 2.104 1224 N HA -0.276 4.484 4.740 0.033 0.000 0.190 1224 N C 1.480 176.919 175.510 -0.118 0.000 1.024 1224 N CA 1.988 54.980 53.050 -0.096 0.000 0.853 1224 N CB 0.074 38.524 38.487 -0.062 0.000 1.008 1224 N HN 0.334 nan 8.380 nan 0.000 0.424 1225 D N -0.045 120.260 120.400 -0.159 0.000 2.224 1225 D HA -0.101 4.559 4.640 0.033 0.000 0.205 1225 D C 2.051 178.231 176.300 -0.199 0.000 0.965 1225 D CA 0.258 54.166 54.000 -0.154 0.000 0.852 1225 D CB 0.049 40.761 40.800 -0.146 0.000 0.947 1225 D HN 0.195 nan 8.370 nan 0.000 0.494 1226 L N 0.593 121.623 121.223 -0.322 0.000 2.156 1226 L HA -0.005 4.355 4.340 0.033 0.000 0.208 1226 L C 1.976 178.781 176.870 -0.109 0.000 1.095 1226 L CA 1.626 56.305 54.840 -0.268 0.000 0.770 1226 L CB -0.548 41.282 42.059 -0.382 0.000 0.914 1226 L HN 0.079 nan 8.230 nan 0.000 0.439 1227 E N -0.548 119.592 120.200 -0.100 0.000 2.031 1227 E HA -0.241 4.129 4.350 0.033 0.000 0.193 1227 E C 1.771 178.354 176.600 -0.029 0.000 0.994 1227 E CA 1.393 57.763 56.400 -0.050 0.000 0.800 1227 E CB -0.062 29.602 29.700 -0.059 0.000 0.752 1227 E HN 0.575 nan 8.360 nan 0.000 0.447 1228 N N 0.788 119.466 118.700 -0.037 0.000 2.069 1228 N HA -0.211 4.549 4.740 0.033 0.000 0.191 1228 N C 1.822 177.334 175.510 0.004 0.000 1.031 1228 N CA 1.490 54.532 53.050 -0.014 0.000 0.852 1228 N CB -0.476 38.000 38.487 -0.017 0.000 1.018 1228 N HN 0.209 nan 8.380 nan 0.000 0.423 1229 E N 0.184 120.377 120.200 -0.011 0.000 2.152 1229 E HA 0.005 4.375 4.350 0.033 0.000 0.192 1229 E C 1.728 178.348 176.600 0.034 0.000 0.983 1229 E CA 0.901 57.305 56.400 0.007 0.000 0.818 1229 E CB -0.293 29.397 29.700 -0.016 0.000 0.758 1229 E HN 0.191 nan 8.360 nan 0.000 0.467 1230 T N 0.335 114.909 114.554 0.033 0.000 2.896 1230 T HA -0.049 4.321 4.350 0.033 0.000 0.263 1230 T C 1.569 176.335 174.700 0.111 0.000 1.050 1230 T CA 0.804 62.945 62.100 0.068 0.000 1.140 1230 T CB -0.208 68.696 68.868 0.061 0.000 0.877 1230 T HN 0.096 nan 8.240 nan 0.000 0.457 1231 L N 1.644 122.915 121.223 0.079 0.000 1.989 1231 L HA -0.043 4.317 4.340 0.033 0.000 0.211 1231 L C 2.229 179.200 176.870 0.169 0.000 1.071 1231 L CA 1.916 56.820 54.840 0.106 0.000 0.749 1231 L CB -0.531 41.559 42.059 0.051 0.000 0.890 1231 L HN 0.068 nan 8.230 nan 0.000 0.431 1232 K N -1.136 119.333 120.400 0.116 0.000 2.103 1232 K HA -0.153 4.187 4.320 0.033 0.000 0.207 1232 K C 1.943 178.621 176.600 0.130 0.000 1.048 1232 K CA 1.674 58.029 56.287 0.115 0.000 0.930 1232 K CB -0.329 32.216 32.500 0.076 0.000 0.716 1232 K HN 0.299 nan 8.250 nan 0.000 0.444 1233 V N 0.916 120.905 119.914 0.125 0.000 2.358 1233 V HA -0.222 3.918 4.120 0.033 0.000 0.246 1233 V C 1.916 178.098 176.094 0.147 0.000 1.047 1233 V CA 1.526 63.892 62.300 0.111 0.000 1.035 1233 V CB -0.489 31.382 31.823 0.080 0.000 0.658 1233 V HN 0.232 nan 8.190 nan 0.000 0.452 1234 F N 1.655 121.642 119.950 0.061 0.000 2.069 1234 F HA -0.238 4.311 4.527 0.036 0.000 0.298 1234 F C 2.250 178.133 175.800 0.138 0.000 1.113 1234 F CA 2.228 60.276 58.000 0.079 0.000 1.214 1234 F CB -0.391 38.636 39.000 0.045 0.000 0.978 1234 F HN 0.204 nan 8.300 nan 0.000 0.474 1235 D N 0.501 121.064 120.400 0.271 0.000 2.133 1235 D HA -0.242 4.417 4.640 0.033 0.000 0.195 1235 D C 2.189 178.596 176.300 0.178 0.000 0.997 1235 D CA 1.638 55.776 54.000 0.231 0.000 0.840 1235 D CB -0.481 40.467 40.800 0.246 0.000 0.947 1235 D HN 0.363 nan 8.370 nan 0.000 0.452 1236 K N 0.462 120.940 120.400 0.129 0.000 2.032 1236 K HA -0.122 4.218 4.320 0.033 0.000 0.209 1236 K C 2.234 178.883 176.600 0.081 0.000 1.048 1236 K CA 1.048 57.398 56.287 0.105 0.000 0.927 1236 K CB -0.106 32.442 32.500 0.079 0.000 0.712 1236 K HN 0.106 nan 8.250 nan 0.000 0.441 1237 I N -0.195 120.384 120.570 0.016 0.000 2.233 1237 I HA -0.233 3.957 4.170 0.033 0.000 0.243 1237 I C 2.285 178.420 176.117 0.030 0.000 1.093 1237 I CA 1.011 62.308 61.300 -0.004 0.000 1.380 1237 I CB -0.539 37.417 38.000 -0.073 0.000 1.067 1237 I HN 0.218 nan 8.210 nan 0.000 0.413 1238 Y N 2.175 122.312 120.300 -0.272 0.000 2.102 1238 Y HA -0.375 4.196 4.550 0.035 0.000 0.280 1238 Y C 2.768 178.759 175.900 0.153 0.000 1.178 1238 Y CA 2.279 60.271 58.100 -0.180 0.000 1.146 1238 Y CB -0.331 37.841 38.460 -0.479 0.000 0.968 1238 Y HN 0.080 nan 8.280 nan 0.000 0.504 1239 S N -0.825 115.030 115.700 0.258 0.000 2.355 1239 S HA -0.171 4.319 4.470 0.033 0.000 0.222 1239 S C 1.887 176.622 174.600 0.224 0.000 1.031 1239 S CA 1.654 60.063 58.200 0.348 0.000 0.993 1239 S CB -0.712 62.748 63.200 0.432 0.000 0.859 1239 S HN 0.582 nan 8.310 nan 0.000 0.453 1240 T N 0.731 115.382 114.554 0.162 0.000 2.788 1240 T HA -0.138 4.231 4.350 0.033 0.000 0.268 1240 T C 1.297 176.061 174.700 0.107 0.000 1.044 1240 T CA 1.330 63.499 62.100 0.115 0.000 1.139 1240 T CB -0.324 68.601 68.868 0.094 0.000 0.867 1240 T HN 0.696 nan 8.240 nan 0.000 0.454 1241 W N 1.560 122.828 121.300 -0.054 0.000 2.409 1241 W HA 0.048 4.729 4.660 0.034 0.000 0.299 1241 W C 1.778 178.259 176.519 -0.064 0.000 1.203 1241 W CA 0.190 57.498 57.345 -0.062 0.000 1.298 1241 W CB -0.581 28.826 29.460 -0.088 0.000 1.127 1241 W HN 0.126 nan 8.180 nan 0.000 0.528 1242 L N 1.374 122.371 121.223 -0.375 0.000 2.131 1242 L HA -0.111 4.249 4.340 0.033 0.000 0.210 1242 L C 2.497 179.065 176.870 -0.504 0.000 1.092 1242 L CA 2.409 56.798 54.840 -0.752 0.000 0.759 1242 L CB -1.311 40.339 42.059 -0.681 0.000 0.903 1242 L HN 0.174 nan 8.230 nan 0.000 0.435 1243 V N -2.164 117.631 119.914 -0.198 0.000 2.407 1243 V HA -0.190 3.950 4.120 0.033 0.000 0.245 1243 V C 2.534 178.437 176.094 -0.318 0.000 1.041 1243 V CA 1.778 63.990 62.300 -0.147 0.000 1.040 1243 V CB -0.804 31.120 31.823 0.169 0.000 0.671 1243 V HN 0.528 nan 8.190 nan 0.000 0.455 1244 K N -0.528 119.703 120.400 -0.282 0.000 2.020 1244 K HA -0.248 4.091 4.320 0.033 0.000 0.212 1244 K C 2.102 178.393 176.600 -0.515 0.000 1.050 1244 K CA 2.346 58.419 56.287 -0.356 0.000 0.929 1244 K CB -0.561 31.819 32.500 -0.200 0.000 0.714 1244 K HN 0.544 nan 8.250 nan 0.000 0.443 1245 F N 1.452 120.954 119.950 -0.745 0.000 2.065 1245 F HA -0.264 4.283 4.527 0.033 0.000 0.298 1245 F C 2.064 177.506 175.800 -0.595 0.000 1.112 1245 F CA 1.654 59.235 58.000 -0.698 0.000 1.212 1245 F CB -0.303 37.963 39.000 -1.223 0.000 0.975 1245 F HN 0.071 nan 8.300 nan 0.000 0.476 1246 M N 0.152 119.148 119.600 -1.007 0.000 2.319 1246 M HA -0.124 4.375 4.480 0.033 0.000 0.265 1246 M C 2.172 177.910 176.300 -0.937 0.000 1.068 1246 M CA 1.198 55.782 55.300 -1.194 0.000 1.118 1246 M CB -1.199 30.485 32.600 -1.527 0.000 1.395 1246 M HN 0.203 nan 8.290 nan 0.000 0.435 1247 K N -0.368 119.595 120.400 -0.729 0.000 2.044 1247 K HA -0.206 4.133 4.320 0.033 0.000 0.210 1247 K C 1.784 178.187 176.600 -0.329 0.000 1.049 1247 K CA 1.788 57.852 56.287 -0.371 0.000 0.927 1247 K CB -0.063 32.228 32.500 -0.348 0.000 0.713 1247 K HN 0.463 nan 8.250 nan 0.000 0.443 1248 H N -1.152 117.736 119.070 -0.304 0.000 2.333 1248 H HA 0.007 4.583 4.556 0.033 0.000 0.302 1248 H C 2.001 177.136 175.328 -0.322 0.000 1.075 1248 H CA 0.873 56.777 56.048 -0.240 0.000 1.348 1248 H CB -0.005 29.659 29.762 -0.163 0.000 1.393 1248 H HN 0.313 nan 8.280 nan 0.000 0.509 1249 A N 0.434 122.976 122.820 -0.465 0.000 1.940 1249 A HA -0.221 4.118 4.320 0.033 0.000 0.219 1249 A C 2.422 179.684 177.584 -0.537 0.000 1.176 1249 A CA 1.991 53.601 52.037 -0.712 0.000 0.631 1249 A CB -0.719 17.512 19.000 -1.282 0.000 0.814 1249 A HN 0.325 nan 8.150 nan 0.000 0.446 1250 S N -0.712 114.758 115.700 -0.383 0.000 2.383 1250 S HA 0.041 4.530 4.470 0.033 0.000 0.227 1250 S C 2.247 176.750 174.600 -0.161 0.000 1.026 1250 S CA 1.070 59.141 58.200 -0.215 0.000 0.981 1250 S CB -0.325 62.853 63.200 -0.036 0.000 0.818 1250 S HN 0.788 nan 8.310 nan 0.000 0.472 1251 A N 0.919 123.664 122.820 -0.125 0.000 1.872 1251 A HA -0.090 4.250 4.320 0.033 0.000 0.214 1251 A C 1.841 179.375 177.584 -0.083 0.000 1.187 1251 A CA 1.881 53.874 52.037 -0.073 0.000 0.614 1251 A CB -0.982 18.002 19.000 -0.025 0.000 0.826 1251 A HN 0.662 nan 8.150 nan 0.000 0.442 1252 H N 