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 1qs1_1_B DATA FIRST_RESID 1060 DATA SEQUENCE TDKVEDFKED KEKAKEWGKE KEKEWKLTAT EKGKMNNFLD NKNDIKTNYK DATA SEQUENCE EITFSMAGSF EDEIKDLKEI DKMFDKTNLS NSIITYKNVE PTTIGFNKSL DATA SEQUENCE TEGNTINSDA MAQFKEQFLD RDIKFDSYLD THLTAQQVSS KERVILKVTV DATA SEQUENCE PSGKGSTTPT KAGVILNNSE YKMLIDNGYM VHVDKVSKVV KKGVECLQIE DATA SEQUENCE GTLKKSLDFK NDINAEAHSW GMKNYEEWAK DLTDSQREAL DGYARQDYKE DATA SEQUENCE INNYLRNQGG SGNEKLDAQI KNISDALGKK PIPENITVYR WCGMPEFGYQ DATA SEQUENCE ISDPLPSLKD FEEQFLNTIK EDKGYMSTSL SSERLAAFGS RKIILRLQVP DATA SEQUENCE KGSTGAYLSA IGGFASEKEI LLDKDSKYHI DKVTEVIIKG VKRYVVDATL DATA SEQUENCE LT 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 1060 T HA 0.000 nan 4.350 nan 0.000 0.228 1060 T C 0.000 174.690 174.700 -0.016 0.000 1.109 1060 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 1060 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 1061 D N 2.491 122.881 120.400 -0.017 0.000 2.357 1061 D HA 0.211 4.851 4.640 -0.000 0.000 0.242 1061 D C 0.231 176.518 176.300 -0.021 0.000 1.153 1061 D CA -0.198 53.792 54.000 -0.016 0.000 0.918 1061 D CB 0.672 41.464 40.800 -0.014 0.000 1.181 1061 D HN 0.287 nan 8.370 nan 0.000 0.435 1062 K N 0.884 121.274 120.400 -0.016 0.000 2.412 1062 K HA 0.208 4.528 4.320 -0.000 0.000 0.284 1062 K C -0.618 175.965 176.600 -0.028 0.000 1.046 1062 K CA -0.036 56.239 56.287 -0.020 0.000 0.999 1062 K CB 0.438 32.934 32.500 -0.006 0.000 0.941 1062 K HN 0.171 nan 8.250 nan 0.000 0.474 1063 V N 3.234 123.116 119.914 -0.054 0.000 2.888 1063 V HA 0.225 4.345 4.120 -0.000 0.000 0.309 1063 V C -0.230 175.779 176.094 -0.141 0.000 1.114 1063 V CA -1.054 61.199 62.300 -0.079 0.000 0.940 1063 V CB 2.436 34.212 31.823 -0.079 0.000 1.021 1063 V HN 0.578 nan 8.190 nan 0.000 0.426 1064 E N 2.264 122.344 120.200 -0.200 0.000 2.248 1064 E HA 0.578 4.928 4.350 -0.000 0.000 0.272 1064 E C -1.165 175.208 176.600 -0.379 0.000 1.008 1064 E CA -0.387 55.781 56.400 -0.386 0.000 0.856 1064 E CB 2.044 31.416 29.700 -0.546 0.000 1.120 1064 E HN 0.720 nan 8.360 nan 0.000 0.397 1065 D N 1.484 121.582 120.400 -0.503 0.000 2.354 1065 D HA 0.134 4.774 4.640 -0.000 0.000 0.230 1065 D C -0.658 175.430 176.300 -0.353 0.000 1.361 1065 D CA -0.395 53.443 54.000 -0.271 0.000 0.992 1065 D CB -0.201 40.521 40.800 -0.130 0.000 1.409 1065 D HN 0.177 nan 8.370 nan 0.000 0.573 1066 F N 2.797 122.705 119.950 -0.070 0.000 2.780 1066 F HA 0.184 4.710 4.527 -0.000 0.000 0.299 1066 F C 1.965 177.732 175.800 -0.056 0.000 1.146 1066 F CA 0.115 58.070 58.000 -0.074 0.000 1.428 1066 F CB -0.022 38.919 39.000 -0.098 0.000 1.115 1066 F HN 0.282 nan 8.300 nan 0.000 0.583 1067 K N 0.112 120.570 120.400 0.097 0.000 2.554 1067 K HA -0.366 3.953 4.320 -0.000 0.000 0.167 1067 K C 0.874 177.379 176.600 -0.160 0.000 0.814 1067 K CA 2.243 58.513 56.287 -0.027 0.000 0.416 1067 K CB -1.073 31.426 32.500 -0.001 0.000 0.752 1067 K HN 0.285 nan 8.250 nan 0.000 0.770 1068 E N 0.975 121.123 120.200 -0.086 0.000 2.538 1068 E HA 0.033 4.383 4.350 -0.000 0.000 0.207 1068 E C -0.580 176.000 176.600 -0.033 0.000 1.002 1068 E CA -0.120 56.222 56.400 -0.097 0.000 0.952 1068 E CB 0.399 30.047 29.700 -0.087 0.000 1.031 1068 E HN 0.229 nan 8.360 nan 0.000 0.476 1069 D N 1.855 122.271 120.400 0.026 0.000 2.551 1069 D HA 0.023 4.663 4.640 -0.000 0.000 0.223 1069 D C 0.737 177.055 176.300 0.029 0.000 1.144 1069 D CA 0.188 54.219 54.000 0.053 0.000 1.025 1069 D CB 0.285 41.157 40.800 0.120 0.000 1.085 1069 D HN 0.008 nan 8.370 nan 0.000 0.506 1070 K N 1.213 121.607 120.400 -0.009 0.000 2.103 1070 K HA -0.152 4.167 4.320 -0.000 0.000 0.207 1070 K C 1.546 178.125 176.600 -0.035 0.000 1.048 1070 K CA 0.838 57.109 56.287 -0.026 0.000 0.930 1070 K CB 0.349 32.839 32.500 -0.016 0.000 0.716 1070 K HN 0.277 nan 8.250 nan 0.000 0.444 1071 E N 1.219 121.411 120.200 -0.014 0.000 2.051 1071 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 1071 E C 1.848 178.425 176.600 -0.038 0.000 0.991 1071 E CA 1.278 57.671 56.400 -0.013 0.000 0.799 1071 E CB -0.058 29.645 29.700 0.006 0.000 0.748 1071 E HN 0.293 nan 8.360 nan 0.000 0.449 1072 K N 0.466 120.855 120.400 -0.019 0.000 2.097 1072 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 1072 K C 2.112 178.501 176.600 -0.352 0.000 1.050 1072 K CA 0.999 57.278 56.287 -0.014 0.000 0.938 1072 K CB -0.082 32.549 32.500 0.218 0.000 0.718 1072 K HN 0.041 nan 8.250 nan 0.000 0.442 1073 A N 1.805 124.277 122.820 -0.580 0.000 1.930 1073 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 1073 A C 2.032 179.386 177.584 -0.384 0.000 1.175 1073 A CA 1.484 52.941 52.037 -0.966 0.000 0.627 1073 A CB -0.305 18.367 19.000 -0.546 0.000 0.815 1073 A HN 0.211 nan 8.150 nan 0.000 0.443 1074 K N -0.096 120.191 120.400 -0.188 0.000 2.057 1074 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 1074 K C 1.888 178.350 176.600 -0.229 0.000 1.049 1074 K CA 1.683 57.914 56.287 -0.093 0.000 0.931 1074 K CB -0.186 32.323 32.500 0.016 0.000 0.714 1074 K HN 0.614 nan 8.250 nan 0.000 0.440 1075 E N -0.648 119.459 120.200 -0.155 0.000 2.077 1075 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 1075 E C 1.672 178.190 176.600 -0.136 0.000 0.989 1075 E CA 1.291 57.613 56.400 -0.130 0.000 0.800 1075 E CB -0.193 29.484 29.700 -0.038 0.000 0.746 1075 E HN 0.469 nan 8.360 nan 0.000 0.452 1076 W N 1.213 122.327 121.300 -0.310 0.000 2.381 1076 W HA -0.080 4.580 4.660 -0.000 0.000 0.301 1076 W C 2.233 178.584 176.519 -0.279 0.000 1.205 1076 W CA 1.901 59.109 57.345 -0.227 0.000 1.285 1076 W CB -0.475 28.836 29.460 -0.248 0.000 1.133 1076 W HN 0.010 nan 8.180 nan 0.000 0.521 1077 G N 0.279 108.982 108.800 -0.162 0.000 2.422 1077 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 1077 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 1077 G C 1.512 175.879 174.900 -0.888 0.000 1.146 1077 G CA 1.153 46.009 45.100 -0.406 0.000 0.769 1077 G HN 0.304 nan 8.290 nan 0.000 0.547 1078 K N 0.995 120.725 120.400 -1.117 0.000 2.097 1078 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 1078 K C 2.510 178.893 176.600 -0.363 0.000 1.049 1078 K CA 1.758 57.572 56.287 -0.788 0.000 0.933 1078 K CB -0.149 32.076 32.500 -0.458 0.000 0.717 1078 K HN 0.624 nan 8.250 nan 0.000 0.442 1079 E N 0.029 120.009 120.200 -0.367 0.000 2.072 1079 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 1079 E C 1.549 177.957 176.600 -0.321 0.000 0.982 1079 E CA 0.711 56.938 56.400 -0.289 0.000 0.803 1079 E CB 0.007 29.537 29.700 -0.283 0.000 0.755 1079 E HN 0.025 nan 8.360 nan 0.000 0.453 1080 K N 0.888 120.992 120.400 -0.494 0.000 2.217 1080 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 1080 K C 1.977 178.461 176.600 -0.192 0.000 1.051 1080 K CA 0.868 56.883 56.287 -0.454 0.000 0.952 1080 K CB -0.155 31.850 32.500 -0.826 0.000 0.736 1080 K HN 0.267 nan 8.250 nan 0.000 0.453 1081 E N 2.063 122.200 120.200 -0.104 0.000 2.209 1081 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 1081 E C 1.072 177.704 176.600 0.053 0.000 0.993 1081 E CA 1.159 57.602 56.400 0.072 0.000 0.819 1081 E CB 0.198 30.038 29.700 0.232 0.000 0.745 1081 E HN 0.302 nan 8.360 nan 0.000 0.477 1082 K N 0.011 120.407 120.400 -0.007 0.000 2.305 1082 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 1082 K C 1.986 178.594 176.600 0.013 0.000 1.047 1082 K CA 0.651 56.937 56.287 -0.002 0.000 0.976 1082 K CB 0.105 32.587 32.500 -0.029 0.000 0.765 1082 K HN 0.155 nan 8.250 nan 0.000 0.474 1083 E N 0.067 120.268 120.200 0.003 0.000 2.208 1083 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 1083 E C 1.480 178.140 176.600 0.100 0.000 0.988 1083 E CA 0.470 56.879 56.400 0.015 0.000 0.828 1083 E CB -0.002 29.671 29.700 -0.044 0.000 0.763 1083 E HN 0.380 nan 8.360 nan 0.000 0.478 1084 W N 1.605 122.858 121.300 -0.079 0.000 2.402 1084 W HA -0.104 4.556 4.660 -0.001 0.000 0.286 1084 W C 0.341 176.813 176.519 -0.078 0.000 1.221 1084 W CA 1.225 58.519 57.345 -0.084 0.000 1.257 1084 W CB 0.139 29.534 29.460 -0.109 0.000 1.120 1084 W HN -0.071 nan 8.180 nan 0.000 0.551 1085 K N -0.349 120.139 120.400 0.147 0.000 3.117 1085 K HA -0.233 4.087 4.320 -0.000 0.000 0.269 1085 K C 0.169 176.733 176.600 -0.060 0.000 1.098 1085 K CA 0.323 56.628 56.287 0.030 0.000 0.785 1085 K CB -2.110 30.416 32.500 0.044 0.000 1.242 1085 K HN 0.133 nan 8.250 nan 0.000 0.491 1086 L N 1.018 122.120 121.223 -0.200 0.000 2.467 1086 L HA 0.087 4.427 4.340 -0.000 0.000 0.270 1086 L C 1.634 178.384 176.870 -0.200 0.000 1.205 1086 L CA 0.145 54.788 54.840 -0.328 0.000 0.828 1086 L CB 0.345 42.046 42.059 -0.596 0.000 1.101 1086 L HN 0.248 nan 8.230 nan 0.000 0.479 1087 T N -1.198 113.251 114.554 -0.174 0.000 2.816 1087 T HA 0.345 4.694 4.350 -0.000 0.000 0.282 1087 T C 1.120 175.743 174.700 -0.129 0.000 0.993 1087 T CA -0.214 61.814 62.100 -0.120 0.000 0.994 1087 T CB 1.370 70.183 68.868 -0.092 0.000 1.025 1087 T HN 0.636 nan 8.240 nan 0.000 0.529 1088 A N 0.767 123.530 122.820 -0.094 0.000 1.933 1088 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 1088 A C 2.465 179.993 177.584 -0.093 0.000 1.175 1088 A CA 2.093 54.077 52.037 -0.089 0.000 0.628 1088 A CB -1.747 17.215 19.000 -0.063 0.000 0.814 1088 A HN 0.915 nan 8.150 nan 0.000 0.444 1089 T N -0.059 114.444 114.554 -0.085 0.000 2.777 1089 T HA -0.116 4.233 4.350 -0.000 0.000 0.266 1089 T C 1.763 176.400 174.700 -0.104 0.000 1.040 1089 T CA 1.610 63.663 62.100 -0.077 0.000 1.141 1089 T CB -0.235 68.597 68.868 -0.060 0.000 0.868 1089 T HN 0.670 nan 8.240 nan 0.000 0.444 1090 E N 1.061 121.178 120.200 -0.140 0.000 2.077 1090 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 1090 E C 2.320 178.777 176.600 -0.240 0.000 0.989 1090 E CA 0.922 57.204 56.400 -0.196 0.000 0.800 1090 E CB -0.085 29.463 29.700 -0.254 0.000 0.746 1090 E HN 0.436 nan 8.360 nan 0.000 0.452 1091 K N 0.261 120.516 120.400 -0.241 0.000 2.103 1091 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 1091 K C 2.237 178.740 176.600 -0.162 0.000 1.048 1091 K CA 1.111 57.255 56.287 -0.239 0.000 0.930 1091 K CB -0.263 32.117 32.500 -0.199 0.000 0.716 1091 K HN 0.160 nan 8.250 nan 0.000 0.444 1092 G N 1.878 110.605 108.800 -0.121 0.000 2.421 1092 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 1092 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 1092 G C 1.291 176.155 174.900 -0.060 0.000 1.171 1092 G CA 0.668 45.720 45.100 -0.079 0.000 0.775 1092 G HN 0.216 nan 8.290 nan 0.000 0.543 1093 K N -0.743 119.616 120.400 -0.068 0.000 2.097 1093 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 1093 K C 2.416 179.003 176.600 -0.021 0.000 1.050 1093 K CA 1.267 57.534 56.287 -0.033 0.000 0.938 1093 K CB -0.210 32.265 32.500 -0.043 0.000 0.718 1093 K HN 0.264 nan 8.250 nan 0.000 0.442 1094 M N 1.733 121.273 119.600 -0.099 0.000 2.117 1094 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 1094 M C 1.407 177.706 176.300 -0.002 0.000 1.065 1094 M CA 1.602 56.842 55.300 -0.099 0.000 1.114 1094 M CB -0.194 32.251 32.600 -0.260 0.000 1.361 1094 M HN 0.032 nan 8.290 nan 0.000 0.408 1095 N N 0.240 118.915 118.700 -0.043 0.000 2.244 1095 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 1095 N C 1.320 176.834 175.510 0.006 0.000 1.016 1095 N CA 1.390 54.425 53.050 -0.024 0.000 0.866 1095 N CB -0.631 37.822 38.487 -0.055 0.000 0.980 1095 N HN 0.617 nan 8.380 nan 0.000 0.430 1096 N N -0.045 118.668 118.700 0.022 0.000 2.166 1096 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 1096 N C 1.551 177.094 175.510 0.056 0.000 1.019 1096 N CA 0.595 53.664 53.050 0.032 0.000 0.856 1096 N CB -0.149 38.364 38.487 0.043 0.000 0.993 1096 N HN 0.115 nan 8.380 nan 0.000 0.426 1097 F N 1.956 121.893 119.950 -0.023 0.000 2.084 1097 F HA -0.045 4.482 4.527 -0.000 0.000 0.296 1097 F C 1.901 177.697 175.800 -0.007 0.000 1.111 1097 F CA 1.150 59.146 58.000 -0.006 0.000 1.224 1097 F CB -0.342 38.644 39.000 -0.024 0.000 0.991 1097 F HN -0.072 nan 8.300 nan 0.000 0.471 1098 L N -0.033 121.216 121.223 0.043 0.000 2.127 1098 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 1098 L C 1.328 178.135 176.870 -0.104 0.000 1.089 1098 L CA 1.321 56.137 54.840 -0.039 0.000 0.757 1098 L CB -0.725 41.362 42.059 0.045 0.000 0.899 1098 L HN 0.139 nan 8.230 nan 0.000 0.434 1099 D N -0.451 119.901 120.400 -0.080 0.000 2.328 1099 D HA -0.051 4.589 4.640 -0.000 0.000 0.226 1099 D C 0.478 176.725 176.300 -0.089 0.000 1.066 1099 D CA 0.168 54.128 54.000 -0.067 0.000 0.861 1099 D CB -0.203 40.574 40.800 -0.038 0.000 0.912 1099 D HN 0.191 nan 8.370 nan 0.000 0.521 1100 N N 1.412 120.014 118.700 -0.163 0.000 2.740 1100 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 1100 N C -0.906 174.561 175.510 -0.071 0.000 1.062 1100 N CA 0.365 53.318 53.050 -0.162 0.000 0.704 1100 N CB -0.677 37.735 38.487 -0.124 0.000 0.968 1100 N HN -0.041 nan 8.380 nan 0.000 0.547 1101 K N 1.592 121.966 120.400 -0.044 0.000 2.447 1101 K HA 0.068 4.388 4.320 -0.000 0.000 0.281 1101 K C 0.870 177.484 176.600 0.022 0.000 1.031 1101 K CA 0.059 56.344 56.287 -0.003 0.000 1.019 1101 K CB 0.064 32.571 32.500 0.011 0.000 0.918 1101 K HN 0.392 nan 8.250 nan 0.000 0.476 1102 N N 2.606 121.322 118.700 0.028 0.000 2.741 1102 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 1102 N C -0.842 174.708 175.510 0.066 0.000 1.115 1102 N CA 1.064 54.145 53.050 0.050 0.000 0.724 1102 N CB -0.740 37.786 38.487 0.066 0.000 1.090 1102 N HN 0.676 nan 8.380 nan 0.000 0.558 1103 D N -1.419 119.004 120.400 0.039 0.000 3.012 1103 D HA -0.217 4.422 4.640 -0.000 0.000 0.222 1103 D C 1.099 177.432 176.300 0.055 0.000 1.167 1103 D CA 1.018 55.044 54.000 0.042 0.000 0.854 1103 D CB -1.298 39.547 40.800 0.074 0.000 1.107 1103 D HN 0.685 nan 8.370 nan 0.000 0.421 1104 I N 0.002 120.603 120.570 0.050 0.000 2.361 1104 I HA -0.240 3.929 4.170 -0.000 0.000 0.251 1104 I C 2.256 178.404 176.117 0.052 0.000 1.133 1104 I CA 1.484 62.849 61.300 0.108 0.000 1.413 1104 I CB 0.074 38.185 38.000 0.185 0.000 1.073 1104 I HN 0.031 nan 8.210 nan 0.000 0.424 1105 K N -0.195 120.079 120.400 -0.211 0.000 2.062 1105 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 1105 K C 1.932 178.506 176.600 -0.044 0.000 1.051 1105 K CA 1.730 57.796 56.287 -0.368 0.000 0.941 1105 K CB -0.030 32.103 32.500 -0.612 0.000 0.719 1105 K HN 0.236 nan 8.250 nan 0.000 0.440 1106 T N 1.035 115.575 114.554 -0.023 0.000 2.788 1106 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 1106 T C 1.150 175.889 174.700 0.064 0.000 1.044 1106 T CA 1.689 63.808 62.100 0.031 0.000 1.139 1106 T CB -0.248 68.638 68.868 0.030 0.000 0.867 1106 T HN 0.425 nan 8.240 nan 0.000 0.454 1107 N N -0.409 118.325 118.700 0.058 0.000 2.336 1107 N HA 0.089 4.829 4.740 -0.000 0.000 0.189 1107 N C 1.219 176.694 