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 3lct_1_A DATA FIRST_RESID 1093 DATA SEQUENCE NPNYCFAGKT SSISDLKEVP RKNITLIRGL GHGAFGEVYE GQVSGMPNDP DATA SEQUENCE SPLQVAVKTL PEVCSEQDEL DFLMEALIIS KFNHQNIVRC IGVSLQSLPR DATA SEQUENCE FILLELMAGG DLKSFLRETR PRPSQPSSLA MLDLLHVARD IACGCQYLEE DATA SEQUENCE NHFIHRDIAA RNCLLTCPGP GRVAKIGDFG MARDIYRAGY YRKGGCAMLP DATA SEQUENCE VKWMPPEAFM EGIFTSKTDT WSFGVLLWEI FSLGYMPYPS KSNQEVLEFV DATA SEQUENCE TSGGRMDPPK NCPGPVYRIM TQCWQHQPED RPNFAIILER IEYCTQDPDV DATA SEQUENCE INTALPIE 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 1093 N HA 0.000 nan 4.740 nan 0.000 0.220 1093 N C 0.000 175.545 175.510 0.059 0.000 1.280 1093 N CA 0.000 53.078 53.050 0.046 0.000 0.885 1093 N CB 0.000 38.510 38.487 0.039 0.000 1.341 1094 P HA 0.239 nan 4.420 nan 0.000 0.268 1094 P C -0.367 177.006 177.300 0.121 0.000 1.205 1094 P CA 0.021 63.180 63.100 0.099 0.000 0.771 1094 P CB 0.874 32.645 31.700 0.117 0.000 0.858 1095 N N 1.133 119.917 118.700 0.140 0.000 2.493 1095 N HA 0.230 4.980 4.740 0.017 0.000 0.275 1095 N C -0.701 174.973 175.510 0.273 0.000 1.186 1095 N CA -0.069 53.075 53.050 0.157 0.000 0.978 1095 N CB 0.559 39.114 38.487 0.113 0.000 1.184 1095 N HN 0.504 nan 8.380 nan 0.000 0.487 1096 Y N -0.194 120.149 120.300 0.072 0.000 2.446 1096 Y HA 0.456 5.016 4.550 0.018 0.000 0.345 1096 Y C -1.003 174.933 175.900 0.059 0.000 0.984 1096 Y CA -1.153 56.966 58.100 0.031 0.000 1.058 1096 Y CB 1.259 39.629 38.460 -0.150 0.000 1.220 1096 Y HN 0.518 nan 8.280 nan 0.000 0.455 1097 C N 8.274 127.189 119.300 -0.642 0.000 2.396 1097 C HA 0.761 5.232 4.460 0.017 0.000 0.321 1097 C C -1.623 172.991 174.990 -0.627 0.000 1.233 1097 C CA -0.795 57.932 59.018 -0.485 0.000 1.440 1097 C CB -0.945 26.717 27.740 -0.130 0.000 2.110 1097 C HN 0.785 nan 8.230 nan 0.000 0.473 1098 F N 4.780 124.387 119.950 -0.572 0.000 2.596 1098 F HA 0.603 5.140 4.527 0.018 0.000 0.311 1098 F C 0.471 176.199 175.800 -0.120 0.000 1.116 1098 F CA 0.461 58.272 58.000 -0.315 0.000 0.957 1098 F CB 1.635 40.453 39.000 -0.303 0.000 1.250 1098 F HN 1.128 nan 8.300 nan 0.000 0.444 1099 A N 3.551 125.848 122.820 -0.871 0.000 2.596 1099 A HA -0.105 4.225 4.320 0.017 0.000 0.300 1099 A C 0.768 178.175 177.584 -0.296 0.000 1.495 1099 A CA 1.193 52.811 52.037 -0.698 0.000 0.769 1099 A CB -2.083 16.258 19.000 -1.098 0.000 1.047 1099 A HN 1.856 nan 8.150 nan 0.000 0.436 1100 G N 0.112 108.804 108.800 -0.180 0.000 4.433 1100 G HA2 0.427 4.397 3.960 0.017 0.000 0.304 1100 G HA3 0.427 4.397 3.960 0.017 0.000 0.304 1100 G C 0.292 175.129 174.900 -0.105 0.000 1.254 1100 G CA 0.149 45.153 45.100 -0.159 0.000 0.999 1100 G HN 0.751 nan 8.290 nan 0.000 0.576 1101 K N -0.357 119.989 120.400 -0.089 0.000 2.149 1101 K HA 0.433 4.763 4.320 0.017 0.000 0.245 1101 K C -0.529 176.041 176.600 -0.049 0.000 1.024 1101 K CA -0.389 55.869 56.287 -0.048 0.000 0.899 1101 K CB 0.710 33.197 32.500 -0.022 0.000 1.038 1101 K HN -0.019 nan 8.250 nan 0.000 0.496 1102 T N -0.383 114.157 114.554 -0.024 0.000 2.918 1102 T HA 0.430 4.791 4.350 0.017 0.000 0.286 1102 T C -0.899 173.809 174.700 0.014 0.000 1.026 1102 T CA -0.404 61.686 62.100 -0.016 0.000 1.031 1102 T CB 1.076 69.943 68.868 -0.002 0.000 1.046 1102 T HN 0.590 nan 8.240 nan 0.000 0.479 1103 S N 0.741 116.464 115.700 0.039 0.000 2.625 1103 S HA 0.838 5.318 4.470 0.017 0.000 0.271 1103 S C -1.295 173.351 174.600 0.077 0.000 1.161 1103 S CA -0.801 57.434 58.200 0.059 0.000 0.820 1103 S CB 1.861 65.108 63.200 0.079 0.000 1.137 1103 S HN 1.043 nan 8.310 nan 0.000 0.470 1104 S N -0.165 115.569 115.700 0.058 0.000 2.688 1104 S HA 0.498 4.978 4.470 0.017 0.000 0.275 1104 S C 0.914 175.533 174.600 0.032 0.000 1.175 1104 S CA -0.526 57.706 58.200 0.055 0.000 0.818 1104 S CB 0.202 63.431 63.200 0.049 0.000 1.157 1104 S HN 0.966 nan 8.310 nan 0.000 0.482 1105 I N 1.181 121.766 120.570 0.026 0.000 2.236 1105 I HA -0.230 3.950 4.170 0.017 0.000 0.249 1105 I C 1.864 177.989 176.117 0.012 0.000 1.102 1105 I CA 2.464 63.772 61.300 0.014 0.000 1.365 1105 I CB -0.590 37.423 38.000 0.022 0.000 1.051 1105 I HN 0.675 nan 8.210 nan 0.000 0.420 1106 S N 0.857 116.567 115.700 0.017 0.000 2.420 1106 S HA -0.205 4.275 4.470 0.017 0.000 0.237 1106 S C 1.360 175.967 174.600 0.012 0.000 1.023 1106 S CA 1.688 59.897 58.200 0.015 0.000 0.991 1106 S CB -0.587 62.623 63.200 0.017 0.000 0.792 1106 S HN 0.628 nan 8.310 nan 0.000 0.488 1107 D N 0.895 121.302 120.400 0.012 0.000 2.340 1107 D HA 0.208 4.859 4.640 0.017 0.000 0.220 1107 D C 0.231 176.531 176.300 -0.000 0.000 1.039 1107 D CA 0.131 54.137 54.000 0.009 0.000 0.866 1107 D CB 0.014 40.824 40.800 0.016 0.000 0.913 1107 D HN 0.375 nan 8.370 nan 0.000 0.523 1108 L N 0.970 122.189 121.223 -0.005 0.000 2.395 1108 L HA 0.151 4.501 4.340 0.017 0.000 0.269 1108 L C 0.990 177.857 176.870 -0.005 0.000 1.133 1108 L CA -0.431 54.400 54.840 -0.016 0.000 0.812 1108 L CB 0.924 42.969 42.059 -0.023 0.000 1.125 1108 L HN -0.396 nan 8.230 nan 0.000 0.452 1109 K N 2.958 123.354 120.400 -0.006 0.000 2.315 1109 K HA 0.066 4.397 4.320 0.017 0.000 0.291 1109 K C -0.449 176.157 176.600 0.010 0.000 1.074 1109 K CA -0.176 56.112 56.287 0.002 0.000 0.936 1109 K CB 0.569 33.070 32.500 0.001 0.000 1.049 1109 K HN 0.395 nan 8.250 nan 0.000 0.471 1110 E N 3.216 123.423 120.200 0.012 0.000 2.129 1110 E HA 0.048 4.409 4.350 0.017 0.000 0.283 1110 E C -0.652 175.962 176.600 0.022 0.000 1.080 1110 E CA -0.495 55.916 56.400 0.019 0.000 0.867 1110 E CB 0.535 30.243 29.700 0.013 0.000 1.056 1110 E HN 0.274 nan 8.360 nan 0.000 0.404 1111 V N 4.004 123.939 119.914 0.035 0.000 2.465 1111 V HA 0.589 4.719 4.120 0.017 0.000 0.279 1111 V C -2.361 173.755 176.094 0.037 0.000 1.045 1111 V CA -2.381 59.941 62.300 0.037 0.000 0.938 1111 V CB 1.004 32.853 31.823 0.043 0.000 0.986 1111 V HN 0.639 nan 8.190 nan 0.000 0.467 1112 P HA 0.096 nan 4.420 nan 0.000 0.260 1112 P C 0.446 177.764 177.300 0.030 0.000 1.172 1112 P CA 0.195 63.306 63.100 0.019 0.000 0.760 1112 P CB 0.432 32.141 31.700 0.015 0.000 0.773 1113 R N 5.807 126.317 120.500 0.016 0.000 2.119 1113 R HA -0.214 4.136 4.340 0.017 0.000 0.246 1113 R C 1.867 178.191 176.300 0.039 0.000 1.146 1113 R CA 2.119 58.232 56.100 0.022 0.000 0.962 1113 R CB -0.701 29.579 30.300 -0.033 0.000 0.863 1113 R HN 0.517 nan 8.270 nan 0.000 0.442 1114 K N -0.954 119.458 120.400 0.020 0.000 2.442 1114 K HA -0.060 4.271 4.320 0.017 0.000 0.198 1114 K C 1.044 177.659 176.600 0.025 0.000 1.042 1114 K CA 1.732 58.030 56.287 0.019 0.000 0.958 1114 K CB -0.220 32.285 32.500 0.008 0.000 0.766 1114 K HN 0.317 nan 8.250 nan 0.000 0.474 1115 N N 0.463 119.182 118.700 0.032 0.000 2.422 1115 N HA 0.119 4.869 4.740 0.017 0.000 0.181 1115 N C -0.191 175.340 175.510 0.036 0.000 1.080 1115 N CA -0.005 53.063 53.050 0.029 0.000 0.893 1115 N CB 0.215 38.718 38.487 0.027 0.000 0.973 1115 N HN 0.159 nan 8.380 nan 0.000 0.456 1116 I N 1.066 121.671 120.570 0.058 0.000 2.336 1116 I HA 0.179 4.359 4.170 0.017 0.000 0.292 1116 I C -0.440 175.701 176.117 0.039 0.000 0.991 1116 I CA -0.264 61.073 61.300 0.061 0.000 1.227 1116 I CB 1.779 39.862 38.000 0.139 0.000 1.366 1116 I HN -0.187 nan 8.210 nan 0.000 0.466 1117 T N 6.898 121.452 114.554 0.000 0.000 2.824 1117 T HA 0.531 4.891 4.350 0.017 0.000 0.282 1117 T C -0.233 174.432 174.700 -0.058 0.000 0.993 1117 T CA -0.585 61.504 62.100 -0.018 0.000 0.967 1117 T CB 1.417 70.280 68.868 -0.008 0.000 0.960 1117 T HN 0.277 nan 8.240 nan 0.000 0.441 1118 L N 3.901 125.064 121.223 -0.100 0.000 2.276 1118 L HA 0.458 4.808 4.340 0.017 0.000 0.286 1118 L C 0.815 177.661 176.870 -0.039 0.000 1.061 1118 L CA -0.493 54.260 54.840 -0.144 0.000 0.807 1118 L CB 0.936 42.768 42.059 -0.378 0.000 1.177 1118 L HN 0.692 nan 8.230 nan 0.000 0.429 1119 I N 2.387 122.973 120.570 0.027 0.000 2.512 1119 I HA 0.060 4.240 4.170 0.017 0.000 0.247 1119 I C 0.683 176.859 176.117 0.098 0.000 1.094 1119 I CA 0.478 61.806 61.300 0.048 0.000 1.427 1119 I CB 0.259 38.279 38.000 0.034 0.000 1.149 1119 I HN 0.651 nan 8.210 nan 0.000 0.438 1120 R N 0.033 120.633 120.500 0.166 0.000 2.629 1120 R HA 0.540 4.890 4.340 0.017 0.000 0.266 1120 R C -0.546 175.862 176.300 0.179 0.000 1.051 1120 R CA -0.850 55.344 56.100 0.156 0.000 0.895 1120 R CB 0.608 30.938 30.300 0.051 0.000 1.246 1120 R HN -0.032 nan 8.270 nan 0.000 0.459 1121 G N 1.837 110.654 108.800 0.028 0.000 2.365 1121 G HA2 0.304 4.274 3.960 0.017 0.000 0.249 1121 G HA3 0.304 4.274 3.960 0.017 0.000 0.249 1121 G C 0.102 174.796 174.900 -0.343 0.000 1.288 1121 G CA -0.777 44.092 45.100 -0.385 0.000 0.887 1121 G HN 0.502 nan 8.290 nan 0.000 0.524 1122 L N 3.126 124.151 121.223 -0.331 0.000 2.978 1122 L HA 0.321 4.672 4.340 0.017 0.000 0.239 1122 L C 1.578 178.331 176.870 -0.196 0.000 1.293 1122 L CA 0.520 55.245 54.840 -0.192 0.000 1.085 1122 L CB -0.386 41.617 42.059 -0.094 0.000 1.432 1122 L HN 1.024 nan 8.230 nan 0.000 0.512 1123 G N -0.692 107.915 108.800 -0.321 0.000 3.626 1123 G HA2 -0.199 3.771 3.960 0.017 0.000 0.241 1123 G HA3 -0.199 3.771 3.960 0.017 0.000 0.241 1123 G C 0.176 174.894 174.900 -0.303 0.000 1.824 1123 G CA -0.029 44.932 45.100 -0.231 0.000 1.511 1123 G HN 0.493 nan 8.290 nan 0.000 0.600 1124 H N -1.345 117.649 119.070 -0.126 0.000 2.776 1124 H HA 0.244 4.810 4.556 0.016 0.000 0.199 1124 H C 0.736 176.036 175.328 -0.046 0.000 1.438 1124 H CA 0.760 56.737 56.048 -0.118 0.000 1.072 1124 H CB -1.075 28.612 29.762 -0.124 0.000 1.421 1124 H HN 2.306 nan 8.280 nan 0.000 0.406 1125 G N -1.128 107.759 108.800 0.143 0.000 2.333 1125 G HA2 0.506 4.477 3.960 0.017 0.000 0.288 1125 G HA3 0.506 4.477 3.960 0.017 0.000 0.288 1125 G C -0.065 174.888 174.900 0.090 0.000 1.286 1125 G CA 0.132 45.289 45.100 0.095 0.000 0.865 1125 G HN 1.004 nan 8.290 nan 0.000 0.506 1126 A N -1.177 121.707 122.820 0.107 0.000 1.997 1126 A HA 0.608 4.938 4.320 0.017 0.000 0.212 1126 A C 0.604 178.296 177.584 0.179 0.000 1.178 1126 A CA 1.052 53.161 52.037 0.120 0.000 0.698 1126 A CB 0.009 19.079 19.000 0.116 0.000 0.842 1126 A HN 1.181 nan 8.150 nan 0.000 0.458 1127 F N 0.521 120.485 119.950 0.024 0.000 2.451 1127 F HA 0.519 5.055 4.527 0.016 0.000 0.367 1127 F C 0.366 176.181 175.800 0.025 0.000 1.100 1127 F CA 0.513 58.524 58.000 0.018 0.000 1.171 1127 F CB 0.648 39.663 39.000 0.024 0.000 1.405 1127 F HN 0.540 nan 8.300 nan 0.000 0.482 1128 G N 3.609 112.237 108.800 -0.287 0.000 2.570 1128 G HA2 -0.022 3.948 3.960 0.017 0.000 0.686 1128 G HA3 -0.022 3.948 3.960 0.017 0.000 0.686 1128 G C -1.461 173.366 174.900 -0.122 0.000 1.257 1128 G CA -1.122 43.841 45.100 -0.229 0.000 0.846 1128 G HN 0.511 nan 8.290 nan 0.000 0.627 1129 E N -1.347 118.782 120.200 -0.119 0.000 2.263 1129 E HA 0.685 5.045 4.350 0.017 0.000 0.264 1129 E C -0.726 175.863 176.600 -0.019 0.000 0.923 1129 E CA -1.044 55.227 56.400 -0.215 0.000 0.802 1129 E CB 2.864 