1.042 120.005 119.070 -0.178 0.000 2.326 1252 H HA -0.041 4.534 4.556 0.033 0.000 0.301 1252 H C 1.668 176.877 175.328 -0.197 0.000 1.081 1252 H CA 1.868 57.815 56.048 -0.168 0.000 1.334 1252 H CB -0.330 29.332 29.762 -0.165 0.000 1.385 1252 H HN 0.473 nan 8.280 nan 0.000 0.504 1253 I N -1.132 119.110 120.570 -0.548 0.000 3.334 1253 I HA 0.024 4.214 4.170 0.033 0.000 0.282 1253 I C -0.316 175.566 176.117 -0.391 0.000 1.313 1253 I CA 0.905 61.870 61.300 -0.559 0.000 1.396 1253 I CB -0.561 37.149 38.000 -0.484 0.000 1.054 1253 I HN 0.296 nan 8.210 nan 0.000 0.495 1254 E N 1.140 121.170 120.200 -0.283 0.000 2.340 1254 E HA -0.191 4.179 4.350 0.033 0.000 0.240 1254 E C 1.060 177.556 176.600 -0.173 0.000 1.154 1254 E CA 0.111 56.398 56.400 -0.188 0.000 0.717 1254 E CB -0.888 28.699 29.700 -0.189 0.000 1.250 1254 E HN 0.548 nan 8.360 nan 0.000 0.386 1255 I N -0.299 120.184 120.570 -0.146 0.000 2.151 1255 I HA -0.266 3.924 4.170 0.033 0.000 0.243 1255 I C 2.226 178.294 176.117 -0.081 0.000 1.080 1255 I CA 1.739 62.959 61.300 -0.133 0.000 1.339 1255 I CB -0.880 37.076 38.000 -0.073 0.000 1.039 1255 I HN 0.310 nan 8.210 nan 0.000 0.409 1256 F N 2.438 122.321 119.950 -0.112 0.000 2.069 1256 F HA -0.264 4.282 4.527 0.033 0.000 0.298 1256 F C 2.258 178.010 175.800 -0.079 0.000 1.113 1256 F CA 1.987 59.939 58.000 -0.080 0.000 1.214 1256 F CB -0.368 38.586 39.000 -0.076 0.000 0.978 1256 F HN 0.072 nan 8.300 nan 0.000 0.474 1257 D N -0.173 120.138 120.400 -0.149 0.000 2.224 1257 D HA -0.162 4.498 4.640 0.033 0.000 0.205 1257 D C 2.267 178.425 176.300 -0.236 0.000 0.965 1257 D CA 1.053 54.922 54.000 -0.219 0.000 0.852 1257 D CB -0.292 40.472 40.800 -0.060 0.000 0.947 1257 D HN 0.399 nan 8.370 nan 0.000 0.494 1258 M N -0.300 119.147 119.600 -0.254 0.000 2.254 1258 M HA -0.109 4.391 4.480 0.033 0.000 0.265 1258 M C 1.256 177.445 176.300 -0.184 0.000 1.066 1258 M CA 1.165 56.282 55.300 -0.306 0.000 1.123 1258 M CB 0.440 32.701 32.600 -0.565 0.000 1.388 1258 M HN -0.154 nan 8.290 nan 0.000 0.425 1259 V N -1.020 118.780 119.914 -0.189 0.000 3.219 1259 V HA 0.059 4.199 4.120 0.033 0.000 0.240 1259 V C 1.625 177.678 176.094 -0.068 0.000 1.222 1259 V CA 0.475 62.731 62.300 -0.074 0.000 1.181 1259 V CB 0.655 32.443 31.823 -0.058 0.000 0.941 1259 V HN 0.412 nan 8.190 nan 0.000 0.471 1260 L N -0.506 120.548 121.223 -0.282 0.000 2.642 1260 L HA 0.331 4.691 4.340 0.033 0.000 0.233 1260 L C 0.803 177.425 176.870 -0.413 0.000 1.077 1260 L CA 0.107 54.775 54.840 -0.287 0.000 0.879 1260 L CB 0.209 42.051 42.059 -0.362 0.000 1.151 1260 L HN 0.248 nan 8.230 nan 0.000 0.495 1261 N N 1.659 119.927 118.700 -0.721 0.000 2.402 1261 N HA -0.025 4.735 4.740 0.033 0.000 0.252 1261 N C 0.908 175.908 175.510 -0.850 0.000 1.118 1261 N CA 0.113 52.778 53.050 -0.643 0.000 0.945 1261 N CB 1.291 39.498 38.487 -0.468 0.000 1.147 1261 N HN 0.272 nan 8.380 nan 0.000 0.495 1262 E N 3.554 123.210 120.200 -0.906 0.000 2.204 1262 E HA -0.133 4.237 4.350 0.033 0.000 0.194 1262 E C 0.905 176.994 176.600 -0.852 0.000 0.989 1262 E CA 1.196 56.639 56.400 -1.595 0.000 0.824 1262 E CB 0.014 29.326 29.700 -0.647 0.000 0.756 1262 E HN 0.386 nan 8.360 nan 0.000 0.477 1263 K N 0.632 120.771 120.400 -0.435 0.000 2.281 1263 K HA -0.070 4.270 4.320 0.033 0.000 0.203 1263 K C 1.472 177.962 176.600 -0.183 0.000 1.046 1263 K CA 0.980 57.129 56.287 -0.230 0.000 0.938 1263 K CB -0.100 32.315 32.500 -0.142 0.000 0.737 1263 K HN 0.371 nan 8.250 nan 0.000 0.458 1264 L N -0.260 120.822 121.223 -0.235 0.000 2.700 1264 L HA 0.145 4.505 4.340 0.033 0.000 0.234 1264 L C 1.168 178.070 176.870 0.052 0.000 1.156 1264 L CA -0.374 54.411 54.840 -0.091 0.000 0.946 1264 L CB -0.189 41.816 42.059 -0.091 0.000 1.216 1264 L HN -0.127 nan 8.230 nan 0.000 0.493 1265 F N 1.061 120.967 119.950 -0.073 0.000 2.365 1265 F HA -0.099 4.447 4.527 0.033 0.000 0.300 1265 F C 2.209 177.976 175.800 -0.055 0.000 1.090 1265 F CA 0.775 58.728 58.000 -0.079 0.000 1.408 1265 F CB -0.319 38.621 39.000 -0.100 0.000 1.060 1265 F HN 0.015 nan 8.300 nan 0.000 0.534 1266 K N 0.589 121.073 120.400 0.139 0.000 2.155 1266 K HA -0.075 4.265 4.320 0.033 0.000 0.203 1266 K C 0.267 176.897 176.600 0.050 0.000 1.052 1266 K CA 0.320 56.648 56.287 0.069 0.000 0.948 1266 K CB -0.916 31.606 32.500 0.037 0.000 0.728 1266 K HN 0.334 nan 8.250 nan 0.000 0.448 1267 N N -0.274 118.458 118.700 0.053 0.000 2.415 1267 N HA -0.033 4.727 4.740 0.033 0.000 0.248 1267 N C 0.895 176.435 175.510 0.050 0.000 1.271 1267 N CA 0.359 53.433 53.050 0.041 0.000 0.913 1267 N CB 0.799 39.306 38.487 0.032 0.000 1.129 1267 N HN 0.025 nan 8.380 nan 0.000 0.444 1268 S N 0.479 116.204 115.700 0.041 0.000 2.453 1268 S HA 0.021 4.511 4.470 0.033 0.000 0.231 1268 S C 1.673 176.320 174.600 0.078 0.000 1.005 1268 S CA 0.472 58.697 58.200 0.041 0.000 0.949 1268 S CB -0.465 62.755 63.200 0.033 0.000 0.774 1268 S HN 0.952 nan 8.310 nan 0.000 0.510 1269 G N 1.295 110.156 108.800 0.103 0.000 2.168 1269 G HA2 -0.303 3.676 3.960 0.033 0.000 0.263 1269 G HA3 -0.303 3.676 3.960 0.033 0.000 0.263 1269 G C 0.426 175.452 174.900 0.209 0.000 0.977 1269 G CA 0.561 45.770 45.100 0.181 0.000 0.659 1269 G HN 0.524 nan 8.290 nan 0.000 0.533 1270 D N 0.592 121.064 120.400 0.121 0.000 2.144 1270 D HA -0.009 4.651 4.640 0.033 0.000 0.199 1270 D C 2.348 178.705 176.300 0.096 0.000 0.984 1270 D CA 1.441 55.509 54.000 0.112 0.000 0.834 1270 D CB -0.122 40.722 40.800 0.072 0.000 0.955 1270 D HN 0.732 nan 8.370 nan 0.000 0.465 1271 E N 0.558 120.789 120.200 0.051 0.000 2.107 1271 E HA -0.084 4.285 4.350 0.033 0.000 0.191 1271 E C 1.961 178.536 176.600 -0.041 0.000 0.982 1271 E CA 0.585 56.993 56.400 0.013 0.000 0.809 1271 E CB 0.058 29.757 29.700 -0.001 0.000 0.756 1271 E HN 0.256 nan 8.360 nan 0.000 0.459 1272 K N 0.372 120.724 120.400 -0.080 0.000 2.031 1272 K HA -0.045 4.295 4.320 0.033 0.000 0.205 1272 K C 1.963 178.356 176.600 -0.345 0.000 1.049 1272 K CA 0.913 57.066 56.287 -0.224 0.000 0.939 1272 K CB -0.152 32.189 32.500 -0.265 0.000 0.717 1272 K HN 0.046 nan 8.250 nan 0.000 0.438 1273 F N 1.168 120.971 119.950 -0.244 0.000 2.216 1273 F HA -0.190 4.356 4.527 0.033 0.000 0.300 1273 F C 2.418 177.896 175.800 -0.537 0.000 1.085 1273 F CA 1.023 58.747 58.000 -0.459 0.000 1.326 1273 F CB -0.262 38.485 39.000 -0.421 0.000 1.027 1273 F HN 0.068 nan 8.300 nan 0.000 0.497 1274 A N -0.138 122.665 122.820 -0.029 0.000 1.877 1274 A HA -0.225 4.115 4.320 0.033 0.000 0.216 1274 A C 2.246 179.848 177.584 0.030 0.000 1.186 1274 A CA 1.676 53.756 52.037 0.072 0.000 0.620 1274 A CB -0.680 18.380 19.000 0.100 0.000 0.822 1274 A HN 0.293 nan 8.150 nan 0.000 0.443 1275 K N -0.711 119.658 120.400 -0.052 0.000 2.103 1275 K HA -0.177 4.163 4.320 0.033 0.000 0.207 1275 K C 1.937 178.504 176.600 -0.055 0.000 1.048 1275 K CA 1.656 57.910 56.287 -0.056 0.000 0.930 1275 K CB -0.299 32.100 32.500 -0.168 0.000 0.716 1275 K HN 0.407 nan 8.250 nan 0.000 0.444 1276 L N 0.406 121.507 121.223 -0.203 0.000 2.027 1276 L HA -0.121 4.239 4.340 0.033 0.000 0.206 1276 L C 1.913 178.772 176.870 -0.019 0.000 1.074 1276 L CA 1.672 56.395 54.840 -0.195 0.000 0.745 1276 L CB -0.540 41.277 42.059 -0.404 0.000 0.898 1276 L HN 0.040 nan 8.230 nan 0.000 0.433 1277 F N 0.018 119.971 119.950 0.006 0.000 2.216 1277 F HA -0.115 4.432 4.527 0.033 0.000 0.300 1277 F C 2.504 178.292 175.800 -0.021 0.000 1.085 1277 F CA 1.402 59.371 58.000 -0.052 0.000 1.326 1277 F CB -1.854 37.237 39.000 0.152 0.000 1.027 1277 F HN 0.094 nan 8.300 nan 0.000 0.497 1278 T N 0.453 115.155 114.554 0.247 0.000 2.746 1278 T HA -0.223 4.147 4.350 0.033 0.000 0.267 1278 T C 1.833 176.628 174.700 0.158 0.000 1.039 1278 T CA 1.372 63.585 62.100 0.188 0.000 1.142 1278 T CB -0.767 68.205 68.868 0.174 0.000 0.866 1278 T HN 0.284 nan 8.240 nan 0.000 0.444 1279 F N 1.728 121.705 119.950 0.045 0.000 2.102 1279 F HA -0.014 4.533 4.527 0.033 0.000 0.298 1279 F C 1.878 177.699 175.800 0.035 0.000 1.105 1279 F CA 1.158 59.193 58.000 0.058 0.000 1.239 1279 F CB -0.463 38.566 39.000 0.050 0.000 0.991 1279 F HN 0.034 