175.510 -0.059 0.000 1.113 1107 N CA -0.158 52.882 53.050 -0.017 0.000 0.858 1107 N CB -0.017 38.434 38.487 -0.060 0.000 0.970 1107 N HN 0.312 nan 8.380 nan 0.000 0.471 1108 Y N 2.601 122.892 120.300 -0.016 0.000 2.114 1108 Y HA -0.316 4.233 4.550 -0.000 0.000 0.282 1108 Y C 2.357 178.247 175.900 -0.017 0.000 1.165 1108 Y CA 1.733 59.856 58.100 0.038 0.000 1.148 1108 Y CB -0.076 38.519 38.460 0.225 0.000 0.972 1108 Y HN -0.110 nan 8.280 nan 0.000 0.504 1109 K N 0.267 120.686 120.400 0.032 0.000 2.009 1109 K HA -0.303 4.017 4.320 -0.000 0.000 0.210 1109 K C 2.282 178.883 176.600 0.002 0.000 1.049 1109 K CA 2.011 58.304 56.287 0.010 0.000 0.929 1109 K CB -0.408 32.190 32.500 0.162 0.000 0.714 1109 K HN 0.578 nan 8.250 nan 0.000 0.440 1110 E N 0.652 120.846 120.200 -0.011 0.000 2.085 1110 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 1110 E C 1.988 178.506 176.600 -0.138 0.000 0.994 1110 E CA 1.554 57.956 56.400 0.004 0.000 0.801 1110 E CB -0.170 29.514 29.700 -0.026 0.000 0.743 1110 E HN 0.406 nan 8.360 nan 0.000 0.453 1111 I N 1.448 121.768 120.570 -0.418 0.000 2.208 1111 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 1111 I C 2.708 178.625 176.117 -0.333 0.000 1.097 1111 I CA 1.792 62.805 61.300 -0.478 0.000 1.363 1111 I CB -0.653 37.025 38.000 -0.536 0.000 1.051 1111 I HN 0.349 nan 8.210 nan 0.000 0.413 1112 T N -2.001 112.250 114.554 -0.505 0.000 3.051 1112 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 1112 T C 1.017 175.351 174.700 -0.610 0.000 1.127 1112 T CA 0.924 62.649 62.100 -0.625 0.000 1.107 1112 T CB -0.502 67.829 68.868 -0.894 0.000 0.898 1112 T HN 0.288 nan 8.240 nan 0.000 0.517 1113 F N 1.414 121.317 119.950 -0.079 0.000 2.735 1113 F HA 0.468 4.995 4.527 -0.001 0.000 0.304 1113 F C 0.836 176.761 175.800 0.208 0.000 1.119 1113 F CA -0.950 57.118 58.000 0.113 0.000 1.280 1113 F CB 0.566 39.622 39.000 0.093 0.000 0.994 1113 F HN 0.031 nan 8.300 nan 0.000 0.520 1114 S N 0.788 116.605 115.700 0.195 0.000 2.672 1114 S HA 0.487 4.956 4.470 -0.000 0.000 0.276 1114 S C 0.209 174.868 174.600 0.098 0.000 1.207 1114 S CA -0.638 57.666 58.200 0.174 0.000 1.002 1114 S CB 1.173 64.484 63.200 0.186 0.000 0.998 1114 S HN 0.094 nan 8.310 nan 0.000 0.542 1115 M N 1.926 121.563 119.600 0.062 0.000 2.241 1115 M HA 0.304 4.784 4.480 -0.000 0.000 0.335 1115 M C 0.535 176.841 176.300 0.012 0.000 1.122 1115 M CA -0.485 54.807 55.300 -0.013 0.000 1.164 1115 M CB 0.371 32.943 32.600 -0.047 0.000 1.459 1115 M HN 0.745 nan 8.290 nan 0.000 0.461 1116 A N 1.473 124.282 122.820 -0.019 0.000 2.540 1116 A HA 0.414 4.734 4.320 -0.000 0.000 0.239 1116 A C 1.169 178.757 177.584 0.007 0.000 1.061 1116 A CA 0.699 52.734 52.037 -0.003 0.000 0.758 1116 A CB -0.624 18.363 19.000 -0.022 0.000 0.991 1116 A HN 1.196 nan 8.150 nan 0.000 0.502 1117 G N 0.681 109.497 108.800 0.025 0.000 2.213 1117 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.236 1117 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.236 1117 G C 0.659 175.578 174.900 0.032 0.000 0.991 1117 G CA 0.598 45.710 45.100 0.021 0.000 0.629 1117 G HN 1.662 nan 8.290 nan 0.000 0.517 1118 S N -0.568 115.176 115.700 0.074 0.000 2.586 1118 S HA 0.586 5.056 4.470 -0.000 0.000 0.274 1118 S C 0.748 175.494 174.600 0.243 0.000 1.281 1118 S CA 0.361 58.621 58.200 0.101 0.000 1.035 1118 S CB -0.077 63.242 63.200 0.198 0.000 0.962 1118 S HN 1.249 nan 8.310 nan 0.000 0.512 1119 F N 1.183 121.149 119.950 0.026 0.000 3.004 1119 F HA -0.217 4.310 4.527 -0.000 0.000 0.264 1119 F C 1.477 177.300 175.800 0.038 0.000 0.979 1119 F CA 1.059 59.081 58.000 0.037 0.000 0.896 1119 F CB -1.962 37.067 39.000 0.047 0.000 0.813 1119 F HN 0.855 nan 8.300 nan 0.000 0.804 1120 E N -0.513 119.760 120.200 0.121 0.000 2.085 1120 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 1120 E C 1.388 178.048 176.600 0.099 0.000 0.994 1120 E CA 1.820 58.276 56.400 0.093 0.000 0.801 1120 E CB -0.167 29.560 29.700 0.045 0.000 0.743 1120 E HN 0.508 nan 8.360 nan 0.000 0.453 1121 D N 1.162 121.619 120.400 0.096 0.000 2.117 1121 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 1121 D C 1.842 178.217 176.300 0.126 0.000 0.987 1121 D CA 1.373 55.428 54.000 0.093 0.000 0.829 1121 D CB -0.162 40.684 40.800 0.078 0.000 0.961 1121 D HN 0.274 nan 8.370 nan 0.000 0.460 1122 E N 0.542 120.851 120.200 0.181 0.000 2.072 1122 E HA -0.083 4.266 4.350 -0.000 0.000 0.191 1122 E C 2.204 178.908 176.600 0.173 0.000 0.985 1122 E CA 0.262 56.784 56.400 0.203 0.000 0.801 1122 E CB -0.132 29.727 29.700 0.264 0.000 0.750 1122 E HN 0.198 nan 8.360 nan 0.000 0.452 1123 I N 1.230 121.896 120.570 0.160 0.000 2.264 1123 I HA -0.286 3.883 4.170 -0.000 0.000 0.248 1123 I C 2.229 178.407 176.117 0.101 0.000 1.111 1123 I CA 1.394 62.767 61.300 0.122 0.000 1.382 1123 I CB -0.827 37.236 38.000 0.106 0.000 1.060 1123 I HN 0.163 nan 8.210 nan 0.000 0.418 1124 K N 0.862 121.318 120.400 0.092 0.000 2.063 1124 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 1124 K C 1.635 178.276 176.600 0.070 0.000 1.048 1124 K CA 2.048 58.378 56.287 0.071 0.000 0.928 1124 K CB 0.012 32.549 32.500 0.061 0.000 0.713 1124 K HN 0.185 nan 8.250 nan 0.000 0.442 1125 D N 0.346 120.797 120.400 0.085 0.000 2.123 1125 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 1125 D C 1.800 178.145 176.300 0.075 0.000 0.976 1125 D CA 0.795 54.841 54.000 0.077 0.000 0.831 1125 D CB 0.066 40.927 40.800 0.102 0.000 0.974 1125 D HN 0.158 nan 8.370 nan 0.000 0.469 1126 L N 0.434 121.723 121.223 0.110 0.000 2.131 1126 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 1126 L C 2.149 179.082 176.870 0.106 0.000 1.092 1126 L CA 1.023 55.933 54.840 0.117 0.000 0.759 1126 L CB -0.279 41.890 42.059 0.183 0.000 0.903 1126 L HN 0.012 nan 8.230 nan 0.000 0.435 1127 K N -0.242 120.212 120.400 0.090 0.000 2.057 1127 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 1127 K C 2.049 178.693 176.600 0.073 0.000 1.049 1127 K CA 1.056 57.394 56.287 0.084 0.000 0.931 1127 K CB -0.027 32.515 32.500 0.070 0.000 0.714 1127 K HN 0.251 nan 8.250 nan 0.000 0.440 1128 E N 0.913 121.143 120.200 0.049 0.000 2.106 1128 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 1128 E C 2.083 178.686 176.600 0.005 0.000 0.984 1128 E CA 0.917 57.329 56.400 0.021 0.000 0.806 1128 E CB -0.187 29.512 29.700 -0.002 0.000 0.750 1128 E HN 0.359 nan 8.360 nan 0.000 0.458 1129 I N 1.425 121.994 120.570 -0.001 0.000 2.226 1129 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 1129 I C 2.312 178.503 176.117 0.125 0.000 1.100 1129 I CA 1.357 62.630 61.300 -0.044 0.000 1.374 1129 I CB -0.236 37.678 38.000 -0.142 0.000 1.057 1129 I HN 0.025 nan 8.210 nan 0.000 0.413 1130 D N 1.281 121.799 120.400 0.197 0.000 2.123 1130 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 1130 D C 2.111 178.576 176.300 0.275 0.000 0.992 1130 D CA 1.580 55.756 54.000 0.294 0.000 0.833 1130 D CB 0.050 40.969 40.800 0.198 0.000 0.954 1130 D HN 0.154 nan 8.370 nan 0.000 0.455 1131 K N -0.601 119.898 120.400 0.164 0.000 2.211 1131 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 1131 K C 2.237 178.914 176.600 0.128 0.000 1.050 1131 K CA 0.899 57.265 56.287 0.133 0.000 0.945 1131 K CB -0.112 32.436 32.500 0.080 0.000 0.732 1131 K HN 0.311 nan 8.250 nan 0.000 0.451 1132 M N -0.295 119.346 119.600 0.068 0.000 2.213 1132 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 1132 M C 1.237 177.640 176.300 0.171 0.000 1.062 1132 M CA 1.540 56.831 55.300 -0.015 0.000 1.105 1132 M CB -0.288 32.132 32.600 -0.300 0.000 1.385 1132 M HN 0.036 nan 8.290 nan 0.000 0.417 1133 F N 0.616 120.734 119.950 0.279 0.000 2.771 1133 F HA -0.105 4.422 4.527 -0.001 0.000 0.299 1133 F C 1.524 177.408 175.800 0.140 0.000 1.177 1133 F CA 0.602 58.749 58.000 0.244 0.000 1.450 1133 F CB -0.373 38.727 39.000 0.166 0.000 1.114 1133 F HN 0.154 nan 8.300 nan 0.000 0.587 1134 D N 0.120 120.676 120.400 0.260 0.000 2.349 1134 D HA -0.039 4.600 4.640 -0.000 0.000 0.215 1134 D C 1.599 177.981 176.300 0.137 0.000 1.016 1134 D CA 0.524 54.627 54.000 0.171 0.000 0.870 1134 D CB -0.046 40.838 40.800 0.139 0.000 0.917 1134 D HN 0.446 nan 8.370 nan 0.000 0.524 1135 K N 0.664 121.174 120.400 0.182 0.000 2.414 1135 K HA 0.093 4.413 4.320 -0.000 0.000 0.204 1135 K C 0.455 177.131 176.600 0.127 0.000 1.026 1135 K CA -0.257 56.133 56.287 0.172 0.000 1.108 1135 K CB 0.098 32.719 32.500 0.202 0.000 0.855 1135 K HN -0.133 nan 8.250 nan 0.000 0.517 1136 T N -0.002 114.505 114.554 -0.079 0.000 2.856 1136 T HA 0.090 4.439 4.350 -0.000 0.000 0.306 1136 T C 0.057 174.637 174.700 -0.199 0.000 1.062 1136 T CA -0.413 61.419 62.100 -0.447 0.000 1.083 1136 T CB 0.786 69.330 68.868 -0.540 0.000 0.984 1136 T HN 0.300 nan 8.240 nan 0.000 0.542 1137 N N 0.667 119.236 118.700 -0.218 0.000 2.679 1137 N HA 0.169 4.908 4.740 -0.000 0.000 0.240 1137 N C -1.359 174.085 175.510 -0.110 0.000 1.537 1137 N CA -0.487 52.498 53.050 -0.107 0.000 0.793 1137 N CB -0.036 38.423 38.487 -0.047 0.000 1.391 1137 N HN 0.639 nan 8.380 nan 0.000 0.524 1138 L N 1.789 122.933 121.223 -0.131 0.000 2.562 1138 L HA 0.199 4.539 4.340 -0.000 0.000 0.271 1138 L C 1.386 178.233 176.870 -0.038 0.000 1.167 1138 L CA 0.719 55.504 54.840 -0.091 0.000 0.917 1138 L CB 0.419 42.427 42.059 -0.086 0.000 1.187 1138 L HN 0.514 nan 8.230 nan 0.000 0.482 1139 S N 2.357 118.039 115.700 -0.030 0.000 2.478 1139 S HA 0.181 4.651 4.470 -0.000 0.000 0.222 1139 S C 0.431 175.064 174.600 0.055 0.000 1.008 1139 S CA 0.033 58.230 58.200 -0.004 0.000 0.928 1139 S CB -0.222 62.957 63.200 -0.035 0.000 0.781 1139 S HN 0.748 nan 8.310 nan 0.000 0.518 1140 N N 0.078 118.854 118.700 0.127 0.000 2.396 1140 N HA 0.494 5.234 4.740 -0.000 0.000 0.275 1140 N C -1.685 173.934 175.510 0.182 0.000 1.218 1140 N CA -0.505 52.656 53.050 0.186 0.000 0.812 1140 N CB 2.058 40.736 38.487 0.320 0.000 1.592 1140 N HN -0.024 nan 8.380 nan 0.000 0.480 1141 S N 0.808 116.565 115.700 0.096 0.000 2.580 1141 S HA 0.598 5.068 4.470 -0.000 0.000 0.274 1141 S C -0.345 174.259 174.600 0.006 0.000 1.329 1141 S CA -0.405 57.818 58.200 0.037 0.000 1.036 1141 S CB 0.151 63.349 63.200 -0.002 0.000 0.919 1141 S HN 0.482 nan 8.310 nan 0.000 0.515 1142 I N 1.531 122.080 120.570 -0.036 0.000 2.908 1142 I HA 0.449 4.619 4.170 -0.000 0.000 0.300 1142 I C -1.781 174.271 176.117 -0.109 0.000 1.385 1142 I CA -0.900 60.328 61.300 -0.119 0.000 1.004 1142 I CB 1.329 39.205 38.000 -0.208 0.000 1.309 1142 I HN 0.555 nan 8.210 nan 0.000 0.449 1143 I N 5.237 125.728 120.570 -0.132 0.000 2.342 1143 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 1143 I C 0.197 176.221 176.117 -0.155 0.000 1.010 1143 I CA -0.144 61.053 61.300 -0.170 0.000 1.308 1143 I CB 1.615 39.493 38.000 -0.204 0.000 1.400 1143 I HN 0.601 nan 8.210 nan 0.000 0.488 1144 T N 2.574 117.011 114.554 -0.195 0.000 2.949 1144 T HA 0.630 4.979 4.350 -0.000 0.000 0.287 1144 T C -0.864 173.701 174.700 -0.225 0.000 1.034 1144 T CA -0.672 61.395 62.100 -0.056 0.000 1.018 1144 T CB 1.620 70.494 68.868 0.010 0.000 1.135 1144 T HN 0.251 nan 8.240 nan 0.000 0.532 1145 Y N -0.368 119.975 120.300 0.073 0.000 2.499 1145 Y HA 0.759 5.309 4.550 -0.000 0.000 0.347 1145 Y C 0.148 176.135 175.900 0.146 0.000 0.987 1145 Y CA -1.094 57.055 58.100 0.081 0.000 1.044 1145 Y CB 2.412 40.911 38.460 0.064 0.000 1.245 1145 Y HN 0.825 nan 8.280 nan 0.000 0.461 1146 K N 2.346 122.894 120.400 0.246 0.000 2.571 1146 K HA 0.378 4.698 4.320 -0.000 0.000 0.252 1146 K C -1.960 174.726 176.600 0.143 0.000 0.956 1146 K CA -0.669 55.753 56.287 0.225 0.000 0.822 1146 K CB 0.995 33.587 32.500 0.153 0.000 1.286 1146 K HN 0.693 nan 8.250 nan 0.000 0.439 1147 N N 2.571 121.339 118.700 0.113 0.000 2.438 1147 N HA 0.361 5.101 4.740 -0.000 0.000 0.282 1147 N C -0.669 174.888 175.510 0.079 0.000 1.037 1147 N CA -0.438 52.654 53.050 0.070 0.000 0.942 1147 N CB 1.810 40.315 38.487 0.031 0.000 1.136 1147 N HN 0.414 nan 8.380 nan 0.000 0.481 1148 V N -1.306 118.652 119.914 0.073 0.000 3.040 1148 V HA 0.538 4.657 4.120 -0.000 0.000 0.312 1148 V C 0.002 176.137 176.094 0.069 0.000 1.115 1148 V CA -1.012 61.341 62.300 0.088 0.000 0.998 1148 V CB 2.448 34.350 31.823 0.133 0.000 1.042 1148 V HN 0.410 nan 8.190 nan 0.000 0.433 1149 E N 3.773 124.019 120.200 0.077 0.000 2.338 1149 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 1149 E C -1.738 174.923 176.600 0.102 0.000 1.029 1149 E CA -2.076 54.369 56.400 0.075 0.000 0.872 1149 E CB 1.919 31.662 29.700 0.071 0.000 1.015 1149 E HN 0.633 nan 8.360 nan 0.000 0.417 1150 P HA -0.203 nan 4.420 nan 0.000 0.216 1150 P C 1.142 178.583 177.300 0.235 0.000 1.150 1150 P CA 1.956 65.193 63.100 0.229 0.000 0.843 1150 P CB -0.082 31.830 31.700 0.354 0.000 0.787 1151 T N -2.674 111.973 114.554 0.155 0.000 2.962 1151 T HA -0.119 4.230 4.350 -0.000 0.000 0.270 1151 T C 1.835 176.589 174.700 0.090 0.000 1.088 1151 T CA 1.994 64.159 62.100 0.108 0.000 1.127 1151 T CB -1.800 67.100 68.868 0.053 0.000 0.883 1151 T HN 0.274 nan 8.240 nan 0.000 0.493 1152 T N 1.544 116.155 114.554 0.095 0.000 2.881 1152 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 1152 T C 1.689 176.424 174.700 0.059 0.000 1.068 1152 T CA 0.978 63.131 62.100 0.088 0.000 1.131 1152 T CB -0.928 68.009 68.868 0.115 0.000 0.871 1152 T HN 0.810 nan 8.240 nan 0.000 0.479 1153 I N -2.681 117.918 120.570 0.048 0.000 3.889 1153 I HA 0.699 4.868 4.170 -0.000 0.000 0.332 1153 I C 1.268 177.430 176.117 0.076 0.000 1.493 1153 I CA -0.299 60.961 61.300 -0.068 0.000 1.158 1153 I CB -0.361 37.520 38.000 -0.200 0.000 1.117 1153 I HN 0.278 nan 8.210 nan 0.000 0.411 1154 G N 1.709 110.589 108.800 0.134 0.000 2.143 1154 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 1154 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 1154 G C -0.168 174.938 174.900 0.342 0.000 0.991 1154 G CA 0.059 45.271 45.100 0.187 0.000 0.689 1154 G HN 0.482 nan 8.290 nan 0.000 0.522 1155 F N 1.930 122.031 119.950 0.251 0.000 2.350 1155 F HA 0.560 5.086 4.527 -0.000 0.000 0.365 1155 F C 0.642 176.542 175.800 0.166 0.000 1.122 1155 F CA -1.741 56.442 58.000 0.304 0.000 1.139 1155 F CB 0.597 39.892 39.000 0.492 0.000 1.220 1155 F HN -0.020 nan 8.300 nan 0.000 0.499 1156 N N 5.305 123.828 118.700 -0.294 0.000 2.251 1156 N HA 0.075 4.814 4.740 -0.000 0.000 0.217 1156 N C -0.373 174.912 175.510 -0.374 0.000 1.124 1156 N CA 0.114 53.009 53.050 -0.259 0.000 0.843 1156 N CB 0.344 38.739 38.487 -0.153 0.000 1.024 1156 N HN 0.551 nan 8.380 nan 0.000 0.501 1157 K N 0.027 119.972 120.400 -0.758 0.000 2.238 1157 K HA 0.283 4.603 4.320 -0.000 0.000 0.239 1157 K C -0.004 176.444 176.600 -0.255 0.000 0.987 1157 K CA -0.633 55.359 56.287 -0.492 0.000 0.857 1157 K CB 1.684 33.866 32.500 -0.531 0.000 1.154 