32.300 29.700 -0.441 0.000 1.228 1129 E HN 0.432 nan 8.360 nan 0.000 0.417 1130 V N 2.441 122.342 119.914 -0.020 0.000 2.531 1130 V HA 0.342 4.472 4.120 0.017 0.000 0.301 1130 V C -1.446 174.554 176.094 -0.157 0.000 1.034 1130 V CA -0.709 61.594 62.300 0.005 0.000 0.865 1130 V CB 0.734 32.572 31.823 0.025 0.000 0.995 1130 V HN 0.548 nan 8.190 nan 0.000 0.424 1131 Y N 1.662 121.966 120.300 0.008 0.000 2.509 1131 Y HA 0.479 5.041 4.550 0.019 0.000 0.341 1131 Y C 0.397 176.271 175.900 -0.043 0.000 1.038 1131 Y CA -0.926 57.165 58.100 -0.015 0.000 1.089 1131 Y CB 1.512 39.931 38.460 -0.069 0.000 1.241 1131 Y HN 0.661 nan 8.280 nan 0.000 0.468 1132 E N 1.246 121.520 120.200 0.124 0.000 2.316 1132 E HA 0.536 4.896 4.350 0.017 0.000 0.275 1132 E C -0.332 176.304 176.600 0.060 0.000 1.029 1132 E CA -0.129 56.309 56.400 0.063 0.000 0.871 1132 E CB 0.573 30.294 29.700 0.035 0.000 1.022 1132 E HN 0.878 nan 8.360 nan 0.000 0.418 1133 G N 2.992 111.799 108.800 0.013 0.000 2.921 1133 G HA2 0.328 4.299 3.960 0.017 0.000 0.291 1133 G HA3 0.328 4.299 3.960 0.017 0.000 0.291 1133 G C -1.350 173.542 174.900 -0.014 0.000 1.370 1133 G CA -0.561 44.529 45.100 -0.017 0.000 0.847 1133 G HN 0.529 nan 8.290 nan 0.000 0.532 1134 Q N -0.633 119.156 119.800 -0.017 0.000 2.347 1134 Q HA 0.499 4.850 4.340 0.017 0.000 0.271 1134 Q C -1.310 174.689 176.000 -0.003 0.000 1.064 1134 Q CA -0.845 54.954 55.803 -0.007 0.000 0.800 1134 Q CB 3.084 31.820 28.738 -0.003 0.000 1.304 1134 Q HN 0.555 nan 8.270 nan 0.000 0.438 1135 V N 1.804 121.720 119.914 0.003 0.000 2.370 1135 V HA 0.389 4.519 4.120 0.017 0.000 0.283 1135 V C -0.003 176.096 176.094 0.009 0.000 1.023 1135 V CA -0.220 62.087 62.300 0.012 0.000 0.857 1135 V CB 1.385 33.220 31.823 0.019 0.000 0.985 1135 V HN 0.828 nan 8.190 nan 0.000 0.443 1136 S N 4.892 120.599 115.700 0.010 0.000 4.120 1136 S HA 0.414 4.895 4.470 0.017 0.000 0.196 1136 S C 0.609 175.214 174.600 0.008 0.000 1.447 1136 S CA 0.021 58.225 58.200 0.008 0.000 0.939 1136 S CB -0.326 62.879 63.200 0.007 0.000 1.496 1136 S HN 1.529 nan 8.310 nan 0.000 0.460 1137 G N 1.424 110.229 108.800 0.008 0.000 2.365 1137 G HA2 0.426 4.397 3.960 0.017 0.000 0.249 1137 G HA3 0.426 4.397 3.960 0.017 0.000 0.249 1137 G C 0.104 175.007 174.900 0.005 0.000 1.288 1137 G CA -0.609 44.495 45.100 0.007 0.000 0.887 1137 G HN 0.684 nan 8.290 nan 0.000 0.524 1138 M N 2.562 122.165 119.600 0.004 0.000 2.496 1138 M HA 0.204 4.694 4.480 0.017 0.000 0.330 1138 M C -1.942 174.362 176.300 0.005 0.000 1.133 1138 M CA -0.731 54.572 55.300 0.005 0.000 0.964 1138 M CB 1.136 33.738 32.600 0.004 0.000 1.401 1138 M HN 0.383 nan 8.290 nan 0.000 0.520 1139 P HA 0.376 nan 4.420 nan 0.000 0.282 1139 P C -1.240 176.063 177.300 0.004 0.000 1.249 1139 P CA -0.037 63.066 63.100 0.006 0.000 0.806 1139 P CB 1.512 33.216 31.700 0.006 0.000 0.984 1140 N N -0.037 118.665 118.700 0.004 0.000 3.566 1140 N HA 0.293 5.044 4.740 0.017 0.000 0.354 1140 N C -0.887 174.624 175.510 0.002 0.000 1.632 1140 N CA -0.632 52.420 53.050 0.002 0.000 0.690 1140 N CB 0.929 39.417 38.487 0.002 0.000 2.273 1140 N HN 0.317 nan 8.380 nan 0.000 0.643 1141 D N 0.062 120.462 120.400 0.001 0.000 2.881 1141 D HA 0.239 4.889 4.640 0.017 0.000 0.325 1141 D C -2.106 174.195 176.300 0.000 0.000 1.621 1141 D CA -0.303 53.698 54.000 0.001 0.000 0.785 1141 D CB 0.650 41.450 40.800 0.001 0.000 1.233 1141 D HN 0.374 nan 8.370 nan 0.000 0.447 1142 P HA 0.496 nan 4.420 nan 0.000 0.339 1142 P C -0.520 176.780 177.300 -0.000 0.000 1.267 1142 P CA -0.344 62.756 63.100 0.000 0.000 0.801 1142 P CB 0.700 32.399 31.700 -0.000 0.000 1.860 1143 S N 0.838 116.538 115.700 -0.001 0.000 2.474 1143 S HA 0.493 4.973 4.470 0.017 0.000 0.320 1143 S C -2.255 172.344 174.600 -0.001 0.000 1.067 1143 S CA -0.596 57.603 58.200 -0.002 0.000 1.127 1143 S CB 0.163 63.361 63.200 -0.003 0.000 0.971 1143 S HN 0.290 nan 8.310 nan 0.000 0.472 1144 P HA 0.261 nan 4.420 nan 0.000 0.273 1144 P C -0.730 176.570 177.300 -0.001 0.000 1.250 1144 P CA -0.829 62.272 63.100 0.000 0.000 0.793 1144 P CB 0.431 32.131 31.700 0.001 0.000 1.011 1145 L N 1.382 122.605 121.223 -0.000 0.000 2.290 1145 L HA 0.259 4.609 4.340 0.017 0.000 0.284 1145 L C 0.128 176.997 176.870 -0.003 0.000 1.078 1145 L CA -0.166 54.673 54.840 -0.002 0.000 0.815 1145 L CB 0.344 42.403 42.059 -0.000 0.000 1.162 1145 L HN 0.292 nan 8.230 nan 0.000 0.435 1146 Q N 2.890 122.687 119.800 -0.004 0.000 2.279 1146 Q HA 0.595 4.946 4.340 0.017 0.000 0.256 1146 Q C -0.979 175.018 176.000 -0.005 0.000 0.937 1146 Q CA -0.064 55.737 55.803 -0.005 0.000 0.933 1146 Q CB 1.183 29.917 28.738 -0.005 0.000 1.189 1146 Q HN 0.493 nan 8.270 nan 0.000 0.417 1147 V N 0.059 119.970 119.914 -0.005 0.000 3.114 1147 V HA 1.013 5.143 4.120 0.017 0.000 0.308 1147 V C -1.076 175.017 176.094 -0.003 0.000 1.168 1147 V CA -1.084 61.213 62.300 -0.005 0.000 1.015 1147 V CB 1.812 33.630 31.823 -0.008 0.000 1.050 1147 V HN 0.770 nan 8.190 nan 0.000 0.433 1148 A N 2.122 124.943 122.820 0.002 0.000 2.290 1148 A HA 0.823 5.153 4.320 0.017 0.000 0.310 1148 A C -0.444 177.143 177.584 0.005 0.000 1.202 1148 A CA -0.612 51.432 52.037 0.011 0.000 0.837 1148 A CB 1.152 20.162 19.000 0.017 0.000 1.139 1148 A HN 1.486 nan 8.150 nan 0.000 0.509 1149 V N 4.000 123.913 119.914 -0.002 0.000 2.357 1149 V HA 0.265 4.396 4.120 0.017 0.000 0.284 1149 V C 0.045 176.159 176.094 0.034 0.000 1.018 1149 V CA -0.622 61.637 62.300 -0.068 0.000 0.841 1149 V CB 1.111 32.734 31.823 -0.332 0.000 0.991 1149 V HN 0.836 nan 8.190 nan 0.000 0.437 1150 K N 3.390 123.853 120.400 0.105 0.000 2.227 1150 K HA 0.489 4.819 4.320 0.017 0.000 0.280 1150 K C 0.325 177.137 176.600 0.353 0.000 1.041 1150 K CA -0.267 56.149 56.287 0.214 0.000 0.905 1150 K CB 1.765 34.406 32.500 0.235 0.000 1.068 1150 K HN 0.847 nan 8.250 nan 0.000 0.470 1151 T N 0.259 114.962 114.554 0.247 0.000 2.929 1151 T HA 0.420 4.780 4.350 0.017 0.000 0.284 1151 T C -0.346 174.249 174.700 -0.174 0.000 1.014 1151 T CA -0.992 61.217 62.100 0.180 0.000 1.051 1151 T CB 1.013 69.986 68.868 0.176 0.000 1.028 1151 T HN 0.326 nan 8.240 nan 0.000 0.485 1152 L N 3.746 124.619 121.223 -0.582 0.000 2.264 1152 L HA 0.553 4.904 4.340 0.017 0.000 0.289 1152 L C -2.486 174.087 176.870 -0.495 0.000 1.044 1152 L CA -2.113 52.234 54.840 -0.822 0.000 0.807 1152 L CB 0.745 42.026 42.059 -1.297 0.000 1.192 1152 L HN 0.505 nan 8.230 nan 0.000 0.425 1153 P HA 0.068 nan 4.420 nan 0.000 0.267 1153 P C -0.228 176.913 177.300 -0.265 0.000 1.200 1153 P CA 0.085 62.940 63.100 -0.408 0.000 0.772 1153 P CB 0.515 31.877 31.700 -0.565 0.000 0.855 1154 E N 0.238 120.335 120.200 -0.172 0.000 2.435 1154 E HA 0.034 4.394 4.350 0.017 0.000 0.195 1154 E C -0.140 176.417 176.600 -0.072 0.000 1.029 1154 E CA 0.378 56.706 56.400 -0.120 0.000 0.865 1154 E CB 0.286 29.927 29.700 -0.098 0.000 0.833 1154 E HN 0.173 nan 8.360 nan 0.000 0.510 1155 V N 2.536 122.414 119.914 -0.060 0.000 2.294 1155 V HA 0.172 4.302 4.120 0.017 0.000 0.272 1155 V C 0.076 176.195 176.094 0.043 0.000 1.027 1155 V CA -0.536 61.759 62.300 -0.008 0.000 0.823 1155 V CB 0.119 31.942 31.823 -0.000 0.000 1.030 1155 V HN 0.313 nan 8.190 nan 0.000 0.457 1156 C N 2.362 121.701 119.300 0.065 0.000 3.320 1156 C HA 0.883 5.353 4.460 0.017 0.000 0.335 1156 C C 0.325 175.370 174.990 0.092 0.000 1.430 1156 C CA -0.423 58.690 59.018 0.157 0.000 1.271 1156 C CB 1.360 29.238 27.740 0.230 0.000 1.609 1156 C HN 0.734 nan 8.230 nan 0.000 0.457 1157 S N 0.121 115.874 115.700 0.089 0.000 2.681 1157 S HA 0.417 4.897 4.470 0.017 0.000 0.270 1157 S C 0.627 175.257 174.600 0.049 0.000 1.209 1157 S CA 0.351 58.579 58.200 0.046 0.000 0.988 1157 S CB 0.732 63.944 63.200 0.021 0.000 1.006 1157 S HN 0.885 nan 8.310 nan 0.000 0.558 1158 E N 0.154 120.375 120.200 0.035 0.000 2.118 1158 E HA -0.136 4.224 4.350 0.017 0.000 0.195 1158 E C 2.213 178.842 176.600 0.048 0.000 0.992 1158 E CA 1.424 57.847 56.400 0.038 0.000 0.804 1158 E CB -0.091 29.627 29.700 0.029 0.000 0.741 1158 E HN 0.517 nan 8.360 nan 0.000 0.458 1159 Q N 0.379 120.201 119.800 0.037 0.000 2.083 1159 Q HA -0.134 4.216 4.340 0.017 0.000 0.198 1159 Q C 1.657 177.690 176.000 0.055 0.000 0.969 1159 Q CA 1.063 56.887 55.803 0.035 0.000 0.838 1159 Q CB -0.215 28.527 28.738 0.006 0.000 0.900 1159 Q HN 0.358 nan 8.270 nan 0.000 0.436 1160 D N 1.023 121.458 120.400 0.058 0.000 2.106 1160 D HA -0.194 4.456 4.640 0.017 0.000 0.191 1160 D C 1.835 178.247 176.300 0.188 0.000 0.997 1160 D CA 1.216 55.289 54.000 0.121 0.000 0.834 1160 D CB -0.056 40.861 40.800 0.194 0.000 0.956 1160 D HN 0.342 nan 8.370 nan 0.000 0.448 1161 E N 0.060 120.346 120.200 0.143 0.000 2.038 1161 E HA -0.146 4.214 4.350 0.017 0.000 0.195 1161 E C 2.384 179.093 176.600 0.182 0.000 1.000 1161 E CA 0.697 57.185 56.400 0.147 0.000 0.803 1161 E CB -0.117 29.635 29.700 0.086 0.000 0.750 1161 E HN 0.198 nan 8.360 nan 0.000 0.448 1162 L N 0.758 122.058 121.223 0.129 0.000 2.083 1162 L HA -0.216 4.134 4.340 0.017 0.000 0.209 1162 L C 1.990 178.934 176.870 0.124 0.000 1.083 1162 L CA 1.036 55.944 54.840 0.113 0.000 0.752 1162 L CB -0.328 41.783 42.059 0.086 0.000 0.899 1162 L HN 0.117 nan 8.230 nan 0.000 0.433 1163 D N -0.351 120.133 120.400 0.140 0.000 2.117 1163 D HA -0.206 4.444 4.640 0.017 0.000 0.197 1163 D C 1.933 178.335 176.300 0.170 0.000 0.987 1163 D CA 1.180 55.262 54.000 0.137 0.000 0.829 1163 D CB -0.212 40.666 40.800 0.130 0.000 0.961 1163 D HN 0.220 nan 8.370 nan 0.000 0.460 1164 F N 0.833 120.830 119.950 0.078 0.000 2.102 1164 F HA -0.178 4.359 4.527 0.016 0.000 0.298 1164 F C 2.128 177.948 175.800 0.033 0.000 1.105 1164 F CA 0.844 58.889 58.000 0.075 0.000 1.239 1164 F CB -0.137 38.918 39.000 0.093 0.000 0.991 1164 F HN -0.051 nan 8.300 nan 0.000 0.474 1165 L N 0.178 121.470 121.223 0.114 0.000 2.042 1165 L HA -0.219 4.132 4.340 0.017 0.000 0.210 1165 L C 2.258 179.063 176.870 -0.108 0.000 1.076 1165 L CA 2.009 56.842 54.840 -0.012 0.000 0.749 1165 L CB -0.840 41.260 42.059 0.068 0.000 0.893 1165 L HN 0.309 nan 8.230 nan 0.000 0.432 1166 M N -0.027 119.532 119.600 -0.068 0.000 2.086 1166 M HA -0.211 4.279 4.480 0.017 0.000 0.261 1166 M C 2.240 178.372 176.300 -0.280 0.000 1.067 1166 M CA 2.065 57.279 55.300 -0.143 0.000 1.116 1166 M CB -0.581 31.998 32.600 -0.036 0.000 1.348 1166 M HN 0.525 nan 8.290 nan 0.000 0.407 1167 E N -0.514 119.561 120.200 -0.208 0.000 2.049 1167 E HA -0.274 4.086 4.350 0.017 0.000 0.198 1167 E C 1.872 178.282 176.600 -0.318 0.000 1.007 1167 E CA 1.703 57.968 56.400 -0.226 0.000 0.809 1167 E CB -0.281 29.334 29.700 -0.142 0.000 0.749 1167 E HN 0.559 nan 8.360 nan 0.000 0.450 1168 A N 1.141 123.751 122.820 -0.351 0.000 1.903 1168 A HA -0.239 4.092 4.320 0.017 0.000 0.219 1168 A C 2.289 179.686 177.584 -0.311 0.000 1.191 1168 A CA 1.894 53.743 52.037 -0.314 0.000 0.638 1168 A CB -0.928 17.896 19.000 -0.294 