nan 8.300 nan 0.000 0.474 1280 L N 0.334 121.432 121.223 -0.210 0.000 2.056 1280 L HA -0.225 4.135 4.340 0.033 0.000 0.207 1280 L C 2.092 178.781 176.870 -0.301 0.000 1.078 1280 L CA 1.904 56.371 54.840 -0.621 0.000 0.749 1280 L CB -0.956 40.046 42.059 -1.761 0.000 0.901 1280 L HN 0.238 nan 8.230 nan 0.000 0.433 1281 N N -0.354 118.330 118.700 -0.026 0.000 2.120 1281 N HA -0.255 4.505 4.740 0.033 0.000 0.188 1281 N C 1.794 177.394 175.510 0.150 0.000 1.024 1281 N CA 1.232 54.427 53.050 0.242 0.000 0.852 1281 N CB -0.039 38.599 38.487 0.251 0.000 1.003 1281 N HN 0.349 nan 8.380 nan 0.000 0.424 1282 E N 0.690 120.929 120.200 0.065 0.000 2.077 1282 E HA -0.190 4.180 4.350 0.033 0.000 0.193 1282 E C 1.711 178.358 176.600 0.079 0.000 0.989 1282 E CA 0.717 57.143 56.400 0.045 0.000 0.800 1282 E CB -0.140 29.572 29.700 0.020 0.000 0.746 1282 E HN 0.410 nan 8.360 nan 0.000 0.452 1283 F N 1.065 120.886 119.950 -0.215 0.000 2.095 1283 F HA -0.251 4.296 4.527 0.033 0.000 0.298 1283 F C 2.077 177.917 175.800 0.066 0.000 1.104 1283 F CA 1.525 59.441 58.000 -0.140 0.000 1.232 1283 F CB -0.028 38.816 39.000 -0.260 0.000 0.987 1283 F HN 0.138 nan 8.300 nan 0.000 0.475 1284 D N 0.363 120.920 120.400 0.261 0.000 2.149 1284 D HA -0.209 4.451 4.640 0.033 0.000 0.198 1284 D C 2.131 178.532 176.300 0.168 0.000 0.990 1284 D CA 1.435 55.639 54.000 0.340 0.000 0.839 1284 D CB -0.133 41.023 40.800 0.593 0.000 0.948 1284 D HN 0.323 nan 8.370 nan 0.000 0.460 1285 A N -0.279 122.613 122.820 0.120 0.000 1.873 1285 A HA -0.084 4.256 4.320 0.033 0.000 0.215 1285 A C 2.486 180.033 177.584 -0.061 0.000 1.186 1285 A CA 1.494 53.554 52.037 0.039 0.000 0.616 1285 A CB -0.826 18.191 19.000 0.028 0.000 0.823 1285 A HN 0.201 nan 8.150 nan 0.000 0.442 1286 V N 0.390 120.258 119.914 -0.078 0.000 2.332 1286 V HA -0.291 3.849 4.120 0.033 0.000 0.248 1286 V C 2.570 178.542 176.094 -0.203 0.000 1.055 1286 V CA 2.006 64.174 62.300 -0.221 0.000 1.038 1286 V CB -0.925 30.850 31.823 -0.080 0.000 0.651 1286 V HN 0.565 nan 8.190 nan 0.000 0.450 1287 L N -0.796 120.345 121.223 -0.138 0.000 2.042 1287 L HA -0.254 4.106 4.340 0.033 0.000 0.210 1287 L C 2.660 179.476 176.870 -0.091 0.000 1.076 1287 L CA 1.783 56.486 54.840 -0.229 0.000 0.749 1287 L CB -0.808 40.812 42.059 -0.732 0.000 0.893 1287 L HN 0.399 nan 8.230 nan 0.000 0.432 1288 C N -0.549 118.742 119.300 -0.014 0.000 2.432 1288 C HA -0.169 4.311 4.460 0.033 0.000 0.277 1288 C C 2.901 177.876 174.990 -0.025 0.000 1.249 1288 C CA 0.710 59.746 59.018 0.031 0.000 1.725 1288 C CB -0.658 27.110 27.740 0.047 0.000 2.028 1288 C HN 0.445 nan 8.230 nan 0.000 0.477 1289 K N 0.217 120.539 120.400 -0.130 0.000 2.032 1289 K HA -0.144 4.196 4.320 0.033 0.000 0.209 1289 K C 1.087 177.640 176.600 -0.079 0.000 1.048 1289 K CA 1.661 57.826 56.287 -0.204 0.000 0.927 1289 K CB -0.250 31.979 32.500 -0.452 0.000 0.712 1289 K HN 0.427 nan 8.250 nan 0.000 0.441 1290 F N 1.688 121.645 119.950 0.011 0.000 2.725 1290 F HA 0.152 4.699 4.527 0.033 0.000 0.303 1290 F C 0.098 175.876 175.800 -0.038 0.000 1.167 1290 F CA 0.160 58.159 58.000 -0.001 0.000 1.403 1290 F CB -0.588 38.415 39.000 0.005 0.000 1.077 1290 F HN 0.147 nan 8.300 nan 0.000 0.537 1291 Q N -0.352 119.524 119.800 0.126 0.000 2.463 1291 Q HA -0.163 4.197 4.340 0.033 0.000 0.299 1291 Q C -0.491 175.533 176.000 0.041 0.000 1.353 1291 Q CA -0.028 55.815 55.803 0.066 0.000 0.828 1291 Q CB -1.680 27.088 28.738 0.051 0.000 1.157 1291 Q HN 0.115 nan 8.270 nan 0.000 0.436 1292 V N 1.093 121.031 119.914 0.041 0.000 2.521 1292 V HA 0.065 4.204 4.120 0.033 0.000 0.286 1292 V C 1.130 177.244 176.094 0.034 0.000 1.034 1292 V CA -0.084 62.223 62.300 0.013 0.000 1.045 1292 V CB 1.154 32.944 31.823 -0.055 0.000 0.974 1292 V HN 0.214 nan 8.190 nan 0.000 0.480 1293 V N 5.205 125.126 119.914 0.011 0.000 3.061 1293 V HA -0.059 4.081 4.120 0.033 0.000 0.306 1293 V C 1.512 177.629 176.094 0.037 0.000 1.118 1293 V CA 0.197 62.502 62.300 0.008 0.000 1.231 1293 V CB 0.159 31.971 31.823 -0.018 0.000 0.956 1293 V HN 0.937 nan 8.190 nan 0.000 0.499 1294 D N 2.275 122.685 120.400 0.016 0.000 2.087 1294 D HA -0.173 4.487 4.640 0.033 0.000 0.192 1294 D C 2.234 178.559 176.300 0.041 0.000 0.993 1294 D CA 2.041 56.046 54.000 0.009 0.000 0.828 1294 D CB -0.158 40.621 40.800 -0.036 0.000 0.968 1294 D HN 0.807 nan 8.370 nan 0.000 0.448 1295 S N 0.703 116.427 115.700 0.039 0.000 2.383 1295 S HA -0.210 4.280 4.470 0.033 0.000 0.229 1295 S C 1.961 176.607 174.600 0.076 0.000 1.030 1295 S CA 1.084 59.337 58.200 0.089 0.000 1.002 1295 S CB -0.290 62.974 63.200 0.107 0.000 0.829 1295 S HN 0.079 nan 8.310 nan 0.000 0.467 1296 M N 1.297 120.919 119.600 0.036 0.000 2.319 1296 M HA 0.030 4.530 4.480 0.033 0.000 0.265 1296 M C 1.998 178.291 176.300 -0.012 0.000 1.068 1296 M CA 1.341 56.636 55.300 -0.008 0.000 1.118 1296 M CB -0.757 31.831 32.600 -0.018 0.000 1.395 1296 M HN 0.474 nan 8.290 nan 0.000 0.435 1297 H N -0.995 118.003 119.070 -0.121 0.000 2.363 1297 H HA -0.035 4.541 4.556 0.033 0.000 0.301 1297 H C 1.912 177.055 175.328 -0.308 0.000 1.074 1297 H CA 2.082 57.972 56.048 -0.263 0.000 1.354 1297 H CB -0.303 29.328 29.762 -0.219 0.000 1.397 1297 H HN 0.507 nan 8.280 nan 0.000 0.516 1298 T N -1.009 113.603 114.554 0.096 0.000 2.867 1298 T HA -0.108 4.262 4.350 0.033 0.000 0.268 1298 T C 2.108 176.883 174.700 0.125 0.000 1.057 1298 T CA 1.566 63.751 62.100 0.142 0.000 1.136 1298 T CB -0.093 68.862 68.868 0.145 0.000 0.874 1298 T HN 0.294 nan 8.240 nan 0.000 0.466 1299 K N 0.029 120.438 120.400 0.014 0.000 2.097 1299 K HA -0.048 4.292 4.320 0.033 0.000 0.206 1299 K C 2.106 178.759 176.600 0.089 0.000 1.049 1299 K CA 1.234 57.495 56.287 -0.044 0.000 0.933 1299 K CB -0.201 32.113 32.500 -0.311 0.000 0.717 1299 K HN 0.291 nan 8.250 nan 0.000 0.442 1300 I N 0.973 121.593 120.570 0.083 0.000 2.286 1300 I HA -0.225 3.965 4.170 0.033 0.000 0.248 1300 I C 2.033 178.340 176.117 0.315 0.000 1.115 1300 I CA 1.252 62.673 61.300 0.203 0.000 1.392 1300 I CB -1.204 36.822 38.000 0.043 0.000 1.065 1300 I HN 0.100 nan 8.210 nan 0.000 0.418 1301 F N 1.424 121.508 119.950 0.224 0.000 2.163 1301 F HA -0.109 4.439 4.527 0.034 0.000 0.297 1301 F C 2.337 178.286 175.800 0.249 0.000 1.094 1301 F CA 0.847 59.045 58.000 0.331 0.000 1.290 1301 F CB -1.682 37.590 39.000 0.453 0.000 1.017 1301 F HN 0.221 nan 8.300 nan 0.000 0.483 1302 N N 0.166 119.081 118.700 0.360 0.000 2.094 1302 N HA -0.197 4.563 4.740 0.033 0.000 0.191 1302 N C 1.281 176.938 175.510 0.245 0.000 1.023 1302 N CA 1.604 54.793 53.050 0.233 0.000 0.857 1302 N CB -0.211 38.389 38.487 0.188 0.000 1.013 1302 N HN 0.142 nan 8.380 nan 0.000 0.426 1303 D N -0.369 120.180 120.400 0.250 0.000 2.183 1303 D HA -0.053 4.607 4.640 0.033 0.000 0.203 1303 D C 1.808 178.272 176.300 0.273 0.000 0.969 1303 D CA 0.918 55.055 54.000 0.228 0.000 0.842 1303 D CB -0.496 40.176 40.800 -0.214 0.000 0.957 1303 D HN 0.214 nan 8.370 nan 0.000 0.484 1304 T N 1.252 115.991 114.554 0.308 0.000 2.652 1304 T HA -0.102 4.268 4.350 0.033 0.000 0.267 1304 T C 2.183 177.068 174.700 0.308 0.000 1.039 1304 T CA 0.711 63.032 62.100 0.369 0.000 1.153 1304 T CB -0.288 68.941 68.868 0.601 0.000 0.863 1304 T HN 0.142 nan 8.240 nan 0.000 0.428 1305 L N 0.380 121.723 121.223 0.200 0.000 2.141 1305 L HA -0.064 4.296 4.340 0.033 0.000 0.209 1305 L C 2.581 179.549 176.870 0.164 0.000 1.094 1305 L CA 1.229 56.119 54.840 0.083 0.000 0.763 1305 L CB -0.457 41.541 42.059 -0.100 0.000 0.908 1305 L HN 0.256 nan 8.230 nan 0.000 0.437 1306 K N -0.765 119.788 120.400 0.254 0.000 2.147 1306 K HA -0.225 4.115 4.320 0.033 0.000 0.205 1306 K C 2.073 178.831 176.600 0.264 0.000 1.049 1306 K CA 1.477 57.919 56.287 0.258 0.000 0.936 1306 K CB -0.302 32.404 32.500 0.343 0.000 0.722 1306 K HN 0.199 nan 8.250 nan 0.000 0.446 1307 Y N 1.765 122.226 120.300 0.268 0.000 2.181 1307 Y HA -0.176 4.393 4.550 0.033 0.000 0.288 1307 Y C 1.831 177.784 175.900 0.089 0.000 1.146 1307 Y CA 1.326 59.534 58.100 0.181 0.000 1.164 1307 Y CB -0.086 38.483 38.460 0.181 0.000 0.982 1307 Y