1157 K HN -0.211 nan 8.250 nan 0.000 0.439 1158 S N 1.575 117.236 115.700 -0.065 0.000 2.506 1158 S HA -0.002 4.468 4.470 -0.000 0.000 0.291 1158 S C 0.771 175.462 174.600 0.151 0.000 1.230 1158 S CA -0.395 57.828 58.200 0.039 0.000 1.107 1158 S CB 0.020 63.239 63.200 0.032 0.000 0.942 1158 S HN 0.544 nan 8.310 nan 0.000 0.502 1159 L N 6.035 127.382 121.223 0.208 0.000 2.202 1159 L HA 0.269 4.609 4.340 -0.000 0.000 0.205 1159 L C 1.187 178.122 176.870 0.108 0.000 1.083 1159 L CA 1.549 56.536 54.840 0.244 0.000 0.790 1159 L CB -0.318 41.880 42.059 0.232 0.000 0.942 1159 L HN 0.848 nan 8.230 nan 0.000 0.452 1160 T N -2.815 111.783 114.554 0.074 0.000 2.907 1160 T HA 0.630 4.979 4.350 -0.000 0.000 0.290 1160 T C -0.751 173.970 174.700 0.035 0.000 1.066 1160 T CA -0.668 61.456 62.100 0.041 0.000 1.012 1160 T CB 2.190 71.072 68.868 0.023 0.000 1.184 1160 T HN 0.014 nan 8.240 nan 0.000 0.522 1161 E N -0.201 120.014 120.200 0.025 0.000 2.528 1161 E HA 0.532 4.882 4.350 -0.000 0.000 0.277 1161 E C 0.463 177.071 176.600 0.014 0.000 0.980 1161 E CA 0.663 57.075 56.400 0.021 0.000 0.796 1161 E CB 0.456 30.169 29.700 0.022 0.000 1.427 1161 E HN 1.342 nan 8.360 nan 0.000 0.394 1162 G N 4.223 113.030 108.800 0.012 0.000 2.528 1162 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.262 1162 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.262 1162 G C 0.351 175.254 174.900 0.005 0.000 1.200 1162 G CA 0.058 45.163 45.100 0.008 0.000 0.951 1162 G HN 0.520 nan 8.290 nan 0.000 0.566 1163 N N 1.603 120.304 118.700 0.002 0.000 2.313 1163 N HA 0.222 4.961 4.740 -0.000 0.000 0.207 1163 N C 0.147 175.655 175.510 -0.003 0.000 1.141 1163 N CA 1.102 54.151 53.050 -0.001 0.000 0.830 1163 N CB 0.392 38.877 38.487 -0.003 0.000 1.008 1163 N HN 0.558 nan 8.380 nan 0.000 0.481 1164 T N 0.859 115.413 114.554 0.000 0.000 2.893 1164 T HA 0.405 4.755 4.350 -0.000 0.000 0.291 1164 T C 0.256 174.957 174.700 0.002 0.000 1.028 1164 T CA -0.569 61.531 62.100 -0.001 0.000 0.995 1164 T CB 2.041 70.911 68.868 0.003 0.000 1.051 1164 T HN -0.163 nan 8.240 nan 0.000 0.470 1165 I N 3.291 123.858 120.570 -0.004 0.000 2.529 1165 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 1165 I C 0.755 176.882 176.117 0.017 0.000 1.082 1165 I CA -0.538 60.760 61.300 -0.003 0.000 1.406 1165 I CB 0.230 38.214 38.000 -0.027 0.000 1.405 1165 I HN 0.556 nan 8.210 nan 0.000 0.548 1166 N N 4.448 123.170 118.700 0.037 0.000 2.454 1166 N HA 0.005 4.744 4.740 -0.000 0.000 0.260 1166 N C 1.178 176.720 175.510 0.053 0.000 1.218 1166 N CA 0.107 53.187 53.050 0.050 0.000 0.904 1166 N CB 0.849 39.380 38.487 0.074 0.000 1.065 1166 N HN 0.485 nan 8.380 nan 0.000 0.462 1167 S N 2.683 118.409 115.700 0.043 0.000 2.377 1167 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 1167 S C 0.919 175.554 174.600 0.058 0.000 1.042 1167 S CA 1.694 59.919 58.200 0.041 0.000 1.086 1167 S CB -0.197 63.023 63.200 0.033 0.000 0.995 1167 S HN 0.625 nan 8.310 nan 0.000 0.428 1168 D N 1.480 121.921 120.400 0.068 0.000 2.219 1168 D HA 0.146 4.786 4.640 -0.000 0.000 0.205 1168 D C 2.063 178.445 176.300 0.137 0.000 0.970 1168 D CA 0.884 54.936 54.000 0.086 0.000 0.851 1168 D CB -0.369 40.475 40.800 0.074 0.000 0.943 1168 D HN 0.396 nan 8.370 nan 0.000 0.488 1169 A N 0.837 123.755 122.820 0.165 0.000 1.892 1169 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 1169 A C 2.126 179.862 177.584 0.253 0.000 1.188 1169 A CA 1.674 53.884 52.037 0.289 0.000 0.631 1169 A CB -0.741 18.425 19.000 0.276 0.000 0.822 1169 A HN 0.262 nan 8.150 nan 0.000 0.447 1170 M N -0.511 119.162 119.600 0.121 0.000 2.149 1170 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 1170 M C 2.226 178.604 176.300 0.130 0.000 1.064 1170 M CA 1.737 57.082 55.300 0.075 0.000 1.102 1170 M CB -0.228 32.387 32.600 0.025 0.000 1.369 1170 M HN 0.439 nan 8.290 nan 0.000 0.408 1171 A N -0.099 122.793 122.820 0.120 0.000 1.930 1171 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 1171 A C 1.895 179.560 177.584 0.135 0.000 1.175 1171 A CA 1.662 53.763 52.037 0.107 0.000 0.627 1171 A CB -0.676 18.373 19.000 0.081 0.000 0.815 1171 A HN 0.711 nan 8.150 nan 0.000 0.443 1172 Q N -2.027 117.892 119.800 0.198 0.000 2.167 1172 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 1172 Q C 1.859 178.022 176.000 0.272 0.000 0.970 1172 Q CA 1.363 57.314 55.803 0.247 0.000 0.855 1172 Q CB -0.239 28.711 28.738 0.353 0.000 0.911 1172 Q HN 0.731 nan 8.270 nan 0.000 0.438 1173 F N 1.813 121.798 119.950 0.059 0.000 2.113 1173 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 1173 F C 1.872 177.700 175.800 0.047 0.000 1.103 1173 F CA 1.397 59.325 58.000 -0.120 0.000 1.248 1173 F CB 0.157 38.890 39.000 -0.445 0.000 0.999 1173 F HN -0.148 nan 8.300 nan 0.000 0.475 1174 K N -0.020 120.487 120.400 0.179 0.000 2.057 1174 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 1174 K C 2.083 178.681 176.600 -0.003 0.000 1.049 1174 K CA 1.726 58.071 56.287 0.097 0.000 0.931 1174 K CB -0.461 32.100 32.500 0.103 0.000 0.714 1174 K HN 0.382 nan 8.250 nan 0.000 0.440 1175 E N 1.420 121.622 120.200 0.002 0.000 2.085 1175 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 1175 E C 2.232 178.765 176.600 -0.112 0.000 0.994 1175 E CA 1.383 57.766 56.400 -0.028 0.000 0.801 1175 E CB 0.104 29.809 29.700 0.007 0.000 0.743 1175 E HN 0.314 nan 8.360 nan 0.000 0.453 1176 Q N -1.242 118.424 119.800 -0.224 0.000 2.187 1176 Q HA -0.090 4.250 4.340 -0.000 0.000 0.199 1176 Q C 1.248 176.805 176.000 -0.737 0.000 0.957 1176 Q CA 1.269 56.770 55.803 -0.504 0.000 0.857 1176 Q CB 0.129 28.435 28.738 -0.720 0.000 0.929 1176 Q HN 0.330 nan 8.270 nan 0.000 0.453 1177 F N -0.670 119.085 119.950 -0.325 0.000 2.740 1177 F HA 0.204 4.731 4.527 -0.001 0.000 0.304 1177 F C 0.278 175.933 175.800 -0.241 0.000 1.098 1177 F CA -0.886 56.909 58.000 -0.342 0.000 1.258 1177 F CB 0.489 39.127 39.000 -0.603 0.000 1.061 1177 F HN 0.006 nan 8.300 nan 0.000 0.598 1178 L N 1.941 123.150 121.223 -0.023 0.000 2.540 1178 L HA 0.010 4.350 4.340 -0.000 0.000 0.276 1178 L C 0.428 177.251 176.870 -0.078 0.000 1.212 1178 L CA 0.352 55.171 54.840 -0.034 0.000 0.893 1178 L CB -0.272 41.783 42.059 -0.006 0.000 1.138 1178 L HN 0.279 nan 8.230 nan 0.000 0.491 1179 D N 2.061 122.381 120.400 -0.134 0.000 3.079 1179 D HA -0.202 4.438 4.640 -0.000 0.000 0.214 1179 D C 0.145 176.344 176.300 -0.168 0.000 1.145 1179 D CA 1.053 54.969 54.000 -0.140 0.000 0.958 1179 D CB -0.574 40.220 40.800 -0.010 0.000 1.117 1179 D HN 0.671 nan 8.370 nan 0.000 0.416 1180 R N 0.011 120.379 120.500 -0.220 0.000 2.923 1180 R HA 0.513 4.852 4.340 -0.000 0.000 0.252 1180 R C -0.354 175.879 176.300 -0.111 0.000 1.130 1180 R CA -0.824 55.210 56.100 -0.110 0.000 1.043 1180 R CB 1.234 31.489 30.300 -0.074 0.000 1.205 1180 R HN -0.157 nan 8.270 nan 0.000 0.495 1181 D N 1.318 121.738 120.400 0.033 0.000 2.193 1181 D HA 0.300 4.940 4.640 -0.000 0.000 0.244 1181 D C -0.253 176.087 176.300 0.065 0.000 1.064 1181 D CA -0.186 53.862 54.000 0.081 0.000 0.845 1181 D CB 1.665 42.544 40.800 0.132 0.000 1.148 1181 D HN 0.257 nan 8.370 nan 0.000 0.464 1182 I N 1.987 122.588 120.570 0.051 0.000 2.304 1182 I HA 0.096 4.265 4.170 -0.000 0.000 0.291 1182 I C 0.377 176.451 176.117 -0.072 0.000 1.018 1182 I CA -0.745 60.519 61.300 -0.060 0.000 1.260 1182 I CB 0.935 38.795 38.000 -0.234 0.000 1.390 1182 I HN -0.064 nan 8.210 nan 0.000 0.475 1183 K N 7.149 127.491 120.400 -0.098 0.000 2.248 1183 K HA 0.450 4.769 4.320 -0.000 0.000 0.281 1183 K C -1.164 175.367 176.600 -0.115 0.000 1.054 1183 K CA -0.058 56.223 56.287 -0.009 0.000 0.903 1183 K CB 0.444 32.946 32.500 0.002 0.000 1.077 1183 K HN 0.173 nan 8.250 nan 0.000 0.474 1184 F N 1.703 121.679 119.950 0.043 0.000 2.408 1184 F HA 0.250 4.777 4.527 -0.001 0.000 0.325 1184 F C 1.350 177.189 175.800 0.065 0.000 1.082 1184 F CA -0.353 57.679 58.000 0.053 0.000 1.032 1184 F CB 1.135 40.162 39.000 0.045 0.000 1.259 1184 F HN 0.599 nan 8.300 nan 0.000 0.503 1185 D N -0.455 120.111 120.400 0.277 0.000 2.289 1185 D HA 0.018 4.658 4.640 -0.000 0.000 0.207 1185 D C 0.411 176.883 176.300 0.287 0.000 0.966 1185 D CA 0.831 54.977 54.000 0.242 0.000 0.868 1185 D CB 0.265 41.204 40.800 0.232 0.000 0.943 1185 D HN 0.432 nan 8.370 nan 0.000 0.514 1186 S N -1.342 114.492 115.700 0.224 0.000 2.705 1186 S HA 0.368 4.838 4.470 -0.000 0.000 0.280 1186 S C -0.661 173.883 174.600 -0.093 0.000 1.174 1186 S CA -0.994 57.222 58.200 0.027 0.000 0.823 1186 S CB 0.728 63.958 63.200 0.050 0.000 1.162 1186 S HN -0.026 nan 8.310 nan 0.000 0.487 1187 Y N 0.575 120.809 120.300 -0.110 0.000 2.904 1187 Y HA 0.195 4.745 4.550 -0.001 0.000 0.336 1187 Y C 0.481 176.353 175.900 -0.045 0.000 1.263 1187 Y CA -0.089 57.956 58.100 -0.093 0.000 1.547 1187 Y CB 0.165 38.577 38.460 -0.079 0.000 1.272 1187 Y HN 0.492 nan 8.280 nan 0.000 0.596 1188 L N 6.524 127.770 121.223 0.038 0.000 2.261 1188 L HA 0.220 4.559 4.340 -0.000 0.000 0.289 1188 L C -0.562 176.298 176.870 -0.018 0.000 1.059 1188 L CA -0.643 54.129 54.840 -0.113 0.000 0.816 1188 L CB -0.009 41.854 42.059 -0.327 0.000 1.191 1188 L HN 0.561 nan 8.230 nan 0.000 0.431 1189 D N 3.166 123.566 120.400 -0.000 0.000 2.412 1189 D HA 0.284 4.924 4.640 -0.000 0.000 0.224 1189 D C -0.202 176.047 176.300 -0.085 0.000 1.093 1189 D CA -0.388 53.608 54.000 -0.007 0.000 0.850 1189 D CB 1.155 41.968 40.800 0.023 0.000 1.046 1189 D HN 0.490 nan 8.370 nan 0.000 0.507 1190 T N -0.644 113.853 114.554 -0.095 0.000 2.950 1190 T HA 0.377 4.726 4.350 -0.000 0.000 0.288 1190 T C 0.031 174.630 174.700 -0.168 0.000 1.035 1190 T CA -0.803 61.249 62.100 -0.081 0.000 1.028 1190 T CB 1.920 70.783 68.868 -0.009 0.000 1.109 1190 T HN 0.391 nan 8.240 nan 0.000 0.514 1191 H N 0.535 119.677 119.070 0.120 0.000 2.525 1191 H HA 0.393 4.949 4.556 -0.000 0.000 0.340 1191 H C 0.697 176.137 175.328 0.187 0.000 1.168 1191 H CA -0.799 55.331 56.048 0.137 0.000 1.247 1191 H CB 1.840 31.669 29.762 0.111 0.000 1.568 1191 H HN 0.483 nan 8.280 nan 0.000 0.536 1192 L N 0.632 122.016 121.223 0.267 0.000 2.558 1192 L HA 0.034 4.374 4.340 -0.000 0.000 0.225 1192 L C 0.609 177.606 176.870 0.213 0.000 1.128 1192 L CA 0.477 55.444 54.840 0.212 0.000 0.868 1192 L CB -0.072 42.057 42.059 0.117 0.000 1.006 1192 L HN 0.600 nan 8.230 nan 0.000 0.454 1193 T N -3.825 110.804 114.554 0.124 0.000 2.864 1193 T HA 0.680 5.029 4.350 -0.000 0.000 0.299 1193 T C -0.301 174.100 174.700 -0.497 0.000 1.166 1193 T CA -0.652 61.345 62.100 -0.171 0.000 1.007 1193 T CB 2.099 70.902 68.868 -0.108 0.000 1.219 1193 T HN -0.019 nan 8.240 nan 0.000 0.506 1194 A N 1.889 124.126 122.820 -0.972 0.000 2.531 1194 A HA 0.480 4.799 4.320 -0.000 0.000 0.236 1194 A C 0.335 177.723 177.584 -0.325 0.000 1.062 1194 A CA -0.179 51.388 52.037 -0.784 0.000 0.760 1194 A CB -0.143 18.497 19.000 -0.600 0.000 0.995 1194 A HN 0.686 nan 8.150 nan 0.000 0.501 1195 Q N 0.772 120.447 119.800 -0.209 0.000 2.226 1195 Q HA 0.335 4.675 4.340 -0.000 0.000 0.256 1195 Q C -0.305 175.620 176.000 -0.126 0.000 0.962 1195 Q CA -0.779 54.908 55.803 -0.193 0.000 0.887 1195 Q CB 1.433 30.013 28.738 -0.265 0.000 1.282 1195 Q HN 0.813 nan 8.270 nan 0.000 0.449 1196 Q N 0.507 120.240 119.800 -0.112 0.000 2.364 1196 Q HA 0.151 4.491 4.340 -0.000 0.000 0.267 1196 Q C -0.962 175.003 176.000 -0.059 0.000 0.999 1196 Q CA 0.048 55.806 55.803 -0.074 0.000 0.886 1196 Q CB 0.749 29.449 28.738 -0.063 0.000 1.243 1196 Q HN 0.399 nan 8.270 nan 0.000 0.415 1197 V N 4.094 123.983 119.914 -0.041 0.000 2.479 1197 V HA 0.207 4.327 4.120 -0.000 0.000 0.281 1197 V C -0.036 176.045 176.094 -0.022 0.000 1.031 1197 V CA 0.166 62.449 62.300 -0.028 0.000 1.038 1197 V CB 0.328 32.138 31.823 -0.022 0.000 0.981 1197 V HN 0.849 nan 8.190 nan 0.000 0.478 1198 S N 3.272 118.963 115.700 -0.016 0.000 2.474 1198 S HA 0.531 5.001 4.470 -0.000 0.000 0.321 1198 S C 0.713 175.313 174.600 0.000 0.000 1.080 1198 S CA 0.082 58.277 58.200 -0.009 0.000 1.106 1198 S CB 1.470 64.665 63.200 -0.008 0.000 0.984 1198 S HN 1.562 nan 8.310 nan 0.000 0.464 1199 S N 3.492 119.193 115.700 0.001 0.000 4.157 1199 S HA -0.388 4.082 4.470 -0.000 0.000 0.538 1199 S C 1.238 175.844 174.600 0.010 0.000 1.384 1199 S CA 1.610 59.813 58.200 0.006 0.000 3.765 1199 S CB -1.617 61.589 63.200 0.009 0.000 1.819 1199 S HN 0.710 nan 8.310 nan 0.000 0.455 1200 K N 2.499 122.909 120.400 0.016 0.000 2.379 1200 K HA 0.245 4.564 4.320 -0.000 0.000 0.194 1200 K C 0.517 177.133 176.600 0.026 0.000 1.031 1200 K CA 0.541 56.842 56.287 0.023 0.000 1.037 1200 K CB -0.197 32.321 32.500 0.030 0.000 0.824 1200 K HN 0.766 nan 8.250 nan 0.000 0.516 1201 E N 1.989 122.203 120.200 0.023 0.000 2.222 1201 E HA 0.040 4.390 4.350 -0.000 0.000 0.312 1201 E C 0.568 177.173 176.600 0.009 0.000 1.263 1201 E CA -0.140 56.276 56.400 0.026 0.000 1.356 1201 E CB 0.197 29.916 29.700 0.030 0.000 1.180 1201 E HN -0.026 nan 8.360 nan 0.000 0.494 1202 R N 0.502 121.002 120.500 0.001 0.000 2.310 1202 R HA 0.091 4.431 4.340 -0.000 0.000 0.202 1202 R C 0.101 176.362 176.300 -0.065 0.000 0.933 1202 R CA 0.099 56.183 56.100 -0.026 0.000 1.054 1202 R CB 0.317 30.603 30.300 -0.023 0.000 0.985 1202 R HN 0.094 nan 8.270 nan 0.000 0.489 1203 V N 2.550 122.428 119.914 -0.059 0.000 2.370 1203 V HA 0.346 4.466 4.120 -0.000 0.000 0.283 1203 V C 0.322 176.392 176.094 -0.040 0.000 1.023 1203 V CA -0.615 61.619 62.300 -0.110 0.000 0.857 1203 V CB 1.935 33.685 31.823 -0.121 0.000 0.985 1203 V HN 0.019 nan 8.190 nan 0.000 0.443 1204 I N 6.235 126.779 120.570 -0.043 0.000 2.312 1204 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 1204 I C -0.380 175.749 176.117 0.020 0.000 1.008 1204 I CA -0.299 61.011 61.300 0.016 0.000 1.226 1204 I CB 1.125 39.145 38.000 0.034 0.000 1.371 1204 I HN 0.352 nan 8.210 nan 0.000 0.468 1205 L N 7.286 128.537 121.223 0.046 0.000 2.257 1205 L HA 0.382 4.722 4.340 -0.000 0.000 0.290 1205 L C 0.201 177.049 176.870 -0.038 0.000 1.044 1205 L CA -0.384 54.471 54.840 0.026 0.000 0.810 1205 L CB 0.731 42.828 42.059 0.064 0.000 1.193 1205 L HN 0.532 nan 8.230 nan 0.000 0.425 1206 K N 3.850 124.187 120.400 -0.105 0.000 2.357 1206 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 1206 K C -1.200 175.271 176.600 -0.215 0.000 1.069 1206 K CA -0.459 55.654 56.287 -0.289 0.000 0.994 1206 K CB 0.906 33.257 32.500 -0.248 0.000 1.411 1206 K HN 0.359 nan 8.250 nan 0.000 0.450 1207 V N 3.555 123.340 119.914 -0.214 0.000 2.350 1207 V HA 0.179 4.299 4.120 -0.000 0.000 0.276 1207 V C 0.105 176.113 176.094 -0.142 0.000 1.028 1207 V CA -0.737 61.482 62.300 -0.134 0.000 0.860 1207 V CB 1.416 33.178 31.823 -0.102 0.000 0.990 1207 V HN 0.667 nan 8.190 nan 0.000 0.453 1208 T N 5.008 119.499 114.554 -0.104 0.000 2.761 1208 T HA 