0.000 0.823 1168 A HN 0.370 nan 8.150 nan 0.000 0.451 1169 L N -1.142 119.876 121.223 -0.341 0.000 2.017 1169 L HA -0.187 4.164 4.340 0.017 0.000 0.208 1169 L C 2.558 179.033 176.870 -0.660 0.000 1.073 1169 L CA 1.442 56.057 54.840 -0.375 0.000 0.745 1169 L CB -0.515 41.366 42.059 -0.297 0.000 0.894 1169 L HN 0.377 nan 8.230 nan 0.000 0.432 1170 I N -0.120 119.852 120.570 -0.998 0.000 2.127 1170 I HA -0.351 3.829 4.170 0.017 0.000 0.241 1170 I C 2.374 177.808 176.117 -1.139 0.000 1.075 1170 I CA 1.723 62.249 61.300 -1.290 0.000 1.334 1170 I CB -0.210 37.228 38.000 -0.936 0.000 1.040 1170 I HN 0.144 nan 8.210 nan 0.000 0.405 1171 I N -0.301 119.850 120.570 -0.699 0.000 2.252 1171 I HA -0.249 3.931 4.170 0.017 0.000 0.245 1171 I C 2.422 178.322 176.117 -0.362 0.000 1.102 1171 I CA 1.192 62.216 61.300 -0.460 0.000 1.385 1171 I CB -0.332 37.544 38.000 -0.206 0.000 1.064 1171 I HN 0.135 nan 8.210 nan 0.000 0.414 1172 S N 0.340 115.848 115.700 -0.321 0.000 2.442 1172 S HA -0.141 4.340 4.470 0.017 0.000 0.236 1172 S C 1.841 176.328 174.600 -0.189 0.000 1.007 1172 S CA 1.109 59.193 58.200 -0.194 0.000 0.965 1172 S CB -0.169 62.944 63.200 -0.145 0.000 0.773 1172 S HN 0.385 nan 8.310 nan 0.000 0.504 1173 K N -0.107 120.086 120.400 -0.345 0.000 2.400 1173 K HA 0.177 4.507 4.320 0.017 0.000 0.194 1173 K C -0.459 175.978 176.600 -0.272 0.000 1.033 1173 K CA -0.012 56.135 56.287 -0.233 0.000 1.021 1173 K CB 0.127 32.563 32.500 -0.106 0.000 0.808 1173 K HN 0.196 nan 8.250 nan 0.000 0.505 1174 F N 1.271 121.050 119.950 -0.286 0.000 2.459 1174 F HA 0.106 4.644 4.527 0.017 0.000 0.346 1174 F C 0.675 176.467 175.800 -0.013 0.000 1.128 1174 F CA -0.706 57.199 58.000 -0.160 0.000 1.268 1174 F CB 0.309 39.132 39.000 -0.295 0.000 1.161 1174 F HN -0.097 nan 8.300 nan 0.000 0.583 1175 N N 1.792 120.662 118.700 0.284 0.000 2.690 1175 N HA 0.145 4.896 4.740 0.017 0.000 0.255 1175 N C -1.682 173.660 175.510 -0.280 0.000 1.195 1175 N CA -0.217 52.855 53.050 0.036 0.000 0.790 1175 N CB 0.144 38.704 38.487 0.122 0.000 1.216 1175 N HN 0.618 nan 8.380 nan 0.000 0.528 1176 H N 1.822 120.628 119.070 -0.440 0.000 3.029 1176 H HA 0.116 4.682 4.556 0.017 0.000 0.358 1176 H C 0.339 175.496 175.328 -0.285 0.000 1.129 1176 H CA -0.337 55.385 56.048 -0.542 0.000 1.230 1176 H CB 1.764 30.958 29.762 -0.947 0.000 1.827 1176 H HN 0.492 nan 8.280 nan 0.000 0.530 1177 Q N 2.758 122.166 119.800 -0.652 0.000 2.291 1177 Q HA -0.091 4.259 4.340 0.017 0.000 0.206 1177 Q C -0.199 175.702 176.000 -0.164 0.000 0.976 1177 Q CA 1.191 56.784 55.803 -0.350 0.000 0.875 1177 Q CB 0.080 28.611 28.738 -0.345 0.000 0.927 1177 Q HN 0.445 nan 8.270 nan 0.000 0.450 1178 N N 0.482 119.194 118.700 0.019 0.000 2.276 1178 N HA 0.290 5.040 4.740 0.017 0.000 0.212 1178 N C -0.363 175.176 175.510 0.048 0.000 1.127 1178 N CA 0.126 53.236 53.050 0.100 0.000 0.834 1178 N CB 0.792 39.376 38.487 0.161 0.000 1.014 1178 N HN 0.298 nan 8.380 nan 0.000 0.491 1179 I N 0.882 121.460 120.570 0.013 0.000 2.466 1179 I HA 0.217 4.397 4.170 0.017 0.000 0.289 1179 I C 0.149 176.272 176.117 0.011 0.000 1.026 1179 I CA -0.985 60.312 61.300 -0.004 0.000 1.078 1179 I CB 2.523 40.458 38.000 -0.109 0.000 1.249 1179 I HN -0.338 nan 8.210 nan 0.000 0.429 1180 V N 6.282 126.226 119.914 0.051 0.000 2.752 1180 V HA -0.037 4.093 4.120 0.017 0.000 0.306 1180 V C 0.757 176.872 176.094 0.035 0.000 1.099 1180 V CA -0.008 62.316 62.300 0.040 0.000 1.240 1180 V CB -0.361 31.502 31.823 0.066 0.000 0.887 1180 V HN 0.614 nan 8.190 nan 0.000 0.499 1181 R N 2.456 122.959 120.500 0.006 0.000 2.490 1181 R HA 0.318 4.668 4.340 0.017 0.000 0.278 1181 R C -0.239 176.057 176.300 -0.006 0.000 1.069 1181 R CA -0.450 55.648 56.100 -0.004 0.000 1.080 1181 R CB 0.653 30.943 30.300 -0.017 0.000 1.030 1181 R HN 0.779 nan 8.270 nan 0.000 0.491 1182 C N 4.370 123.657 119.300 -0.022 0.000 2.285 1182 C HA 0.396 4.867 4.460 0.017 0.000 0.335 1182 C C 1.908 176.883 174.990 -0.026 0.000 1.267 1182 C CA -0.603 58.395 59.018 -0.034 0.000 1.762 1182 C CB -1.005 26.692 27.740 -0.070 0.000 2.365 1182 C HN 0.878 nan 8.230 nan 0.000 0.527 1183 I N 4.497 125.058 120.570 -0.014 0.000 3.030 1183 I HA 0.274 4.455 4.170 0.017 0.000 0.270 1183 I C 1.490 177.605 176.117 -0.002 0.000 1.211 1183 I CA 1.198 62.494 61.300 -0.007 0.000 1.479 1183 I CB -0.276 37.723 38.000 -0.001 0.000 1.105 1183 I HN 0.942 nan 8.210 nan 0.000 0.447 1184 G N 0.392 109.190 108.800 -0.003 0.000 2.350 1184 G HA2 0.323 4.293 3.960 0.017 0.000 0.276 1184 G HA3 0.323 4.293 3.960 0.017 0.000 0.276 1184 G C -1.382 173.528 174.900 0.017 0.000 1.313 1184 G CA -0.085 45.017 45.100 0.003 0.000 0.903 1184 G HN 0.106 nan 8.290 nan 0.000 0.490 1185 V N -3.735 116.201 119.914 0.037 0.000 3.188 1185 V HA 0.942 5.072 4.120 0.017 0.000 0.305 1185 V C -0.367 175.785 176.094 0.098 0.000 1.232 1185 V CA -0.137 62.205 62.300 0.070 0.000 1.043 1185 V CB 1.579 33.419 31.823 0.029 0.000 1.068 1185 V HN 1.931 nan 8.190 nan 0.000 0.439 1186 S N 1.148 116.934 115.700 0.143 0.000 2.524 1186 S HA 0.592 5.072 4.470 0.017 0.000 0.227 1186 S C -0.294 174.324 174.600 0.029 0.000 1.304 1186 S CA -0.372 57.876 58.200 0.080 0.000 1.185 1186 S CB 0.654 63.919 63.200 0.107 0.000 1.104 1186 S HN 0.706 nan 8.310 nan 0.000 0.475 1187 L N 3.776 125.017 121.223 0.029 0.000 2.590 1187 L HA 0.422 4.772 4.340 0.017 0.000 0.227 1187 L C 1.881 178.742 176.870 -0.015 0.000 1.099 1187 L CA 1.216 56.078 54.840 0.037 0.000 0.872 1187 L CB -0.272 41.823 42.059 0.061 0.000 1.088 1187 L HN 0.629 nan 8.230 nan 0.000 0.479 1188 Q N -1.461 118.318 119.800 -0.034 0.000 2.280 1188 Q HA 0.223 4.574 4.340 0.017 0.000 0.201 1188 Q C 0.005 175.960 176.000 -0.073 0.000 0.890 1188 Q CA -0.031 55.747 55.803 -0.041 0.000 0.947 1188 Q CB 0.661 29.384 28.738 -0.025 0.000 1.081 1188 Q HN 0.205 nan 8.270 nan 0.000 0.502 1189 S N 0.025 115.650 115.700 -0.124 0.000 2.599 1189 S HA 0.540 5.020 4.470 0.017 0.000 0.294 1189 S C -1.343 173.114 174.600 -0.238 0.000 1.094 1189 S CA -0.675 57.422 58.200 -0.171 0.000 0.931 1189 S CB 1.626 64.707 63.200 -0.199 0.000 1.093 1189 S HN 0.011 nan 8.310 nan 0.000 0.488 1190 L N 3.195 124.287 121.223 -0.218 0.000 2.322 1190 L HA 0.618 4.969 4.340 0.017 0.000 0.281 1190 L C -2.225 174.496 176.870 -0.248 0.000 1.014 1190 L CA -1.979 52.731 54.840 -0.218 0.000 0.815 1190 L CB 0.732 42.708 42.059 -0.139 0.000 1.247 1190 L HN 0.421 nan 8.230 nan 0.000 0.421 1191 P HA 0.373 nan 4.420 nan 0.000 0.276 1191 P C -0.701 176.352 177.300 -0.412 0.000 1.244 1191 P CA -0.747 62.194 63.100 -0.264 0.000 0.801 1191 P CB 0.627 32.239 31.700 -0.147 0.000 1.006 1192 R N 1.138 121.467 120.500 -0.286 0.000 2.590 1192 R HA 0.321 4.671 4.340 0.017 0.000 0.274 1192 R C -0.366 176.008 176.300 0.123 0.000 1.061 1192 R CA 0.233 56.244 56.100 -0.149 0.000 1.081 1192 R CB -0.224 30.037 30.300 -0.066 0.000 0.984 1192 R HN 0.399 nan 8.270 nan 0.000 0.448 1193 F N 2.207 122.282 119.950 0.208 0.000 2.508 1193 F HA 0.506 5.043 4.527 0.017 0.000 0.325 1193 F C 0.639 176.610 175.800 0.285 0.000 1.090 1193 F CA -1.574 56.577 58.000 0.252 0.000 0.945 1193 F CB 0.988 40.053 39.000 0.108 0.000 1.156 1193 F HN 0.221 nan 8.300 nan 0.000 0.463 1194 I N 4.143 124.977 120.570 0.441 0.000 2.412 1194 I HA 0.349 4.529 4.170 0.017 0.000 0.296 1194 I C -1.103 175.074 176.117 0.101 0.000 0.987 1194 I CA -0.928 60.437 61.300 0.108 0.000 1.180 1194 I CB 1.549 39.458 38.000 -0.153 0.000 1.340 1194 I HN 0.134 nan 8.210 nan 0.000 0.455 1195 L N 7.236 128.492 121.223 0.054 0.000 2.305 1195 L HA 0.580 4.931 4.340 0.017 0.000 0.284 1195 L C -0.321 176.554 176.870 0.009 0.000 1.013 1195 L CA -0.375 54.483 54.840 0.030 0.000 0.819 1195 L CB 1.079 43.160 42.059 0.036 0.000 1.227 1195 L HN 0.423 nan 8.230 nan 0.000 0.417 1196 L N 1.332 122.559 121.223 0.008 0.000 2.341 1196 L HA 0.487 4.838 4.340 0.017 0.000 0.267 1196 L C 0.453 177.324 176.870 0.003 0.000 1.009 1196 L CA -0.995 53.848 54.840 0.006 0.000 0.819 1196 L CB 1.898 43.966 42.059 0.016 0.000 1.323 1196 L HN 0.550 nan 8.230 nan 0.000 0.425 1197 E N 1.598 121.798 120.200 -0.001 0.000 2.966 1197 E HA -0.116 4.244 4.350 0.017 0.000 0.254 1197 E C -0.702 175.895 176.600 -0.005 0.000 0.923 1197 E CA -0.172 56.224 56.400 -0.006 0.000 0.960 1197 E CB 0.515 30.210 29.700 -0.009 0.000 0.901 1197 E HN 0.343 nan 8.360 nan 0.000 0.525 1198 L N 6.177 127.395 121.223 -0.008 0.000 2.433 1198 L HA 0.094 4.444 4.340 0.017 0.000 0.275 1198 L C -0.440 176.421 176.870 -0.015 0.000 1.128 1198 L CA 0.323 55.159 54.840 -0.008 0.000 0.875 1198 L CB 0.611 42.666 42.059 -0.006 0.000 1.171 1198 L HN 0.596 nan 8.230 nan 0.000 0.463 1199 M N 5.887 125.478 119.600 -0.016 0.000 2.495 1199 M HA 0.245 4.735 4.480 0.017 0.000 0.346 1199 M C 1.125 177.408 176.300 -0.029 0.000 1.251 1199 M CA -0.132 55.151 55.300 -0.028 0.000 1.249 1199 M CB 0.283 32.866 32.600 -0.028 0.000 1.229 1199 M HN 0.802 nan 8.290 nan 0.000 0.450 1200 A N 2.099 124.901 122.820 -0.030 0.000 2.070 1200 A HA 0.032 4.363 4.320 0.017 0.000 0.220 1200 A C 1.910 179.482 177.584 -0.020 0.000 1.159 1200 A CA 1.880 53.904 52.037 -0.021 0.000 0.656 1200 A CB -0.544 18.446 19.000 -0.018 0.000 0.800 1200 A HN 0.827 nan 8.150 nan 0.000 0.453 1201 G N -1.523 107.246 108.800 -0.050 0.000 2.813 1201 G HA2 0.425 4.396 3.960 0.017 0.000 0.209 1201 G HA3 0.425 4.396 3.960 0.017 0.000 0.209 1201 G C 1.001 175.892 174.900 -0.015 0.000 1.150 1201 G CA 0.604 45.668 45.100 -0.060 0.000 0.785 1201 G HN 1.586 nan 8.290 nan 0.000 0.535 1202 G N 0.572 109.363 108.800 -0.014 0.000 2.693 1202 G HA2 -0.181 3.790 3.960 0.017 0.000 0.226 1202 G HA3 -0.181 3.790 3.960 0.017 0.000 0.226 1202 G C -0.188 174.717 174.900 0.009 0.000 1.354 1202 G CA -0.125 44.982 45.100 0.013 0.000 0.873 1202 G HN 0.751 nan 8.290 nan 0.000 0.562 1203 D N -0.090 120.328 120.400 0.030 0.000 2.362 1203 D HA 0.250 4.901 4.640 0.017 0.000 0.242 1203 D C 1.684 178.031 176.300 0.077 0.000 1.132 1203 D CA -0.135 53.884 54.000 0.033 0.000 0.907 1203 D CB 1.464 42.282 40.800 0.029 0.000 1.195 1203 D HN 0.558 nan 8.370 nan 0.000 0.429 1204 L N 2.685 123.945 121.223 0.063 0.000 2.017 1204 L HA -0.184 4.167 4.340 0.017 0.000 0.208 1204 L C 2.553 179.524 176.870 0.168 0.000 1.073 1204 L CA 1.989 56.898 54.840 0.114 0.000 0.745 1204 L CB -1.094 41.003 42.059 0.063 0.000 0.894 1204 L HN 0.700 nan 8.230 nan 0.000 0.432 1205 K N -1.180 119.293 120.400 0.122 0.000 2.044 1205 K HA -0.183 4.148 4.320 0.017 0.000 0.210 1205 K C 2.087 178.745 176.600 0.097 0.000 1.049 1205 K CA 1.918 58.277 56.287 0.120 0.000 0.927 1205 K CB -0.216 32.357 32.500 0.121 0.000 0.713 1205 K HN 0.367 nan 8.250 nan 0.000 0.443 1206 S N 0.098 115.855 115.700 0.095 0.000 2.383 1206 S HA -0.092 4.388 4.470 0.017 0.000 0.227 1206 S C 1.436 176.081 174.600 0.075 0.000 1.026 1206 S CA 1.061 59.302 58.200 0.067 0.000 0.981 1206 S CB -0.374 62.863 