HN -0.093 nan 8.280 nan 0.000 0.515 1308 L N 0.128 121.505 121.223 0.257 0.000 2.141 1308 L HA -0.212 4.147 4.340 0.033 0.000 0.209 1308 L C 2.269 179.167 176.870 0.047 0.000 1.094 1308 L CA 1.476 56.405 54.840 0.148 0.000 0.763 1308 L CB -0.764 41.388 42.059 0.154 0.000 0.908 1308 L HN 0.295 nan 8.230 nan 0.000 0.437 1309 N N 0.268 119.000 118.700 0.053 0.000 2.036 1309 N HA -0.200 4.559 4.740 0.033 0.000 0.195 1309 N C 1.732 177.253 175.510 0.018 0.000 1.037 1309 N CA 1.830 54.904 53.050 0.040 0.000 0.855 1309 N CB -0.259 38.249 38.487 0.034 0.000 1.033 1309 N HN 0.020 nan 8.380 nan 0.000 0.423 1310 V N 0.807 120.675 119.914 -0.077 0.000 2.287 1310 V HA -0.233 3.907 4.120 0.033 0.000 0.248 1310 V C 2.402 178.434 176.094 -0.104 0.000 1.053 1310 V CA 2.047 64.275 62.300 -0.118 0.000 1.027 1310 V CB -0.618 31.037 31.823 -0.280 0.000 0.646 1310 V HN 0.538 nan 8.190 nan 0.000 0.447 1311 M N -0.910 118.557 119.600 -0.222 0.000 2.288 1311 M HA -0.053 4.447 4.480 0.033 0.000 0.266 1311 M C 2.046 178.338 176.300 -0.014 0.000 1.072 1311 M CA 1.765 56.966 55.300 -0.164 0.000 1.132 1311 M CB -0.222 32.240 32.600 -0.229 0.000 1.386 1311 M HN 0.291 nan 8.290 nan 0.000 0.432 1312 L N -0.528 120.717 121.223 0.036 0.000 2.072 1312 L HA -0.177 4.183 4.340 0.033 0.000 0.205 1312 L C 2.418 179.348 176.870 0.099 0.000 1.079 1312 L CA 1.103 55.996 54.840 0.089 0.000 0.752 1312 L CB -0.748 41.366 42.059 0.091 0.000 0.906 1312 L HN 0.245 nan 8.230 nan 0.000 0.436 1313 F N 1.148 121.089 119.950 -0.015 0.000 2.128 1313 F HA -0.154 4.394 4.527 0.034 0.000 0.295 1313 F C 2.350 178.137 175.800 -0.020 0.000 1.100 1313 F CA 1.403 59.393 58.000 -0.016 0.000 1.260 1313 F CB -0.248 38.728 39.000 -0.040 0.000 1.009 1313 F HN 0.066 nan 8.300 nan 0.000 0.476 1314 N N 0.873 119.580 118.700 0.012 0.000 2.104 1314 N HA -0.185 4.574 4.740 0.033 0.000 0.190 1314 N C 1.445 176.859 175.510 -0.159 0.000 1.024 1314 N CA 1.725 54.724 53.050 -0.086 0.000 0.853 1314 N CB -0.733 37.744 38.487 -0.016 0.000 1.008 1314 N HN 0.324 nan 8.380 nan 0.000 0.424 1315 D N 0.407 120.754 120.400 -0.089 0.000 2.144 1315 D HA -0.087 4.573 4.640 0.033 0.000 0.200 1315 D C 2.040 178.330 176.300 -0.016 0.000 0.978 1315 D CA 0.240 54.203 54.000 -0.062 0.000 0.833 1315 D CB -0.321 40.541 40.800 0.103 0.000 0.961 1315 D HN 0.149 nan 8.370 nan 0.000 0.470 1316 L N 0.371 121.560 121.223 -0.056 0.000 2.042 1316 L HA -0.161 4.199 4.340 0.033 0.000 0.210 1316 L C 1.817 178.555 176.870 -0.221 0.000 1.076 1316 L CA 1.385 56.171 54.840 -0.090 0.000 0.749 1316 L CB -0.244 41.722 42.059 -0.156 0.000 0.893 1316 L HN -0.072 nan 8.230 nan 0.000 0.432 1317 I N -0.357 119.996 120.570 -0.363 0.000 2.353 1317 I HA -0.159 4.031 4.170 0.033 0.000 0.248 1317 I C 2.454 178.456 176.117 -0.192 0.000 1.119 1317 I CA 1.774 62.882 61.300 -0.320 0.000 1.417 1317 I CB -1.642 36.120 38.000 -0.397 0.000 1.078 1317 I HN 0.569 nan 8.210 nan 0.000 0.421 1318 T N -3.034 111.417 114.554 -0.172 0.000 3.039 1318 T HA 0.071 4.441 4.350 0.033 0.000 0.250 1318 T C 1.673 176.282 174.700 -0.151 0.000 1.052 1318 T CA 0.274 62.286 62.100 -0.147 0.000 1.125 1318 T CB 0.015 68.797 68.868 -0.144 0.000 0.908 1318 T HN 0.180 nan 8.240 nan 0.000 0.473 1319 K N -0.137 120.164 120.400 -0.164 0.000 2.355 1319 K HA 0.330 4.670 4.320 0.033 0.000 0.198 1319 K C -0.350 176.228 176.600 -0.036 0.000 1.039 1319 K CA -0.220 55.956 56.287 -0.185 0.000 1.075 1319 K CB 0.538 32.747 32.500 -0.486 0.000 0.870 1319 K HN 0.279 nan 8.250 nan 0.000 0.540 1320 C N 2.799 122.088 119.300 -0.019 0.000 2.264 1320 C HA 0.255 4.735 4.460 0.033 0.000 0.322 1320 C C -1.324 173.584 174.990 -0.136 0.000 1.210 1320 C CA -1.491 57.506 59.018 -0.035 0.000 1.539 1320 C CB 1.025 28.724 27.740 -0.068 0.000 2.167 1320 C HN 0.279 nan 8.230 nan 0.000 0.463 1321 P HA 0.063 nan 4.420 nan 0.000 0.221 1321 P C 0.190 177.396 177.300 -0.157 0.000 1.155 1321 P CA 1.064 64.089 63.100 -0.124 0.000 0.812 1321 P CB 0.455 32.099 31.700 -0.094 0.000 0.801 1322 A N -0.044 122.652 122.820 -0.207 0.000 2.386 1322 A HA 0.733 5.073 4.320 0.033 0.000 0.311 1322 A C -1.020 176.338 177.584 -0.377 0.000 1.068 1322 A CA -0.630 51.267 52.037 -0.234 0.000 0.743 1322 A CB 0.991 19.886 19.000 -0.176 0.000 1.258 1322 A HN -0.003 nan 8.150 nan 0.000 0.429 1323 L N 2.024 123.000 121.223 -0.412 0.000 2.388 1323 L HA 0.653 5.013 4.340 0.033 0.000 0.264 1323 L C -0.644 175.865 176.870 -0.602 0.000 0.998 1323 L CA -0.887 53.635 54.840 -0.530 0.000 0.817 1323 L CB 2.570 44.365 42.059 -0.441 0.000 1.338 1323 L HN 1.051 nan 8.230 nan 0.000 0.414 1324 N N -0.671 117.767 118.700 -0.437 0.000 3.179 1324 N HA 0.143 4.903 4.740 0.033 0.000 0.250 1324 N C 0.256 175.730 175.510 -0.060 0.000 1.507 1324 N CA -0.983 51.726 53.050 -0.568 0.000 0.883 1324 N CB 0.198 38.393 38.487 -0.486 0.000 1.435 1324 N HN 0.734 nan 8.380 nan 0.000 0.532 1325 W N -0.381 121.015 121.300 0.160 0.000 2.321 1325 W HA -0.066 4.614 4.660 0.033 0.000 0.306 1325 W C 0.842 177.553 176.519 0.321 0.000 1.217 1325 W CA 1.561 59.079 57.345 0.288 0.000 1.257 1325 W CB -0.819 28.827 29.460 0.310 0.000 1.145 1325 W HN 0.461 nan 8.180 nan 0.000 0.509 1326 K N 1.003 120.837 120.400 -0.944 0.000 2.002 1326 K HA -0.223 4.117 4.320 0.033 0.000 0.209 1326 K C 2.094 178.556 176.600 -0.231 0.000 1.048 1326 K CA 1.988 57.731 56.287 -0.907 0.000 0.930 1326 K CB -1.798 30.057 32.500 -1.075 0.000 0.714 1326 K HN 0.355 nan 8.250 nan 0.000 0.438 1327 Y N 0.513 120.688 120.300 -0.209 0.000 2.132 1327 Y HA -0.300 4.270 4.550 0.033 0.000 0.280 1327 Y C 1.981 177.869 175.900 -0.021 0.000 1.193 1327 Y CA 2.430 60.526 58.100 -0.007 0.000 1.157 1327 Y CB -0.701 37.760 38.460 0.003 0.000 0.966 1327 Y HN 0.165 nan 8.280 nan 0.000 0.511 1328 G N -1.212 107.691 108.800 0.171 0.000 2.446 1328 G HA2 -0.326 3.654 3.960 0.033 0.000 0.217 1328 G HA3 -0.326 3.654 3.960 0.033 0.000 0.217 1328 G C 1.332 176.158 174.900 -0.123 0.000 1.168 1328 G CA 1.190 46.322 45.100 0.053 0.000 0.771 1328 G HN 0.544 nan 8.290 nan 0.000 0.551 1329 Y N 1.228 121.482 120.300 -0.077 0.000 2.181 1329 Y HA -0.087 4.483 4.550 0.033 0.000 0.288 1329 Y C 3.048 178.800 175.900 -0.246 0.000 1.146 1329 Y CA 1.554 59.596 58.100 -0.098 0.000 1.164 1329 Y CB 0.063 38.510 38.460 -0.022 0.000 0.982 1329 Y HN 0.168 nan 8.280 nan 0.000 0.515 1330 E N -0.361 119.659 120.200 -0.300 0.000 2.051 1330 E HA -0.171 4.199 4.350 0.033 0.000 0.192 1330 E C 2.395 178.633 176.600 -0.603 0.000 0.991 1330 E CA 1.563 57.576 56.400 -0.646 0.000 0.799 1330 E CB -0.698 28.134 29.700 -1.448 0.000 0.748 1330 E HN 0.320 nan 8.360 nan 0.000 0.449 1331 V N 1.702 121.275 119.914 -0.568 0.000 2.427 1331 V HA -0.238 3.902 4.120 0.033 0.000 0.248 1331 V C 2.213 178.201 176.094 -0.177 0.000 1.051 1331 V CA 1.995 64.089 62.300 -0.344 0.000 1.048 1331 V CB -0.650 30.994 31.823 -0.298 0.000 0.666 1331 V HN 0.211 nan 8.190 nan 0.000 0.456 1332 D N 0.162 120.461 120.400 -0.167 0.000 2.123 1332 D HA -0.229 4.431 4.640 0.033 0.000 0.196 1332 D C 2.343 178.598 176.300 -0.074 0.000 0.992 1332 D CA 1.575 55.513 54.000 -0.103 0.000 0.833 1332 D CB -0.112 40.601 40.800 -0.145 0.000 0.954 1332 D HN 0.279 nan 8.370 nan 0.000 0.455 1333 R N -0.357 120.080 120.500 -0.103 0.000 2.091 1333 R HA -0.117 4.243 4.340 0.033 0.000 0.238 1333 R C 2.051 178.307 176.300 -0.074 0.000 1.136 1333 R CA 1.487 57.534 56.100 -0.087 0.000 0.959 1333 R CB -0.225 30.004 30.300 -0.119 0.000 0.856 1333 R HN 0.295 nan 8.270 nan 0.000 0.437 1334 N N 0.527 119.191 118.700 -0.060 0.000 2.142 1334 N HA -0.119 4.641 4.740 0.033 0.000 0.186 1334 N C 1.842 177.454 175.510 0.169 0.000 1.023 1334 N CA 1.178 54.283 53.050 0.090 0.000 0.852 1334 N CB -0.163 38.394 38.487 0.117 0.000 0.998 1334 N HN 0.227 nan 8.380 nan 0.000 0.424 1335 I N 1.319 121.941 120.570 0.088 0.000 2.179 1335 I HA -0.240 3.950 4.170 0.033 0.000 0.242 1335 I C 2.459 178.655 176.117 0.131 0.000 1.088 1335 I CA 1.108 62.478 61.300 0.116 0.000 1.357 1335 I CB -0.263 37.775 38.000 0.064 0.000 1.051 1335 I HN 0.217 nan 8.210 nan 0.000 0.409 1336 E N 