0.309 4.659 4.350 -0.000 0.000 0.296 1208 T C 0.038 174.688 174.700 -0.083 0.000 0.934 1208 T CA -0.061 61.983 62.100 -0.094 0.000 1.091 1208 T CB 0.895 69.722 68.868 -0.068 0.000 0.896 1208 T HN 0.389 nan 8.240 nan 0.000 0.515 1209 V N 8.502 128.362 119.914 -0.089 0.000 2.277 1209 V HA 0.279 4.398 4.120 -0.000 0.000 0.269 1209 V C -1.788 174.259 176.094 -0.078 0.000 1.036 1209 V CA -1.951 60.287 62.300 -0.103 0.000 0.821 1209 V CB 0.683 32.449 31.823 -0.095 0.000 1.052 1209 V HN 0.719 nan 8.190 nan 0.000 0.462 1210 P HA 0.126 nan 4.420 nan 0.000 0.275 1210 P C 0.839 178.109 177.300 -0.050 0.000 1.228 1210 P CA -0.046 63.025 63.100 -0.048 0.000 0.786 1210 P CB 1.526 33.205 31.700 -0.036 0.000 0.927 1211 S N 1.744 117.432 115.700 -0.020 0.000 2.414 1211 S HA 0.051 4.521 4.470 -0.000 0.000 0.227 1211 S C 1.699 176.289 174.600 -0.017 0.000 1.022 1211 S CA 0.932 59.122 58.200 -0.016 0.000 0.958 1211 S CB -1.508 61.699 63.200 0.011 0.000 0.797 1211 S HN 0.778 nan 8.310 nan 0.000 0.493 1212 G N 1.561 110.358 108.800 -0.006 0.000 2.166 1212 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.260 1212 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.260 1212 G C 0.006 174.911 174.900 0.008 0.000 0.986 1212 G CA 0.589 45.694 45.100 0.007 0.000 0.683 1212 G HN 0.815 nan 8.290 nan 0.000 0.527 1213 K N 0.187 120.590 120.400 0.004 0.000 2.451 1213 K HA 0.402 4.722 4.320 -0.000 0.000 0.280 1213 K C 1.661 178.266 176.600 0.008 0.000 1.020 1213 K CA 1.155 57.445 56.287 0.005 0.000 1.008 1213 K CB -0.230 32.273 32.500 0.006 0.000 0.917 1213 K HN 1.369 nan 8.250 nan 0.000 0.478 1214 G N 2.013 110.818 108.800 0.009 0.000 2.199 1214 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 1214 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 1214 G C 0.019 174.927 174.900 0.012 0.000 0.982 1214 G CA 0.478 45.584 45.100 0.010 0.000 0.632 1214 G HN 0.851 nan 8.290 nan 0.000 0.529 1215 S N -0.845 114.864 115.700 0.015 0.000 2.745 1215 S HA 0.666 5.136 4.470 -0.000 0.000 0.292 1215 S C 1.519 176.133 174.600 0.023 0.000 1.133 1215 S CA 0.866 59.077 58.200 0.018 0.000 0.998 1215 S CB 1.459 64.672 63.200 0.021 0.000 1.087 1215 S HN 1.167 nan 8.310 nan 0.000 0.551 1216 T N -2.180 112.389 114.554 0.025 0.000 3.085 1216 T HA 0.096 4.445 4.350 -0.000 0.000 0.263 1216 T C 0.862 175.584 174.700 0.037 0.000 1.127 1216 T CA 0.805 62.923 62.100 0.029 0.000 1.103 1216 T CB -1.000 67.885 68.868 0.028 0.000 0.921 1216 T HN 0.941 nan 8.240 nan 0.000 0.510 1217 T N -0.107 114.471 114.554 0.040 0.000 3.410 1217 T HA 0.527 4.876 4.350 -0.000 0.000 0.328 1217 T C -3.150 171.587 174.700 0.062 0.000 1.567 1217 T CA -1.762 60.370 62.100 0.053 0.000 1.626 1217 T CB 0.701 69.602 68.868 0.056 0.000 0.939 1217 T HN 0.006 nan 8.240 nan 0.000 0.656 1218 P HA 0.200 nan 4.420 nan 0.000 0.267 1218 P C 0.165 177.501 177.300 0.059 0.000 1.200 1218 P CA 0.006 63.127 63.100 0.035 0.000 0.772 1218 P CB 0.336 32.046 31.700 0.017 0.000 0.855 1219 T N 3.311 117.878 114.554 0.023 0.000 2.853 1219 T HA 0.055 4.405 4.350 -0.000 0.000 0.298 1219 T C 0.455 175.147 174.700 -0.014 0.000 0.978 1219 T CA -0.099 61.999 62.100 -0.004 0.000 1.152 1219 T CB -0.085 68.684 68.868 -0.165 0.000 0.914 1219 T HN 0.227 nan 8.240 nan 0.000 0.539 1220 K N 2.849 123.328 120.400 0.131 0.000 2.111 1220 K HA 0.512 4.832 4.320 -0.000 0.000 0.249 1220 K C -0.162 176.487 176.600 0.082 0.000 1.157 1220 K CA -0.304 56.071 56.287 0.148 0.000 1.048 1220 K CB 0.185 32.854 32.500 0.282 0.000 1.498 1220 K HN 0.677 nan 8.250 nan 0.000 0.344 1221 A N 1.194 123.935 122.820 -0.131 0.000 2.606 1221 A HA 0.860 5.180 4.320 -0.000 0.000 0.293 1221 A C -0.803 176.485 177.584 -0.493 0.000 1.082 1221 A CA -0.630 51.291 52.037 -0.194 0.000 0.685 1221 A CB 2.044 20.928 19.000 -0.193 0.000 1.284 1221 A HN 0.545 nan 8.150 nan 0.000 0.408 1222 G N -0.844 107.625 108.800 -0.553 0.000 2.601 1222 G HA2 0.600 4.559 3.960 -0.000 0.000 0.291 1222 G HA3 0.600 4.559 3.960 -0.000 0.000 0.291 1222 G C -1.537 173.354 174.900 -0.015 0.000 1.456 1222 G CA -0.377 44.384 45.100 -0.565 0.000 0.804 1222 G HN 1.179 nan 8.290 nan 0.000 0.499 1223 V N 1.144 121.140 119.914 0.137 0.000 2.546 1223 V HA 0.617 4.736 4.120 -0.000 0.000 0.284 1223 V C 0.260 176.545 176.094 0.318 0.000 1.050 1223 V CA -0.352 62.083 62.300 0.225 0.000 0.981 1223 V CB 1.225 33.134 31.823 0.143 0.000 0.990 1223 V HN 0.692 nan 8.190 nan 0.000 0.474 1224 I N 4.292 125.006 120.570 0.240 0.000 2.865 1224 I HA 0.510 4.680 4.170 -0.000 0.000 0.302 1224 I C -1.435 174.695 176.117 0.022 0.000 1.140 1224 I CA -1.074 60.296 61.300 0.117 0.000 1.021 1224 I CB 2.188 40.213 38.000 0.042 0.000 1.233 1224 I HN 0.552 nan 8.210 nan 0.000 0.427 1225 L N 7.786 128.950 121.223 -0.098 0.000 2.257 1225 L HA 0.518 4.858 4.340 -0.000 0.000 0.290 1225 L C -0.932 175.818 176.870 -0.199 0.000 1.044 1225 L CA 0.268 54.926 54.840 -0.304 0.000 0.810 1225 L CB 0.418 42.228 42.059 -0.416 0.000 1.193 1225 L HN 0.642 nan 8.230 nan 0.000 0.425 1226 N N 4.358 122.955 118.700 -0.172 0.000 2.287 1226 N HA 0.211 4.951 4.740 -0.000 0.000 0.289 1226 N C -0.524 174.934 175.510 -0.087 0.000 1.066 1226 N CA -0.236 52.750 53.050 -0.107 0.000 0.841 1226 N CB 1.521 39.970 38.487 -0.063 0.000 1.599 1226 N HN 0.788 nan 8.380 nan 0.000 0.476 1227 N N 2.335 120.994 118.700 -0.069 0.000 2.740 1227 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 1227 N C -0.924 174.553 175.510 -0.055 0.000 1.062 1227 N CA 0.906 53.929 53.050 -0.045 0.000 0.704 1227 N CB -0.846 37.633 38.487 -0.014 0.000 0.968 1227 N HN 0.654 nan 8.380 nan 0.000 0.547 1228 S N -1.488 114.155 115.700 -0.095 0.000 3.476 1228 S HA -0.259 4.211 4.470 -0.000 0.000 0.309 1228 S C -0.239 174.288 174.600 -0.121 0.000 1.222 1228 S CA 1.642 59.778 58.200 -0.108 0.000 0.922 1228 S CB -0.926 62.242 63.200 -0.054 0.000 1.023 1228 S HN 0.809 nan 8.310 nan 0.000 0.591 1229 E N -0.632 119.477 120.200 -0.153 0.000 2.314 1229 E HA 0.503 4.853 4.350 -0.000 0.000 0.272 1229 E C -1.291 175.203 176.600 -0.175 0.000 0.884 1229 E CA -0.845 55.500 56.400 -0.091 0.000 0.753 1229 E CB 1.084 30.807 29.700 0.038 0.000 1.213 1229 E HN 0.249 nan 8.360 nan 0.000 0.432 1230 Y N 2.528 122.851 120.300 0.039 0.000 2.365 1230 Y HA 0.321 4.871 4.550 -0.000 0.000 0.340 1230 Y C 0.285 176.222 175.900 0.062 0.000 1.016 1230 Y CA -0.017 58.111 58.100 0.047 0.000 1.196 1230 Y CB 1.001 39.492 38.460 0.053 0.000 1.167 1230 Y HN 0.221 nan 8.280 nan 0.000 0.509 1231 K N 2.368 122.858 120.400 0.150 0.000 2.400 1231 K HA 0.605 4.925 4.320 -0.000 0.000 0.246 1231 K C -1.230 175.444 176.600 0.125 0.000 0.995 1231 K CA -1.396 54.937 56.287 0.078 0.000 0.840 1231 K CB 2.178 34.642 32.500 -0.060 0.000 1.293 1231 K HN 0.471 nan 8.250 nan 0.000 0.445 1232 M N 2.554 122.209 119.600 0.091 0.000 2.180 1232 M HA 0.337 4.817 4.480 -0.000 0.000 0.350 1232 M C -1.718 174.632 176.300 0.083 0.000 1.125 1232 M CA -0.868 54.495 55.300 0.105 0.000 1.031 1232 M CB 0.774 33.428 32.600 0.090 0.000 1.623 1232 M HN 0.484 nan 8.290 nan 0.000 0.451 1233 L N 7.036 128.344 121.223 0.142 0.000 2.313 1233 L HA 0.679 5.019 4.340 -0.000 0.000 0.283 1233 L C -1.496 175.516 176.870 0.238 0.000 1.013 1233 L CA -0.116 54.855 54.840 0.218 0.000 0.816 1233 L CB 1.048 43.321 42.059 0.355 0.000 1.236 1233 L HN 0.758 nan 8.230 nan 0.000 0.419 1234 I N 3.739 124.414 120.570 0.175 0.000 2.404 1234 I HA 0.305 4.475 4.170 -0.000 0.000 0.293 1234 I C -0.197 175.938 176.117 0.029 0.000 0.992 1234 I CA -0.889 60.452 61.300 0.068 0.000 1.149 1234 I CB 1.704 39.660 38.000 -0.073 0.000 1.315 1234 I HN 0.540 nan 8.210 nan 0.000 0.446 1235 D N 4.026 124.313 120.400 -0.189 0.000 2.362 1235 D HA -0.021 4.618 4.640 -0.000 0.000 0.238 1235 D C 1.080 177.294 176.300 -0.144 0.000 1.212 1235 D CA 0.313 54.002 54.000 -0.518 0.000 0.902 1235 D CB 0.760 41.239 40.800 -0.534 0.000 1.180 1235 D HN 0.378 nan 8.370 nan 0.000 0.445 1236 N N 1.096 119.603 118.700 -0.322 0.000 2.364 1236 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 1236 N C 1.296 176.684 175.510 -0.204 0.000 1.022 1236 N CA 0.810 53.685 53.050 -0.293 0.000 0.883 1236 N CB -0.117 38.132 38.487 -0.398 0.000 0.965 1236 N HN 0.521 nan 8.380 nan 0.000 0.438 1237 G N -0.710 107.917 108.800 -0.290 0.000 3.234 1237 G HA2 0.016 3.976 3.960 -0.000 0.000 0.221 1237 G HA3 0.016 3.976 3.960 -0.000 0.000 0.221 1237 G C -0.551 173.943 174.900 -0.678 0.000 1.229 1237 G CA 0.093 44.911 45.100 -0.470 0.000 0.909 1237 G HN 0.192 nan 8.290 nan 0.000 0.510 1238 Y N -1.107 119.141 120.300 -0.087 0.000 2.492 1238 Y HA 0.587 5.137 4.550 -0.000 0.000 0.346 1238 Y C 0.207 176.125 175.900 0.031 0.000 0.997 1238 Y CA -1.103 56.975 58.100 -0.036 0.000 1.025 1238 Y CB 1.861 40.292 38.460 -0.048 0.000 1.263 1238 Y HN -0.100 nan 8.280 nan 0.000 0.454 1239 M N 1.806 121.535 119.600 0.216 0.000 2.762 1239 M HA 0.654 5.134 4.480 -0.000 0.000 0.306 1239 M C -1.145 175.308 176.300 0.256 0.000 1.223 1239 M CA -1.302 54.143 55.300 0.242 0.000 0.896 1239 M CB 2.022 34.716 32.600 0.156 0.000 1.684 1239 M HN 0.277 nan 8.290 nan 0.000 0.491 1240 V N 0.618 120.717 119.914 0.308 0.000 2.347 1240 V HA 0.182 4.302 4.120 -0.000 0.000 0.280 1240 V C -0.723 175.477 176.094 0.176 0.000 1.021 1240 V CA -0.542 61.903 62.300 0.241 0.000 0.847 1240 V CB 0.723 32.732 31.823 0.309 0.000 0.990 1240 V HN 0.680 nan 8.190 nan 0.000 0.444 1241 H N 4.363 123.483 119.070 0.084 0.000 2.742 1241 H HA 0.414 4.970 4.556 -0.000 0.000 0.302 1241 H C -0.412 174.946 175.328 0.049 0.000 1.069 1241 H CA -0.245 55.837 56.048 0.058 0.000 1.446 1241 H CB 1.243 31.030 29.762 0.042 0.000 1.462 1241 H HN 0.421 nan 8.280 nan 0.000 0.499 1242 V N 6.960 126.626 119.914 -0.414 0.000 2.405 1242 V HA -0.012 4.107 4.120 -0.000 0.000 0.264 1242 V C 0.584 176.549 176.094 -0.214 0.000 1.048 1242 V CA 0.070 62.236 62.300 -0.223 0.000 0.966 1242 V CB 0.856 32.598 31.823 -0.135 0.000 1.015 1242 V HN 0.929 nan 8.190 nan 0.000 0.477 1243 D N 3.405 123.781 120.400 -0.039 0.000 2.216 1243 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 1243 D C 0.803 177.113 176.300 0.016 0.000 0.960 1243 D CA 0.815 54.834 54.000 0.030 0.000 0.861 1243 D CB 0.829 41.668 40.800 0.065 0.000 0.985 1243 D HN 0.529 nan 8.370 nan 0.000 0.493 1244 K N 0.199 120.607 120.400 0.012 0.000 2.562 1244 K HA 0.411 4.731 4.320 -0.000 0.000 0.267 1244 K C -2.022 174.599 176.600 0.035 0.000 0.938 1244 K CA -0.502 55.797 56.287 0.021 0.000 0.840 1244 K CB 2.635 35.144 32.500 0.015 0.000 1.390 1244 K HN -0.293 nan 8.250 nan 0.000 0.428 1245 V N 2.507 122.450 119.914 0.049 0.000 2.588 1245 V HA 0.621 4.741 4.120 -0.000 0.000 0.304 1245 V C -0.934 175.178 176.094 0.029 0.000 1.042 1245 V CA -0.488 61.852 62.300 0.068 0.000 0.877 1245 V CB 1.578 33.495 31.823 0.158 0.000 0.996 1245 V HN 0.954 nan 8.190 nan 0.000 0.425 1246 S N 3.657 119.355 115.700 -0.004 0.000 2.588 1246 S HA 0.655 5.125 4.470 -0.000 0.000 0.269 1246 S C -1.333 173.243 174.600 -0.040 0.000 1.157 1246 S CA -1.190 57.001 58.200 -0.014 0.000 0.824 1246 S CB 1.975 65.172 63.200 -0.005 0.000 1.126 1246 S HN 0.525 nan 8.310 nan 0.000 0.464 1247 K N 0.842 121.222 120.400 -0.033 0.000 2.143 1247 K HA 0.699 5.019 4.320 -0.000 0.000 0.272 1247 K C -0.509 176.073 176.600 -0.028 0.000 1.001 1247 K CA -0.677 55.585 56.287 -0.042 0.000 0.915 1247 K CB 1.548 34.029 32.500 -0.032 0.000 1.047 1247 K HN 0.734 nan 8.250 nan 0.000 0.458 1248 V N -1.105 118.790 119.914 -0.031 0.000 3.049 1248 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 1248 V C -0.859 175.223 176.094 -0.020 0.000 1.148 1248 V CA -1.025 61.264 62.300 -0.019 0.000 0.990 1248 V CB 1.968 33.784 31.823 -0.011 0.000 1.039 1248 V HN 0.378 nan 8.190 nan 0.000 0.430 1249 V N 3.274 123.179 119.914 -0.015 0.000 2.448 1249 V HA 0.648 4.768 4.120 -0.000 0.000 0.295 1249 V C -0.392 175.693 176.094 -0.015 0.000 1.025 1249 V CA -0.551 61.740 62.300 -0.015 0.000 0.859 1249 V CB 1.706 33.522 31.823 -0.012 0.000 0.988 1249 V HN 0.923 nan 8.190 nan 0.000 0.431 1250 K N 3.956 124.346 120.400 -0.017 0.000 2.450 1250 K HA 0.380 4.700 4.320 -0.000 0.000 0.257 1250 K C 0.005 176.594 176.600 -0.019 0.000 0.953 1250 K CA -0.863 55.412 56.287 -0.019 0.000 0.844 1250 K CB 1.476 33.963 32.500 -0.023 0.000 1.103 1250 K HN 0.684 nan 8.250 nan 0.000 0.429 1251 K N 1.368 121.757 120.400 -0.019 0.000 3.156 1251 K HA -0.287 4.033 4.320 -0.000 0.000 0.266 1251 K C 0.528 177.120 176.600 -0.013 0.000 0.966 1251 K CA 1.000 57.277 56.287 -0.017 0.000 0.719 1251 K CB -1.521 30.967 32.500 -0.019 0.000 1.333 1251 K HN 1.116 nan 8.250 nan 0.000 0.468 1252 G N -1.543 107.250 108.800 -0.012 0.000 2.162 1252 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 1252 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 1252 G C -0.049 174.845 174.900 -0.010 0.000 0.976 1252 G CA 0.198 45.292 45.100 -0.010 0.000 0.655 1252 G HN 0.456 nan 8.290 nan 0.000 0.533 1253 V N 0.743 120.650 119.914 -0.012 0.000 2.378 1253 V HA 0.496 4.615 4.120 -0.000 0.000 0.288 1253 V C 0.332 176.416 176.094 -0.016 0.000 1.016 1253 V CA -0.827 61.465 62.300 -0.013 0.000 0.840 1253 V CB 1.774 33.589 31.823 -0.013 0.000 0.994 1253 V HN 0.413 nan 8.190 nan 0.000 0.431 1254 E N 3.237 123.427 120.200 -0.017 0.000 2.316 1254 E HA 0.399 4.749 4.350 -0.000 0.000 0.275 1254 E C -0.905 175.674 176.600 -0.034 0.000 1.029 1254 E CA -0.204 56.182 56.400 -0.023 0.000 0.871 1254 E CB 0.836 30.524 29.700 -0.020 0.000 1.022 1254 E HN 0.801 nan 8.360 nan 0.000 0.418 1255 C N 3.330 122.603 119.300 -0.045 0.000 2.973 1255 C HA 0.522 4.982 4.460 -0.000 0.000 0.329 1255 C C -0.987 173.943 174.990 -0.101 0.000 1.327 1255 C CA -0.911 58.067 59.018 -0.066 0.000 1.632 1255 C CB 1.074 28.783 27.740 -0.051 0.000 2.098 1255 C HN 0.703 nan 8.230 nan 0.000 0.469 1256 L N 2.149 123.275 121.223 -0.162 0.000 2.280 1256 L HA 0.477 4.817 4.340 -0.000 0.000 0.287 1256 L C -0.151 176.600 176.870 -0.199 0.000 1.023 1256 L CA 0.357 55.053 54.840 -0.241 0.000 0.819 1256 L CB 0.959 42.732 42.059 -0.476 0.000 1.212 1256 L HN 0.772 nan 8.230 nan 0.000 0.420 1257 Q N 5.009 124.736 119.800 -0.122 0.000 2.314 1257 Q HA 0.508 4.847 4.340 -0.000 0.000 0.259 1257 Q C -1.280 174.695 176.000 -0.042 0.000 0.951 1257 Q CA -0.410 55.355 55.803 -0.064 0.000 0.909 1257 Q CB 1.143 29.867 28.738 -0.023 0.000 1.236 1257 Q HN 0.680 nan 8.270 nan 0.000 0.444 1258 I N 4.020 124.577 120.570 -0.021 0.000 2.321 1258 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 1258 I C -0.372 175.743 176.117 -0.002 0.000 0.998 1258 I CA -0.445 60.867 61.300 0.020 0.000 1.227 1258 I CB 1.564 39.595 38.000 0.051 0.000 1.368 1258 I HN 0.614 nan 8.210 nan 0.000 0.466 1259 E N 4.862 125.060 120.200 -0.004 0.000 2.133 1259 E HA 0.605 