63.200 0.062 0.000 0.818 1206 S HN 0.456 nan 8.310 nan 0.000 0.472 1207 F N 2.391 122.337 119.950 -0.007 0.000 2.102 1207 F HA -0.114 4.423 4.527 0.016 0.000 0.298 1207 F C 1.773 177.562 175.800 -0.017 0.000 1.105 1207 F CA 1.333 59.325 58.000 -0.014 0.000 1.239 1207 F CB -0.391 38.600 39.000 -0.015 0.000 0.991 1207 F HN 0.086 nan 8.300 nan 0.000 0.474 1208 L N 0.370 121.539 121.223 -0.091 0.000 1.990 1208 L HA -0.268 4.082 4.340 0.017 0.000 0.213 1208 L C 2.743 179.493 176.870 -0.201 0.000 1.072 1208 L CA 1.876 56.600 54.840 -0.193 0.000 0.755 1208 L CB -0.784 41.269 42.059 -0.010 0.000 0.889 1208 L HN 0.084 nan 8.230 nan 0.000 0.432 1209 R N -0.071 120.369 120.500 -0.100 0.000 2.103 1209 R HA -0.214 4.136 4.340 0.017 0.000 0.242 1209 R C 2.154 178.377 176.300 -0.129 0.000 1.142 1209 R CA 1.756 57.802 56.100 -0.091 0.000 0.960 1209 R CB -0.335 29.930 30.300 -0.057 0.000 0.858 1209 R HN 0.429 nan 8.270 nan 0.000 0.439 1210 E N -0.670 119.437 120.200 -0.156 0.000 2.274 1210 E HA -0.088 4.272 4.350 0.017 0.000 0.194 1210 E C 1.305 177.770 176.600 -0.225 0.000 0.996 1210 E CA 1.440 57.747 56.400 -0.156 0.000 0.840 1210 E CB 0.320 29.958 29.700 -0.105 0.000 0.772 1210 E HN 0.416 nan 8.360 nan 0.000 0.491 1211 T N -2.423 111.907 114.554 -0.373 0.000 3.084 1211 T HA 0.206 4.566 4.350 0.017 0.000 0.270 1211 T C 0.489 175.029 174.700 -0.266 0.000 1.008 1211 T CA -0.564 61.307 62.100 -0.380 0.000 0.900 1211 T CB 0.139 68.602 68.868 -0.676 0.000 1.084 1211 T HN -0.137 nan 8.240 nan 0.000 0.538 1212 R N 2.810 123.186 120.500 -0.207 0.000 2.486 1212 R HA 0.070 4.420 4.340 0.017 0.000 0.304 1212 R C -2.484 173.757 176.300 -0.098 0.000 0.913 1212 R CA -0.811 55.214 56.100 -0.127 0.000 1.124 1212 R CB -0.371 29.881 30.300 -0.079 0.000 0.891 1212 R HN 0.279 nan 8.270 nan 0.000 0.410 1213 P HA -0.069 nan 4.420 nan 0.000 0.258 1213 P C -0.046 177.227 177.300 -0.045 0.000 1.172 1213 P CA 0.678 63.743 63.100 -0.058 0.000 0.762 1213 P CB 0.528 32.198 31.700 -0.050 0.000 0.764 1214 R N 2.823 123.298 120.500 -0.041 0.000 2.444 1214 R HA 0.169 4.519 4.340 0.017 0.000 0.201 1214 R C -1.638 174.647 176.300 -0.026 0.000 0.861 1214 R CA -0.205 55.875 56.100 -0.033 0.000 1.034 1214 R CB -0.880 29.398 30.300 -0.037 0.000 1.347 1214 R HN 0.359 nan 8.270 nan 0.000 0.659 1215 P HA -0.212 nan 4.420 nan 0.000 0.244 1215 P C 0.139 177.428 177.300 -0.018 0.000 1.052 1215 P CA 0.604 63.692 63.100 -0.020 0.000 0.761 1215 P CB 0.235 31.924 31.700 -0.018 0.000 0.616 1216 S N 2.368 118.058 115.700 -0.017 0.000 2.524 1216 S HA -0.219 4.261 4.470 0.017 0.000 0.304 1216 S C 0.772 175.360 174.600 -0.019 0.000 1.157 1216 S CA 0.904 59.094 58.200 -0.017 0.000 1.875 1216 S CB -0.368 62.822 63.200 -0.016 0.000 1.236 1216 S HN 0.578 nan 8.310 nan 0.000 0.403 1217 Q N 2.562 122.349 119.800 -0.022 0.000 2.478 1217 Q HA 0.034 4.384 4.340 0.017 0.000 0.323 1217 Q C -2.011 173.973 176.000 -0.028 0.000 1.087 1217 Q CA -0.275 55.513 55.803 -0.024 0.000 1.056 1217 Q CB -0.091 28.629 28.738 -0.029 0.000 1.018 1217 Q HN 0.280 nan 8.270 nan 0.000 0.387 1218 P HA -0.001 nan 4.420 nan 0.000 0.310 1218 P C -0.296 176.987 177.300 -0.029 0.000 1.309 1218 P CA -0.128 62.958 63.100 -0.023 0.000 0.753 1218 P CB 0.449 32.139 31.700 -0.017 0.000 1.491 1219 S N -0.479 115.205 115.700 -0.025 0.000 3.315 1219 S HA 0.184 4.664 4.470 0.017 0.000 0.195 1219 S C -0.046 174.540 174.600 -0.023 0.000 1.394 1219 S CA -0.062 58.121 58.200 -0.029 0.000 0.983 1219 S CB -1.061 62.124 63.200 -0.026 0.000 1.370 1219 S HN 0.131 nan 8.310 nan 0.000 0.491 1220 S N 2.535 118.221 115.700 -0.023 0.000 3.513 1220 S HA 0.419 4.899 4.470 0.017 0.000 0.209 1220 S C -0.423 174.174 174.600 -0.006 0.000 1.446 1220 S CA -0.374 57.821 58.200 -0.008 0.000 1.150 1220 S CB -0.550 62.651 63.200 0.002 0.000 1.266 1220 S HN 0.524 nan 8.310 nan 0.000 0.502 1221 L N 1.330 122.543 121.223 -0.017 0.000 2.666 1221 L HA 0.706 5.057 4.340 0.017 0.000 0.259 1221 L C -1.191 175.663 176.870 -0.026 0.000 0.919 1221 L CA -0.014 54.816 54.840 -0.016 0.000 0.927 1221 L CB 1.246 43.271 42.059 -0.057 0.000 1.423 1221 L HN 0.266 nan 8.230 nan 0.000 0.426 1222 A N 3.476 126.283 122.820 -0.022 0.000 2.532 1222 A HA 0.662 4.993 4.320 0.017 0.000 0.290 1222 A C 0.570 178.128 177.584 -0.043 0.000 1.143 1222 A CA -0.333 51.685 52.037 -0.030 0.000 0.728 1222 A CB 1.414 20.401 19.000 -0.022 0.000 1.317 1222 A HN 0.807 nan 8.150 nan 0.000 0.414 1223 M N -0.002 119.584 119.600 -0.023 0.000 2.146 1223 M HA -0.187 4.304 4.480 0.017 0.000 0.256 1223 M C 1.549 177.836 176.300 -0.022 0.000 1.075 1223 M CA 2.077 57.386 55.300 0.015 0.000 1.082 1223 M CB -0.883 31.753 32.600 0.059 0.000 1.355 1223 M HN 0.754 nan 8.290 nan 0.000 0.402 1224 L N -0.402 120.769 121.223 -0.087 0.000 2.156 1224 L HA -0.146 4.204 4.340 0.017 0.000 0.208 1224 L C 1.750 178.438 176.870 -0.303 0.000 1.095 1224 L CA 1.681 56.378 54.840 -0.239 0.000 0.770 1224 L CB -0.773 41.126 42.059 -0.266 0.000 0.914 1224 L HN 0.301 nan 8.230 nan 0.000 0.439 1225 D N -0.227 120.095 120.400 -0.129 0.000 2.116 1225 D HA -0.239 4.411 4.640 0.017 0.000 0.193 1225 D C 2.225 178.499 176.300 -0.043 0.000 0.998 1225 D CA 1.875 55.855 54.000 -0.032 0.000 0.836 1225 D CB -0.195 40.623 40.800 0.031 0.000 0.951 1225 D HN 0.394 nan 8.370 nan 0.000 0.449 1226 L N 0.363 121.507 121.223 -0.132 0.000 2.027 1226 L HA -0.128 4.223 4.340 0.017 0.000 0.206 1226 L C 2.741 179.528 176.870 -0.137 0.000 1.074 1226 L CA 0.638 55.304 54.840 -0.289 0.000 0.745 1226 L CB -0.507 41.114 42.059 -0.730 0.000 0.898 1226 L HN 0.003 nan 8.230 nan 0.000 0.433 1227 L N -0.942 120.296 121.223 0.024 0.000 2.083 1227 L HA -0.243 4.108 4.340 0.017 0.000 0.209 1227 L C 2.556 179.535 176.870 0.180 0.000 1.083 1227 L CA 1.387 56.336 54.840 0.183 0.000 0.752 1227 L CB -0.667 41.468 42.059 0.126 0.000 0.899 1227 L HN 0.323 nan 8.230 nan 0.000 0.433 1228 H N -1.673 117.444 119.070 0.079 0.000 2.357 1228 H HA -0.143 4.424 4.556 0.017 0.000 0.301 1228 H C 2.356 177.717 175.328 0.055 0.000 1.082 1228 H CA 1.015 57.099 56.048 0.060 0.000 1.342 1228 H CB 0.185 29.966 29.762 0.031 0.000 1.389 1228 H HN 0.059 nan 8.280 nan 0.000 0.511 1229 V N 0.917 120.924 119.914 0.155 0.000 2.407 1229 V HA -0.287 3.844 4.120 0.017 0.000 0.248 1229 V C 2.592 178.768 176.094 0.136 0.000 1.055 1229 V CA 1.667 64.020 62.300 0.088 0.000 1.049 1229 V CB -0.728 31.112 31.823 0.028 0.000 0.662 1229 V HN 0.539 nan 8.190 nan 0.000 0.455 1230 A N -0.108 122.822 122.820 0.183 0.000 1.930 1230 A HA -0.214 4.116 4.320 0.017 0.000 0.217 1230 A C 2.423 180.232 177.584 0.375 0.000 1.175 1230 A CA 1.815 54.033 52.037 0.302 0.000 0.627 1230 A CB -0.524 18.697 19.000 0.367 0.000 0.815 1230 A HN 0.490 nan 8.150 nan 0.000 0.443 1231 R N -0.142 120.523 120.500 0.276 0.000 2.070 1231 R HA -0.179 4.171 4.340 0.017 0.000 0.233 1231 R C 1.476 177.872 176.300 0.161 0.000 1.137 1231 R CA 1.956 58.187 56.100 0.217 0.000 0.945 1231 R CB -0.610 29.809 30.300 0.200 0.000 0.845 1231 R HN 0.383 nan 8.270 nan 0.000 0.430 1232 D N 0.857 121.336 120.400 0.132 0.000 2.204 1232 D HA -0.231 4.420 4.640 0.017 0.000 0.189 1232 D C 1.905 178.260 176.300 0.092 0.000 1.006 1232 D CA 1.794 55.846 54.000 0.086 0.000 0.855 1232 D CB -0.232 40.601 40.800 0.056 0.000 0.946 1232 D HN 0.278 nan 8.370 nan 0.000 0.448 1233 I N 0.584 121.239 120.570 0.142 0.000 2.286 1233 I HA -0.119 4.062 4.170 0.017 0.000 0.245 1233 I C 2.479 178.668 176.117 0.120 0.000 1.104 1233 I CA 0.714 62.103 61.300 0.149 0.000 1.397 1233 I CB -1.367 36.769 38.000 0.227 0.000 1.072 1233 I HN -0.096 nan 8.210 nan 0.000 0.417 1234 A N 0.378 123.309 122.820 0.186 0.000 1.917 1234 A HA -0.263 4.067 4.320 0.017 0.000 0.219 1234 A C 2.610 180.100 177.584 -0.157 0.000 1.182 1234 A CA 2.065 54.021 52.037 -0.135 0.000 0.633 1234 A CB -1.232 17.732 19.000 -0.062 0.000 0.819 1234 A HN 0.501 nan 8.150 nan 0.000 0.448 1235 C N -1.325 117.955 119.300 -0.033 0.000 2.429 1235 C HA 0.033 4.503 4.460 0.017 0.000 0.277 1235 C C 3.009 177.891 174.990 -0.179 0.000 1.262 1235 C CA 0.727 59.738 59.018 -0.011 0.000 1.733 1235 C CB -1.524 26.289 27.740 0.122 0.000 2.010 1235 C HN 0.716 nan 8.230 nan 0.000 0.483 1236 G N -1.077 107.615 108.800 -0.181 0.000 2.402 1236 G HA2 -0.225 3.745 3.960 0.017 0.000 0.216 1236 G HA3 -0.225 3.745 3.960 0.017 0.000 0.216 1236 G C 1.620 176.301 174.900 -0.366 0.000 1.162 1236 G CA 1.320 46.221 45.100 -0.332 0.000 0.777 1236 G HN 0.561 nan 8.290 nan 0.000 0.539 1237 C N -0.128 118.896 119.300 -0.461 0.000 2.425 1237 C HA -0.041 4.429 4.460 0.017 0.000 0.277 1237 C C 2.798 177.334 174.990 -0.756 0.000 1.280 1237 C CA 0.920 59.463 59.018 -0.792 0.000 1.744 1237 C CB -0.618 26.164 27.740 -1.597 0.000 1.989 1237 C HN 0.464 nan 8.230 nan 0.000 0.491 1238 Q N -0.711 118.771 119.800 -0.530 0.000 2.170 1238 Q HA -0.204 4.146 4.340 0.017 0.000 0.203 1238 Q C 1.923 177.855 176.000 -0.113 0.000 0.976 1238 Q CA 1.670 57.366 55.803 -0.177 0.000 0.858 1238 Q CB -0.315 28.385 28.738 -0.063 0.000 0.907 1238 Q HN 0.896 nan 8.270 nan 0.000 0.433 1239 Y N 0.508 120.608 120.300 -0.334 0.000 2.220 1239 Y HA -0.150 4.410 4.550 0.017 0.000 0.291 1239 Y C 1.961 177.788 175.900 -0.122 0.000 1.129 1239 Y CA 1.069 59.004 58.100 -0.275 0.000 1.161 1239 Y CB -0.221 37.896 38.460 -0.572 0.000 0.997 1239 Y HN 0.003 nan 8.280 nan 0.000 0.522 1240 L N 0.427 121.570 121.223 -0.133 0.000 1.989 1240 L HA -0.247 4.104 4.340 0.017 0.000 0.211 1240 L C 2.608 179.501 176.870 0.037 0.000 1.071 1240 L CA 2.101 56.929 54.840 -0.019 0.000 0.749 1240 L CB -0.816 41.291 42.059 0.080 0.000 0.890 1240 L HN 0.334 nan 8.230 nan 0.000 0.431 1241 E N 0.716 120.925 120.200 0.015 0.000 2.049 1241 E HA -0.283 4.078 4.350 0.017 0.000 0.198 1241 E C 1.948 178.498 176.600 -0.083 0.000 1.007 1241 E CA 1.844 58.289 56.400 0.076 0.000 0.809 1241 E CB -0.021 29.796 29.700 0.194 0.000 0.749 1241 E HN 0.516 nan 8.360 nan 0.000 0.450 1242 E N -0.264 119.842 120.200 -0.156 0.000 2.265 1242 E HA -0.146 4.215 4.350 0.017 0.000 0.196 1242 E C 0.925 177.185 176.600 -0.567 0.000 0.996 1242 E CA 0.997 57.234 56.400 -0.272 0.000 0.832 1242 E CB -0.067 29.534 29.700 -0.165 0.000 0.756 1242 E HN 0.300 nan 8.360 nan 0.000 0.491 1243 N N -0.110 118.297 118.700 -0.488 0.000 2.238 1243 N HA 0.032 4.782 4.740 0.017 0.000 0.222 1243 N C -0.998 174.389 175.510 -0.205 0.000 1.133 1243 N CA -0.062 52.704 53.050 -0.473 0.000 0.854 1243 N CB 0.457 38.706 38.487 -0.397 0.000 1.041 1243 N HN 0.130 nan 8.380 nan 0.000 0.510 1244 H N -1.049 118.086 119.070 0.109 0.000 2.770 1244 H HA -0.231 4.335 4.556 0.017 0.000 0.309 1244 H C -0.798 174.694 175.328 0.274 0.000 1.206 1244 H CA 0.592 56.732 56.048 0.152 0.000 1.147 1244 H CB -2.144 27.664 29.762 0.077 0.000 1.422 1244 H HN 0.294 nan 8.280 nan 0.000 0.420 1245 F N 1.789 121.903 119.950 0.273 0.000 2.427 1245 F HA 0.459 4.995 4.527 