1.220 121.464 120.200 0.072 0.000 2.097 1336 E HA -0.303 4.066 4.350 0.033 0.000 0.196 1336 E C 2.374 179.029 176.600 0.092 0.000 1.000 1336 E CA 1.417 57.860 56.400 0.070 0.000 0.804 1336 E CB -0.027 29.688 29.700 0.024 0.000 0.740 1336 E HN 0.272 nan 8.360 nan 0.000 0.454 1337 R N 0.356 120.868 120.500 0.020 0.000 2.080 1337 R HA -0.166 4.194 4.340 0.033 0.000 0.236 1337 R C 2.695 179.167 176.300 0.285 0.000 1.137 1337 R CA 1.594 57.673 56.100 -0.035 0.000 0.943 1337 R CB -0.471 29.474 30.300 -0.592 0.000 0.846 1337 R HN 0.320 nan 8.270 nan 0.000 0.431 1338 L N 0.301 121.796 121.223 0.453 0.000 2.043 1338 L HA -0.205 4.155 4.340 0.033 0.000 0.212 1338 L C 2.023 179.269 176.870 0.626 0.000 1.075 1338 L CA 1.436 56.633 54.840 0.595 0.000 0.752 1338 L CB -0.139 42.175 42.059 0.426 0.000 0.891 1338 L HN 0.123 nan 8.230 nan 0.000 0.432 1339 V N -0.427 119.758 119.914 0.451 0.000 3.041 1339 V HA -0.162 3.978 4.120 0.033 0.000 0.260 1339 V C 2.596 178.946 176.094 0.427 0.000 1.105 1339 V CA 1.284 63.855 62.300 0.451 0.000 1.125 1339 V CB 0.081 32.044 31.823 0.234 0.000 0.730 1339 V HN 0.733 nan 8.190 nan 0.000 0.479 1340 S N -0.971 114.924 115.700 0.326 0.000 2.399 1340 S HA -0.303 4.187 4.470 0.033 0.000 0.231 1340 S C 1.669 176.316 174.600 0.078 0.000 1.022 1340 S CA 1.430 59.730 58.200 0.167 0.000 0.983 1340 S CB -0.819 62.440 63.200 0.099 0.000 0.803 1340 S HN 0.760 nan 8.310 nan 0.000 0.480 1341 W N 1.494 122.775 121.300 -0.032 0.000 2.363 1341 W HA 0.038 4.717 4.660 0.032 0.000 0.296 1341 W C 1.145 177.499 176.519 -0.274 0.000 1.212 1341 W CA 1.134 58.304 57.345 -0.292 0.000 1.260 1341 W CB -0.242 29.031 29.460 -0.312 0.000 1.131 1341 W HN 0.316 nan 8.180 nan 0.000 0.530 1342 F N -0.222 119.845 119.950 0.195 0.000 2.754 1342 F HA 0.110 4.657 4.527 0.033 0.000 0.297 1342 F C 2.108 177.883 175.800 -0.042 0.000 1.122 1342 F CA 0.925 58.974 58.000 0.081 0.000 1.400 1342 F CB -0.698 38.442 39.000 0.233 0.000 1.117 1342 F HN -0.148 nan 8.300 nan 0.000 0.587 1343 E N 1.012 121.274 120.200 0.104 0.000 2.106 1343 E HA -0.109 4.261 4.350 0.033 0.000 0.192 1343 E C -0.689 175.899 176.600 -0.020 0.000 0.984 1343 E CA 0.863 57.297 56.400 0.057 0.000 0.806 1343 E CB -0.702 29.029 29.700 0.052 0.000 0.750 1343 E HN 0.196 nan 8.360 nan 0.000 0.458 1344 P HA -0.016 nan 4.420 nan 0.000 0.245 1344 P C 0.235 177.462 177.300 -0.122 0.000 1.212 1344 P CA 0.725 63.746 63.100 -0.131 0.000 0.774 1344 P CB 0.237 31.811 31.700 -0.211 0.000 0.999 1345 R N -0.483 119.961 120.500 -0.093 0.000 2.225 1345 R HA 0.325 4.685 4.340 0.033 0.000 0.194 1345 R C 1.369 177.722 176.300 0.089 0.000 0.949 1345 R CA 0.292 56.372 56.100 -0.033 0.000 1.088 1345 R CB 0.382 30.637 30.300 -0.074 0.000 1.106 1345 R HN 0.211 nan 8.270 nan 0.000 0.566 1346 I N -1.757 118.894 120.570 0.134 0.000 3.145 1346 I HA 0.283 4.472 4.170 0.033 0.000 0.313 1346 I C 0.749 176.934 176.117 0.113 0.000 1.122 1346 I CA -0.645 60.748 61.300 0.155 0.000 0.987 1346 I CB 2.388 40.534 38.000 0.245 0.000 1.236 1346 I HN -0.004 nan 8.210 nan 0.000 0.453 1347 E N 1.440 121.701 120.200 0.102 0.000 2.035 1347 E HA -0.266 4.104 4.350 0.033 0.000 0.204 1347 E C -0.312 176.335 176.600 0.079 0.000 1.025 1347 E CA 2.134 58.583 56.400 0.080 0.000 0.835 1347 E CB 0.200 29.949 29.700 0.081 0.000 0.764 1347 E HN 0.749 nan 8.360 nan 0.000 0.457 1348 D N -1.903 118.551 120.400 0.091 0.000 2.871 1348 D HA 0.016 4.676 4.640 0.033 0.000 0.209 1348 D C 0.098 176.452 176.300 0.090 0.000 1.292 1348 D CA -0.015 54.036 54.000 0.085 0.000 0.869 1348 D CB 1.899 42.742 40.800 0.073 0.000 1.663 1348 D HN -0.013 nan 8.370 nan 0.000 0.557 1349 V N 2.129 122.094 119.914 0.086 0.000 3.590 1349 V HA 0.292 4.432 4.120 0.033 0.000 0.265 1349 V C 1.943 178.064 176.094 0.045 0.000 1.239 1349 V CA 0.386 62.721 62.300 0.058 0.000 1.117 1349 V CB -0.255 31.574 31.823 0.009 0.000 0.818 1349 V HN 0.404 nan 8.190 nan 0.000 0.451 1350 R N 0.921 121.458 120.500 0.061 0.000 2.115 1350 R HA 0.034 4.394 4.340 0.033 0.000 0.230 1350 R C -0.208 176.132 176.300 0.066 0.000 1.111 1350 R CA 1.564 57.700 56.100 0.060 0.000 0.976 1350 R CB -1.491 28.849 30.300 0.066 0.000 0.870 1350 R HN 0.470 nan 8.270 nan 0.000 0.445 1351 P HA -0.166 nan 4.420 nan 0.000 0.216 1351 P C 0.281 177.631 177.300 0.083 0.000 1.150 1351 P CA 1.242 64.396 63.100 0.091 0.000 0.843 1351 P CB -0.099 31.660 31.700 0.098 0.000 0.787 1352 N N -0.706 118.042 118.700 0.080 0.000 2.348 1352 N HA -0.100 4.660 4.740 0.033 0.000 0.185 1352 N C 1.018 176.565 175.510 0.062 0.000 1.019 1352 N CA 0.996 54.096 53.050 0.084 0.000 0.880 1352 N CB -0.285 38.254 38.487 0.087 0.000 0.965 1352 N HN 0.299 nan 8.380 nan 0.000 0.437 1353 L N 0.341 121.592 121.223 0.047 0.000 3.017 1353 L HA 0.205 4.565 4.340 0.033 0.000 0.255 1353 L C 1.420 178.303 176.870 0.022 0.000 1.247 1353 L CA -0.301 54.561 54.840 0.038 0.000 1.038 1353 L CB 0.250 42.334 42.059 0.041 0.000 1.380 1353 L HN -0.110 nan 8.230 nan 0.000 0.548 1354 I N 0.860 121.436 120.570 0.011 0.000 2.151 1354 I HA -0.319 3.871 4.170 0.033 0.000 0.243 1354 I C 2.347 178.414 176.117 -0.083 0.000 1.080 1354 I CA 1.974 63.261 61.300 -0.023 0.000 1.339 1354 I CB 0.079 38.076 38.000 -0.005 0.000 1.039 1354 I HN 0.328 nan 8.210 nan 0.000 0.409 1355 Q N -0.348 119.383 119.800 -0.115 0.000 2.050 1355 Q HA -0.148 4.212 4.340 0.033 0.000 0.202 1355 Q C 2.167 178.136 176.000 -0.051 0.000 0.980 1355 Q CA 2.032 57.711 55.803 -0.208 0.000 0.840 1355 Q CB -0.534 27.942 28.738 -0.437 0.000 0.898 1355 Q HN 0.612 nan 8.270 nan 0.000 0.424 1356 I N -0.199 120.401 120.570 0.050 0.000 2.353 1356 I HA -0.154 4.036 4.170 0.033 0.000 0.248 1356 I C 1.634 177.797 176.117 0.076 0.000 1.119 1356 I CA 0.999 62.393 61.300 0.157 0.000 1.417 1356 I CB -0.132 37.954 38.000 0.144 0.000 1.078 1356 I HN 0.189 nan 8.210 nan 0.000 0.421 1357 I N 0.294 120.883 120.570 0.031 0.000 2.151 1357 I HA -0.376 3.814 4.170 0.033 0.000 0.243 1357 I C 2.455 178.553 176.117 -0.031 0.000 1.080 1357 I CA 1.737 63.042 61.300 0.008 0.000 1.339 1357 I CB -0.459 37.553 38.000 0.020 0.000 1.039 1357 I HN 0.338 nan 8.210 nan 0.000 0.409 1358 Q N 0.129 119.892 119.800 -0.062 0.000 2.172 1358 Q HA -0.125 4.234 4.340 0.033 0.000 0.200 1358 Q C 2.460 178.287 176.000 -0.288 0.000 0.964 1358 Q CA 1.381 57.091 55.803 -0.156 0.000 0.855 1358 Q CB -0.242 28.425 28.738 -0.118 0.000 0.918 1358 Q HN 0.594 nan 8.270 nan 0.000 0.444 1359 A N 0.419 123.170 122.820 -0.116 0.000 1.883 1359 A HA -0.148 4.192 4.320 0.033 0.000 0.217 1359 A C 2.270 179.812 177.584 -0.070 0.000 1.186 1359 A CA 1.415 53.424 52.037 -0.048 0.000 0.624 1359 A CB -0.664 18.433 19.000 0.162 0.000 0.822 1359 A HN 0.221 nan 8.150 nan 0.000 0.444 1360 V N -0.119 119.776 119.914 -0.031 0.000 2.667 1360 V HA -0.177 3.963 4.120 0.033 0.000 0.252 1360 V C 2.323 178.370 176.094 -0.077 0.000 1.065 1360 V CA 2.059 64.353 62.300 -0.011 0.000 1.083 1360 V CB -0.528 31.293 31.823 -0.004 0.000 0.692 1360 V HN 0.539 nan 8.190 nan 0.000 0.468 1361 K N -0.149 120.161 120.400 -0.151 0.000 2.103 1361 K HA -0.001 4.338 4.320 0.033 0.000 0.204 1361 K C 2.029 178.483 176.600 -0.245 0.000 1.052 1361 K CA 1.151 57.340 56.287 -0.163 0.000 0.945 1361 K CB -0.206 32.226 32.500 -0.113 0.000 0.722 1361 K HN 0.344 nan 8.250 nan 0.000 0.443 1362 I N 1.470 121.757 120.570 -0.472 0.000 2.194 1362 I HA -0.335 3.855 4.170 0.033 0.000 0.246 1362 I C 2.131 178.205 176.117 -0.071 0.000 1.093 1362 I CA 1.390 62.431 61.300 -0.432 0.000 1.355 1362 I CB -0.236 37.425 38.000 -0.564 0.000 1.046 1362 I HN 0.123 nan 8.210 nan 0.000 0.413 1363 L N -0.372 120.866 121.223 0.024 0.000 2.017 1363 L HA -0.243 4.116 4.340 0.033 0.000 0.208 1363 L C 2.474 179.521 176.870 0.294 0.000 1.073 1363 L CA 1.425 56.397 54.840 0.219 0.000 0.745 1363 L CB -0.612 41.568 42.059 0.201 0.000 0.894 1363 L HN 0.282 nan 8.230 nan 0.000 0.432 1364 Q N -0.266 119.645 119.800 0.186 0.000 2.437 1364 Q HA -0.121 4.239 4.340 0.033 0.000 0.210 1364 Q C 2.155 178.300 176.000 0.241 0.000 0.972 1364 Q CA 0.859 56.812 55.803 0.249 0.000 0.903 