4.955 4.350 -0.000 0.000 0.274 1259 E C -0.153 176.443 176.600 -0.007 0.000 0.930 1259 E CA -0.460 55.926 56.400 -0.023 0.000 0.770 1259 E CB 2.154 31.840 29.700 -0.022 0.000 1.104 1259 E HN 0.784 nan 8.360 nan 0.000 0.403 1260 G N 1.480 110.274 108.800 -0.010 0.000 2.766 1260 G HA2 0.603 4.563 3.960 -0.000 0.000 0.288 1260 G HA3 0.603 4.563 3.960 -0.000 0.000 0.288 1260 G C -0.944 173.972 174.900 0.028 0.000 1.408 1260 G CA -0.406 44.709 45.100 0.025 0.000 0.852 1260 G HN 0.330 nan 8.290 nan 0.000 0.487 1261 T N 0.456 115.056 114.554 0.078 0.000 2.900 1261 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 1261 T C -0.021 174.727 174.700 0.081 0.000 1.044 1261 T CA -0.446 61.686 62.100 0.053 0.000 0.995 1261 T CB 1.553 70.453 68.868 0.054 0.000 1.072 1261 T HN 0.420 nan 8.240 nan 0.000 0.473 1262 L N 2.544 123.787 121.223 0.034 0.000 2.453 1262 L HA 0.374 4.713 4.340 -0.000 0.000 0.272 1262 L C 0.482 177.436 176.870 0.139 0.000 1.182 1262 L CA 0.038 54.920 54.840 0.069 0.000 0.858 1262 L CB 0.336 42.353 42.059 -0.070 0.000 1.120 1262 L HN 0.471 nan 8.230 nan 0.000 0.474 1263 K N 4.158 124.683 120.400 0.208 0.000 2.471 1263 K HA 0.294 4.614 4.320 -0.000 0.000 0.252 1263 K C -0.888 175.810 176.600 0.164 0.000 0.938 1263 K CA -0.837 55.546 56.287 0.160 0.000 0.796 1263 K CB 1.698 34.266 32.500 0.113 0.000 1.161 1263 K HN 0.414 nan 8.250 nan 0.000 0.425 1264 K N 2.089 122.543 120.400 0.090 0.000 2.298 1264 K HA 0.144 4.464 4.320 -0.000 0.000 0.280 1264 K C -1.189 175.314 176.600 -0.163 0.000 1.032 1264 K CA -0.021 56.170 56.287 -0.160 0.000 0.958 1264 K CB 1.040 33.444 32.500 -0.161 0.000 0.978 1264 K HN 0.522 nan 8.250 nan 0.000 0.472 1265 S N 5.103 120.648 115.700 -0.258 0.000 2.689 1265 S HA 0.279 4.748 4.470 -0.000 0.000 0.274 1265 S C -0.868 173.560 174.600 -0.286 0.000 1.176 1265 S CA -0.857 57.222 58.200 -0.202 0.000 1.014 1265 S CB 0.475 63.597 63.200 -0.130 0.000 1.071 1265 S HN 0.593 nan 8.310 nan 0.000 0.478 1266 L N 3.947 124.988 121.223 -0.304 0.000 2.513 1266 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 1266 L C -0.168 176.475 176.870 -0.378 0.000 1.187 1266 L CA 0.167 54.750 54.840 -0.429 0.000 0.895 1266 L CB 0.222 41.986 42.059 -0.493 0.000 1.147 1266 L HN 0.636 nan 8.230 nan 0.000 0.483 1267 D N 2.666 122.800 120.400 -0.444 0.000 2.476 1267 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 1267 D C 0.090 176.216 176.300 -0.290 0.000 1.291 1267 D CA -0.453 53.410 54.000 -0.228 0.000 0.939 1267 D CB 0.834 41.554 40.800 -0.133 0.000 1.221 1267 D HN 0.206 nan 8.370 nan 0.000 0.567 1268 F N 2.726 122.648 119.950 -0.047 0.000 2.811 1268 F HA 0.114 4.641 4.527 -0.000 0.000 0.301 1268 F C 1.800 177.563 175.800 -0.061 0.000 1.151 1268 F CA -0.144 57.829 58.000 -0.045 0.000 1.412 1268 F CB -0.057 38.924 39.000 -0.032 0.000 1.113 1268 F HN 0.181 nan 8.300 nan 0.000 0.579 1269 K N 0.432 120.859 120.400 0.046 0.000 1.939 1269 K HA -0.309 4.010 4.320 -0.000 0.000 0.165 1269 K C 0.653 177.120 176.600 -0.222 0.000 1.508 1269 K CA 1.677 57.846 56.287 -0.197 0.000 0.525 1269 K CB -1.600 30.778 32.500 -0.204 0.000 0.615 1269 K HN 0.380 nan 8.250 nan 0.000 0.888 1270 N N 2.806 121.375 118.700 -0.219 0.000 2.362 1270 N HA 0.013 4.753 4.740 -0.000 0.000 0.211 1270 N C -0.347 175.150 175.510 -0.021 0.000 1.170 1270 N CA 0.966 53.936 53.050 -0.133 0.000 0.828 1270 N CB -0.213 38.185 38.487 -0.148 0.000 1.034 1270 N HN 0.541 nan 8.380 nan 0.000 0.475 1271 D N 0.798 121.223 120.400 0.042 0.000 2.740 1271 D HA -0.196 4.444 4.640 -0.000 0.000 0.231 1271 D C 1.047 177.397 176.300 0.084 0.000 1.194 1271 D CA 0.660 54.730 54.000 0.117 0.000 0.673 1271 D CB -1.198 39.667 40.800 0.108 0.000 0.995 1271 D HN 0.684 nan 8.370 nan 0.000 0.411 1272 I N -3.034 117.577 120.570 0.068 0.000 2.756 1272 I HA -0.069 4.101 4.170 -0.000 0.000 0.262 1272 I C 1.139 177.302 176.117 0.077 0.000 1.225 1272 I CA 0.791 62.127 61.300 0.061 0.000 1.472 1272 I CB -0.099 37.934 38.000 0.055 0.000 1.094 1272 I HN 0.027 nan 8.210 nan 0.000 0.454 1273 N N 1.690 120.451 118.700 0.101 0.000 2.234 1273 N HA 0.300 5.039 4.740 -0.000 0.000 0.227 1273 N C 0.522 176.099 175.510 0.112 0.000 1.151 1273 N CA 0.702 53.813 53.050 0.103 0.000 0.865 1273 N CB 1.026 39.581 38.487 0.113 0.000 1.066 1273 N HN 0.409 nan 8.380 nan 0.000 0.515 1274 A N 1.051 123.936 122.820 0.110 0.000 2.466 1274 A HA -0.198 4.122 4.320 -0.000 0.000 0.295 1274 A C 0.925 178.589 177.584 0.133 0.000 1.465 1274 A CA 0.886 52.984 52.037 0.102 0.000 0.744 1274 A CB -1.215 17.826 19.000 0.068 0.000 1.098 1274 A HN 0.242 nan 8.150 nan 0.000 0.402 1275 E N -1.206 119.109 120.200 0.191 0.000 2.490 1275 E HA 0.256 4.606 4.350 -0.000 0.000 0.209 1275 E C 2.119 178.792 176.600 0.121 0.000 0.971 1275 E CA 0.811 57.361 56.400 0.251 0.000 0.988 1275 E CB -0.246 29.686 29.700 0.388 0.000 1.029 1275 E HN 0.966 nan 8.360 nan 0.000 0.496 1276 A N 1.649 124.357 122.820 -0.187 0.000 1.845 1276 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 1276 A C 2.125 179.543 177.584 -0.277 0.000 1.195 1276 A CA 1.683 53.246 52.037 -0.789 0.000 0.616 1276 A CB -0.900 17.734 19.000 -0.610 0.000 0.832 1276 A HN 0.282 nan 8.150 nan 0.000 0.443 1277 H N 0.442 119.458 119.070 -0.089 0.000 2.422 1277 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 1277 H C 2.156 177.490 175.328 0.011 0.000 1.098 1277 H CA 1.857 57.937 56.048 0.054 0.000 1.315 1277 H CB -0.054 29.778 29.762 0.118 0.000 1.382 1277 H HN 0.439 nan 8.280 nan 0.000 0.523 1278 S N -0.013 115.800 115.700 0.187 0.000 2.345 1278 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 1278 S C 1.854 176.476 174.600 0.037 0.000 1.031 1278 S CA 1.094 59.383 58.200 0.147 0.000 0.996 1278 S CB -0.691 62.606 63.200 0.161 0.000 0.882 1278 S HN 0.666 nan 8.310 nan 0.000 0.445 1279 W N 2.665 123.896 121.300 -0.114 0.000 2.321 1279 W HA -0.165 4.495 4.660 -0.001 0.000 0.306 1279 W C 2.251 178.615 176.519 -0.258 0.000 1.217 1279 W CA 1.567 58.845 57.345 -0.112 0.000 1.257 1279 W CB -1.013 28.413 29.460 -0.057 0.000 1.145 1279 W HN 0.280 nan 8.180 nan 0.000 0.509 1280 G N 0.360 108.915 108.800 -0.408 0.000 2.459 1280 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 1280 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 1280 G C 1.371 175.925 174.900 -0.577 0.000 1.183 1280 G CA 1.657 46.075 45.100 -1.138 0.000 0.776 1280 G HN 0.173 nan 8.290 nan 0.000 0.552 1281 M N 0.585 120.009 119.600 -0.292 0.000 2.132 1281 M HA 0.031 4.510 4.480 -0.000 0.000 0.263 1281 M C 2.323 178.572 176.300 -0.085 0.000 1.065 1281 M CA 1.258 56.531 55.300 -0.045 0.000 1.122 1281 M CB -1.090 31.533 32.600 0.039 0.000 1.365 1281 M HN 0.311 nan 8.290 nan 0.000 0.411 1282 K N 0.409 120.710 120.400 -0.165 0.000 2.160 1282 K HA -0.201 4.118 4.320 -0.000 0.000 0.206 1282 K C 1.221 177.663 176.600 -0.263 0.000 1.047 1282 K CA 1.857 58.038 56.287 -0.176 0.000 0.930 1282 K CB 0.027 32.421 32.500 -0.176 0.000 0.720 1282 K HN 0.345 nan 8.250 nan 0.000 0.450 1283 N N -1.477 116.962 118.700 -0.434 0.000 2.388 1283 N HA 0.018 4.758 4.740 -0.000 0.000 0.176 1283 N C 0.048 175.280 175.510 -0.464 0.000 1.062 1283 N CA 0.489 53.238 53.050 -0.502 0.000 0.895 1283 N CB 0.455 38.451 38.487 -0.818 0.000 1.018 1283 N HN 0.141 nan 8.380 nan 0.000 0.456 1284 Y N -0.409 119.784 120.300 -0.178 0.000 2.641 1284 Y HA 0.283 4.833 4.550 -0.000 0.000 0.248 1284 Y C 1.462 177.486 175.900 0.208 0.000 1.170 1284 Y CA -0.436 57.701 58.100 0.062 0.000 1.201 1284 Y CB 0.503 39.014 38.460 0.085 0.000 1.232 1284 Y HN -0.070 nan 8.280 nan 0.000 0.537 1285 E N 1.516 121.819 120.200 0.172 0.000 2.023 1285 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 1285 E C 2.084 178.764 176.600 0.134 0.000 1.003 1285 E CA 2.088 58.575 56.400 0.146 0.000 0.809 1285 E CB 0.016 29.756 29.700 0.068 0.000 0.755 1285 E HN 0.517 nan 8.360 nan 0.000 0.449 1286 E N -0.851 119.400 120.200 0.086 0.000 2.058 1286 E HA -0.232 4.117 4.350 -0.000 0.000 0.194 1286 E C 1.892 178.552 176.600 0.099 0.000 0.997 1286 E CA 1.400 57.837 56.400 0.061 0.000 0.801 1286 E CB -0.494 29.220 29.700 0.024 0.000 0.746 1286 E HN 0.489 nan 8.360 nan 0.000 0.450 1287 W N 1.309 122.601 121.300 -0.014 0.000 2.304 1287 W HA -0.310 4.350 4.660 -0.000 0.000 0.315 1287 W C 2.186 178.745 176.519 0.068 0.000 1.233 1287 W CA 2.842 60.207 57.345 0.033 0.000 1.261 1287 W CB -0.723 28.798 29.460 0.101 0.000 1.150 1287 W HN 0.183 nan 8.180 nan 0.000 0.494 1288 A N 1.328 124.118 122.820 -0.050 0.000 1.858 1288 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 1288 A C 2.032 179.454 177.584 -0.269 0.000 1.190 1288 A CA 2.721 54.560 52.037 -0.329 0.000 0.617 1288 A CB -1.222 17.788 19.000 0.017 0.000 0.827 1288 A HN 0.540 nan 8.150 nan 0.000 0.443 1289 K N -0.800 119.532 120.400 -0.112 0.000 2.280 1289 K HA -0.137 4.182 4.320 -0.000 0.000 0.202 1289 K C 0.401 176.933 176.600 -0.113 0.000 1.047 1289 K CA 1.601 57.836 56.287 -0.087 0.000 0.942 1289 K CB -0.304 32.177 32.500 -0.032 0.000 0.739 1289 K HN 0.341 nan 8.250 nan 0.000 0.457 1290 D N 1.090 121.401 120.400 -0.149 0.000 2.340 1290 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 1290 D C 0.395 176.588 176.300 -0.179 0.000 1.039 1290 D CA 0.180 54.103 54.000 -0.130 0.000 0.866 1290 D CB 0.122 40.870 40.800 -0.086 0.000 0.913 1290 D HN 0.213 nan 8.370 nan 0.000 0.523 1291 L N 1.592 122.647 121.223 -0.280 0.000 2.456 1291 L HA 0.073 4.412 4.340 -0.000 0.000 0.272 1291 L C 1.254 178.031 176.870 -0.155 0.000 1.189 1291 L CA -0.081 54.592 54.840 -0.278 0.000 0.846 1291 L CB 0.567 42.384 42.059 -0.403 0.000 1.111 1291 L HN -0.044 nan 8.230 nan 0.000 0.475 1292 T N -2.305 112.182 114.554 -0.111 0.000 2.904 1292 T HA 0.125 4.475 4.350 -0.000 0.000 0.290 1292 T C 0.654 175.315 174.700 -0.065 0.000 1.018 1292 T CA -0.779 61.279 62.100 -0.070 0.000 1.075 1292 T CB 1.182 70.023 68.868 -0.045 0.000 0.986 1292 T HN 0.553 nan 8.240 nan 0.000 0.523 1293 D N 1.174 121.544 120.400 -0.049 0.000 2.190 1293 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 1293 D C 2.321 178.599 176.300 -0.037 0.000 0.992 1293 D CA 2.016 55.991 54.000 -0.041 0.000 0.854 1293 D CB -0.256 40.526 40.800 -0.030 0.000 0.936 1293 D HN 0.738 nan 8.370 nan 0.000 0.462 1294 S N 0.473 116.154 115.700 -0.031 0.000 2.368 1294 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 1294 S C 1.862 176.447 174.600 -0.025 0.000 1.030 1294 S CA 1.163 59.349 58.200 -0.023 0.000 0.999 1294 S CB -0.588 62.603 63.200 -0.015 0.000 0.844 1294 S HN 0.533 nan 8.310 nan 0.000 0.459 1295 Q N 0.584 120.364 119.800 -0.034 0.000 2.402 1295 Q HA 0.211 4.551 4.340 -0.000 0.000 0.206 1295 Q C 2.249 178.216 176.000 -0.055 0.000 0.919 1295 Q CA 0.199 55.982 55.803 -0.034 0.000 0.923 1295 Q CB -0.248 28.472 28.738 -0.029 0.000 1.048 1295 Q HN 0.632 nan 8.270 nan 0.000 0.515 1296 R N 1.492 121.949 120.500 -0.072 0.000 2.062 1296 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 1296 R C 1.637 177.911 176.300 -0.044 0.000 1.125 1296 R CA 1.487 57.540 56.100 -0.078 0.000 0.966 1296 R CB 0.133 30.383 30.300 -0.082 0.000 0.861 1296 R HN 0.308 nan 8.270 nan 0.000 0.433 1297 E N 0.080 120.256 120.200 -0.040 0.000 2.152 1297 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 1297 E C 1.901 178.481 176.600 -0.033 0.000 0.983 1297 E CA 0.900 57.276 56.400 -0.040 0.000 0.818 1297 E CB -0.000 29.676 29.700 -0.039 0.000 0.758 1297 E HN 0.463 nan 8.360 nan 0.000 0.467 1298 A N 1.131 123.936 122.820 -0.024 0.000 1.930 1298 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 1298 A C 2.141 179.728 177.584 0.005 0.000 1.175 1298 A CA 0.991 53.020 52.037 -0.013 0.000 0.627 1298 A CB -0.422 18.568 19.000 -0.016 0.000 0.815 1298 A HN 0.106 nan 8.150 nan 0.000 0.443 1299 L N -1.144 120.082 121.223 0.006 0.000 2.049 1299 L HA -0.103 4.237 4.340 -0.000 0.000 0.203 1299 L C 2.396 179.322 176.870 0.093 0.000 1.074 1299 L CA 1.589 56.458 54.840 0.049 0.000 0.749 1299 L CB -0.636 41.456 42.059 0.054 0.000 0.907 1299 L HN 0.378 nan 8.230 nan 0.000 0.439 1300 D N 0.187 120.607 120.400 0.035 0.000 2.149 1300 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 1300 D C 2.100 178.354 176.300 -0.077 0.000 0.990 1300 D CA 1.391 55.396 54.000 0.008 0.000 0.839 1300 D CB 0.004 40.793 40.800 -0.018 0.000 0.948 1300 D HN 0.244 nan 8.370 nan 0.000 0.460 1301 G N -1.230 107.530 108.800 -0.066 0.000 2.408 1301 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 1301 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 1301 G C 1.485 176.376 174.900 -0.015 0.000 1.150 1301 G CA 0.774 45.812 45.100 -0.102 0.000 0.776 1301 G HN 0.360 nan 8.290 nan 0.000 0.542 1302 Y N 2.034 122.305 120.300 -0.048 0.000 2.114 1302 Y HA -0.029 4.521 4.550 -0.000 0.000 0.284 1302 Y C 2.931 178.924 175.900 0.156 0.000 1.143 1302 Y CA 1.522 59.635 58.100 0.021 0.000 1.135 1302 Y CB -0.507 37.928 38.460 -0.043 0.000 0.980 1302 Y HN 0.233 nan 8.280 nan 0.000 0.499 1303 A N 0.629 123.545 122.820 0.160 0.000 1.940 1303 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 1303 A C 2.267 179.952 177.584 0.169 0.000 1.176 1303 A CA 1.728 53.844 52.037 0.132 0.000 0.631 1303 A CB -0.606 18.498 19.000 0.174 0.000 0.814 1303 A HN 0.557 nan 8.150 nan 0.000 0.446 1304 R N -0.804 119.710 120.500 0.023 0.000 2.127 1304 R HA -0.104 4.236 4.340 -0.000 0.000 0.219 1304 R C 1.707 178.028 176.300 0.034 0.000 1.133 1304 R CA 1.710 57.780 56.100 -0.050 0.000 0.890 1304 R CB -0.279 29.745 30.300 -0.460 0.000 0.804 1304 R HN 0.740 nan 8.270 nan 0.000 0.443 1305 Q N -1.047 118.664 119.800 -0.148 0.000 1.988 1305 Q HA 0.080 4.419 4.340 -0.000 0.000 0.202 1305 Q C 0.015 175.716 176.000 -0.498 0.000 0.760 1305 Q CA 0.051 55.635 55.803 -0.366 0.000 0.940 1305 Q CB 0.480 29.085 28.738 -0.221 0.000 1.214 1305 Q HN 0.157 nan 8.270 nan 0.000 0.432 1306 D N 1.215 121.433 120.400 -0.304 0.000 2.224 1306 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 1306 D C 1.744 177.920 176.300 -0.207 0.000 0.965 1306 D CA 1.351 55.233 54.000 -0.196 0.000 0.852 1306 D CB -0.417 40.354 40.800 -0.049 0.000 0.947 1306 D HN 0.481 nan 8.370 nan 0.000 0.494 1307 Y N 1.478 121.578 120.300 -0.333 0.000 2.181 1307 Y HA -0.197 4.353 4.550 -0.001 0.000 0.284 1307 Y C 1.824 177.661 175.900 -0.106 0.000 1.179 1307 Y CA 1.091 58.886 58.100 -0.509 0.000 1.179 1307 Y CB -0.831 36.934 38.460 -1.158 0.000 0.973 1307 Y HN -0.156 nan 8.280 nan 0.000 0.519 1308 K N 0.177 120.269 120.400 -0.514 0.000 2.032 1308 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 1308 K C 1.984 178.562 176.600 -0.036 0.000 1.048 1308 K CA 1.719 57.885 56.287 -0.202 0.000 0.927 1308 K CB -0.150 32.134 32.500 -0.360 0.000 0.712 1308 K HN 0.373 nan 8.250 nan 0.000 0.441 1309 E N 0.815 120.972 120.200 -0.071 