0.016 0.000 0.346 1245 F C -0.062 175.909 175.800 0.285 0.000 1.120 1245 F CA -1.276 56.929 58.000 0.342 0.000 1.033 1245 F CB 0.667 39.952 39.000 0.475 0.000 1.126 1245 F HN -0.007 nan 8.300 nan 0.000 0.462 1246 I N 6.397 127.032 120.570 0.108 0.000 2.331 1246 I HA 0.098 4.278 4.170 0.017 0.000 0.292 1246 I C 1.251 177.526 176.117 0.263 0.000 0.998 1246 I CA -0.243 61.190 61.300 0.223 0.000 1.267 1246 I CB 0.947 39.032 38.000 0.143 0.000 1.386 1246 I HN 0.761 nan 8.210 nan 0.000 0.476 1247 H N 7.524 126.813 119.070 0.365 0.000 2.343 1247 H HA 0.046 4.612 4.556 0.016 0.000 0.303 1247 H C 0.561 176.007 175.328 0.198 0.000 1.068 1247 H CA 1.518 57.798 56.048 0.388 0.000 1.359 1247 H CB 0.583 30.494 29.762 0.248 0.000 1.402 1247 H HN 0.625 nan 8.280 nan 0.000 0.515 1248 R N -0.700 119.975 120.500 0.292 0.000 3.728 1248 R HA -0.161 4.190 4.340 0.017 0.000 0.478 1248 R C -0.496 175.941 176.300 0.229 0.000 0.932 1248 R CA 1.149 57.362 56.100 0.187 0.000 1.317 1248 R CB -1.504 28.698 30.300 -0.164 0.000 1.987 1248 R HN 0.350 nan 8.270 nan 0.000 0.509 1249 D N -0.018 120.624 120.400 0.403 0.000 3.120 1249 D HA 0.154 4.805 4.640 0.017 0.000 0.331 1249 D C -0.451 175.984 176.300 0.225 0.000 1.595 1249 D CA -0.265 53.875 54.000 0.233 0.000 0.771 1249 D CB 0.304 41.126 40.800 0.036 0.000 1.274 1249 D HN 0.036 nan 8.370 nan 0.000 0.503 1250 I N 2.002 122.697 120.570 0.209 0.000 2.683 1250 I HA 0.491 4.672 4.170 0.017 0.000 0.286 1250 I C 0.677 176.783 176.117 -0.019 0.000 1.175 1250 I CA 0.069 61.368 61.300 -0.002 0.000 1.429 1250 I CB 0.097 38.194 38.000 0.162 0.000 1.371 1250 I HN 0.311 nan 8.210 nan 0.000 0.569 1251 A N 4.650 127.410 122.820 -0.099 0.000 2.596 1251 A HA 0.564 4.894 4.320 0.017 0.000 0.305 1251 A C 0.369 177.925 177.584 -0.047 0.000 1.032 1251 A CA -0.048 51.860 52.037 -0.215 0.000 0.776 1251 A CB 0.101 18.618 19.000 -0.806 0.000 1.253 1251 A HN 0.781 nan 8.150 nan 0.000 0.402 1252 A N 1.846 124.735 122.820 0.114 0.000 1.978 1252 A HA -0.167 4.164 4.320 0.017 0.000 0.220 1252 A C 1.934 179.539 177.584 0.036 0.000 1.170 1252 A CA 2.083 54.176 52.037 0.093 0.000 0.636 1252 A CB -0.553 18.546 19.000 0.166 0.000 0.810 1252 A HN 1.349 nan 8.150 nan 0.000 0.448 1253 R N -0.889 119.616 120.500 0.008 0.000 2.285 1253 R HA -0.022 4.329 4.340 0.017 0.000 0.213 1253 R C 0.452 176.728 176.300 -0.039 0.000 1.068 1253 R CA 1.497 57.592 56.100 -0.008 0.000 1.004 1253 R CB -0.408 29.881 30.300 -0.019 0.000 0.873 1253 R HN 0.349 nan 8.270 nan 0.000 0.467 1254 N N -0.021 118.633 118.700 -0.077 0.000 2.236 1254 N HA 0.094 4.844 4.740 0.017 0.000 0.196 1254 N C -0.614 174.834 175.510 -0.102 0.000 1.114 1254 N CA -0.003 52.993 53.050 -0.090 0.000 0.859 1254 N CB 0.484 38.906 38.487 -0.109 0.000 0.982 1254 N HN 0.156 nan 8.380 nan 0.000 0.493 1255 C N 1.014 120.271 119.300 -0.070 0.000 2.366 1255 C HA 0.650 5.121 4.460 0.017 0.000 0.345 1255 C C 0.330 175.297 174.990 -0.039 0.000 1.209 1255 C CA -0.883 58.098 59.018 -0.062 0.000 2.050 1255 C CB 0.391 28.105 27.740 -0.043 0.000 2.359 1255 C HN 0.158 nan 8.230 nan 0.000 0.527 1256 L N 1.980 123.174 121.223 -0.047 0.000 2.333 1256 L HA 0.722 5.072 4.340 0.017 0.000 0.263 1256 L C -0.780 176.040 176.870 -0.084 0.000 1.014 1256 L CA -0.523 54.288 54.840 -0.050 0.000 0.820 1256 L CB 1.138 43.177 42.059 -0.033 0.000 1.352 1256 L HN 0.444 nan 8.230 nan 0.000 0.421 1257 L N -0.206 120.945 121.223 -0.120 0.000 2.346 1257 L HA 0.419 4.769 4.340 0.017 0.000 0.274 1257 L C 1.189 177.979 176.870 -0.133 0.000 1.007 1257 L CA -0.415 54.317 54.840 -0.180 0.000 0.818 1257 L CB 2.035 43.874 42.059 -0.366 0.000 1.284 1257 L HN 0.827 nan 8.230 nan 0.000 0.424 1258 T N -2.295 112.188 114.554 -0.118 0.000 2.788 1258 T HA -0.090 4.271 4.350 0.017 0.000 0.268 1258 T C 0.631 175.282 174.700 -0.080 0.000 1.044 1258 T CA 0.784 62.834 62.100 -0.084 0.000 1.139 1258 T CB -0.365 68.460 68.868 -0.073 0.000 0.867 1258 T HN 0.724 nan 8.240 nan 0.000 0.454 1259 C N -1.346 117.888 119.300 -0.109 0.000 3.318 1259 C HA 0.718 5.188 4.460 0.017 0.000 0.322 1259 C C -2.260 172.658 174.990 -0.121 0.000 1.398 1259 C CA -1.508 57.460 59.018 -0.082 0.000 1.339 1259 C CB 1.355 29.065 27.740 -0.049 0.000 1.668 1259 C HN 0.050 nan 8.230 nan 0.000 0.462 1260 P HA 0.164 nan 4.420 nan 0.000 0.219 1260 P C 0.950 178.316 177.300 0.110 0.000 1.154 1260 P CA 1.654 64.798 63.100 0.074 0.000 0.826 1260 P CB -0.152 31.647 31.700 0.166 0.000 0.795 1261 G N 0.853 109.688 108.800 0.058 0.000 2.553 1261 G HA2 0.361 4.331 3.960 0.017 0.000 0.278 1261 G HA3 0.361 4.331 3.960 0.017 0.000 0.278 1261 G C -2.503 172.420 174.900 0.037 0.000 1.349 1261 G CA -1.148 43.989 45.100 0.062 0.000 1.037 1261 G HN 0.033 nan 8.290 nan 0.000 0.508 1262 P HA 0.232 nan 4.420 nan 0.000 0.268 1262 P C 0.825 178.132 177.300 0.010 0.000 1.208 1262 P CA 1.340 64.461 63.100 0.035 0.000 0.777 1262 P CB 0.850 32.572 31.700 0.038 0.000 0.875 1263 G N 1.029 109.832 108.800 0.006 0.000 2.176 1263 G HA2 -0.249 3.722 3.960 0.017 0.000 0.253 1263 G HA3 -0.249 3.722 3.960 0.017 0.000 0.253 1263 G C 0.233 175.108 174.900 -0.042 0.000 0.979 1263 G CA 0.086 45.174 45.100 -0.020 0.000 0.641 1263 G HN 0.841 nan 8.290 nan 0.000 0.530 1264 R N -0.397 120.071 120.500 -0.053 0.000 2.679 1264 R HA 0.566 4.917 4.340 0.017 0.000 0.268 1264 R C -0.172 176.073 176.300 -0.091 0.000 1.044 1264 R CA 0.135 56.175 56.100 -0.100 0.000 1.105 1264 R CB 1.499 31.689 30.300 -0.184 0.000 0.989 1264 R HN 0.821 nan 8.270 nan 0.000 0.447 1265 V N 1.481 121.336 119.914 -0.099 0.000 2.588 1265 V HA 0.676 4.806 4.120 0.017 0.000 0.304 1265 V C -0.520 175.521 176.094 -0.089 0.000 1.042 1265 V CA -0.543 61.709 62.300 -0.081 0.000 0.877 1265 V CB 1.538 33.318 31.823 -0.072 0.000 0.996 1265 V HN 1.055 nan 8.190 nan 0.000 0.425 1266 A N 6.628 129.408 122.820 -0.067 0.000 2.309 1266 A HA 0.828 5.159 4.320 0.017 0.000 0.298 1266 A C -0.168 177.395 177.584 -0.036 0.000 1.165 1266 A CA -0.526 51.474 52.037 -0.062 0.000 0.821 1266 A CB 0.570 19.548 19.000 -0.038 0.000 1.102 1266 A HN 0.912 nan 8.150 nan 0.000 0.500 1267 K N 1.816 122.191 120.400 -0.043 0.000 2.477 1267 K HA 0.522 4.853 4.320 0.017 0.000 0.255 1267 K C -1.335 175.234 176.600 -0.052 0.000 0.952 1267 K CA -0.652 55.615 56.287 -0.034 0.000 0.826 1267 K CB 2.209 34.693 32.500 -0.026 0.000 1.331 1267 K HN 0.615 nan 8.250 nan 0.000 0.437 1268 I N 1.158 121.684 120.570 -0.073 0.000 2.471 1268 I HA 0.137 4.317 4.170 0.017 0.000 0.286 1268 I C 1.032 177.100 176.117 -0.081 0.000 1.079 1268 I CA 0.319 61.522 61.300 -0.160 0.000 1.398 1268 I CB 0.873 38.705 38.000 -0.279 0.000 1.403 1268 I HN 0.949 nan 8.210 nan 0.000 0.530 1269 G N 4.525 113.263 108.800 -0.103 0.000 3.695 1269 G HA2 0.071 4.042 3.960 0.017 0.000 0.277 1269 G HA3 0.071 4.042 3.960 0.017 0.000 0.277 1269 G C -0.251 174.662 174.900 0.021 0.000 1.001 1269 G CA -0.041 45.069 45.100 0.016 0.000 0.837 1269 G HN 0.603 nan 8.290 nan 0.000 0.492 1270 D N -0.321 119.985 120.400 -0.157 0.000 2.863 1270 D HA 0.410 5.061 4.640 0.017 0.000 0.245 1270 D C -0.970 175.174 176.300 -0.260 0.000 1.211 1270 D CA -0.560 53.398 54.000 -0.071 0.000 0.888 1270 D CB 1.736 42.513 40.800 -0.037 0.000 1.483 1270 D HN -0.031 nan 8.370 nan 0.000 0.533 1271 F N 1.332 121.322 119.950 0.065 0.000 2.817 1271 F HA 0.259 4.798 4.527 0.020 0.000 0.319 1271 F C 1.943 177.724 175.800 -0.032 0.000 1.136 1271 F CA -0.520 57.478 58.000 -0.003 0.000 1.177 1271 F CB 1.231 40.272 39.000 0.069 0.000 1.088 1271 F HN 0.530 nan 8.300 nan 0.000 0.520 1272 G N 0.732 109.588 108.800 0.094 0.000 2.513 1272 G HA2 -0.359 3.612 3.960 0.017 0.000 0.219 1272 G HA3 -0.359 3.612 3.960 0.017 0.000 0.219 1272 G C 1.664 176.584 174.900 0.034 0.000 1.160 1272 G CA 1.442 46.588 45.100 0.075 0.000 0.767 1272 G HN 0.280 nan 8.290 nan 0.000 0.571 1273 M N 1.460 121.030 119.600 -0.049 0.000 2.099 1273 M HA 0.256 4.747 4.480 0.017 0.000 0.262 1273 M C 2.703 178.932 176.300 -0.118 0.000 1.067 1273 M CA 1.629 56.852 55.300 -0.128 0.000 1.124 1273 M CB -0.575 31.893 32.600 -0.219 0.000 1.353 1273 M HN 0.226 nan 8.290 nan 0.000 0.410 1274 A N 0.591 123.361 122.820 -0.084 0.000 1.883 1274 A HA -0.224 4.107 4.320 0.017 0.000 0.217 1274 A C 2.384 180.007 177.584 0.064 0.000 1.186 1274 A CA 2.084 54.116 52.037 -0.008 0.000 0.624 1274 A CB -0.932 18.220 19.000 0.254 0.000 0.822 1274 A HN 0.577 nan 8.150 nan 0.000 0.444 1275 R N 0.087 120.647 120.500 0.100 0.000 2.083 1275 R HA -0.197 4.154 4.340 0.017 0.000 0.237 1275 R C 1.433 177.799 176.300 0.109 0.000 1.137 1275 R CA 2.322 58.475 56.100 0.090 0.000 0.951 1275 R CB -0.871 29.463 30.300 0.057 0.000 0.851 1275 R HN 0.491 nan 8.270 nan 0.000 0.434 1276 D N 0.595 121.035 120.400 0.067 0.000 2.104 1276 D HA -0.155 4.496 4.640 0.017 0.000 0.194 1276 D C 1.961 178.282 176.300 0.035 0.000 0.994 1276 D CA 1.219 55.256 54.000 0.061 0.000 0.830 1276 D CB -0.168 40.699 40.800 0.111 0.000 0.959 1276 D HN 0.235 nan 8.370 nan 0.000 0.452 1277 I N -0.131 120.437 120.570 -0.004 0.000 2.353 1277 I HA -0.215 3.966 4.170 0.017 0.000 0.248 1277 I C 2.261 178.389 176.117 0.018 0.000 1.119 1277 I CA 0.676 61.957 61.300 -0.032 0.000 1.417 1277 I CB -1.314 36.600 38.000 -0.143 0.000 1.078 1277 I HN 0.051 nan 8.210 nan 0.000 0.421 1278 Y N 2.405 122.680 120.300 -0.041 0.000 2.114 1278 Y HA -0.271 4.289 4.550 0.016 0.000 0.282 1278 Y C 2.923 178.840 175.900 0.028 0.000 1.165 1278 Y CA 1.942 60.046 58.100 0.007 0.000 1.148 1278 Y CB -0.080 38.408 38.460 0.047 0.000 0.972 1278 Y HN 0.034 nan 8.280 nan 0.000 0.504 1279 R N 0.076 120.666 120.500 0.151 0.000 2.061 1279 R HA 0.017 4.368 4.340 0.017 0.000 0.230 1279 R C 1.237 177.542 176.300 0.008 0.000 1.140 1279 R CA 0.851 57.002 56.100 0.085 0.000 0.940 1279 R CB -0.694 29.669 30.300 0.105 0.000 0.839 1279 R HN 0.318 nan 8.270 nan 0.000 0.429 1280 A N -0.573 122.246 122.820 -0.002 0.000 2.517 1280 A HA 0.489 4.819 4.320 0.017 0.000 0.280 1280 A C 1.244 178.869 177.584 0.068 0.000 1.353 1280 A CA 0.107 52.159 52.037 0.025 0.000 0.907 1280 A CB 0.077 19.045 19.000 -0.054 0.000 1.495 1280 A HN 0.324 nan 8.150 nan 0.000 0.506 1281 G N -2.525 106.410 108.800 0.226 0.000 2.880 1281 G HA2 0.390 4.360 3.960 0.017 0.000 0.209 1281 G HA3 0.390 4.360 3.960 0.017 0.000 0.209 1281 G C 0.142 175.202 174.900 0.267 0.000 1.157 1281 G CA 1.345 46.562 45.100 0.195 0.000 0.779 1281 G HN 0.942 nan 8.290 nan 0.000 0.539 1282 Y N -3.543 116.768 120.300 0.019 0.000 2.900 1282 Y HA 0.589 5.149 4.550 0.017 0.000 0.318 1282 Y C -1.212 174.765 175.900 0.129 0.000 1.457 1282 Y CA -3.415 54.718 58.100 0.055 0.000 1.082 1282 Y CB 0.480 38.980 38.460 0.068 0.000 1.419 1282 Y HN -0.157 nan 8.280 nan 0.000 0.459 1283 Y N 3.556 123.745 120.300 -0.185 0.000 2.724 1283 Y HA 0.323 4.881 4.550 0.013 0.000 0.354 1283 Y C 1.724 177.368 175.900 -0.428 0.000 1.270 1283 Y CA -0.648 57.306 58.100 -0.244 0.000 1.902 1283 Y CB -0.396 38.035 38.460 -0.049 0.000 1.981 1283 Y HN 0.769 nan 8.280 nan 0.000 0.428 1284 R N 1.334 121.404 120.500 -0.717 0.000 2.092 1284 R HA -0.142 4.208 4.340 0.017 0.000 0.231 1284 R C 1.908 177.970 176.300 -0.396 0.000 1.119 1284 R CA 1.414 57.090 56.100 -0.708 0.000 0.970 1284 R CB 0.173 30.065 30.300 -0.680 0.000 0.864 1284 R HN 0.444 nan 8.270 nan 0.000 0.440 1285 K N -0.396 119.770 120.400 -0.390 0.000 2.404 1285 K HA 0.039 4.370 4.320 0.017 0.000 0.194 1285 K C 0.798 177.092 176.600 -0.511 0.000 1.023 1285 K CA 0.418 56.498 56.287 -0.344 0.000 1.094 1285 K CB 0.391 32.746 32.500 -0.241 0.000 0.841 1285 K HN 0.164 nan 8.250 nan 0.000 0.523 1286 G N -0.063 108.160 108.800 -0.962 0.000 3.075 1286 G HA2 0.585 4.555 3.960 0.017 0.000 0.156 1286 G HA3 0.585 4.555 3.960 0.017 0.000 0.156 1286 G C -0.159 174.398 174.900 -0.572 0.000 1.403 1286 G CA -0.123 44.258 45.100 -1.198 0.000 1.033 1286 G HN 0.407 nan 8.290 nan 0.000 0.589 1287 G N -3.133 105.436 108.800 -0.386 0.000 2.341 1287 G HA2 0.249 4.219 3.960 0.017 0.000 0.293 1287 G HA3 0.249 4.219 3.960 0.017 0.000 0.293 1287 G C 0.270 175.217 174.900 0.078 0.000 1.298 1287 G CA 0.356 45.413 45.100 -0.073 0.000 0.868 1287 G HN 0.780 nan 8.290 nan 0.000 0.540 1288 C N 0.291 119.642 119.300 0.085 0.000 2.457 1288 C HA 0.311 4.781 4.460 0.017 0.000 0.278 1288 C C 3.345 178.400 174.990 0.108 0.000 1.309 1288 C CA 2.327 61.414 59.018 0.115 0.000 1.735 1288 C CB -1.193 26.595 27.740 0.080 0.000 1.992 1288 C HN 1.050 nan 8.230 nan 0.000 0.493 1289 A N -0.560 122.304 122.820 0.074 0.000 2.070 1289 A HA -0.097 4.233 4.320 0.017 0.000 0.220 1289 A C 2.017 179.661 177.584 0.100 0.000 1.159 1289 A CA 1.501 53.579 52.037 0.068 0.000 0.656 1289 A CB -0.442 18.582 19.000 0.041 0.000 0.800 1289 A HN 0.666 nan 8.150 nan 0.000 0.453 1290 M N -0.709 118.970 119.600 0.131 0.000 2.509 1290 M HA 0.237 4.728 4.480 0.017 0.000 0.250 1290 M C -0.162 176.323 176.300 0.308 0.000 1.132 1290 M CA 0.052 55.468 55.300 0.192 0.000 1.080 1290 M CB 0.042 32.726 32.600 0.140 0.000 1.408 1290 M HN 0.199 nan 8.290 nan 0.000 0.484 1291 L N 3.132 124.539 121.223 0.306 0.000 2.456 1291 L HA 0.105 4.455 4.340 0.017 0.000 0.272 1291 L C -1.506 175.487 176.870 0.204 0.000 1.189 1291 L CA -1.278 53.706 54.840 0.240 0.000 0.846 1291 L CB 0.115 42.310 42.059 0.227 0.000 1.111 1291 L HN -0.063 nan 8.230 nan 0.000 0.475 1292 P HA 0.004 nan 4.420 nan 0.000 0.220 1292 P C 0.958 178.527 177.300 0.449 0.000 1.806 1292 P CA -0.134 63.163 63.100 0.329 0.000 0.976 1292 P CB 0.153 31.960 31.700 0.180 0.000 1.952 1293 V N 0.050 120.138 119.914 0.291 0.000 2.594 1293 V HA -0.214 3.917 4.120 0.017 0.000 0.253 1293 V C 1.949 178.131 176.094 0.146 0.000 1.069 1293 V CA 1.308 63.713 62.300 0.174 0.000 1.082 1293 V CB -1.238 30.569 31.823 -0.027 0.000 0.680 1293 V HN 0.107 nan 8.190 nan 0.000 0.469 1294 K N -0.818 119.674 120.400 0.154 0.000 2.362 1294 K HA -0.041 4.289 4.320 0.017 0.000 0.200 1294 K C 1.587 178.191 176.600 0.006 0.000 1.046 1294 K CA 1.562 57.797 56.287 -0.088 0.000 0.952 1294 K CB -0.146 32.128 32.500 -0.376 0.000 0.753 1294 K HN 0.687 nan 8.250 nan 0.000 0.466 1295 W N 0.133 121.602 121.300 0.282 0.000 3.132 1295 W HA 0.280 4.942 4.660 0.004 0.000 0.364 1295 W C -0.018 176.762 176.519 0.435 0.000 1.129 1295 W CA -0.426 57.153 57.345 0.390 0.000 1.815 1295 W CB 0.218 29.865 29.460 0.311 0.000 1.099 1295 W HN -0.024 nan 8.180 nan 0.000 0.605 1296 M N 1.775 121.642 119.600 0.445 0.000 2.336 1296 M HA 0.290 4.780 4.480 0.017 0.000 0.342 1296 M C -2.055 173.963 176.300 -0.471 0.000 1.128 1296 M CA -1.699 53.677 55.300 0.127 0.000 1.016 1296 M CB 1.978 34.707 32.600 0.215 0.000 1.665 1296 M HN -0.423 nan 8.290 nan 0.000 0.445 1297 P HA 0.202 nan 4.420 nan 0.000 0.274 1297 P C -2.449 173.988 177.300 -1.437 0.000 1.246 1297 P CA -1.245 60.737 63.100 -1.863 0.000 0.795 1297 P CB -0.059 30.941 31.700 -1.167 0.000 1.006 1298 P HA -0.186 nan 4.420 nan 0.000 0.215 1298 P C 1.416 177.972 177.300 -1.239 0.000 1.153 1298 P CA 1.711 63.873 63.100 -1.562 0.000 0.853 1298 P CB -0.193 31.005 31.700 -0.837 0.000 0.788 1299 E N 0.795 120.504 120.200 -0.818 0.000 2.204 1299 E HA -0.150 4.211 4.350 0.017 0.000 0.195 1299 E C 1.813 178.053 176.600 -0.601 0.000 0.990 1299 E CA 1.521 57.586 56.400 -0.558 0.000 0.821 1299 E CB -0.998 28.471 29.700 -0.385 0.000 0.750 1299 E HN 0.161 nan 8.360 nan 0.000 0.477 1300 A N 1.646 123.996 122.820 -0.783 0.000 1.843 1300 A HA -0.016 4.314 4.320 0.017 0.000 0.213 1300 A C 2.077 179.357 177.584 -0.507 0.000 1.202 1300 A CA 1.303 52.837 52.037 -0.839 0.000 0.607 1300 A CB -1.077 17.353 19.000 -0.950 0.000 0.847 1300 A HN 0.415 nan 8.150 nan 0.000 0.445 1301 F N -2.425 117.359 119.950 -0.276 0.000 2.502 1301 F HA 0.078 4.620 4.527 0.026 0.000 0.298 1301 F C 1.873 177.614 175.800 -0.099 0.000 1.111 1301 F CA 0.630 58.552 58.000 -0.129 0.000 1.445 1301 F CB -0.355 38.585 39.000 -0.101 0.000 1.081 1301 F HN -0.008 nan 8.300 nan 0.000 0.558 1302 M N 0.265 119.741 119.600 -0.207 0.000 2.394 1302 M HA 0.052 4.543 4.480 0.017 0.000 0.266 1302 M C 1.357 177.622 176.300 -0.059 0.000 1.098 1302 M CA 1.114 56.383 55.300 -0.053 0.000 1.149 1302 M CB -0.566 31.950 32.600 -0.140 0.000 1.369 1302 M HN 0.236 nan 8.290 nan 0.000 0.450 1303 E N -1.214 118.911 120.200 -0.126 0.000 2.571 1303 E HA 0.243 4.603 4.350 0.017 0.000 0.222 1303 E C 0.866 177.440 176.600 -0.043 0.000 0.904 1303 E CA 0.600 56.951 56.400 -0.083 0.000 1.157 1303 E CB 0.906 30.535 29.700 -0.118 0.000 1.158 1303 E HN 0.487 nan 8.360 nan 0.000 0.540 1304 G N 2.531 111.294 108.800 -0.061 0.000 2.160 1304 G HA2 -0.287 3.683 3.960 0.017 0.000 0.251 1304 G HA3 -0.287 3.683 3.960 0.017 0.000 0.251 1304 G C 0.288 175.224 174.900 0.059 0.000 1.008 1304 G CA 0.376 45.522 45.100 0.078 0.000 0.724 1304 G HN 0.232 nan 8.290 nan 0.000 0.514 1305 I N 0.209 120.673 120.570 -0.177 0.000 2.371 1305 I HA 0.503 4.683 4.170 0.017 0.000 0.290 1305 I C -0.013 175.895 176.117 -0.348 0.000 1.028 1305 I CA -0.356 60.864 61.300 -0.132 0.000 1.345 1305 I CB 0.493 38.411 38.000 -0.136 0.000 1.407 1305 I HN -0.003 nan 8.210 nan 0.000 0.501 1306 F N 4.196 124.141 119.950 -0.009 0.000 2.529 1306 F HA 0.568 5.103 4.527 0.014 0.000 0.320 1306 F C 0.452 176.273 175.800 0.036 0.000 1.118 1306 F CA -0.479 57.530 58.000 0.016 0.000 0.915 1306 F CB 2.166 41.182 39.000 0.027 0.000 1.161 1306 F HN 0.432 nan 8.300 nan 0.000 0.445 1307 T N -2.338 112.338 114.554 0.204 0.000 2.696 1307 T HA 0.298 4.658 4.350 0.017 0.000 0.291 1307 T C 0.533 175.360 174.700 0.212 0.000 1.095 1307 T CA -0.586 61.617 62.100 0.171 0.000 1.026 1307 T CB 1.372 70.303 68.868 0.104 0.000 1.390 1307 T HN 0.219 nan 8.240 nan 0.000 0.513 1308 S N 0.008 115.832 115.700 0.207 0.000 2.481 1308 S HA 0.011 4.492 4.470 0.017 0.000 0.231 1308 S C 1.749 176.489 174.600 0.233 0.000 0.996 1308 S CA 0.367 58.725 58.200 0.264 0.000 0.942 1308 S CB -0.337 63.021 63.200 0.262 0.000 0.768 1308 S HN 0.496 nan 8.310 nan 0.000 0.520 1309 K N 1.149 121.639 120.400 0.149 0.000 2.288 1309 K HA 0.002 4.333 4.320 0.017 0.000 0.201 1309 K C 2.312 179.013 176.600 0.168 0.000 1.048 1309 K CA 1.275 57.627 56.287 0.110 0.000 0.956 1309 K CB -0.961 31.576 32.500 0.063 0.000 0.746 1309 K HN 0.628 nan 8.250 nan 0.000 0.461 1310 T N -0.607 114.051 114.554 0.173 0.000 2.904 1310 T HA -0.093 4.268 4.350 0.017 0.000 0.267 1310 T C 1.417 176.337 174.700 0.366 0.000 1.059 1310 T CA 1.020 63.235 62.100 0.191 0.000 1.137 1310 T CB -0.047 68.854 68.868 0.055 0.000 0.879 1310 T HN -0.032 nan 8.240 nan 0.000 0.467 1311 D N 1.370 122.019 120.400 0.416 0.000 2.117 1311 D HA -0.056 4.594 4.640 0.017 0.000 0.197 1311 D C 2.328 178.991 176.300 0.605 0.000 0.987 1311 D CA 1.487 55.809 54.000 0.537 0.000 0.829 1311 D CB -0.836 40.313 40.800 0.582 0.000 0.961 1311 D HN 0.388 nan 8.370 nan 0.000 0.460 1312 T N 0.745 115.512 114.554 0.356 0.000 2.624 1312 T HA -0.213 4.147 4.350 0.017 0.000 0.268 1312 T C 1.575 176.476 174.700 0.335 0.000 1.041 1312 T CA 1.287 63.429 62.100 0.070 0.000 1.159 1312 T CB -0.358 68.417 68.868 -0.155 0.000 0.863 1312 T HN 0.346 nan 8.240 nan 0.000 0.434 1313 W N 1.762 123.202 121.300 0.233 0.000 2.335 1313 W HA -0.163 4.505 4.660 0.013 0.000 0.311 1313 W C 2.386 179.195 176.519 0.485 0.000 1.213 1313 W CA 1.530 59.092 57.345 0.362 0.000 1.274 1313 W CB -0.874 28.751 29.460 0.275 0.000 1.148 1313 W HN 0.230 nan 8.180 nan 0.000 0.498 1314 S N 0.470 116.658 115.700 0.814 0.000 2.400 1314 S HA -0.233 4.247 4.470 0.017 0.000 0.232 1314 S C 1.565 176.540 174.600 0.625 0.000 1.025 1314 S CA 1.664 60.315 58.200 0.751 0.000 0.993 1314 S CB -0.884 62.695 63.200 0.631 0.000 0.808 1314 S HN 0.344 nan 8.310 nan 0.000 0.478 1315 F N 2.224 122.441 119.950 0.446 0.000 2.146 1315 F HA 0.050 4.589 4.527 0.019 0.000 0.298 1315 F C 2.315 178.285 175.800 0.284 0.000 1.096 1315 F CA 1.191 59.416 58.000 0.374 0.000 1.275 1315 F CB -0.958 38.308 39.000 0.444 0.000 1.008 1315 F HN 0.223 nan 8.300 nan 0.000 0.480 1316 G N 0.224 109.197 108.800 0.289 0.000 2.513 1316 G HA2 -0.294 3.677 3.960 0.017 0.000 0.219 1316 G HA3 -0.294 3.677 3.960 0.017 0.000 0.219 1316 G C 1.688 176.780 174.900 0.319 0.000 1.160 1316 G CA 1.557 46.647 45.100 -0.016 0.000 0.767 1316 G HN 0.350 nan 8.290 nan 0.000 0.571 1317 V N 0.799 121.048 119.914 0.559 0.000 2.427 1317 V HA -0.108 4.023 4.120 0.017 0.000 0.248 1317 V C 2.652 178.978 176.094 0.387 0.000 1.051 1317 V CA 1.537 64.103 62.300 0.443 0.000 1.048 1317 V CB -0.485 31.453 31.823 0.193 0.000 0.666 1317 V HN 0.381 nan 8.190 nan 0.000 0.456 1318 L N -0.136 121.282 121.223 0.324 0.000 2.012 1318 L HA -0.184 4.167 4.340 0.017 0.000 0.210 1318 L C 2.232 179.170 176.870 0.112 0.000 1.073 1318 L CA 1.911 56.875 54.840 0.206 0.000 0.748 1318 L CB -0.603 41.444 42.059 -0.019 0.000 0.891 1318 L HN 0.186 nan 8.230 nan 0.000 0.431 1319 L N -1.709 119.500 121.223 -0.024 0.000 1.990 1319 L HA -0.299 4.052 4.340 0.017 0.000 0.213 1319 L C 2.477 179.556 176.870 0.349 0.000 1.072 1319 L CA 2.270 57.182 54.840 0.119 0.000 0.755 1319 L CB -0.768 41.307 42.059 0.027 0.000 0.889 1319 L HN 0.564 nan 8.230 nan 0.000 0.432 1320 W N 1.047 122.456 121.300 0.182 0.000 2.338 1320 W HA -0.233 4.437 4.660 0.016 0.000 0.304 1320 W C 2.475 179.098 176.519 0.173 0.000 1.212 1320 W CA 1.802 59.274 57.345 0.211 0.000 1.264 1320 W CB 0.009 29.615 29.460 0.243 0.000 1.142 1320 W HN 0.130 nan 8.180 nan 0.000 0.512 1321 E N 0.008 120.521 120.200 0.522 0.000 2.077 1321 E HA -0.263 4.098 4.350 0.017 0.000 0.193 1321 E C 2.059 178.744 176.600 0.142 0.000 0.989 1321 E CA 1.884 58.518 56.400 0.389 0.000 0.800 1321 E CB -0.483 29.464 29.700 0.411 0.000 0.746 1321 E HN 0.400 nan 8.360 nan 0.000 0.452 1322 I N -0.006 120.623 120.570 0.098 0.000 2.202 1322 I HA -0.240 3.941 4.170 0.017 0.000 0.242 1322 