1364 Q CB 0.027 28.752 28.738 -0.022 0.000 0.967 1364 Q HN 0.550 nan 8.270 nan 0.000 0.486 1365 L N 0.936 122.261 121.223 0.171 0.000 2.375 1365 L HA -0.007 4.353 4.340 0.033 0.000 0.215 1365 L C 0.380 177.330 176.870 0.133 0.000 1.108 1365 L CA 0.062 54.993 54.840 0.152 0.000 0.830 1365 L CB -0.141 42.026 42.059 0.180 0.000 0.959 1365 L HN 0.213 nan 8.230 nan 0.000 0.457 1366 K N 2.238 122.725 120.400 0.145 0.000 3.834 1366 K HA -0.229 4.111 4.320 0.033 0.000 0.276 1366 K C -0.002 176.623 176.600 0.042 0.000 0.850 1366 K CA 0.400 56.729 56.287 0.070 0.000 0.704 1366 K CB -2.026 30.525 32.500 0.086 0.000 1.644 1366 K HN 0.439 nan 8.250 nan 0.000 0.440 1367 I N -1.611 119.010 120.570 0.085 0.000 2.823 1367 I HA 0.188 4.378 4.170 0.033 0.000 0.290 1367 I C -0.154 176.002 176.117 0.064 0.000 1.091 1367 I CA -0.018 61.344 61.300 0.104 0.000 1.365 1367 I CB 1.667 39.784 38.000 0.195 0.000 1.427 1367 I HN 0.382 nan 8.210 nan 0.000 0.583 1368 S N 4.011 119.743 115.700 0.052 0.000 3.101 1368 S HA 0.166 4.656 4.470 0.033 0.000 0.252 1368 S C -0.162 174.450 174.600 0.019 0.000 0.920 1368 S CA -0.562 57.649 58.200 0.018 0.000 1.158 1368 S CB -0.510 62.681 63.200 -0.014 0.000 1.125 1368 S HN 0.899 nan 8.310 nan 0.000 0.608 1369 N N 0.895 119.621 118.700 0.043 0.000 2.346 1369 N HA 0.399 5.159 4.740 0.033 0.000 0.289 1369 N C 0.777 176.318 175.510 0.052 0.000 1.027 1369 N CA -0.753 52.314 53.050 0.029 0.000 0.864 1369 N CB 0.986 39.483 38.487 0.017 0.000 1.370 1369 N HN -0.072 nan 8.380 nan 0.000 0.481 1370 L N 3.635 124.866 121.223 0.014 0.000 2.103 1370 L HA -0.231 4.129 4.340 0.033 0.000 0.215 1370 L C 1.232 178.105 176.870 0.005 0.000 1.080 1370 L CA 1.893 56.730 54.840 -0.005 0.000 0.764 1370 L CB -0.980 41.031 42.059 -0.079 0.000 0.890 1370 L HN 0.730 nan 8.230 nan 0.000 0.435 1371 N N -0.292 118.403 118.700 -0.008 0.000 2.120 1371 N HA -0.222 4.538 4.740 0.033 0.000 0.188 1371 N C 1.820 177.338 175.510 0.014 0.000 1.024 1371 N CA 1.592 54.632 53.050 -0.016 0.000 0.852 1371 N CB -0.216 38.258 38.487 -0.021 0.000 1.003 1371 N HN 0.596 nan 8.380 nan 0.000 0.424 1372 E N 0.073 120.298 120.200 0.041 0.000 2.051 1372 E HA -0.168 4.201 4.350 0.033 0.000 0.192 1372 E C 1.808 178.461 176.600 0.088 0.000 0.991 1372 E CA 0.731 57.159 56.400 0.046 0.000 0.799 1372 E CB -0.146 29.587 29.700 0.055 0.000 0.748 1372 E HN 0.240 nan 8.360 nan 0.000 0.449 1373 F N 1.501 121.472 119.950 0.035 0.000 2.095 1373 F HA -0.199 4.348 4.527 0.033 0.000 0.298 1373 F C 2.198 178.088 175.800 0.151 0.000 1.104 1373 F CA 1.709 59.780 58.000 0.118 0.000 1.232 1373 F CB 0.027 39.108 39.000 0.135 0.000 0.987 1373 F HN -0.122 nan 8.300 nan 0.000 0.475 1374 K N 0.148 120.647 120.400 0.166 0.000 2.097 1374 K HA -0.177 4.163 4.320 0.033 0.000 0.206 1374 K C 2.193 178.807 176.600 0.023 0.000 1.049 1374 K CA 1.473 57.788 56.287 0.046 0.000 0.933 1374 K CB -0.382 32.056 32.500 -0.103 0.000 0.717 1374 K HN 0.348 nan 8.250 nan 0.000 0.442 1375 L N 0.622 121.837 121.223 -0.013 0.000 2.017 1375 L HA -0.200 4.160 4.340 0.033 0.000 0.208 1375 L C 2.122 178.938 176.870 -0.090 0.000 1.073 1375 L CA 1.327 56.142 54.840 -0.041 0.000 0.745 1375 L CB -0.140 41.884 42.059 -0.059 0.000 0.894 1375 L HN 0.269 nan 8.230 nan 0.000 0.432 1376 L N -1.934 119.188 121.223 -0.167 0.000 2.131 1376 L HA -0.209 4.151 4.340 0.033 0.000 0.206 1376 L C 2.437 179.072 176.870 -0.391 0.000 1.087 1376 L CA 0.594 55.230 54.840 -0.340 0.000 0.767 1376 L CB -0.513 41.359 42.059 -0.312 0.000 0.917 1376 L HN 0.172 nan 8.230 nan 0.000 0.441 1377 F N 1.866 121.543 119.950 -0.456 0.000 2.127 1377 F HA -0.373 4.174 4.527 0.033 0.000 0.299 1377 F C 1.637 177.335 175.800 -0.170 0.000 1.068 1377 F CA 2.338 60.114 58.000 -0.375 0.000 1.263 1377 F CB -0.255 38.647 39.000 -0.163 0.000 1.016 1377 F HN 0.182 nan 8.300 nan 0.000 0.491 1378 D N -1.383 119.165 120.400 0.248 0.000 2.354 1378 D HA -0.026 4.634 4.640 0.033 0.000 0.209 1378 D C 1.870 178.146 176.300 -0.040 0.000 1.015 1378 D CA 0.271 54.397 54.000 0.210 0.000 0.867 1378 D CB -0.288 40.656 40.800 0.239 0.000 0.933 1378 D HN 0.318 nan 8.370 nan 0.000 0.520 1379 F N -0.053 119.619 119.950 -0.464 0.000 2.192 1379 F HA -0.115 4.433 4.527 0.034 0.000 0.301 1379 F C 0.292 175.775 175.800 -0.528 0.000 1.079 1379 F CA 0.862 58.495 58.000 -0.612 0.000 1.303 1379 F CB 0.093 38.471 39.000 -1.037 0.000 1.024 1379 F HN 0.039 nan 8.300 nan 0.000 0.494 1380 W N 0.696 122.003 121.300 0.012 0.000 1.518 1380 W HA 0.174 4.854 4.660 0.033 0.000 0.426 1380 W C 0.935 177.328 176.519 -0.210 0.000 0.675 1380 W CA -0.933 56.303 57.345 -0.182 0.000 1.936 1380 W CB -1.345 27.993 29.460 -0.204 0.000 1.749 1380 W HN 0.156 nan 8.180 nan 0.000 0.247 1381 Y N -0.359 119.946 120.300 0.010 0.000 2.298 1381 Y HA -0.201 4.369 4.550 0.033 0.000 0.287 1381 Y C 1.903 177.814 175.900 0.019 0.000 1.164 1381 Y CA 1.413 59.507 58.100 -0.009 0.000 1.229 1381 Y CB -1.008 37.413 38.460 -0.065 0.000 0.977 1381 Y HN 0.226 nan 8.280 nan 0.000 0.538 1382 A N 0.825 123.352 122.820 -0.487 0.000 2.167 1382 A HA 0.264 4.604 4.320 0.033 0.000 0.214 1382 A C 0.573 178.058 177.584 -0.166 0.000 1.151 1382 A CA 0.242 52.103 52.037 -0.294 0.000 0.735 1382 A CB -0.519 18.232 19.000 -0.416 0.000 0.802 1382 A HN 0.425 nan 8.150 nan 0.000 0.467 1383 L N 0.517 121.675 121.223 -0.108 0.000 2.362 1383 L HA 0.350 4.710 4.340 0.033 0.000 0.271 1383 L C -0.416 176.435 176.870 -0.032 0.000 1.002 1383 L CA -1.146 53.634 54.840 -0.101 0.000 0.818 1383 L CB 1.896 43.898 42.059 -0.095 0.000 1.298 1383 L HN 0.366 nan 8.230 nan 0.000 0.420 1384 N N 1.672 120.364 118.700 -0.014 0.000 2.434 1384 N HA 0.366 5.126 4.740 0.033 0.000 0.266 1384 N C -2.398 173.157 175.510 0.075 0.000 1.223 1384 N CA -1.786 51.294 53.050 0.050 0.000 0.972 1384 N CB 0.307 38.824 38.487 0.051 0.000 1.207 1384 N HN 0.162 nan 8.380 nan 0.000 0.525 1385 P HA 0.012 nan 4.420 nan 0.000 0.221 1385 P C 0.708 178.100 177.300 0.154 0.000 1.150 1385 P CA 1.628 64.861 63.100 0.222 0.000 0.800 1385 P CB 0.014 31.910 31.700 0.328 0.000 0.787 1386 A N -0.520 122.367 122.820 0.113 0.000 1.930 1386 A HA -0.187 4.153 4.320 0.033 0.000 0.215 1386 A C 2.222 179.866 177.584 0.101 0.000 1.176 1386 A CA 1.218 53.310 52.037 0.090 0.000 0.632 1386 A CB -1.128 17.913 19.000 0.069 0.000 0.819 1386 A HN 0.121 nan 8.150 nan 0.000 0.445 1387 Q N -0.335 119.535 119.800 0.117 0.000 2.061 1387 Q HA -0.147 4.213 4.340 0.033 0.000 0.204 1387 Q C 1.971 178.066 176.000 0.158 0.000 0.984 1387 Q CA 1.778 57.698 55.803 0.196 0.000 0.846 1387 Q CB -0.343 28.495 28.738 0.167 0.000 0.902 1387 Q HN 0.744 nan 8.270 nan 0.000 0.421 1388 I N 0.331 120.959 120.570 0.097 0.000 2.142 1388 I HA -0.325 3.865 4.170 0.033 0.000 0.240 1388 I C 2.687 178.871 176.117 0.111 0.000 1.078 1388 I CA 1.268 62.615 61.300 0.078 0.000 1.343 1388 I CB -0.407 37.623 38.000 0.050 0.000 1.046 1388 I HN 0.306 nan 8.210 nan 0.000 0.405 1389 Q N 1.009 120.886 119.800 0.127 0.000 2.133 1389 Q HA -0.302 4.058 4.340 0.033 0.000 0.208 1389 Q C 2.278 178.314 176.000 0.060 0.000 0.991 1389 Q CA 2.283 58.143 55.803 0.095 0.000 0.867 1389 Q CB -0.158 28.631 28.738 0.085 0.000 0.911 1389 Q HN 0.591 nan 8.270 nan 0.000 0.417 1390 A N 0.364 123.218 122.820 0.056 0.000 1.933 1390 A HA -0.171 4.169 4.320 0.033 0.000 0.218 1390 A C 1.932 179.514 177.584 -0.004 0.000 1.175 1390 A CA 1.363 53.412 52.037 0.020 0.000 0.628 1390 A CB -0.527 18.483 19.000 0.017 0.000 0.814 1390 A HN 0.462 nan 8.150 nan 0.000 0.444 1391 I N -0.967 119.611 120.570 0.014 0.000 2.233 1391 I HA -0.178 4.012 4.170 0.033 0.000 0.243 1391 I C 2.064 178.207 176.117 0.042 0.000 1.093 1391 I CA 0.663 61.961 61.300 -0.004 0.000 1.380 1391 I CB -0.189 37.816 38.000 0.009 0.000 1.067 1391 I HN 0.186 nan 8.210 nan 0.000 0.413 1392 L N 0.106 121.371 121.223 0.069 0.000 2.217 1392 L HA -0.096 4.264 4.340 0.033 0.000 0.211 1392 L C 2.254 179.177 176.870 0.088 0.000 1.107 1392 L CA 1.605 56.503 54.840 0.096 0.000 0.783 1392 L CB -0.888 41.211 42.059 0.066 0.000 0.919 1392 L HN 0.216 nan 8.230 nan 0.000 0.442 