0.000 2.107 1309 E HA -0.093 4.256 4.350 -0.000 0.000 0.191 1309 E C 2.138 178.801 176.600 0.106 0.000 0.982 1309 E CA 0.855 57.258 56.400 0.006 0.000 0.809 1309 E CB -0.177 29.498 29.700 -0.041 0.000 0.756 1309 E HN 0.351 nan 8.360 nan 0.000 0.459 1310 I N 1.925 122.586 120.570 0.151 0.000 2.113 1310 I HA -0.269 3.900 4.170 -0.000 0.000 0.238 1310 I C 2.022 178.355 176.117 0.360 0.000 1.070 1310 I CA 0.989 62.457 61.300 0.280 0.000 1.332 1310 I CB -0.424 37.790 38.000 0.356 0.000 1.044 1310 I HN 0.040 nan 8.210 nan 0.000 0.402 1311 N N 1.105 120.019 118.700 0.358 0.000 2.149 1311 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 1311 N C 1.661 177.299 175.510 0.212 0.000 1.019 1311 N CA 1.264 54.504 53.050 0.316 0.000 0.857 1311 N CB -0.822 37.855 38.487 0.317 0.000 0.997 1311 N HN 0.436 nan 8.380 nan 0.000 0.426 1312 N N 0.893 119.706 118.700 0.188 0.000 2.104 1312 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 1312 N C 1.739 177.345 175.510 0.161 0.000 1.024 1312 N CA 0.969 54.104 53.050 0.142 0.000 0.853 1312 N CB -0.404 38.154 38.487 0.119 0.000 1.008 1312 N HN 0.266 nan 8.380 nan 0.000 0.424 1313 Y N 1.356 121.699 120.300 0.072 0.000 2.207 1313 Y HA -0.086 4.463 4.550 -0.000 0.000 0.287 1313 Y C 2.229 178.162 175.900 0.056 0.000 1.156 1313 Y CA 1.407 59.543 58.100 0.060 0.000 1.182 1313 Y CB -0.343 38.159 38.460 0.069 0.000 0.979 1313 Y HN 0.072 nan 8.280 nan 0.000 0.521 1314 L N -0.787 120.440 121.223 0.008 0.000 2.127 1314 L HA -0.057 4.282 4.340 -0.000 0.000 0.203 1314 L C 2.406 179.227 176.870 -0.082 0.000 1.080 1314 L CA 0.952 55.731 54.840 -0.103 0.000 0.768 1314 L CB -0.400 41.667 42.059 0.014 0.000 0.924 1314 L HN -0.019 nan 8.230 nan 0.000 0.444 1315 R N 0.005 120.500 120.500 -0.008 0.000 2.235 1315 R HA 0.029 4.368 4.340 -0.000 0.000 0.213 1315 R C -0.141 176.143 176.300 -0.027 0.000 1.059 1315 R CA 0.485 56.578 56.100 -0.012 0.000 0.997 1315 R CB -0.096 30.221 30.300 0.028 0.000 0.884 1315 R HN 0.355 nan 8.270 nan 0.000 0.462 1316 N N 0.351 119.032 118.700 -0.031 0.000 2.352 1316 N HA 0.089 4.828 4.740 -0.000 0.000 0.291 1316 N C -0.267 175.199 175.510 -0.074 0.000 1.040 1316 N CA -0.389 52.643 53.050 -0.031 0.000 0.864 1316 N CB 1.999 40.493 38.487 0.011 0.000 1.440 1316 N HN -0.089 nan 8.380 nan 0.000 0.483 1317 Q N -0.067 119.687 119.800 -0.076 0.000 2.261 1317 Q HA -0.161 4.179 4.340 -0.000 0.000 0.155 1317 Q C 0.251 176.140 176.000 -0.184 0.000 0.598 1317 Q CA 1.491 57.235 55.803 -0.098 0.000 1.376 1317 Q CB -1.642 27.061 28.738 -0.058 0.000 1.356 1317 Q HN 1.148 nan 8.270 nan 0.000 0.947 1318 G N 0.946 109.599 108.800 -0.244 0.000 2.256 1318 G HA2 0.110 4.070 3.960 -0.000 0.000 0.218 1318 G HA3 0.110 4.070 3.960 -0.000 0.000 0.218 1318 G C 0.734 175.415 174.900 -0.364 0.000 0.485 1318 G CA 1.400 46.327 45.100 -0.288 0.000 1.003 1318 G HN 1.503 nan 8.290 nan 0.000 0.360 1319 G N 0.767 109.147 108.800 -0.700 0.000 2.392 1319 G HA2 0.074 4.033 3.960 -0.000 0.000 0.290 1319 G HA3 0.074 4.033 3.960 -0.000 0.000 0.290 1319 G C 0.961 175.739 174.900 -0.204 0.000 1.032 1319 G CA 1.030 45.836 45.100 -0.490 0.000 1.269 1319 G HN 2.010 nan 8.290 nan 0.000 0.511 1320 S N -0.160 115.438 115.700 -0.169 0.000 2.081 1320 S HA 0.507 4.976 4.470 -0.000 0.000 0.167 1320 S C 1.944 176.678 174.600 0.223 0.000 1.409 1320 S CA 1.473 59.760 58.200 0.144 0.000 2.079 1320 S CB 0.107 63.483 63.200 0.294 0.000 0.384 1320 S HN 1.710 nan 8.310 nan 0.000 0.360 1321 G N 1.164 110.094 108.800 0.216 0.000 4.144 1321 G HA2 0.242 4.202 3.960 -0.000 0.000 0.297 1321 G HA3 0.242 4.202 3.960 -0.000 0.000 0.297 1321 G C -0.283 174.667 174.900 0.084 0.000 1.090 1321 G CA -0.456 44.721 45.100 0.128 0.000 0.870 1321 G HN 0.633 nan 8.290 nan 0.000 0.532 1322 N N 0.849 119.589 118.700 0.068 0.000 2.521 1322 N HA 0.100 4.840 4.740 -0.000 0.000 0.236 1322 N C 1.105 176.572 175.510 -0.072 0.000 1.067 1322 N CA -0.512 52.487 53.050 -0.084 0.000 0.939 1322 N CB 0.585 38.888 38.487 -0.305 0.000 1.201 1322 N HN -0.015 nan 8.380 nan 0.000 0.511 1323 E N 2.696 122.881 120.200 -0.024 0.000 2.171 1323 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 1323 E C 1.057 177.639 176.600 -0.030 0.000 0.997 1323 E CA 1.340 57.735 56.400 -0.008 0.000 0.810 1323 E CB 0.113 29.812 29.700 -0.002 0.000 0.738 1323 E HN 0.668 nan 8.360 nan 0.000 0.467 1324 K N 0.448 120.812 120.400 -0.059 0.000 2.026 1324 K HA -0.047 4.272 4.320 -0.000 0.000 0.208 1324 K C 2.456 179.007 176.600 -0.081 0.000 1.048 1324 K CA 0.902 57.151 56.287 -0.063 0.000 0.929 1324 K CB -0.210 32.247 32.500 -0.072 0.000 0.713 1324 K HN 0.082 nan 8.250 nan 0.000 0.439 1325 L N 1.212 122.338 121.223 -0.161 0.000 2.027 1325 L HA -0.212 4.127 4.340 -0.000 0.000 0.206 1325 L C 1.919 178.762 176.870 -0.044 0.000 1.074 1325 L CA 1.145 55.870 54.840 -0.191 0.000 0.745 1325 L CB -0.590 41.122 42.059 -0.578 0.000 0.898 1325 L HN 0.166 nan 8.230 nan 0.000 0.433 1326 D N 0.448 120.847 120.400 -0.002 0.000 2.133 1326 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 1326 D C 2.180 178.521 176.300 0.069 0.000 0.997 1326 D CA 1.639 55.700 54.000 0.102 0.000 0.840 1326 D CB -0.150 40.710 40.800 0.101 0.000 0.947 1326 D HN 0.356 nan 8.370 nan 0.000 0.452 1327 A N 0.571 123.409 122.820 0.030 0.000 1.858 1327 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 1327 A C 2.172 179.772 177.584 0.028 0.000 1.190 1327 A CA 2.002 54.053 52.037 0.024 0.000 0.617 1327 A CB -0.817 18.186 19.000 0.005 0.000 0.827 1327 A HN 0.287 nan 8.150 nan 0.000 0.443 1328 Q N -0.444 119.367 119.800 0.018 0.000 2.124 1328 Q HA -0.106 4.233 4.340 -0.000 0.000 0.202 1328 Q C 1.899 177.926 176.000 0.045 0.000 0.977 1328 Q CA 1.542 57.356 55.803 0.018 0.000 0.850 1328 Q CB -0.256 28.485 28.738 0.005 0.000 0.901 1328 Q HN 0.715 nan 8.270 nan 0.000 0.429 1329 I N 0.755 121.380 120.570 0.093 0.000 2.361 1329 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 1329 I C 2.517 178.726 176.117 0.153 0.000 1.133 1329 I CA 1.195 62.599 61.300 0.174 0.000 1.413 1329 I CB -0.305 37.841 38.000 0.243 0.000 1.073 1329 I HN 0.247 nan 8.210 nan 0.000 0.424 1330 K N 1.477 121.938 120.400 0.102 0.000 2.057 1330 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 1330 K C 1.708 178.352 176.600 0.073 0.000 1.050 1330 K CA 1.651 57.988 56.287 0.083 0.000 0.935 1330 K CB -0.115 32.421 32.500 0.060 0.000 0.715 1330 K HN 0.394 nan 8.250 nan 0.000 0.439 1331 N N 0.502 119.233 118.700 0.052 0.000 2.188 1331 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 1331 N C 1.931 177.468 175.510 0.044 0.000 1.018 1331 N CA 1.166 54.238 53.050 0.037 0.000 0.858 1331 N CB -0.071 38.424 38.487 0.014 0.000 0.989 1331 N HN 0.173 nan 8.380 nan 0.000 0.426 1332 I N 0.696 121.283 120.570 0.028 0.000 2.142 1332 I HA -0.231 3.938 4.170 -0.000 0.000 0.240 1332 I C 2.167 178.343 176.117 0.099 0.000 1.078 1332 I CA 1.030 62.320 61.300 -0.016 0.000 1.343 1332 I CB -0.306 37.552 38.000 -0.237 0.000 1.046 1332 I HN 0.052 nan 8.210 nan 0.000 0.405 1333 S N 0.409 116.217 115.700 0.180 0.000 2.399 1333 S HA -0.180 4.289 4.470 -0.000 0.000 0.231 1333 S C 1.525 176.212 174.600 0.144 0.000 1.022 1333 S CA 1.340 59.659 58.200 0.198 0.000 0.983 1333 S CB -0.348 62.953 63.200 0.168 0.000 0.803 1333 S HN 0.417 nan 8.310 nan 0.000 0.480 1334 D N 1.812 122.284 120.400 0.121 0.000 2.117 1334 D HA 0.020 4.660 4.640 -0.000 0.000 0.198 1334 D C 2.162 178.557 176.300 0.159 0.000 0.982 1334 D CA 1.249 55.316 54.000 0.112 0.000 0.828 1334 D CB -0.510 40.338 40.800 0.081 0.000 0.967 1334 D HN 0.384 nan 8.370 nan 0.000 0.464 1335 A N 0.626 123.556 122.820 0.184 0.000 1.930 1335 A HA -0.085 4.234 4.320 -0.000 0.000 0.217 1335 A C 2.291 180.169 177.584 0.491 0.000 1.175 1335 A CA 0.804 53.031 52.037 0.317 0.000 0.627 1335 A CB -0.737 18.415 19.000 0.254 0.000 0.815 1335 A HN 0.220 nan 8.150 nan 0.000 0.443 1336 L N -0.887 120.521 121.223 0.307 0.000 2.362 1336 L HA -0.057 4.282 4.340 -0.000 0.000 0.219 1336 L C 2.399 179.353 176.870 0.140 0.000 1.134 1336 L CA 0.775 55.732 54.840 0.194 0.000 0.807 1336 L CB -0.386 41.760 42.059 0.145 0.000 0.927 1336 L HN 0.506 nan 8.230 nan 0.000 0.447 1337 G N -1.153 107.746 108.800 0.164 0.000 2.887 1337 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.211 1337 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.211 1337 G C 1.562 176.543 174.900 0.135 0.000 1.152 1337 G CA -0.216 44.957 45.100 0.120 0.000 0.769 1337 G HN 0.031 nan 8.290 nan 0.000 0.541 1338 K N 0.370 120.900 120.400 0.216 0.000 2.063 1338 K HA -0.076 4.243 4.320 -0.000 0.000 0.208 1338 K C 0.916 177.617 176.600 0.168 0.000 1.048 1338 K CA 0.902 57.326 56.287 0.229 0.000 0.928 1338 K CB -0.032 32.695 32.500 0.377 0.000 0.713 1338 K HN 0.343 nan 8.250 nan 0.000 0.442 1339 K N 1.325 121.796 120.400 0.119 0.000 2.656 1339 K HA 0.194 4.514 4.320 -0.000 0.000 0.241 1339 K C -2.721 173.881 176.600 0.002 0.000 0.967 1339 K CA -1.732 54.551 56.287 -0.006 0.000 0.946 1339 K CB 1.745 34.147 32.500 -0.163 0.000 1.164 1339 K HN -0.190 nan 8.250 nan 0.000 0.459 1340 P HA -0.021 nan 4.420 nan 0.000 0.269 1340 P C 0.162 177.519 177.300 0.095 0.000 1.215 1340 P CA -0.394 62.741 63.100 0.058 0.000 0.780 1340 P CB 0.568 32.292 31.700 0.041 0.000 0.898 1341 I N 4.755 125.412 120.570 0.144 0.000 2.845 1341 I HA -0.098 4.072 4.170 -0.000 0.000 0.290 1341 I C -0.487 175.727 176.117 0.162 0.000 1.202 1341 I CA -1.120 60.309 61.300 0.215 0.000 1.406 1341 I CB -0.378 37.725 38.000 0.172 0.000 1.383 1341 I HN 0.349 nan 8.210 nan 0.000 0.549 1342 P HA -0.128 nan 4.420 nan 0.000 0.222 1342 P C 0.027 177.415 177.300 0.147 0.000 1.147 1342 P CA 1.259 64.428 63.100 0.115 0.000 0.790 1342 P CB 0.474 32.207 31.700 0.054 0.000 0.780 1343 E N -2.024 118.298 120.200 0.203 0.000 2.429 1343 E HA 0.293 4.643 4.350 -0.000 0.000 0.280 1343 E C -1.060 175.594 176.600 0.090 0.000 1.068 1343 E CA -1.107 55.375 56.400 0.137 0.000 0.837 1343 E CB 0.053 29.850 29.700 0.162 0.000 1.357 1343 E HN -0.274 nan 8.360 nan 0.000 0.455 1344 N N 1.155 119.870 118.700 0.025 0.000 2.483 1344 N HA 0.293 5.033 4.740 -0.000 0.000 0.264 1344 N C -0.119 175.347 175.510 -0.072 0.000 1.197 1344 N CA 0.333 53.373 53.050 -0.018 0.000 0.927 1344 N CB 0.281 38.746 38.487 -0.036 0.000 1.065 1344 N HN 0.510 nan 8.380 nan 0.000 0.461 1345 I N -2.707 117.811 120.570 -0.088 0.000 3.095 1345 I HA 0.551 4.721 4.170 -0.000 0.000 0.310 1345 I C -0.703 175.328 176.117 -0.143 0.000 1.196 1345 I CA -0.845 60.359 61.300 -0.160 0.000 0.985 1345 I CB 2.427 40.294 38.000 -0.223 0.000 1.250 1345 I HN 0.059 nan 8.210 nan 0.000 0.446 1346 T N 3.291 117.747 114.554 -0.162 0.000 2.797 1346 T HA 0.652 5.001 4.350 -0.000 0.000 0.279 1346 T C -0.263 174.294 174.700 -0.240 0.000 0.991 1346 T CA -0.523 61.445 62.100 -0.219 0.000 0.979 1346 T CB 1.709 70.446 68.868 -0.219 0.000 0.943 1346 T HN 0.679 nan 8.240 nan 0.000 0.444 1347 V N 0.969 120.671 119.914 -0.352 0.000 3.074 1347 V HA 0.841 4.960 4.120 -0.000 0.000 0.314 1347 V C -1.875 173.919 176.094 -0.500 0.000 1.117 1347 V CA -1.159 60.994 62.300 -0.246 0.000 1.014 1347 V CB 1.599 33.378 31.823 -0.073 0.000 1.057 1347 V HN 0.799 nan 8.190 nan 0.000 0.438 1348 Y N 0.599 120.931 120.300 0.053 0.000 2.536 1348 Y HA 0.855 5.405 4.550 -0.000 0.000 0.347 1348 Y C 0.143 176.085 175.900 0.070 0.000 1.000 1348 Y CA -0.786 57.348 58.100 0.056 0.000 1.051 1348 Y CB 2.250 40.793 38.460 0.139 0.000 1.259 1348 Y HN 0.813 nan 8.280 nan 0.000 0.468 1349 R N 1.751 122.338 120.500 0.146 0.000 2.510 1349 R HA 0.286 4.626 4.340 -0.000 0.000 0.287 1349 R C -2.319 173.970 176.300 -0.018 0.000 1.084 1349 R CA -0.659 55.500 56.100 0.098 0.000 0.934 1349 R CB 0.963 31.299 30.300 0.061 0.000 1.201 1349 R HN 0.779 nan 8.270 nan 0.000 0.431 1350 W N 4.572 125.715 121.300 -0.260 0.000 2.335 1350 W HA 0.362 5.022 4.660 -0.000 0.000 0.306 1350 W C -0.181 176.177 176.519 -0.269 0.000 1.216 1350 W CA -0.086 57.049 57.345 -0.350 0.000 1.237 1350 W CB 1.034 30.051 29.460 -0.738 0.000 1.243 1350 W HN 0.366 nan 8.180 nan 0.000 0.493 1351 C N 2.883 122.192 119.300 0.015 0.000 2.435 1351 C HA 0.865 5.324 4.460 -0.000 0.000 0.333 1351 C C 1.077 176.122 174.990 0.093 0.000 1.202 1351 C CA -0.797 58.276 59.018 0.092 0.000 1.830 1351 C CB 0.795 28.678 27.740 0.238 0.000 2.326 1351 C HN 0.835 nan 8.230 nan 0.000 0.507 1352 G N 1.557 110.438 108.800 0.134 0.000 2.504 1352 G HA2 0.417 4.377 3.960 -0.000 0.000 0.288 1352 G HA3 0.417 4.377 3.960 -0.000 0.000 0.288 1352 G C 0.781 175.791 174.900 0.184 0.000 1.182 1352 G CA -0.493 44.684 45.100 0.129 0.000 0.894 1352 G HN 0.660 nan 8.290 nan 0.000 0.521 1353 M N 0.749 120.447 119.600 0.163 0.000 2.108 1353 M HA -0.068 4.411 4.480 -0.000 0.000 0.261 1353 M C -0.161 176.332 176.300 0.321 0.000 1.066 1353 M CA 1.611 57.062 55.300 0.251 0.000 1.107 1353 M CB -1.794 30.922 32.600 0.193 0.000 1.356 1353 M HN 0.282 nan 8.290 nan 0.000 0.406 1354 P HA -0.154 nan 4.420 nan 0.000 0.220 1354 P C 1.279 178.680 177.300 0.168 0.000 1.148 1354 P CA 1.117 64.321 63.100 0.173 0.000 0.803 1354 P CB -0.174 31.600 31.700 0.122 0.000 0.782 1355 E N -1.351 118.978 120.200 0.215 0.000 2.265 1355 E HA -0.134 4.215 4.350 -0.000 0.000 0.196 1355 E C 0.453 177.103 176.600 0.083 0.000 0.996 1355 E CA 0.800 57.297 56.400 0.162 0.000 0.832 1355 E CB -0.281 29.556 29.700 0.228 0.000 0.756 1355 E HN 0.199 nan 8.360 nan 0.000 0.491 1356 F N -0.604 119.428 119.950 0.138 0.000 2.708 1356 F HA 0.353 4.880 4.527 -0.001 0.000 0.300 1356 F C 1.164 177.040 175.800 0.127 0.000 1.118 1356 F CA 0.341 58.442 58.000 0.169 0.000 1.307 1356 F CB 1.227 40.312 39.000 0.142 0.000 0.986 1356 F HN 0.103 nan 8.300 nan 0.000 0.522 1357 G N -0.458 108.404 108.800 0.104 0.000 2.143 1357 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.248 1357 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.248 1357 G C -0.135 174.620 174.900 -0.242 0.000 0.991 1357 G CA -0.067 44.970 45.100 -0.106 0.000 0.689 1357 G HN 0.384 nan 8.290 nan 0.000 0.522 1358 Y N -0.337 120.075 120.300 0.187 0.000 2.602 1358 Y HA 0.653 5.203 4.550 -0.001 0.000 0.330 1358 Y C 0.937 176.898 175.900 0.102 0.000 1.114 1358 Y CA -0.976 57.208 58.100 0.140 0.000 1.182 1358 Y CB 0.917 39.471 38.460 0.157 0.000 1.305 1358 Y HN 0.171 nan 8.280 nan 0.000 0.502 1359 Q N 0.697 120.648 119.800 0.252 0.000 2.260 1359 Q HA 0.292 4.631 4.340 -0.000 0.000 0.242 1359 Q C 0.884 176.964 176.000 0.134 0.000 0.932 1359 Q CA -0.339 55.554 55.803 0.151 0.000 0.891 1359 Q CB 1.488 30.293 28.738 0.110 0.000 1.222 1359 Q HN 0.701 nan 8.270 nan 0.000 0.453 1360 I N 0.624 121.254 120.570 0.100 0.000 2.248 1360 I HA -0.344 3.825 4.170 -0.000 0.000 0.248 1360 I C 2.172 178.323 176.117 0.055 0.000 1.107 1360 I CA 