I C 1.842 177.803 176.117 -0.261 0.000 1.091 1322 I CA 1.168 62.415 61.300 -0.088 0.000 1.368 1322 I CB -0.165 37.742 38.000 -0.155 0.000 1.058 1322 I HN 0.032 nan 8.210 nan 0.000 0.410 1323 F N 0.544 120.425 119.950 -0.116 0.000 2.661 1323 F HA -0.078 4.459 4.527 0.016 0.000 0.298 1323 F C 2.593 178.195 175.800 -0.329 0.000 1.137 1323 F CA 0.823 58.711 58.000 -0.187 0.000 1.454 1323 F CB -0.294 38.612 39.000 -0.157 0.000 1.103 1323 F HN 0.088 nan 8.300 nan 0.000 0.577 1324 S N -0.211 115.271 115.700 -0.363 0.000 2.593 1324 S HA 0.076 4.556 4.470 0.017 0.000 0.217 1324 S C 0.862 175.350 174.600 -0.186 0.000 0.966 1324 S CA -0.058 57.825 58.200 -0.528 0.000 0.914 1324 S CB -0.613 61.954 63.200 -1.056 0.000 0.776 1324 S HN 0.351 nan 8.310 nan 0.000 0.523 1325 L N 0.422 121.576 121.223 -0.115 0.000 3.608 1325 L HA -0.171 4.180 4.340 0.017 0.000 0.422 1325 L C 0.937 177.845 176.870 0.064 0.000 1.260 1325 L CA 0.125 54.940 54.840 -0.041 0.000 0.889 1325 L CB -2.419 39.611 42.059 -0.048 0.000 1.821 1325 L HN 0.667 nan 8.230 nan 0.000 0.884 1326 G N -2.221 106.642 108.800 0.105 0.000 2.142 1326 G HA2 -0.307 3.663 3.960 0.017 0.000 0.225 1326 G HA3 -0.307 3.663 3.960 0.017 0.000 0.225 1326 G C -0.118 174.896 174.900 0.190 0.000 1.015 1326 G CA -0.002 45.182 45.100 0.141 0.000 0.716 1326 G HN 0.361 nan 8.290 nan 0.000 0.508 1327 Y N -0.801 119.552 120.300 0.089 0.000 2.326 1327 Y HA 0.598 5.159 4.550 0.019 0.000 0.333 1327 Y C 1.037 177.134 175.900 0.328 0.000 1.240 1327 Y CA -0.583 57.625 58.100 0.180 0.000 1.365 1327 Y CB 0.853 39.413 38.460 0.166 0.000 1.289 1327 Y HN 0.276 nan 8.280 nan 0.000 0.548 1328 M N 6.162 125.982 119.600 0.367 0.000 2.269 1328 M HA 0.187 4.677 4.480 0.017 0.000 0.350 1328 M C -2.424 174.007 176.300 0.218 0.000 1.429 1328 M CA -1.570 53.899 55.300 0.281 0.000 1.063 1328 M CB 0.082 32.784 32.600 0.170 0.000 1.841 1328 M HN 0.245 nan 8.290 nan 0.000 0.455 1329 P HA -0.073 nan 4.420 nan 0.000 0.266 1329 P C -1.193 175.886 177.300 -0.368 0.000 1.186 1329 P CA 0.495 63.265 63.100 -0.550 0.000 0.767 1329 P CB -0.079 31.237 31.700 -0.641 0.000 0.820 1330 Y N 0.503 120.383 120.300 -0.701 0.000 2.982 1330 Y HA -0.197 4.361 4.550 0.014 0.000 0.192 1330 Y C -1.102 174.637 175.900 -0.269 0.000 1.397 1330 Y CA -0.363 57.445 58.100 -0.486 0.000 0.844 1330 Y CB -2.629 35.555 38.460 -0.459 0.000 1.290 1330 Y HN 0.526 nan 8.280 nan 0.000 0.408 1331 P HA -0.302 nan 4.420 nan 0.000 0.219 1331 P C 1.453 178.775 177.300 0.037 0.000 1.158 1331 P CA 2.659 65.810 63.100 0.085 0.000 0.895 1331 P CB 0.045 31.857 31.700 0.187 0.000 0.792 1332 S N -3.017 112.676 115.700 -0.011 0.000 2.524 1332 S HA 0.113 4.594 4.470 0.017 0.000 0.216 1332 S C 0.724 175.295 174.600 -0.048 0.000 0.987 1332 S CA -0.034 58.154 58.200 -0.020 0.000 0.909 1332 S CB -0.369 62.817 63.200 -0.023 0.000 0.781 1332 S HN 0.111 nan 8.310 nan 0.000 0.521 1333 K N 2.769 123.120 120.400 -0.081 0.000 2.144 1333 K HA 0.415 4.745 4.320 0.017 0.000 0.270 1333 K C 0.335 176.878 176.600 -0.095 0.000 1.005 1333 K CA -0.248 55.968 56.287 -0.118 0.000 0.932 1333 K CB 1.136 33.510 32.500 -0.211 0.000 1.021 1333 K HN 0.378 nan 8.250 nan 0.000 0.462 1334 S N 1.247 116.891 115.700 -0.092 0.000 2.634 1334 S HA 0.081 4.561 4.470 0.017 0.000 0.261 1334 S C 0.947 175.475 174.600 -0.121 0.000 1.271 1334 S CA -0.610 57.543 58.200 -0.077 0.000 0.985 1334 S CB 0.650 63.816 63.200 -0.056 0.000 0.968 1334 S HN 0.515 nan 8.310 nan 0.000 0.568 1335 N N 0.890 119.534 118.700 -0.094 0.000 2.061 1335 N HA -0.176 4.574 4.740 0.017 0.000 0.193 1335 N C 1.771 177.171 175.510 -0.182 0.000 1.030 1335 N CA 1.868 54.843 53.050 -0.126 0.000 0.856 1335 N CB -0.878 37.575 38.487 -0.057 0.000 1.023 1335 N HN 0.800 nan 8.380 nan 0.000 0.424 1336 Q N 1.140 120.859 119.800 -0.134 0.000 2.084 1336 Q HA -0.062 4.289 4.340 0.017 0.000 0.202 1336 Q C 1.567 177.477 176.000 -0.149 0.000 0.978 1336 Q CA 1.533 57.251 55.803 -0.141 0.000 0.844 1336 Q CB -0.162 28.523 28.738 -0.087 0.000 0.898 1336 Q HN 0.449 nan 8.270 nan 0.000 0.426 1337 E N -1.074 119.047 120.200 -0.133 0.000 2.110 1337 E HA -0.153 4.207 4.350 0.017 0.000 0.193 1337 E C 1.939 178.448 176.600 -0.152 0.000 0.988 1337 E CA 1.375 57.705 56.400 -0.118 0.000 0.804 1337 E CB 0.010 29.638 29.700 -0.120 0.000 0.745 1337 E HN 0.182 nan 8.360 nan 0.000 0.458 1338 V N 1.402 121.153 119.914 -0.273 0.000 2.307 1338 V HA -0.210 3.920 4.120 0.017 0.000 0.245 1338 V C 2.224 178.109 176.094 -0.348 0.000 1.045 1338 V CA 1.453 63.493 62.300 -0.433 0.000 1.024 1338 V CB -0.406 31.012 31.823 -0.674 0.000 0.651 1338 V HN 0.291 nan 8.190 nan 0.000 0.449 1339 L N 0.700 121.670 121.223 -0.421 0.000 2.046 1339 L HA -0.168 4.183 4.340 0.017 0.000 0.208 1339 L C 2.188 178.902 176.870 -0.260 0.000 1.077 1339 L CA 1.959 56.436 54.840 -0.605 0.000 0.747 1339 L CB -1.345 40.233 42.059 -0.802 0.000 0.896 1339 L HN 0.419 nan 8.230 nan 0.000 0.432 1340 E N -0.817 119.303 120.200 -0.132 0.000 2.077 1340 E HA -0.256 4.104 4.350 0.017 0.000 0.193 1340 E C 2.045 178.683 176.600 0.064 0.000 0.989 1340 E CA 1.704 58.095 56.400 -0.016 0.000 0.800 1340 E CB -0.439 29.258 29.700 -0.006 0.000 0.746 1340 E HN 0.622 nan 8.360 nan 0.000 0.452 1341 F N 1.049 120.940 119.950 -0.098 0.000 2.075 1341 F HA -0.217 4.324 4.527 0.024 0.000 0.297 1341 F C 2.194 177.999 175.800 0.008 0.000 1.113 1341 F CA 1.119 59.089 58.000 -0.051 0.000 1.218 1341 F CB -0.112 38.834 39.000 -0.091 0.000 0.984 1341 F HN -0.208 nan 8.300 nan 0.000 0.472 1342 V N -0.182 119.788 119.914 0.095 0.000 2.358 1342 V HA -0.290 3.841 4.120 0.017 0.000 0.246 1342 V C 2.328 178.530 176.094 0.181 0.000 1.047 1342 V CA 2.354 64.727 62.300 0.122 0.000 1.035 1342 V CB -0.970 30.989 31.823 0.226 0.000 0.658 1342 V HN 0.445 nan 8.190 nan 0.000 0.452 1343 T N 0.532 115.207 114.554 0.203 0.000 2.720 1343 T HA -0.170 4.190 4.350 0.017 0.000 0.268 1343 T C 1.839 176.601 174.700 0.103 0.000 1.037 1343 T CA 1.978 64.218 62.100 0.233 0.000 1.144 1343 T CB -0.295 68.693 68.868 0.200 0.000 0.864 1343 T HN 0.715 nan 8.240 nan 0.000 0.444 1344 S N -0.148 115.554 115.700 0.003 0.000 2.650 1344 S HA 0.391 4.871 4.470 0.017 0.000 0.219 1344 S C 1.639 176.159 174.600 -0.134 0.000 0.960 1344 S CA 0.571 58.731 58.200 -0.068 0.000 0.925 1344 S CB 0.053 63.219 63.200 -0.056 0.000 0.775 1344 S HN 0.709 nan 8.310 nan 0.000 0.525 1345 G N 0.162 108.886 108.800 -0.126 0.000 2.201 1345 G HA2 -0.086 3.884 3.960 0.017 0.000 0.212 1345 G HA3 -0.086 3.884 3.960 0.017 0.000 0.212 1345 G C 0.427 175.182 174.900 -0.242 0.000 0.994 1345 G CA -0.370 44.654 45.100 -0.126 0.000 0.644 1345 G HN 1.065 nan 8.290 nan 0.000 0.508 1346 G N 0.354 108.789 108.800 -0.608 0.000 2.380 1346 G HA2 0.484 4.454 3.960 0.017 0.000 0.242 1346 G HA3 0.484 4.454 3.960 0.017 0.000 0.242 1346 G C -0.001 174.484 174.900 -0.691 0.000 1.298 1346 G CA 0.097 44.391 45.100 -1.343 0.000 0.878 1346 G HN 0.386 nan 8.290 nan 0.000 0.542 1347 R N 1.713 122.115 120.500 -0.165 0.000 2.725 1347 R HA 0.304 4.655 4.340 0.017 0.000 0.277 1347 R C 0.192 176.656 176.300 0.274 0.000 0.987 1347 R CA -1.069 55.107 56.100 0.127 0.000 0.901 1347 R CB 1.522 31.917 30.300 0.159 0.000 1.207 1347 R HN 0.590 nan 8.270 nan 0.000 0.463 1348 M N 1.679 121.213 119.600 -0.109 0.000 2.252 1348 M HA -0.006 4.485 4.480 0.017 0.000 0.329 1348 M C 0.228 176.688 176.300 0.266 0.000 1.101 1348 M CA 0.737 55.915 55.300 -0.203 0.000 1.117 1348 M CB 0.250 32.286 32.600 -0.941 0.000 1.563 1348 M HN 0.264 nan 8.290 nan 0.000 0.445 1349 D N 3.121 123.659 120.400 0.230 0.000 2.371 1349 D HA 0.253 4.904 4.640 0.017 0.000 0.242 1349 D C -2.239 174.197 176.300 0.226 0.000 1.218 1349 D CA -0.891 53.236 54.000 0.211 0.000 0.945 1349 D CB 0.113 40.971 40.800 0.096 0.000 1.137 1349 D HN 0.251 nan 8.370 nan 0.000 0.464 1350 P HA 0.183 nan 4.420 nan 0.000 0.271 1350 P C -2.439 174.782 177.300 -0.132 0.000 1.218 1350 P CA -0.867 61.997 63.100 -0.393 0.000 0.780 1350 P CB -0.152 31.081 31.700 -0.779 0.000 0.901 1351 P HA 0.064 nan 4.420 nan 0.000 0.269 1351 P C -0.356 176.769 177.300 -0.291 0.000 1.215 1351 P CA -0.094 62.723 63.100 -0.471 0.000 0.780 1351 P CB 0.289 31.565 31.700 -0.706 0.000 0.898 1352 K N 2.908 123.134 120.400 -0.290 0.000 2.477 1352 K HA -0.121 4.210 4.320 0.017 0.000 0.275 1352 K C 0.394 176.904 176.600 -0.151 0.000 1.054 1352 K CA 0.982 57.150 56.287 -0.198 0.000 1.135 1352 K CB -1.108 31.275 32.500 -0.196 0.000 0.854 1352 K HN 0.383 nan 8.250 nan 0.000 0.484 1353 N N 0.917 119.546 118.700 -0.118 0.000 2.965 1353 N HA -0.240 4.510 4.740 0.017 0.000 0.232 1353 N C -0.578 174.887 175.510 -0.074 0.000 0.913 1353 N CA 1.041 54.041 53.050 -0.082 0.000 0.981 1353 N CB -2.045 36.406 38.487 -0.061 0.000 1.077 1353 N HN 0.628 nan 8.380 nan 0.000 0.589 1354 C N 2.747 121.984 119.300 -0.106 0.000 2.638 1354 C HA 0.224 4.694 4.460 0.017 0.000 0.410 1354 C C -1.554 173.365 174.990 -0.118 0.000 1.404 1354 C CA -1.065 57.886 59.018 -0.110 0.000 1.651 1354 C CB -0.584 27.063 27.740 -0.155 0.000 2.495 1354 C HN 0.205 nan 8.230 nan 0.000 0.606 1355 P HA 0.192 nan 4.420 nan 0.000 0.271 1355 P C 0.799 178.054 177.300 -0.076 0.000 1.216 1355 P CA 0.405 63.452 63.100 -0.089 0.000 0.776 1355 P CB 0.571 32.221 31.700 -0.084 0.000 0.881 1356 G N 3.778 112.558 108.800 -0.034 0.000 2.469 1356 G HA2 -0.208 3.763 3.960 0.017 0.000 0.219 1356 G HA3 -0.208 3.763 3.960 0.017 0.000 0.219 1356 G C -1.006 173.906 174.900 0.019 0.000 1.150 1356 G CA 0.922 46.033 45.100 0.019 0.000 0.763 1356 G HN 0.454 nan 8.290 nan 0.000 0.561 1357 P HA -0.035 nan 4.420 nan 0.000 0.215 1357 P C 2.124 179.383 177.300 -0.069 0.000 1.153 1357 P CA 0.837 63.926 63.100 -0.018 0.000 0.853 1357 P CB -0.065 31.630 31.700 -0.008 0.000 0.788 1358 V N -1.503 118.324 119.914 -0.145 0.000 2.358 1358 V HA -0.256 3.875 4.120 0.017 0.000 0.246 1358 V C 2.278 178.252 176.094 -0.200 0.000 1.047 1358 V CA 1.662 63.794 62.300 -0.280 0.000 1.035 1358 V CB -1.368 30.059 31.823 -0.660 0.000 0.658 1358 V HN 0.097 nan 8.190 nan 0.000 0.452 1359 Y N 1.026 121.179 120.300 -0.245 0.000 2.200 1359 Y HA -0.257 4.302 4.550 0.016 0.000 0.290 1359 Y C 2.829 178.614 175.900 -0.191 0.000 1.137 1359 Y CA 1.972 59.959 58.100 -0.188 0.000 1.163 1359 Y CB -0.042 38.355 38.460 -0.105 0.000 0.988 1359 Y HN 0.076 nan 8.280 nan 0.000 0.518 1360 R N 0.634 121.049 120.500 -0.143 0.000 2.103 1360 R HA -0.221 4.130 4.340 0.017 0.000 0.242 1360 R C 2.027 178.148 176.300 -0.299 0.000 1.142 1360 R CA 2.397 58.367 56.100 -0.216 0.000 0.960 1360 R CB -0.544 29.702 30.300 -0.090 0.000 0.858 1360 R HN 0.506 nan 8.270 nan 0.000 0.439 1361 I N 0.178 120.599 120.570 -0.248 0.000 2.179 1361 I HA -0.350 3.830 4.170 0.017 0.000 0.242 1361 I C 2.356 178.227 176.117 -0.410 0.000 1.088 1361 I CA 1.624 62.779 61.300 -0.242 0.000 1.357 1361 I CB -0.284 37.639 38.000 -0.127 0.000 1.051 1361 