1393 L N -0.945 120.307 121.223 0.047 0.000 2.265 1393 L HA -0.210 4.150 4.340 0.033 0.000 0.215 1393 L C 1.952 178.836 176.870 0.024 0.000 1.117 1393 L CA 1.068 55.926 54.840 0.030 0.000 0.782 1393 L CB -0.409 41.656 42.059 0.010 0.000 0.914 1393 L HN 0.224 nan 8.230 nan 0.000 0.441 1394 K N -1.109 119.300 120.400 0.015 0.000 2.404 1394 K HA 0.009 4.349 4.320 0.033 0.000 0.194 1394 K C 0.002 176.592 176.600 -0.018 0.000 1.023 1394 K CA -0.218 56.048 56.287 -0.035 0.000 1.094 1394 K CB 0.235 32.677 32.500 -0.096 0.000 0.841 1394 K HN 0.073 nan 8.250 nan 0.000 0.523 1395 Y N 2.528 122.803 120.300 -0.041 0.000 2.496 1395 Y HA 0.003 4.573 4.550 0.033 0.000 0.334 1395 Y C -0.291 175.603 175.900 -0.010 0.000 1.080 1395 Y CA 0.369 58.457 58.100 -0.020 0.000 1.355 1395 Y CB 0.409 38.877 38.460 0.014 0.000 1.193 1395 Y HN -0.283 nan 8.280 nan 0.000 0.523 1396 K N 8.653 128.897 120.400 -0.260 0.000 2.507 1396 K HA 0.341 4.681 4.320 0.033 0.000 0.252 1396 K C -2.805 173.707 176.600 -0.147 0.000 0.943 1396 K CA -1.950 54.282 56.287 -0.092 0.000 0.808 1396 K CB 1.933 34.370 32.500 -0.104 0.000 1.142 1396 K HN 0.439 nan 8.250 nan 0.000 0.426 1397 P HA 0.077 nan 4.420 nan 0.000 0.272 1397 P C -1.131 176.203 177.300 0.057 0.000 1.223 1397 P CA -0.353 62.843 63.100 0.160 0.000 0.784 1397 P CB 0.671 32.503 31.700 0.220 0.000 0.923 1398 A N 2.906 125.777 122.820 0.084 0.000 2.508 1398 A HA 0.518 4.858 4.320 0.033 0.000 0.336 1398 A C -0.411 177.278 177.584 0.176 0.000 1.360 1398 A CA -0.393 51.690 52.037 0.076 0.000 0.841 1398 A CB -0.263 18.732 19.000 -0.009 0.000 1.136 1398 A HN 0.544 nan 8.150 nan 0.000 0.489 1404 G N -0.047 108.801 108.800 0.080 0.000 2.583 1404 G HA2 0.543 4.523 3.960 0.033 0.000 0.275 1404 G HA3 0.543 4.523 3.960 0.033 0.000 0.275 1404 G C 0.595 175.469 174.900 -0.044 0.000 1.342 1404 G CA 0.206 45.359 45.100 0.089 0.000 1.030 1404 G HN 1.987 nan 8.290 nan 0.000 0.520 1405 V N 0.722 120.582 119.914 -0.089 0.000 2.655 1405 V HA 0.334 4.474 4.120 0.033 0.000 0.300 1405 V C -1.784 174.270 176.094 -0.068 0.000 1.044 1405 V CA -1.577 60.645 62.300 -0.130 0.000 1.095 1405 V CB 0.574 32.304 31.823 -0.156 0.000 0.952 1405 V HN 0.538 nan 8.190 nan 0.000 0.485 1406 P HA 0.118 nan 4.420 nan 0.000 0.262 1406 P C 0.283 177.554 177.300 -0.048 0.000 1.182 1406 P CA 0.432 63.504 63.100 -0.047 0.000 0.761 1406 P CB 0.189 31.861 31.700 -0.045 0.000 0.795 1407 N N 1.739 120.423 118.700 -0.027 0.000 2.205 1407 N HA -0.201 4.559 4.740 0.033 0.000 0.186 1407 N C 1.199 176.700 175.510 -0.016 0.000 1.015 1407 N CA 1.077 54.116 53.050 -0.018 0.000 0.862 1407 N CB -0.119 38.364 38.487 -0.006 0.000 0.986 1407 N HN 0.515 nan 8.380 nan 0.000 0.429 1408 E N 0.435 120.623 120.200 -0.019 0.000 2.118 1408 E HA -0.139 4.231 4.350 0.033 0.000 0.195 1408 E C 1.541 178.132 176.600 -0.015 0.000 0.992 1408 E CA 0.762 57.156 56.400 -0.009 0.000 0.804 1408 E CB -0.036 29.653 29.700 -0.018 0.000 0.741 1408 E HN 0.374 nan 8.360 nan 0.000 0.458 1409 I N 0.161 120.678 120.570 -0.089 0.000 2.333 1409 I HA -0.133 4.057 4.170 0.033 0.000 0.246 1409 I C 2.182 178.222 176.117 -0.129 0.000 1.106 1409 I CA 0.964 62.129 61.300 -0.224 0.000 1.411 1409 I CB -1.003 36.721 38.000 -0.459 0.000 1.082 1409 I HN 0.142 nan 8.210 nan 0.000 0.420 1410 L N 0.389 121.561 121.223 -0.084 0.000 2.046 1410 L HA -0.241 4.119 4.340 0.033 0.000 0.208 1410 L C 2.260 179.130 176.870 -0.000 0.000 1.077 1410 L CA 1.588 56.406 54.840 -0.038 0.000 0.747 1410 L CB -0.702 41.342 42.059 -0.025 0.000 0.896 1410 L HN 0.285 nan 8.230 nan 0.000 0.432 1411 N N -0.917 117.794 118.700 0.018 0.000 2.084 1411 N HA -0.262 4.497 4.740 0.033 0.000 0.190 1411 N C 1.836 177.382 175.510 0.060 0.000 1.030 1411 N CA 1.152 54.224 53.050 0.036 0.000 0.849 1411 N CB -0.219 38.297 38.487 0.048 0.000 1.012 1411 N HN 0.244 nan 8.380 nan 0.000 0.423 1412 Y N 1.121 121.407 120.300 -0.024 0.000 2.114 1412 Y HA -0.185 4.385 4.550 0.033 0.000 0.282 1412 Y C 1.841 177.764 175.900 0.039 0.000 1.165 1412 Y CA 1.547 59.648 58.100 0.000 0.000 1.148 1412 Y CB -0.511 37.948 38.460 -0.002 0.000 0.972 1412 Y HN 0.103 nan 8.280 nan 0.000 0.504 1413 L N -0.455 120.735 121.223 -0.056 0.000 2.046 1413 L HA -0.241 4.118 4.340 0.033 0.000 0.208 1413 L C 2.803 179.638 176.870 -0.058 0.000 1.077 1413 L CA 1.186 55.998 54.840 -0.046 0.000 0.747 1413 L CB -0.998 41.117 42.059 0.093 0.000 0.896 1413 L HN 0.384 nan 8.230 nan 0.000 0.432 1414 A N 0.459 123.259 122.820 -0.033 0.000 1.883 1414 A HA -0.291 4.049 4.320 0.033 0.000 0.217 1414 A C 1.968 179.523 177.584 -0.048 0.000 1.186 1414 A CA 2.482 54.504 52.037 -0.024 0.000 0.624 1414 A CB -0.931 18.064 19.000 -0.008 0.000 0.822 1414 A HN 0.517 nan 8.150 nan 0.000 0.444 1415 N N -0.447 118.209 118.700 -0.074 0.000 2.104 1415 N HA -0.122 4.638 4.740 0.033 0.000 0.190 1415 N C 1.535 176.966 175.510 -0.132 0.000 1.024 1415 N CA 1.550 54.547 53.050 -0.088 0.000 0.853 1415 N CB -0.278 38.169 38.487 -0.068 0.000 1.008 1415 N HN 0.255 nan 8.380 nan 0.000 0.424 1416 V N 1.205 120.971 119.914 -0.246 0.000 2.295 1416 V HA -0.206 3.934 4.120 0.033 0.000 0.246 1416 V C 2.013 178.057 176.094 -0.082 0.000 1.049 1416 V CA 1.472 63.636 62.300 -0.226 0.000 1.024 1416 V CB -0.479 31.128 31.823 -0.361 0.000 0.648 1416 V HN 0.318 nan 8.190 nan 0.000 0.447 1417 I N 0.006 120.549 120.570 -0.045 0.000 2.335 1417 I HA -0.282 3.907 4.170 0.033 0.000 0.251 1417 I C 2.567 178.680 176.117 -0.006 0.000 1.129 1417 I CA 1.833 63.134 61.300 0.002 0.000 1.402 1417 I CB -0.426 37.586 38.000 0.021 0.000 1.069 1417 I HN 0.326 nan 8.210 nan 0.000 0.424 1418 K N 1.349 121.737 120.400 -0.020 0.000 2.025 1418 K HA -0.184 4.156 4.320 0.033 0.000 0.207 1418 K C 2.301 178.892 176.600 -0.014 0.000 1.049 1418 K CA 1.226 57.504 56.287 -0.015 0.000 0.933 1418 K CB -0.060 32.431 32.500 -0.016 0.000 0.714 1418 K HN 0.185 nan 8.250 nan 0.000 0.438 1419 R N 0.674 121.159 120.500 -0.025 0.000 2.115 1419 R HA -0.167 4.193 4.340 0.033 0.000 0.239 1419 R C 2.455 178.750 176.300 -0.009 0.000 1.133 1419 R CA 1.807 57.895 56.100 -0.020 0.000 0.935 1419 R CB -0.354 29.926 30.300 -0.033 0.000 0.853 1419 R HN 0.312 nan 8.270 nan 0.000 0.433 1420 E N 0.814 121.011 120.200 -0.005 0.000 2.049 1420 E HA -0.242 4.128 4.350 0.033 0.000 0.198 1420 E C 1.732 178.338 176.600 0.009 0.000 1.007 1420 E CA 1.106 57.511 56.400 0.009 0.000 0.809 1420 E CB -0.510 29.204 29.700 0.022 0.000 0.749 1420 E HN 0.248 nan 8.360 nan 0.000 0.450 1421 N N 0.895 119.600 118.700 0.007 0.000 2.096 1421 N HA -0.207 4.553 4.740 0.033 0.000 0.195 1421 N C 2.133 177.645 175.510 0.005 0.000 1.017 1421 N CA 1.377 54.431 53.050 0.007 0.000 0.870 1421 N CB -0.393 38.097 38.487 0.005 0.000 1.024 1421 N HN 0.199 nan 8.380 nan 0.000 0.434 1422 L N -0.252 120.972 121.223 0.002 0.000 2.275 1422 L HA -0.049 4.311 4.340 0.033 0.000 0.215 1422 L C 2.256 179.128 176.870 0.003 0.000 1.119 1422 L CA 0.596 55.437 54.840 0.002 0.000 0.790 1422 L CB -0.146 41.913 42.059 -0.000 0.000 0.919 1422 L HN 0.102 nan 8.230 nan 0.000 0.443 1423 S N -0.924 114.779 115.700 0.004 0.000 2.444 1423 S HA 0.219 4.709 4.470 0.033 0.000 0.223 1423 S C 0.582 175.187 174.600 0.008 0.000 1.054 1423 S CA 0.002 58.206 58.200 0.006 0.000 0.947 1423 S CB 0.245 63.449 63.200 0.006 0.000 0.850 1423 S HN -0.014 nan 8.310 nan 0.000 0.527 1424 L N 2.551 123.780 121.223 0.010 0.000 2.325 1424 L HA 0.390 4.750 4.340 0.033 0.000 0.279 1424 L C -1.575 175.301 176.870 0.010 0.000 1.054 1424 L CA -1.473 53.374 54.840 0.011 0.000 0.804 1424 L CB 0.525 42.593 42.059 0.015 0.000 1.200 1424 L HN 0.035 nan 8.230 nan 0.000 0.436 1425 P HA 0.093 nan 4.420 nan 0.000 0.240 1425 P C 0.442 177.747 177.300 0.008 0.000 1.190 1425 P CA 0.239 63.344 63.100 0.008 0.000 0.781 1425 P CB 0.454 32.159 31.700 0.007 0.000 0.931 1426 G N 0.396 109.202 108.800 0.010 0.000 2.477 1426 G HA2 0.283 4.262 3.960 0.033 0.000 0.304 1426 G HA3 0.283 4.262 3.960 0.033 0.000 0.304 1426 G C -0.758 174.148 174.900 0.010 0.000 1.175 1426 G CA -0.571 44.535 45.100 0.009 0.000 0.907 1426 G HN 0.039 