1.727 63.075 61.300 0.079 0.000 1.373 1360 I CB -0.376 37.663 38.000 0.066 0.000 1.055 1360 I HN 0.643 nan 8.210 nan 0.000 0.418 1361 S N -0.972 114.759 115.700 0.052 0.000 2.522 1361 S HA -0.004 4.465 4.470 -0.000 0.000 0.227 1361 S C 0.607 175.223 174.600 0.027 0.000 0.986 1361 S CA -0.105 58.115 58.200 0.034 0.000 0.929 1361 S CB -0.468 62.752 63.200 0.033 0.000 0.769 1361 S HN 0.245 nan 8.310 nan 0.000 0.529 1362 D N 4.301 124.727 120.400 0.044 0.000 2.414 1362 D HA 0.288 4.928 4.640 -0.000 0.000 0.242 1362 D C -2.108 174.168 176.300 -0.040 0.000 1.129 1362 D CA -1.274 52.743 54.000 0.028 0.000 0.885 1362 D CB 0.762 41.616 40.800 0.089 0.000 1.198 1362 D HN 0.280 nan 8.370 nan 0.000 0.437 1363 P HA 0.177 nan 4.420 nan 0.000 0.276 1363 P C -0.061 177.109 177.300 -0.217 0.000 1.244 1363 P CA -0.559 62.470 63.100 -0.118 0.000 0.801 1363 P CB 1.081 32.733 31.700 -0.080 0.000 1.006 1364 L N 3.141 124.177 121.223 -0.312 0.000 2.499 1364 L HA 0.141 4.480 4.340 -0.000 0.000 0.273 1364 L C -1.200 175.495 176.870 -0.292 0.000 1.195 1364 L CA -1.369 53.183 54.840 -0.481 0.000 0.882 1364 L CB -0.217 41.339 42.059 -0.837 0.000 1.133 1364 L HN 0.344 nan 8.230 nan 0.000 0.483 1365 P HA 0.082 nan 4.420 nan 0.000 0.275 1365 P C -0.574 176.812 177.300 0.144 0.000 1.266 1365 P CA -0.583 62.525 63.100 0.013 0.000 0.793 1365 P CB 0.689 32.459 31.700 0.117 0.000 1.074 1366 S N -0.229 115.559 115.700 0.148 0.000 2.584 1366 S HA 0.071 4.541 4.470 -0.000 0.000 0.270 1366 S C 1.654 176.376 174.600 0.203 0.000 1.346 1366 S CA -0.554 57.740 58.200 0.157 0.000 1.018 1366 S CB -0.224 63.032 63.200 0.092 0.000 0.899 1366 S HN 0.374 nan 8.310 nan 0.000 0.542 1367 L N 0.979 122.259 121.223 0.096 0.000 2.079 1367 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 1367 L C 2.810 179.722 176.870 0.070 0.000 1.081 1367 L CA 1.882 56.702 54.840 -0.033 0.000 0.752 1367 L CB -0.571 41.379 42.059 -0.182 0.000 0.896 1367 L HN 0.883 nan 8.230 nan 0.000 0.433 1368 K N 0.129 120.560 120.400 0.053 0.000 2.026 1368 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 1368 K C 1.661 178.314 176.600 0.089 0.000 1.048 1368 K CA 1.909 58.223 56.287 0.044 0.000 0.929 1368 K CB -0.005 32.508 32.500 0.021 0.000 0.713 1368 K HN 0.241 nan 8.250 nan 0.000 0.439 1369 D N -0.103 120.374 120.400 0.129 0.000 2.144 1369 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 1369 D C 1.674 178.109 176.300 0.226 0.000 0.978 1369 D CA 0.787 54.877 54.000 0.150 0.000 0.833 1369 D CB -0.207 40.688 40.800 0.158 0.000 0.961 1369 D HN 0.201 nan 8.370 nan 0.000 0.470 1370 F N 2.001 122.058 119.950 0.178 0.000 2.134 1370 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 1370 F C 2.190 178.142 175.800 0.254 0.000 1.097 1370 F CA 1.358 59.534 58.000 0.295 0.000 1.264 1370 F CB 0.101 39.247 39.000 0.244 0.000 1.001 1370 F HN -0.114 nan 8.300 nan 0.000 0.479 1371 E N -0.046 120.312 120.200 0.264 0.000 2.077 1371 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 1371 E C 1.998 178.612 176.600 0.024 0.000 0.989 1371 E CA 1.489 57.967 56.400 0.131 0.000 0.800 1371 E CB -0.314 29.428 29.700 0.070 0.000 0.746 1371 E HN 0.593 nan 8.360 nan 0.000 0.452 1372 E N 0.551 120.758 120.200 0.012 0.000 2.204 1372 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 1372 E C 2.052 178.582 176.600 -0.116 0.000 0.990 1372 E CA 0.882 57.259 56.400 -0.039 0.000 0.821 1372 E CB 0.004 29.692 29.700 -0.019 0.000 0.750 1372 E HN 0.098 nan 8.360 nan 0.000 0.477 1373 Q N -0.409 119.290 119.800 -0.169 0.000 2.204 1373 Q HA -0.006 4.334 4.340 -0.000 0.000 0.198 1373 Q C 1.040 176.630 176.000 -0.684 0.000 0.946 1373 Q CA 1.207 56.753 55.803 -0.428 0.000 0.859 1373 Q CB 0.231 28.683 28.738 -0.477 0.000 0.946 1373 Q HN 0.229 nan 8.270 nan 0.000 0.474 1374 F N -1.290 118.496 119.950 -0.275 0.000 2.778 1374 F HA 0.289 4.815 4.527 -0.000 0.000 0.314 1374 F C 0.158 175.867 175.800 -0.151 0.000 1.073 1374 F CA -0.765 57.092 58.000 -0.240 0.000 1.218 1374 F CB 0.415 39.212 39.000 -0.338 0.000 1.037 1374 F HN -0.028 nan 8.300 nan 0.000 0.594 1375 L N 2.073 123.326 121.223 0.051 0.000 2.525 1375 L HA 0.068 4.408 4.340 -0.000 0.000 0.278 1375 L C 0.767 177.583 176.870 -0.090 0.000 1.218 1375 L CA 0.172 55.008 54.840 -0.006 0.000 0.878 1375 L CB -0.124 41.932 42.059 -0.005 0.000 1.127 1375 L HN 0.303 nan 8.230 nan 0.000 0.492 1376 N N 0.972 119.558 118.700 -0.191 0.000 2.714 1376 N HA -0.197 4.542 4.740 -0.000 0.000 0.250 1376 N C -0.043 175.327 175.510 -0.233 0.000 1.117 1376 N CA 1.209 54.121 53.050 -0.230 0.000 0.719 1376 N CB -1.580 36.899 38.487 -0.014 0.000 1.081 1376 N HN 0.931 nan 8.380 nan 0.000 0.557 1377 T N -2.695 111.704 114.554 -0.258 0.000 2.948 1377 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 1377 T C 0.268 174.868 174.700 -0.167 0.000 1.019 1377 T CA -0.875 61.130 62.100 -0.159 0.000 1.013 1377 T CB 2.169 70.958 68.868 -0.133 0.000 1.117 1377 T HN 0.005 nan 8.240 nan 0.000 0.533 1378 I N 1.598 122.103 120.570 -0.108 0.000 2.339 1378 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 1378 I C 0.227 176.226 176.117 -0.197 0.000 0.994 1378 I CA -0.727 60.509 61.300 -0.106 0.000 1.191 1378 I CB 1.268 39.235 38.000 -0.054 0.000 1.343 1378 I HN 0.794 nan 8.210 nan 0.000 0.458 1379 K N 6.202 126.382 120.400 -0.367 0.000 2.183 1379 K HA 0.469 4.789 4.320 -0.000 0.000 0.274 1379 K C -0.473 175.802 176.600 -0.542 0.000 1.009 1379 K CA -0.395 55.588 56.287 -0.506 0.000 0.888 1379 K CB 1.434 33.470 32.500 -0.774 0.000 1.078 1379 K HN 0.563 nan 8.250 nan 0.000 0.459 1380 E N 2.092 122.085 120.200 -0.344 0.000 2.299 1380 E HA 0.213 4.563 4.350 -0.000 0.000 0.265 1380 E C -1.507 174.977 176.600 -0.193 0.000 0.911 1380 E CA -0.983 55.270 56.400 -0.246 0.000 0.789 1380 E CB 1.976 31.577 29.700 -0.166 0.000 1.246 1380 E HN 0.461 nan 8.360 nan 0.000 0.427 1381 D N 0.833 121.153 120.400 -0.134 0.000 2.602 1381 D HA 0.138 4.777 4.640 -0.000 0.000 0.245 1381 D C 0.052 176.304 176.300 -0.080 0.000 1.325 1381 D CA -0.474 53.476 54.000 -0.084 0.000 0.952 1381 D CB 1.322 42.099 40.800 -0.038 0.000 1.317 1381 D HN 0.160 nan 8.370 nan 0.000 0.577 1382 K N 2.259 122.613 120.400 -0.076 0.000 2.211 1382 K HA 0.172 4.492 4.320 -0.000 0.000 0.203 1382 K C 0.938 177.477 176.600 -0.102 0.000 1.050 1382 K CA 0.978 57.210 56.287 -0.091 0.000 0.945 1382 K CB -0.182 32.269 32.500 -0.081 0.000 0.732 1382 K HN 0.472 nan 8.250 nan 0.000 0.451 1383 G N -1.590 107.187 108.800 -0.040 0.000 2.532 1383 G HA2 0.279 4.239 3.960 -0.000 0.000 0.291 1383 G HA3 0.279 4.239 3.960 -0.000 0.000 0.291 1383 G C -0.952 173.926 174.900 -0.036 0.000 1.349 1383 G CA -0.628 44.483 45.100 0.018 0.000 1.038 1383 G HN 0.078 nan 8.290 nan 0.000 0.518 1384 Y N -0.905 119.462 120.300 0.111 0.000 2.301 1384 Y HA 0.475 5.024 4.550 -0.000 0.000 0.328 1384 Y C 0.745 176.723 175.900 0.131 0.000 1.242 1384 Y CA -0.269 57.884 58.100 0.088 0.000 1.323 1384 Y CB 1.438 39.913 38.460 0.026 0.000 1.266 1384 Y HN 0.282 nan 8.280 nan 0.000 0.527 1385 M N 2.420 122.169 119.600 0.249 0.000 2.125 1385 M HA 0.353 4.833 4.480 -0.000 0.000 0.321 1385 M C -0.803 175.602 176.300 0.174 0.000 0.983 1385 M CA -0.386 55.029 55.300 0.190 0.000 0.934 1385 M CB 0.955 33.644 32.600 0.147 0.000 1.542 1385 M HN 0.634 nan 8.290 nan 0.000 0.424 1386 S N 3.500 119.295 115.700 0.160 0.000 2.513 1386 S HA 0.704 5.174 4.470 -0.000 0.000 0.276 1386 S C -0.293 174.367 174.600 0.100 0.000 1.254 1386 S CA -0.207 58.065 58.200 0.121 0.000 1.053 1386 S CB 0.589 63.835 63.200 0.076 0.000 0.958 1386 S HN 0.808 nan 8.310 nan 0.000 0.491 1387 T N 1.074 115.685 114.554 0.095 0.000 2.865 1387 T HA 0.725 5.074 4.350 -0.000 0.000 0.294 1387 T C -0.578 174.203 174.700 0.135 0.000 1.119 1387 T CA -0.809 61.355 62.100 0.106 0.000 1.007 1387 T CB 1.572 70.481 68.868 0.068 0.000 1.225 1387 T HN 0.528 nan 8.240 nan 0.000 0.515 1388 S N -0.391 115.424 115.700 0.193 0.000 2.548 1388 S HA 0.520 4.990 4.470 -0.000 0.000 0.286 1388 S C 0.787 175.546 174.600 0.266 0.000 1.098 1388 S CA -0.987 57.348 58.200 0.224 0.000 0.930 1388 S CB 1.076 64.436 63.200 0.267 0.000 1.070 1388 S HN 0.724 nan 8.310 nan 0.000 0.480 1389 L N 2.287 123.639 121.223 0.215 0.000 2.362 1389 L HA 0.113 4.453 4.340 -0.000 0.000 0.219 1389 L C 1.221 178.256 176.870 0.275 0.000 1.134 1389 L CA 0.595 55.544 54.840 0.183 0.000 0.807 1389 L CB -0.083 41.965 42.059 -0.019 0.000 0.927 1389 L HN 0.533 nan 8.230 nan 0.000 0.447 1390 S N -1.126 114.713 115.700 0.230 0.000 2.509 1390 S HA 0.238 4.708 4.470 -0.000 0.000 0.297 1390 S C 0.938 175.569 174.600 0.051 0.000 1.118 1390 S CA -0.484 57.792 58.200 0.126 0.000 1.074 1390 S CB 1.529 64.784 63.200 0.092 0.000 1.038 1390 S HN 0.220 nan 8.310 nan 0.000 0.498 1391 S N 2.404 117.907 115.700 -0.329 0.000 2.556 1391 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 1391 S C 0.429 175.119 174.600 0.151 0.000 0.970 1391 S CA -0.382 57.569 58.200 -0.414 0.000 0.912 1391 S CB -0.278 62.122 63.200 -1.334 0.000 0.790 1391 S HN 0.825 nan 8.310 nan 0.000 0.504 1392 E N 2.189 122.441 120.200 0.085 0.000 2.452 1392 E HA 0.008 4.357 4.350 -0.000 0.000 0.261 1392 E C -0.007 176.661 176.600 0.113 0.000 0.987 1392 E CA -0.196 56.258 56.400 0.090 0.000 0.926 1392 E CB 0.501 30.209 29.700 0.013 0.000 0.934 1392 E HN 0.365 nan 8.360 nan 0.000 0.452 1393 R N 4.515 125.009 120.500 -0.010 0.000 2.357 1393 R HA 0.313 4.653 4.340 -0.000 0.000 0.296 1393 R C -0.568 175.445 176.300 -0.478 0.000 1.052 1393 R CA -0.441 55.408 56.100 -0.418 0.000 0.988 1393 R CB 0.530 30.520 30.300 -0.517 0.000 1.025 1393 R HN 0.492 nan 8.270 nan 0.000 0.469 1394 L N 3.178 123.856 121.223 -0.908 0.000 2.334 1394 L HA 0.421 4.760 4.340 -0.000 0.000 0.270 1394 L C 1.383 177.829 176.870 -0.706 0.000 1.018 1394 L CA -0.678 53.641 54.840 -0.868 0.000 0.811 1394 L CB 1.678 43.026 42.059 -1.185 0.000 1.271 1394 L HN 0.831 nan 8.230 nan 0.000 0.443 1395 A N 1.638 124.203 122.820 -0.424 0.000 1.917 1395 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 1395 A C 2.137 179.595 177.584 -0.211 0.000 1.182 1395 A CA 2.115 53.999 52.037 -0.254 0.000 0.633 1395 A CB -0.730 18.167 19.000 -0.172 0.000 0.819 1395 A HN 0.885 nan 8.150 nan 0.000 0.448 1396 A N -1.532 121.127 122.820 -0.269 0.000 2.225 1396 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 1396 A C 1.471 179.162 177.584 0.178 0.000 1.164 1396 A CA 0.624 52.620 52.037 -0.067 0.000 0.710 1396 A CB -0.777 18.196 19.000 -0.044 0.000 0.780 1396 A HN 0.603 nan 8.150 nan 0.000 0.473 1397 F N -0.732 119.123 119.950 -0.159 0.000 2.664 1397 F HA 0.139 4.666 4.527 -0.000 0.000 0.301 1397 F C 2.168 177.905 175.800 -0.105 0.000 1.126 1397 F CA -0.288 57.609 58.000 -0.172 0.000 1.373 1397 F CB 0.026 38.724 39.000 -0.502 0.000 1.042 1397 F HN 0.357 nan 8.300 nan 0.000 0.535 1398 G N 0.607 109.464 108.800 0.094 0.000 2.529 1398 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.219 1398 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.219 1398 G C 1.473 176.421 174.900 0.080 0.000 1.177 1398 G CA 1.004 46.138 45.100 0.057 0.000 0.773 1398 G HN 0.309 nan 8.290 nan 0.000 0.573 1399 S N 0.461 116.214 115.700 0.087 0.000 2.660 1399 S HA 0.246 4.716 4.470 -0.000 0.000 0.227 1399 S C 0.581 175.232 174.600 0.086 0.000 0.948 1399 S CA -0.357 57.887 58.200 0.073 0.000 0.948 1399 S CB 0.184 63.419 63.200 0.060 0.000 0.779 1399 S HN 0.313 nan 8.310 nan 0.000 0.487 1400 R N 1.591 122.173 120.500 0.136 0.000 2.204 1400 R HA 0.278 4.617 4.340 -0.000 0.000 0.341 1400 R C 0.449 176.825 176.300 0.126 0.000 1.035 1400 R CA -0.168 56.017 56.100 0.142 0.000 0.887 1400 R CB 0.636 31.053 30.300 0.194 0.000 1.114 1400 R HN 0.200 nan 8.270 nan 0.000 0.473 1401 K N 1.850 122.243 120.400 -0.012 0.000 2.400 1401 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 1401 K C 0.427 176.866 176.600 -0.269 0.000 1.033 1401 K CA 0.709 56.916 56.287 -0.133 0.000 1.021 1401 K CB 0.410 32.787 32.500 -0.205 0.000 0.808 1401 K HN 0.434 nan 8.250 nan 0.000 0.505 1402 I N 1.739 122.143 120.570 -0.277 0.000 2.436 1402 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 1402 I C -0.627 175.214 176.117 -0.461 0.000 1.010 1402 I CA -0.828 60.208 61.300 -0.441 0.000 1.098 1402 I CB 1.905 39.534 38.000 -0.617 0.000 1.266 1402 I HN -0.129 nan 8.210 nan 0.000 0.434 1403 I N 6.755 126.968 120.570 -0.594 0.000 2.355 1403 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 1403 I C -0.562 175.298 176.117 -0.428 0.000 0.999 1403 I CA -0.731 60.143 61.300 -0.710 0.000 1.163 1403 I CB 1.675 38.998 38.000 -1.128 0.000 1.316 1403 I HN 0.343 nan 8.210 nan 0.000 0.454 1404 L N 7.591 128.653 121.223 -0.268 0.000 2.281 1404 L HA 0.369 4.709 4.340 -0.000 0.000 0.285 1404 L C 0.118 176.884 176.870 -0.174 0.000 1.074 1404 L CA 0.122 54.856 54.840 -0.177 0.000 0.817 1404 L CB 0.512 42.509 42.059 -0.102 0.000 1.168 1404 L HN 0.559 nan 8.230 nan 0.000 0.434 1405 R N 5.245 125.627 120.500 -0.197 0.000 2.272 1405 R HA 0.485 4.824 4.340 -0.000 0.000 0.323 1405 R C -1.610 174.502 176.300 -0.314 0.000 1.002 1405 R CA -0.703 55.224 56.100 -0.289 0.000 0.900 1405 R CB 0.639 30.886 30.300 -0.089 0.000 1.151 1405 R HN 0.665 nan 8.270 nan 0.000 0.507 1406 L N 3.486 124.482 121.223 -0.378 0.000 2.282 1406 L HA 0.339 4.679 4.340 -0.000 0.000 0.288 1406 L C -0.745 175.986 176.870 -0.232 0.000 1.033 1406 L CA -0.240 54.417 54.840 -0.305 0.000 0.807 1406 L CB 1.676 43.545 42.059 -0.317 0.000 1.209 1406 L HN 0.537 nan 8.230 nan 0.000 0.423 1407 Q N 4.343 124.050 119.800 -0.155 0.000 2.295 1407 Q HA 0.318 4.658 4.340 -0.000 0.000 0.259 1407 Q C -0.968 174.992 176.000 -0.067 0.000 0.976 1407 Q CA -0.148 55.593 55.803 -0.103 0.000 0.923 1407 Q CB 1.653 30.357 28.738 -0.056 0.000 1.185 1407 Q HN 0.478 nan 8.270 nan 0.000 0.410 1408 V N 6.557 126.435 119.914 -0.061 0.000 2.293 1408 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 1408 V C -2.134 173.956 176.094 -0.005 0.000 1.021 1408 V CA -1.843 60.444 62.300 -0.023 0.000 0.815 1408 V CB 1.289 33.101 31.823 -0.018 0.000 1.025 1408 V HN 0.563 nan 8.190 nan 0.000 0.448 1409 P HA 0.103 nan 4.420 nan 0.000 0.272 1409 P C -0.227 177.091 177.300 0.030 0.000 1.230 1409 P CA -0.458 62.650 63.100 0.013 0.000 0.788 1409 P CB 0.591 32.300 31.700 0.015 0.000 0.949 1410 K N 1.565 121.984 120.400 0.032 0.000 2.489 1410 K HA 0.191 4.511 4.320 -0.000 0.000 0.278 1410 K C 0.999 177.624 176.600 0.043 0.000 1.000 1410 K CA 0.993 57.309 56.287 0.049 0.000 1.012 1410 K CB -0.825 31.700 32.500 0.042 0.000 0.903 1410 K HN 0.764 nan 8.250 nan 0.000 0.485 1411 G N 2.084 110.916 108.800 0.053 0.000 2.176 1411 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 1411 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 1411 G C -0.081 