I HN 0.263 nan 8.210 nan 0.000 0.409 1362 M N 0.391 119.651 119.600 -0.567 0.000 2.080 1362 M HA -0.204 4.286 4.480 0.017 0.000 0.260 1362 M C 2.510 177.917 176.300 -1.489 0.000 1.068 1362 M CA 2.519 57.169 55.300 -1.084 0.000 1.109 1362 M CB -1.176 30.738 32.600 -1.144 0.000 1.342 1362 M HN 0.424 nan 8.290 nan 0.000 0.405 1363 T N -1.789 112.119 114.554 -1.077 0.000 2.881 1363 T HA -0.151 4.210 4.350 0.017 0.000 0.270 1363 T C 1.871 176.310 174.700 -0.435 0.000 1.068 1363 T CA 1.039 62.721 62.100 -0.697 0.000 1.131 1363 T CB -0.297 68.255 68.868 -0.526 0.000 0.871 1363 T HN 0.351 nan 8.240 nan 0.000 0.479 1364 Q N 0.010 119.566 119.800 -0.406 0.000 2.123 1364 Q HA 0.024 4.374 4.340 0.017 0.000 0.199 1364 Q C 2.648 178.496 176.000 -0.255 0.000 0.966 1364 Q CA 1.100 56.753 55.803 -0.250 0.000 0.845 1364 Q CB -0.656 27.963 28.738 -0.199 0.000 0.907 1364 Q HN 0.645 nan 8.270 nan 0.000 0.439 1365 C N -0.410 118.639 119.300 -0.419 0.000 2.419 1365 C HA -0.126 4.344 4.460 0.017 0.000 0.281 1365 C C 1.614 176.450 174.990 -0.257 0.000 1.336 1365 C CA 0.149 58.963 59.018 -0.340 0.000 1.770 1365 C CB -0.985 26.524 27.740 -0.386 0.000 1.929 1365 C HN 0.569 nan 8.230 nan 0.000 0.509 1366 W N 0.373 121.435 121.300 -0.398 0.000 3.325 1366 W HA 0.290 4.964 4.660 0.023 0.000 0.370 1366 W C 0.557 177.011 176.519 -0.108 0.000 1.169 1366 W CA -0.642 56.285 57.345 -0.696 0.000 1.874 1366 W CB -1.226 27.622 29.460 -1.019 0.000 1.076 1366 W HN 0.349 nan 8.180 nan 0.000 0.684 1367 Q N 0.260 120.167 119.800 0.177 0.000 2.304 1367 Q HA -0.140 4.210 4.340 0.017 0.000 0.301 1367 Q C 1.259 177.474 176.000 0.358 0.000 1.063 1367 Q CA 0.842 56.775 55.803 0.217 0.000 0.947 1367 Q CB 0.743 29.549 28.738 0.113 0.000 1.201 1367 Q HN 0.303 nan 8.270 nan 0.000 0.389 1368 H N 1.470 120.674 119.070 0.223 0.000 2.290 1368 H HA -0.099 4.467 4.556 0.017 0.000 0.298 1368 H C 0.043 175.426 175.328 0.092 0.000 1.087 1368 H CA 1.556 57.708 56.048 0.173 0.000 1.291 1368 H CB 0.593 30.410 29.762 0.090 0.000 1.369 1368 H HN 0.384 nan 8.280 nan 0.000 0.492 1369 Q N 1.423 121.316 119.800 0.154 0.000 2.295 1369 Q HA 0.054 4.405 4.340 0.017 0.000 0.259 1369 Q C -1.669 174.360 176.000 0.049 0.000 0.976 1369 Q CA -1.886 53.956 55.803 0.064 0.000 0.923 1369 Q CB 0.878 29.654 28.738 0.063 0.000 1.185 1369 Q HN 0.384 nan 8.270 nan 0.000 0.410 1370 P HA -0.250 nan 4.420 nan 0.000 0.216 1370 P C 0.883 178.197 177.300 0.024 0.000 1.154 1370 P CA 1.554 64.667 63.100 0.021 0.000 0.865 1370 P CB 0.278 31.969 31.700 -0.015 0.000 0.789 1371 E N -0.190 120.019 120.200 0.016 0.000 2.338 1371 E HA -0.172 4.189 4.350 0.017 0.000 0.197 1371 E C 0.894 177.500 176.600 0.010 0.000 1.007 1371 E CA 1.015 57.422 56.400 0.012 0.000 0.849 1371 E CB -1.007 28.698 29.700 0.009 0.000 0.774 1371 E HN 0.277 nan 8.360 nan 0.000 0.506 1372 D N 0.868 121.281 120.400 0.021 0.000 2.349 1372 D HA 0.057 4.708 4.640 0.017 0.000 0.215 1372 D C 0.292 176.595 176.300 0.005 0.000 1.016 1372 D CA 0.197 54.207 54.000 0.017 0.000 0.870 1372 D CB 0.138 40.961 40.800 0.037 0.000 0.917 1372 D HN 0.127 nan 8.370 nan 0.000 0.524 1373 R N 1.545 122.051 120.500 0.010 0.000 2.410 1373 R HA 0.288 4.639 4.340 0.017 0.000 0.288 1373 R C -2.252 174.010 176.300 -0.063 0.000 1.051 1373 R CA -1.460 54.631 56.100 -0.014 0.000 1.021 1373 R CB 0.753 31.071 30.300 0.031 0.000 1.032 1373 R HN -0.010 nan 8.270 nan 0.000 0.481 1374 P HA -0.010 nan 4.420 nan 0.000 0.275 1374 P C -1.136 176.035 177.300 -0.216 0.000 1.228 1374 P CA -0.419 62.594 63.100 -0.143 0.000 0.786 1374 P CB 0.555 32.159 31.700 -0.160 0.000 0.927 1375 N N 0.896 119.494 118.700 -0.171 0.000 2.408 1375 N HA 0.074 4.824 4.740 0.017 0.000 0.260 1375 N C 0.626 175.971 175.510 -0.276 0.000 1.242 1375 N CA -0.344 52.584 53.050 -0.202 0.000 0.959 1375 N CB -0.418 38.040 38.487 -0.048 0.000 1.201 1375 N HN 0.222 nan 8.380 nan 0.000 0.511 1376 F N -0.976 118.932 119.950 -0.071 0.000 2.269 1376 F HA -0.033 4.504 4.527 0.016 0.000 0.301 1376 F C 2.383 178.123 175.800 -0.101 0.000 1.082 1376 F CA 1.378 59.300 58.000 -0.130 0.000 1.360 1376 F CB -0.353 38.562 39.000 -0.141 0.000 1.041 1376 F HN 0.686 nan 8.300 nan 0.000 0.512 1377 A N 0.308 123.179 122.820 0.085 0.000 1.930 1377 A HA -0.121 4.209 4.320 0.017 0.000 0.217 1377 A C 2.161 179.749 177.584 0.007 0.000 1.175 1377 A CA 1.412 53.476 52.037 0.046 0.000 0.627 1377 A CB -0.902 18.120 19.000 0.036 0.000 0.815 1377 A HN 0.384 nan 8.150 nan 0.000 0.443 1378 I N -0.333 120.219 120.570 -0.029 0.000 2.315 1378 I HA -0.217 3.963 4.170 0.017 0.000 0.248 1378 I C 2.223 178.305 176.117 -0.058 0.000 1.117 1378 I CA 1.021 62.291 61.300 -0.051 0.000 1.404 1378 I CB -0.240 37.716 38.000 -0.073 0.000 1.071 1378 I HN 0.297 nan 8.210 nan 0.000 0.419 1379 I N 0.241 120.755 120.570 -0.094 0.000 2.179 1379 I HA -0.318 3.863 4.170 0.017 0.000 0.242 1379 I C 2.508 178.620 176.117 -0.008 0.000 1.088 1379 I CA 1.471 62.716 61.300 -0.092 0.000 1.357 1379 I CB -0.313 37.548 38.000 -0.231 0.000 1.051 1379 I HN 0.219 nan 8.210 nan 0.000 0.409 1380 L N 0.776 122.008 121.223 0.016 0.000 2.012 1380 L HA -0.250 4.100 4.340 0.017 0.000 0.210 1380 L C 2.756 179.664 176.870 0.063 0.000 1.073 1380 L CA 2.110 56.982 54.840 0.054 0.000 0.748 1380 L CB -0.507 41.586 42.059 0.057 0.000 0.891 1380 L HN 0.425 nan 8.230 nan 0.000 0.431 1381 E N -0.359 119.865 120.200 0.040 0.000 2.150 1381 E HA -0.246 4.114 4.350 0.017 0.000 0.193 1381 E C 2.184 178.822 176.600 0.063 0.000 0.985 1381 E CA 0.834 57.261 56.400 0.045 0.000 0.814 1381 E CB -0.187 29.521 29.700 0.014 0.000 0.752 1381 E HN 0.385 nan 8.360 nan 0.000 0.466 1382 R N 0.327 120.851 120.500 0.039 0.000 2.092 1382 R HA 0.032 4.383 4.340 0.017 0.000 0.231 1382 R C 2.349 178.720 176.300 0.118 0.000 1.119 1382 R CA 1.469 57.604 56.100 0.059 0.000 0.970 1382 R CB -0.241 30.062 30.300 0.004 0.000 0.864 1382 R HN 0.267 nan 8.270 nan 0.000 0.440 1383 I N 0.488 121.126 120.570 0.114 0.000 2.493 1383 I HA -0.198 3.983 4.170 0.017 0.000 0.254 1383 I C 1.748 177.952 176.117 0.145 0.000 1.160 1383 I CA 1.215 62.599 61.300 0.141 0.000 1.445 1383 I CB -0.040 38.071 38.000 0.184 0.000 1.086 1383 I HN 0.168 nan 8.210 nan 0.000 0.433 1384 E N -0.120 120.166 120.200 0.144 0.000 2.107 1384 E HA -0.233 4.127 4.350 0.017 0.000 0.191 1384 E C 1.980 178.675 176.600 0.157 0.000 0.982 1384 E CA 1.026 57.510 56.400 0.141 0.000 0.809 1384 E CB -0.134 29.640 29.700 0.125 0.000 0.756 1384 E HN 0.478 nan 8.360 nan 0.000 0.459 1385 Y N 0.310 120.628 120.300 0.031 0.000 2.128 1385 Y HA -0.356 4.204 4.550 0.017 0.000 0.284 1385 Y C 2.285 178.193 175.900 0.015 0.000 1.154 1385 Y CA 1.304 59.414 58.100 0.017 0.000 1.149 1385 Y CB -0.094 38.369 38.460 0.005 0.000 0.976 1385 Y HN 0.114 nan 8.280 nan 0.000 0.505 1386 C N -0.943 118.405 119.300 0.080 0.000 2.413 1386 C HA -0.221 4.249 4.460 0.017 0.000 0.276 1386 C C 2.807 177.780 174.990 -0.029 0.000 1.248 1386 C CA 1.804 60.819 59.018 -0.006 0.000 1.742 1386 C CB -1.410 26.345 27.740 0.026 0.000 2.017 1386 C HN 0.603 nan 8.230 nan 0.000 0.481 1387 T N 0.053 114.618 114.554 0.019 0.000 2.759 1387 T HA -0.208 4.153 4.350 0.017 0.000 0.269 1387 T C 1.744 176.430 174.700 -0.022 0.000 1.042 1387 T CA 1.601 63.713 62.100 0.019 0.000 1.140 1387 T CB -0.219 68.701 68.868 0.086 0.000 0.864 1387 T HN 0.673 nan 8.240 nan 0.000 0.455 1388 Q N 0.206 119.967 119.800 -0.065 0.000 2.378 1388 Q HA 0.036 4.386 4.340 0.017 0.000 0.205 1388 Q C 0.331 176.246 176.000 -0.142 0.000 0.954 1388 Q CA 0.244 55.990 55.803 -0.095 0.000 0.901 1388 Q CB 0.153 28.824 28.738 -0.113 0.000 0.981 1388 Q HN 0.322 nan 8.270 nan 0.000 0.483 1389 D N 0.708 121.001 120.400 -0.179 0.000 2.365 1389 D HA 0.071 4.721 4.640 0.017 0.000 0.237 1389 D C -1.930 174.313 176.300 -0.096 0.000 1.190 1389 D CA -2.372 51.525 54.000 -0.172 0.000 0.867 1389 D CB 1.397 42.071 40.800 -0.210 0.000 1.050 1389 D HN -0.144 nan 8.370 nan 0.000 0.491 1390 P HA -0.117 nan 4.420 nan 0.000 0.216 1390 P C 0.705 177.979 177.300 -0.044 0.000 1.150 1390 P CA 0.831 63.901 63.100 -0.049 0.000 0.843 1390 P CB 0.342 32.018 31.700 -0.041 0.000 0.787 1391 D N -0.979 119.392 120.400 -0.049 0.000 2.218 1391 D HA -0.112 4.538 4.640 0.017 0.000 0.204 1391 D C 1.946 178.223 176.300 -0.038 0.000 0.976 1391 D CA 1.042 55.018 54.000 -0.040 0.000 0.853 1391 D CB -0.460 40.316 40.800 -0.039 0.000 0.939 1391 D HN 0.135 nan 8.370 nan 0.000 0.481 1392 V N 0.791 120.677 119.914 -0.046 0.000 2.379 1392 V HA -0.084 4.047 4.120 0.017 0.000 0.243 1392 V C 2.175 178.259 176.094 -0.017 0.000 1.035 1392 V CA 0.904 63.182 62.300 -0.036 0.000 1.035 1392 V CB -0.539 31.256 31.823 -0.047 0.000 0.673 1392 V HN 0.238 nan 8.190 nan 0.000 0.457 1393 I N -0.931 119.625 120.570 -0.024 0.000 3.111 1393 I HA 0.049 4.230 4.170 0.017 0.000 0.272 1393 I C 1.725 177.832 176.117 -0.017 0.000 1.268 1393 I CA 1.689 62.979 61.300 -0.017 0.000 1.467 1393 I CB -0.910 37.071 38.000 -0.032 0.000 1.087 1393 I HN 0.327 nan 8.210 nan 0.000 0.467 1394 N N 0.800 119.489 118.700 -0.020 0.000 2.398 1394 N HA 0.045 4.795 4.740 0.017 0.000 0.188 1394 N C -0.194 175.307 175.510 -0.015 0.000 1.122 1394 N CA 0.040 53.080 53.050 -0.017 0.000 0.866 1394 N CB 0.248 38.724 38.487 -0.019 0.000 0.970 1394 N HN 0.303 nan 8.380 nan 0.000 0.462 1395 T N 1.228 115.775 114.554 -0.011 0.000 2.814 1395 T HA 0.337 4.697 4.350 0.017 0.000 0.297 1395 T C 0.425 175.120 174.700 -0.008 0.000 0.956 1395 T CA -0.557 61.537 62.100 -0.011 0.000 1.123 1395 T CB 1.180 70.043 68.868 -0.008 0.000 0.902 1395 T HN 0.121 nan 8.240 nan 0.000 0.528 1396 A N 3.529 126.341 122.820 -0.015 0.000 2.386 1396 A HA 0.514 4.844 4.320 0.017 0.000 0.248 1396 A C -0.065 177.507 177.584 -0.020 0.000 1.082 1396 A CA -0.515 51.511 52.037 -0.018 0.000 0.789 1396 A CB 0.082 19.070 19.000 -0.021 0.000 1.025 1396 A HN 0.624 nan 8.150 nan 0.000 0.490 1397 L N 2.827 124.035 121.223 -0.025 0.000 2.357 1397 L HA 0.479 4.829 4.340 0.017 0.000 0.273 1397 L C -1.727 175.118 176.870 -0.041 0.000 1.080 1397 L CA -1.952 52.868 54.840 -0.034 0.000 0.803 1397 L CB 0.795 42.828 42.059 -0.043 0.000 1.174 1397 L HN 0.521 nan 8.230 nan 0.000 0.443 1398 P HA 0.217 nan 4.420 nan 0.000 0.272 1398 P C -1.070 176.208 177.300 -0.037 0.000 1.240 1398 P CA -0.154 62.917 63.100 -0.047 0.000 0.791 1398 P CB 0.744 32.405 31.700 -0.065 0.000 0.978 1399 I N 0.692 121.245 120.570 -0.028 0.000 2.420 1399 I HA 0.283 4.463 4.170 0.017 0.000 0.282 1399 I C 0.495 176.606 176.117 -0.011 0.000 1.019 1399 I CA -0.325 60.962 61.300 -0.022 0.000 1.130 1399 I CB 1.146 39.133 38.000 -0.022 0.000 1.262 1399 I HN 0.193 nan 8.210 nan 0.000 0.454 1400 E N 0.000 120.200 120.200 -0.000 0.000 2.725 1400 E HA 0.000 4.360 4.350 0.017 0.000 0.291 1400 E CA 0.000 56.409 56.400 0.015 0.000 0.976 1400 E CB 0.000 29.732 29.700 0.053 0.000 0.812 1400 E HN 0.000 nan 8.360 nan 0.000 0.440