nan 8.290 nan 0.000 0.509 1427 K N 0.738 121.143 120.400 0.009 0.000 2.401 1427 K HA 0.154 4.494 4.320 0.033 0.000 0.278 1427 K C 0.305 176.914 176.600 0.014 0.000 1.018 1427 K CA -0.327 55.966 56.287 0.010 0.000 0.981 1427 K CB 0.464 32.968 32.500 0.007 0.000 0.933 1427 K HN 0.465 nan 8.250 nan 0.000 0.477 1428 M N 5.622 125.233 119.600 0.019 0.000 2.383 1428 M HA 0.068 4.568 4.480 0.033 0.000 0.337 1428 M C -0.628 175.687 176.300 0.025 0.000 1.422 1428 M CA -0.115 55.200 55.300 0.025 0.000 1.333 1428 M CB 0.311 32.931 32.600 0.034 0.000 1.488 1428 M HN 0.490 nan 8.290 nan 0.000 0.454 1429 E N 4.626 124.838 120.200 0.019 0.000 2.338 1429 E HA 0.092 4.462 4.350 0.033 0.000 0.272 1429 E C 0.660 177.283 176.600 0.039 0.000 1.029 1429 E CA 0.057 56.469 56.400 0.021 0.000 0.872 1429 E CB 1.565 31.271 29.700 0.009 0.000 1.015 1429 E HN 0.815 nan 8.360 nan 0.000 0.417 1430 I N 1.256 121.861 120.570 0.058 0.000 2.429 1430 I HA -0.086 4.104 4.170 0.033 0.000 0.247 1430 I C 1.120 177.348 176.117 0.186 0.000 1.099 1430 I CA 0.557 61.925 61.300 0.112 0.000 1.422 1430 I CB 0.037 38.091 38.000 0.091 0.000 1.112 1430 I HN 0.304 nan 8.210 nan 0.000 0.430 1431 M N 1.755 121.423 119.600 0.113 0.000 2.245 1431 M HA 0.118 4.618 4.480 0.033 0.000 0.344 1431 M C -0.391 175.946 176.300 0.062 0.000 1.170 1431 M CA 0.119 55.484 55.300 0.109 0.000 1.135 1431 M CB 0.370 32.990 32.600 0.034 0.000 1.574 1431 M HN -0.068 nan 8.290 nan 0.000 0.452 1432 L N 2.081 123.340 121.223 0.059 0.000 2.387 1432 L HA 0.569 4.929 4.340 0.033 0.000 0.266 1432 L C 0.455 177.290 176.870 -0.058 0.000 1.059 1432 L CA 0.043 54.862 54.840 -0.035 0.000 0.801 1432 L CB 1.643 43.659 42.059 -0.071 0.000 1.223 1432 L HN 0.917 nan 8.230 nan 0.000 0.456 1433 S N 0.054 115.700 115.700 -0.090 0.000 2.569 1433 S HA 0.885 5.375 4.470 0.033 0.000 0.280 1433 S C -0.720 173.782 174.600 -0.163 0.000 1.111 1433 S CA -0.706 57.427 58.200 -0.112 0.000 0.887 1433 S CB 1.561 64.713 63.200 -0.080 0.000 1.095 1433 S HN 0.818 nan 8.310 nan 0.000 0.476 1434 A N 2.381 125.078 122.820 -0.205 0.000 2.450 1434 A HA 0.599 4.938 4.320 0.033 0.000 0.255 1434 A C -0.134 177.109 177.584 -0.567 0.000 1.096 1434 A CA -0.114 51.711 52.037 -0.354 0.000 0.778 1434 A CB -0.034 18.840 19.000 -0.210 0.000 1.031 1434 A HN 0.707 nan 8.150 nan 0.000 0.494 1435 Q N 1.181 120.558 119.800 -0.705 0.000 2.315 1435 Q HA 0.591 4.951 4.340 0.033 0.000 0.273 1435 Q C -1.681 173.990 176.000 -0.549 0.000 1.053 1435 Q CA -0.152 55.330 55.803 -0.536 0.000 0.817 1435 Q CB 2.076 30.696 28.738 -0.196 0.000 1.326 1435 Q HN 0.615 nan 8.270 nan 0.000 0.423 1436 F N -0.011 120.037 119.950 0.163 0.000 2.577 1436 F HA 0.390 4.937 4.527 0.032 0.000 0.318 1436 F C 0.494 176.398 175.800 0.173 0.000 1.065 1436 F CA -1.056 57.064 58.000 0.200 0.000 0.929 1436 F CB 1.011 40.206 39.000 0.325 0.000 1.237 1436 F HN 0.235 nan 8.300 nan 0.000 0.468 1437 D N 0.174 120.783 120.400 0.348 0.000 2.382 1437 D HA 0.063 4.722 4.640 0.033 0.000 0.240 1437 D C 0.220 176.669 176.300 0.249 0.000 1.146 1437 D CA 0.062 54.213 54.000 0.251 0.000 0.897 1437 D CB 0.918 41.857 40.800 0.231 0.000 1.197 1437 D HN 0.447 nan 8.370 nan 0.000 0.432 1438 S N -0.018 115.806 115.700 0.207 0.000 2.559 1438 S HA 0.132 4.622 4.470 0.033 0.000 0.282 1438 S C 0.704 175.425 174.600 0.202 0.000 1.336 1438 S CA -0.098 58.218 58.200 0.193 0.000 1.037 1438 S CB 0.467 63.759 63.200 0.153 0.000 0.853 1438 S HN 0.450 nan 8.310 nan 0.000 0.523 1439 A N 3.927 126.848 122.820 0.167 0.000 2.411 1439 A HA 0.345 4.685 4.320 0.033 0.000 0.251 1439 A C 0.556 178.212 177.584 0.119 0.000 1.317 1439 A CA -0.072 52.044 52.037 0.131 0.000 0.904 1439 A CB -0.259 18.760 19.000 0.032 0.000 0.993 1439 A HN 0.681 nan 8.150 nan 0.000 0.504 1440 K N 0.932 121.400 120.400 0.114 0.000 2.740 1440 K HA 0.246 4.586 4.320 0.033 0.000 0.246 1440 K C -0.869 175.740 176.600 0.016 0.000 1.021 1440 K CA -0.353 55.956 56.287 0.036 0.000 1.021 1440 K CB 0.510 33.011 32.500 0.002 0.000 1.233 1440 K HN 0.498 nan 8.250 nan 0.000 0.497 1441 N N 1.283 119.949 118.700 -0.056 0.000 2.290 1441 N HA 0.144 4.904 4.740 0.033 0.000 0.269 1441 N C -0.602 174.809 175.510 -0.166 0.000 1.295 1441 N CA -0.235 52.725 53.050 -0.150 0.000 0.932 1441 N CB 0.207 38.552 38.487 -0.236 0.000 1.128 1441 N HN 0.486 nan 8.380 nan 0.000 0.532 1442 H N -1.556 117.505 119.070 -0.015 0.000 3.004 1442 H HA -0.102 4.475 4.556 0.034 0.000 0.311 1442 H C -1.142 174.138 175.328 -0.081 0.000 1.311 1442 H CA 0.311 56.339 56.048 -0.033 0.000 1.182 1442 H CB -1.923 27.820 29.762 -0.032 0.000 1.400 1442 H HN 0.323 nan 8.280 nan 0.000 0.432 1443 L N -0.505 120.723 121.223 0.010 0.000 2.403 1443 L HA 0.710 5.069 4.340 0.033 0.000 0.253 1443 L C 0.268 177.132 176.870 -0.011 0.000 1.045 1443 L CA -0.918 53.891 54.840 -0.053 0.000 0.845 1443 L CB 3.080 45.056 42.059 -0.138 0.000 1.447 1443 L HN 0.129 nan 8.230 nan 0.000 0.411 1444 R N 0.126 120.623 120.500 -0.006 0.000 2.734 1444 R HA 0.567 4.927 4.340 0.033 0.000 0.271 1444 R C -1.946 174.392 176.300 0.062 0.000 1.021 1444 R CA -0.522 55.576 56.100 -0.002 0.000 0.893 1444 R CB 2.470 32.719 30.300 -0.083 0.000 1.244 1444 R HN 0.543 nan 8.270 nan 0.000 0.464 1459 L N 1.084 122.280 121.223 -0.044 0.000 2.329 1459 L HA 0.699 5.058 4.340 0.033 0.000 0.279 1459 L C 1.360 178.221 176.870 -0.015 0.000 1.014 1459 L CA -0.629 54.188 54.840 -0.038 0.000 0.814 1459 L CB 1.937 43.949 42.059 -0.080 0.000 1.257 1459 L HN 0.129 nan 8.230 nan 0.000 0.424 1460 A N 1.645 124.469 122.820 0.006 0.000 1.865 1460 A HA -0.064 4.276 4.320 0.033 0.000 0.216 1460 A C 2.131 179.719 177.584 0.008 0.000 1.315 1460 A CA 1.415 53.458 52.037 0.009 0.000 0.605 1460 A CB -0.868 18.144 19.000 0.020 0.000 0.984 1460 A HN 0.811 nan 8.150 nan 0.000 0.470 1461 T N -1.754 112.815 114.554 0.025 0.000 2.759 1461 T HA -0.157 4.213 4.350 0.033 0.000 0.269 1461 T C 1.706 176.402 174.700 -0.006 0.000 1.042 1461 T CA 1.869 63.987 62.100 0.030 0.000 1.140 1461 T CB -0.997 67.919 68.868 0.081 0.000 0.864 1461 T HN 0.051 nan 8.240 nan 0.000 0.455 1462 V N 1.685 121.593 119.914 -0.010 0.000 2.287 1462 V HA -0.187 3.953 4.120 0.033 0.000 0.248 1462 V C 3.127 179.183 176.094 -0.063 0.000 1.053 1462 V CA 2.206 64.470 62.300 -0.059 0.000 1.027 1462 V CB -1.073 30.718 31.823 -0.054 0.000 0.646 1462 V HN 0.550 nan 8.190 nan 0.000 0.447 1463 S N -0.759 114.918 115.700 -0.038 0.000 2.368 1463 S HA -0.220 4.270 4.470 0.033 0.000 0.225 1463 S C 1.999 176.581 174.600 -0.030 0.000 1.030 1463 S CA 1.555 59.738 58.200 -0.029 0.000 0.999 1463 S CB -0.276 62.914 63.200 -0.016 0.000 0.844 1463 S HN 0.572 nan 8.310 nan 0.000 0.459 1464 K N 0.744 121.129 120.400 -0.026 0.000 2.032 1464 K HA -0.065 4.275 4.320 0.033 0.000 0.209 1464 K C 1.996 178.570 176.600 -0.043 0.000 1.048 1464 K CA 1.371 57.643 56.287 -0.025 0.000 0.927 1464 K CB -0.402 32.089 32.500 -0.014 0.000 0.712 1464 K HN 0.336 nan 8.250 nan 0.000 0.441 1465 I N 1.161 121.689 120.570 -0.069 0.000 2.163 1465 I HA -0.307 3.883 4.170 0.033 0.000 0.243 1465 I C 2.237 178.302 176.117 -0.087 0.000 1.085 1465 I CA 1.336 62.573 61.300 -0.105 0.000 1.347 1465 I CB -0.314 37.576 38.000 -0.182 0.000 1.044 1465 I HN 0.152 nan 8.210 nan 0.000 0.408 1466 I N 0.435 120.960 120.570 -0.075 0.000 2.286 1466 I HA -0.307 3.882 4.170 0.033 0.000 0.248 1466 I C 2.620 178.718 176.117 -0.032 0.000 1.115 1466 I CA 1.336 62.605 61.300 -0.052 0.000 1.392 1466 I CB -0.545 37.433 38.000 -0.036 0.000 1.065 1466 I HN 0.246 nan 8.210 nan 0.000 0.418 1467 K N 1.040 121.423 120.400 -0.029 0.000 2.026 1467 K HA -0.091 4.249 4.320 0.033 0.000 0.208 1467 K C 0.632 177.218 176.600 -0.023 0.000 1.048 1467 K CA 1.031 57.306 56.287 -0.020 0.000 0.929 1467 K CB 0.226 32.716 32.500 -0.017 0.000 0.713 1467 K HN 0.134 nan 8.250 nan 0.000 0.439 1468 L N 0.000 121.204 121.223 -0.032 0.000 2.949 1468 L HA 0.000 4.360 4.340 0.033 0.000 0.249 1468 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 1468 L CB 0.000 42.041 42.059 -0.029 0.000 0.961 1468 L HN 0.000 nan 8.230 nan 0.000 0.502