174.845 174.900 0.043 0.000 0.986 1411 G CA 0.134 45.259 45.100 0.042 0.000 0.643 1411 G HN 0.644 nan 8.290 nan 0.000 0.522 1412 S N 0.803 116.533 115.700 0.050 0.000 2.579 1412 S HA 0.468 4.937 4.470 -0.000 0.000 0.275 1412 S C 0.677 175.306 174.600 0.049 0.000 1.345 1412 S CA 0.597 58.824 58.200 0.046 0.000 1.031 1412 S CB 1.046 64.273 63.200 0.045 0.000 0.892 1412 S HN 0.412 nan 8.310 nan 0.000 0.529 1413 T N 2.943 117.521 114.554 0.041 0.000 2.782 1413 T HA 0.568 4.918 4.350 -0.000 0.000 0.298 1413 T C 0.536 175.258 174.700 0.036 0.000 0.944 1413 T CA -0.150 61.975 62.100 0.042 0.000 1.001 1413 T CB 0.090 68.980 68.868 0.038 0.000 0.932 1413 T HN 0.802 nan 8.240 nan 0.000 0.524 1414 G N 1.201 110.014 108.800 0.020 0.000 2.489 1414 G HA2 0.760 4.719 3.960 -0.000 0.000 0.305 1414 G HA3 0.760 4.719 3.960 -0.000 0.000 0.305 1414 G C -2.040 172.769 174.900 -0.152 0.000 1.311 1414 G CA -0.244 44.838 45.100 -0.030 0.000 0.813 1414 G HN 0.814 nan 8.290 nan 0.000 0.480 1415 A N -1.539 121.080 122.820 -0.336 0.000 2.608 1415 A HA 0.601 4.921 4.320 -0.000 0.000 0.292 1415 A C -1.936 175.162 177.584 -0.810 0.000 1.066 1415 A CA -0.601 50.919 52.037 -0.862 0.000 0.676 1415 A CB 1.183 19.456 19.000 -1.212 0.000 1.277 1415 A HN 1.759 nan 8.150 nan 0.000 0.413 1416 Y N 3.270 122.712 120.300 -1.430 0.000 2.616 1416 Y HA 0.229 4.779 4.550 -0.000 0.000 0.350 1416 Y C 1.161 176.868 175.900 -0.321 0.000 1.119 1416 Y CA -0.699 56.990 58.100 -0.685 0.000 1.467 1416 Y CB 0.532 38.626 38.460 -0.609 0.000 1.287 1416 Y HN 0.619 nan 8.280 nan 0.000 0.504 1417 L N 3.111 124.132 121.223 -0.336 0.000 2.079 1417 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 1417 L C 1.615 178.385 176.870 -0.167 0.000 1.081 1417 L CA 1.895 56.679 54.840 -0.093 0.000 0.752 1417 L CB -0.881 41.159 42.059 -0.032 0.000 0.896 1417 L HN 0.588 nan 8.230 nan 0.000 0.433 1418 S N 0.069 115.416 115.700 -0.588 0.000 2.653 1418 S HA 0.024 4.494 4.470 -0.000 0.000 0.233 1418 S C 1.838 176.268 174.600 -0.284 0.000 0.970 1418 S CA 0.612 58.511 58.200 -0.502 0.000 0.947 1418 S CB -0.200 62.571 63.200 -0.716 0.000 0.771 1418 S HN 0.598 nan 8.310 nan 0.000 0.538 1419 A N 1.688 124.452 122.820 -0.092 0.000 1.984 1419 A HA 0.147 4.467 4.320 -0.000 0.000 0.214 1419 A C 1.966 179.660 177.584 0.184 0.000 1.173 1419 A CA 0.450 52.609 52.037 0.204 0.000 0.673 1419 A CB -0.481 18.799 19.000 0.466 0.000 0.830 1419 A HN 0.655 nan 8.150 nan 0.000 0.453 1420 I N -3.415 117.254 120.570 0.165 0.000 2.439 1420 I HA 0.330 4.499 4.170 -0.000 0.000 0.251 1420 I C 1.331 177.497 176.117 0.082 0.000 1.139 1420 I CA 0.746 62.100 61.300 0.090 0.000 1.438 1420 I CB -0.813 37.220 38.000 0.054 0.000 1.085 1420 I HN 0.453 nan 8.210 nan 0.000 0.427 1421 G N 0.789 109.642 108.800 0.088 0.000 2.527 1421 G HA2 0.137 4.096 3.960 -0.000 0.000 0.227 1421 G HA3 0.137 4.096 3.960 -0.000 0.000 0.227 1421 G C 0.487 175.449 174.900 0.103 0.000 1.291 1421 G CA -0.169 44.983 45.100 0.087 0.000 0.904 1421 G HN 1.496 nan 8.290 nan 0.000 0.577 1422 G N -1.454 107.401 108.800 0.092 0.000 2.561 1422 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.289 1422 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.289 1422 G C 0.835 175.801 174.900 0.110 0.000 1.169 1422 G CA 1.227 46.413 45.100 0.143 0.000 0.980 1422 G HN 1.682 nan 8.290 nan 0.000 0.550 1423 F N 3.260 123.226 119.950 0.026 0.000 2.802 1423 F HA 0.531 5.057 4.527 -0.001 0.000 0.300 1423 F C 2.176 177.993 175.800 0.027 0.000 1.168 1423 F CA 0.355 58.372 58.000 0.029 0.000 1.433 1423 F CB -0.614 38.408 39.000 0.037 0.000 1.115 1423 F HN 0.696 nan 8.300 nan 0.000 0.582 1424 A N 0.271 123.201 122.820 0.183 0.000 2.546 1424 A HA 0.267 4.587 4.320 -0.000 0.000 0.243 1424 A C 1.048 178.661 177.584 0.048 0.000 1.063 1424 A CA -0.045 52.050 52.037 0.095 0.000 0.757 1424 A CB -0.107 18.924 19.000 0.051 0.000 0.991 1424 A HN 0.242 nan 8.150 nan 0.000 0.503 1425 S N 1.123 116.840 115.700 0.027 0.000 2.629 1425 S HA 0.192 4.662 4.470 -0.000 0.000 0.250 1425 S C 0.161 174.764 174.600 0.006 0.000 1.318 1425 S CA 0.065 58.275 58.200 0.016 0.000 0.970 1425 S CB -0.031 63.178 63.200 0.015 0.000 0.996 1425 S HN 0.765 nan 8.310 nan 0.000 0.563 1426 E N 0.643 120.860 120.200 0.028 0.000 2.151 1426 E HA 0.416 4.765 4.350 -0.000 0.000 0.275 1426 E C -0.718 175.932 176.600 0.083 0.000 0.936 1426 E CA -0.553 55.885 56.400 0.064 0.000 0.777 1426 E CB 0.626 30.365 29.700 0.065 0.000 1.108 1426 E HN 0.428 nan 8.360 nan 0.000 0.401 1427 K N 0.771 121.248 120.400 0.128 0.000 3.012 1427 K HA -0.296 4.024 4.320 -0.000 0.000 0.259 1427 K C -0.248 176.457 176.600 0.175 0.000 0.989 1427 K CA 0.712 57.154 56.287 0.259 0.000 0.728 1427 K CB -1.040 31.590 32.500 0.218 0.000 1.260 1427 K HN 0.597 nan 8.250 nan 0.000 0.480 1428 E N 1.157 121.319 120.200 -0.064 0.000 2.249 1428 E HA 0.250 4.600 4.350 -0.000 0.000 0.280 1428 E C -0.402 176.168 176.600 -0.050 0.000 1.016 1428 E CA -0.639 55.742 56.400 -0.031 0.000 0.830 1428 E CB 0.691 30.362 29.700 -0.048 0.000 1.081 1428 E HN 0.102 nan 8.360 nan 0.000 0.395 1429 I N 5.724 126.324 120.570 0.049 0.000 2.382 1429 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 1429 I C -0.559 175.567 176.117 0.015 0.000 1.002 1429 I CA -0.780 60.537 61.300 0.028 0.000 1.135 1429 I CB 1.078 39.120 38.000 0.071 0.000 1.288 1429 I HN 0.522 nan 8.210 nan 0.000 0.448 1430 L N 8.202 129.413 121.223 -0.020 0.000 2.275 1430 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 1430 L C -0.706 176.189 176.870 0.041 0.000 1.046 1430 L CA -0.057 54.806 54.840 0.039 0.000 0.805 1430 L CB 0.929 43.010 42.059 0.038 0.000 1.193 1430 L HN 0.369 nan 8.230 nan 0.000 0.426 1431 L N 3.544 124.822 121.223 0.091 0.000 2.343 1431 L HA 0.401 4.741 4.340 -0.000 0.000 0.275 1431 L C -0.064 176.887 176.870 0.134 0.000 1.056 1431 L CA -0.896 53.995 54.840 0.085 0.000 0.804 1431 L CB 1.435 43.539 42.059 0.076 0.000 1.203 1431 L HN 0.583 nan 8.230 nan 0.000 0.440 1432 D N 1.811 122.265 120.400 0.090 0.000 2.382 1432 D HA 0.062 4.702 4.640 -0.000 0.000 0.240 1432 D C -0.156 176.046 176.300 -0.163 0.000 1.146 1432 D CA -0.195 53.832 54.000 0.045 0.000 0.897 1432 D CB 0.785 41.604 40.800 0.031 0.000 1.197 1432 D HN 0.397 nan 8.370 nan 0.000 0.432 1433 K N 1.423 121.476 120.400 -0.579 0.000 2.397 1433 K HA 0.054 4.373 4.320 -0.000 0.000 0.265 1433 K C -0.390 176.051 176.600 -0.265 0.000 0.982 1433 K CA -0.164 55.767 56.287 -0.592 0.000 0.931 1433 K CB 0.266 32.221 32.500 -0.908 0.000 0.943 1433 K HN 0.354 nan 8.250 nan 0.000 0.501 1434 D N -0.302 119.983 120.400 -0.192 0.000 2.835 1434 D HA -0.151 4.488 4.640 -0.000 0.000 0.230 1434 D C -0.544 175.707 176.300 -0.083 0.000 1.130 1434 D CA 1.441 55.368 54.000 -0.122 0.000 0.738 1434 D CB -1.633 39.100 40.800 -0.111 0.000 1.090 1434 D HN 0.726 nan 8.370 nan 0.000 0.433 1435 S N -0.536 115.125 115.700 -0.065 0.000 2.603 1435 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 1435 S C 0.210 174.789 174.600 -0.035 0.000 1.317 1435 S CA -0.288 57.902 58.200 -0.015 0.000 1.012 1435 S CB 2.333 65.556 63.200 0.039 0.000 0.926 1435 S HN 0.215 nan 8.310 nan 0.000 0.539 1436 K N 1.031 121.430 120.400 -0.002 0.000 2.525 1436 K HA 0.454 4.774 4.320 -0.000 0.000 0.254 1436 K C -1.854 174.782 176.600 0.061 0.000 0.934 1436 K CA -0.678 55.575 56.287 -0.056 0.000 0.802 1436 K CB 1.878 34.350 32.500 -0.047 0.000 1.295 1436 K HN 0.797 nan 8.250 nan 0.000 0.433 1437 Y N -1.314 118.992 120.300 0.009 0.000 2.504 1437 Y HA 0.434 4.984 4.550 -0.000 0.000 0.344 1437 Y C -0.918 175.017 175.900 0.059 0.000 1.023 1437 Y CA -1.203 56.919 58.100 0.036 0.000 1.020 1437 Y CB 1.180 39.653 38.460 0.023 0.000 1.282 1437 Y HN 0.553 nan 8.280 nan 0.000 0.454 1438 H N 4.620 123.831 119.070 0.235 0.000 2.562 1438 H HA 0.433 4.989 4.556 -0.000 0.000 0.314 1438 H C -0.882 174.565 175.328 0.199 0.000 1.079 1438 H CA -0.526 55.611 56.048 0.147 0.000 1.349 1438 H CB 1.031 30.833 29.762 0.067 0.000 1.432 1438 H HN 0.881 nan 8.280 nan 0.000 0.479 1439 I N 6.035 126.473 120.570 -0.220 0.000 2.379 1439 I HA -0.075 4.095 4.170 -0.000 0.000 0.290 1439 I C 0.815 176.850 176.117 -0.136 0.000 1.063 1439 I CA -0.202 61.076 61.300 -0.036 0.000 1.351 1439 I CB 0.788 38.838 38.000 0.083 0.000 1.410 1439 I HN 0.633 nan 8.210 nan 0.000 0.505 1440 D N 6.001 126.440 120.400 0.066 0.000 2.162 1440 D HA 0.011 4.650 4.640 -0.000 0.000 0.205 1440 D C 0.499 176.778 176.300 -0.036 0.000 0.964 1440 D CA 1.140 55.185 54.000 0.075 0.000 0.847 1440 D CB 0.383 41.237 40.800 0.090 0.000 0.988 1440 D HN 0.605 nan 8.370 nan 0.000 0.480 1441 K N -1.203 119.195 120.400 -0.004 0.000 2.658 1441 K HA 0.524 4.843 4.320 -0.000 0.000 0.293 1441 K C -1.704 174.892 176.600 -0.008 0.000 1.026 1441 K CA -0.841 55.441 56.287 -0.007 0.000 0.871 1441 K CB 1.806 34.328 32.500 0.036 0.000 1.524 1441 K HN -0.225 nan 8.250 nan 0.000 0.400 1442 V N 0.877 120.765 119.914 -0.042 0.000 2.709 1442 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 1442 V C -0.658 175.293 176.094 -0.239 0.000 1.062 1442 V CA -0.317 61.887 62.300 -0.160 0.000 0.901 1442 V CB 1.764 33.485 31.823 -0.170 0.000 1.003 1442 V HN 1.063 nan 8.190 nan 0.000 0.425 1443 T N 0.626 115.004 114.554 -0.293 0.000 2.865 1443 T HA 0.740 5.089 4.350 -0.000 0.000 0.294 1443 T C -0.858 173.659 174.700 -0.304 0.000 1.119 1443 T CA -0.920 61.029 62.100 -0.252 0.000 1.007 1443 T CB 2.485 71.283 68.868 -0.118 0.000 1.225 1443 T HN 0.575 nan 8.240 nan 0.000 0.515 1444 E N -0.302 119.781 120.200 -0.195 0.000 2.212 1444 E HA 0.692 5.042 4.350 -0.000 0.000 0.270 1444 E C -1.366 175.205 176.600 -0.048 0.000 0.956 1444 E CA -1.180 55.173 56.400 -0.078 0.000 0.825 1444 E CB 2.451 32.145 29.700 -0.009 0.000 1.167 1444 E HN 0.474 nan 8.360 nan 0.000 0.400 1445 V N 3.271 123.162 119.914 -0.039 0.000 2.817 1445 V HA 0.337 4.457 4.120 -0.000 0.000 0.303 1445 V C -1.583 174.503 176.094 -0.013 0.000 1.151 1445 V CA -0.501 61.781 62.300 -0.031 0.000 0.929 1445 V CB 1.490 33.264 31.823 -0.082 0.000 1.030 1445 V HN 0.575 nan 8.190 nan 0.000 0.427 1446 I N 7.535 128.119 120.570 0.024 0.000 2.304 1446 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 1446 I C -0.380 175.779 176.117 0.070 0.000 1.018 1446 I CA -0.243 61.079 61.300 0.036 0.000 1.260 1446 I CB 1.277 39.303 38.000 0.044 0.000 1.390 1446 I HN 0.432 nan 8.210 nan 0.000 0.475 1447 I N 6.912 127.530 120.570 0.080 0.000 2.355 1447 I HA 0.178 4.347 4.170 -0.000 0.000 0.288 1447 I C 0.497 176.690 176.117 0.127 0.000 0.999 1447 I CA -0.781 60.599 61.300 0.133 0.000 1.163 1447 I CB 1.151 39.257 38.000 0.176 0.000 1.316 1447 I HN 0.615 nan 8.210 nan 0.000 0.454 1448 K N 5.144 125.634 120.400 0.151 0.000 3.156 1448 K HA -0.268 4.052 4.320 -0.000 0.000 0.266 1448 K C 0.891 177.534 176.600 0.073 0.000 0.966 1448 K CA 0.764 57.119 56.287 0.114 0.000 0.719 1448 K CB -1.113 31.449 32.500 0.102 0.000 1.333 1448 K HN 1.212 nan 8.250 nan 0.000 0.468 1449 G N -1.700 107.141 108.800 0.068 0.000 2.299 1449 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.237 1449 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.237 1449 G C 0.098 175.016 174.900 0.029 0.000 1.027 1449 G CA 0.231 45.357 45.100 0.043 0.000 0.619 1449 G HN 1.107 nan 8.290 nan 0.000 0.513 1450 V N -1.172 118.761 119.914 0.032 0.000 2.532 1450 V HA 0.793 4.913 4.120 -0.000 0.000 0.295 1450 V C 0.421 176.512 176.094 -0.005 0.000 1.041 1450 V CA -0.766 61.540 62.300 0.009 0.000 0.926 1450 V CB 1.795 33.625 31.823 0.012 0.000 0.992 1450 V HN 0.486 nan 8.190 nan 0.000 0.457 1451 K N 2.849 123.223 120.400 -0.045 0.000 2.249 1451 K HA 0.579 4.899 4.320 -0.000 0.000 0.280 1451 K C -0.552 175.960 176.600 -0.146 0.000 1.033 1451 K CA -0.479 55.762 56.287 -0.077 0.000 0.946 1451 K CB 0.706 33.149 32.500 -0.096 0.000 1.005 1451 K HN 0.830 nan 8.250 nan 0.000 0.469 1452 R N 2.183 122.601 120.500 -0.137 0.000 2.771 1452 R HA 0.344 4.684 4.340 -0.000 0.000 0.274 1452 R C -1.371 174.853 176.300 -0.126 0.000 0.987 1452 R CA -0.500 55.471 56.100 -0.215 0.000 0.908 1452 R CB 1.325 31.503 30.300 -0.203 0.000 1.213 1452 R HN 0.545 nan 8.270 nan 0.000 0.468 1453 Y N 0.669 120.708 120.300 -0.434 0.000 2.352 1453 Y HA 0.492 5.042 4.550 -0.000 0.000 0.339 1453 Y C -0.221 175.345 175.900 -0.557 0.000 0.992 1453 Y CA -1.395 56.399 58.100 -0.511 0.000 1.100 1453 Y CB 2.115 40.150 38.460 -0.708 0.000 1.192 1453 Y HN 0.082 nan 8.280 nan 0.000 0.458 1454 V N 5.160 124.867 119.914 -0.345 0.000 2.370 1454 V HA 0.210 4.330 4.120 -0.000 0.000 0.279 1454 V C -0.267 175.654 176.094 -0.288 0.000 1.029 1454 V CA -0.709 61.358 62.300 -0.388 0.000 0.870 1454 V CB 1.321 32.934 31.823 -0.350 0.000 0.984 1454 V HN 0.453 nan 8.190 nan 0.000 0.451 1455 V N 4.657 124.416 119.914 -0.259 0.000 2.328 1455 V HA 0.339 4.459 4.120 -0.000 0.000 0.278 1455 V C -0.069 175.962 176.094 -0.104 0.000 1.021 1455 V CA -0.639 61.575 62.300 -0.144 0.000 0.838 1455 V CB 1.353 33.127 31.823 -0.082 0.000 0.999 1455 V HN 0.792 nan 8.190 nan 0.000 0.447 1456 D N 4.254 124.614 120.400 -0.066 0.000 2.264 1456 D HA 0.676 5.316 4.640 -0.000 0.000 0.250 1456 D C 0.015 176.294 176.300 -0.036 0.000 1.113 1456 D CA 0.361 54.324 54.000 -0.061 0.000 0.871 1456 D CB 2.277 43.058 40.800 -0.032 0.000 1.167 1456 D HN 0.702 nan 8.370 nan 0.000 0.447 1457 A N 1.873 124.641 122.820 -0.086 0.000 2.593 1457 A HA 0.723 5.043 4.320 -0.000 0.000 0.290 1457 A C -0.776 176.786 177.584 -0.036 0.000 1.126 1457 A CA -0.626 51.388 52.037 -0.038 0.000 0.695 1457 A CB 1.983 20.869 19.000 -0.189 0.000 1.290 1457 A HN 0.349 nan 8.150 nan 0.000 0.414 1458 T N 1.291 115.892 114.554 0.078 0.000 2.840 1458 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 1458 T C -0.664 174.109 174.700 0.121 0.000 0.991 1458 T CA -0.299 61.839 62.100 0.064 0.000 0.964 1458 T CB 1.023 69.933 68.868 0.071 0.000 0.954 1458 T HN 0.681 nan 8.240 nan 0.000 0.438 1459 L N 4.436 125.705 121.223 0.077 0.000 2.455 1459 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 1459 L C -0.468 176.458 176.870 0.092 0.000 1.174 1459 L CA 0.062 54.971 54.840 0.116 0.000 0.869 1459 L CB 0.058 42.158 42.059 0.068 0.000 1.130 1459 L HN 0.567 nan 8.230 nan 0.000 0.474 1460 L N 5.556 126.838 121.223 0.099 0.000 2.331 1460 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 1460 L C 0.607 177.502 176.870 0.040 0.000 1.106 1460 L CA -0.310 54.567 54.840 0.062 0.000 0.824 1460 L CB 0.728 42.820 42.059 0.055 0.000 1.142 1460 L HN 0.692 nan 8.230 nan 0.000 0.443 1461 T N 0.000 114.571 114.554 0.029 0.000 3.816 1461 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1461 T CA 0.000 62.113 62.100 0.022 0.000 1.349 1461 T CB 0.000 68.880 68.868 0.020 0.000 0.612 1461 T HN 0.000 nan 8.240 nan 0.000 0.658