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 1vzu_1_B DATA FIRST_RESID 1082 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQYHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 1082 K HA 0.000 nan 4.320 nan 0.000 0.191 1082 K C 0.000 176.623 176.600 0.039 0.000 0.988 1082 K CA 0.000 56.358 56.287 0.118 0.000 0.838 1082 K CB 0.000 32.619 32.500 0.199 0.000 1.064 1083 L N 4.134 125.304 121.223 -0.088 0.000 2.525 1083 L HA 0.211 4.847 4.340 0.493 0.000 0.278 1083 L C -0.427 176.407 176.870 -0.060 0.000 1.218 1083 L CA 0.804 55.456 54.840 -0.312 0.000 0.878 1083 L CB 0.394 41.951 42.059 -0.837 0.000 1.127 1083 L HN 0.291 nan 8.230 nan 0.000 0.492 1084 K N 3.598 124.002 120.400 0.007 0.000 2.340 1084 K HA 0.297 4.913 4.320 0.493 0.000 0.244 1084 K C 0.478 177.143 176.600 0.110 0.000 0.973 1084 K CA -0.909 55.417 56.287 0.064 0.000 0.828 1084 K CB 1.364 33.888 32.500 0.040 0.000 1.226 1084 K HN 0.494 nan 8.250 nan 0.000 0.437 1085 L N 2.135 123.400 121.223 0.069 0.000 2.043 1085 L HA -0.235 4.400 4.340 0.493 0.000 0.212 1085 L C 2.262 178.959 176.870 -0.289 0.000 1.075 1085 L CA 2.724 57.505 54.840 -0.099 0.000 0.752 1085 L CB -0.756 41.249 42.059 -0.089 0.000 0.891 1085 L HN 0.946 nan 8.230 nan 0.000 0.432 1086 S N -1.703 113.933 115.700 -0.107 0.000 2.442 1086 S HA -0.184 4.582 4.470 0.493 0.000 0.236 1086 S C 1.630 176.191 174.600 -0.066 0.000 1.007 1086 S CA 1.062 59.210 58.200 -0.086 0.000 0.965 1086 S CB -0.840 62.350 63.200 -0.016 0.000 0.773 1086 S HN 0.529 nan 8.310 nan 0.000 0.504 1087 D N 1.192 121.589 120.400 -0.007 0.000 2.178 1087 D HA -0.075 4.861 4.640 0.493 0.000 0.201 1087 D C 1.604 178.001 176.300 0.162 0.000 0.980 1087 D CA 1.369 55.415 54.000 0.077 0.000 0.842 1087 D CB -0.204 40.659 40.800 0.106 0.000 0.948 1087 D HN 0.904 nan 8.370 nan 0.000 0.472 1088 W N -1.512 119.825 121.300 0.062 0.000 2.413 1088 W HA 0.308 5.257 4.660 0.480 0.000 0.288 1088 W C -0.522 176.120 176.519 0.205 0.000 0.958 1088 W CA -0.542 56.868 57.345 0.109 0.000 1.333 1088 W CB -0.119 29.395 29.460 0.091 0.000 1.002 1088 W HN -0.251 nan 8.180 nan 0.000 0.562 1089 F N 4.192 123.667 119.950 -0.792 0.000 2.477 1089 F HA 0.501 5.318 4.527 0.484 0.000 0.335 1089 F C -0.958 174.591 175.800 -0.419 0.000 1.130 1089 F CA -1.325 56.165 58.000 -0.851 0.000 0.948 1089 F CB 1.157 39.214 39.000 -1.570 0.000 1.154 1089 F HN -0.224 nan 8.300 nan 0.000 0.439 1090 N N 8.321 126.527 118.700 -0.824 0.000 2.623 1090 N HA 0.382 5.418 4.740 0.493 0.000 0.256 1090 N C -2.264 172.715 175.510 -0.884 0.000 1.045 1090 N CA -2.549 50.141 53.050 -0.601 0.000 0.863 1090 N CB 1.837 40.177 38.487 -0.245 0.000 1.182 1090 N HN 0.251 nan 8.380 nan 0.000 0.523 1091 P HA -0.049 nan 4.420 nan 0.000 0.222 1091 P C 0.911 177.770 177.300 -0.735 0.000 1.147 1091 P CA 0.897 63.389 63.100 -1.013 0.000 0.790 1091 P CB -0.021 31.159 31.700 -0.866 0.000 0.780 1092 F N 0.340 120.138 119.950 -0.254 0.000 2.604 1092 F HA 0.007 4.833 4.527 0.499 0.000 0.298 1092 F C 2.101 177.801 175.800 -0.167 0.000 1.131 1092 F CA 0.522 58.419 58.000 -0.171 0.000 1.457 1092 F CB -0.603 38.316 39.000 -0.136 0.000 1.095 1092 F HN -0.199 nan 8.300 nan 0.000 0.574 1093 K N 0.337 120.674 120.400 -0.105 0.000 2.365 1093 K HA 0.032 4.648 4.320 0.493 0.000 0.199 1093 K C 0.437 176.963 176.600 -0.124 0.000 1.045 1093 K CA 0.683 56.906 56.287 -0.106 0.000 0.962 1093 K CB -0.030 32.383 32.500 -0.144 0.000 0.759 1093 K HN 0.114 nan 8.250 nan 0.000 0.469 1094 R N 0.668 121.065 120.500 -0.172 0.000 2.644 1094 R HA 0.160 4.796 4.340 0.493 0.000 0.271 1094 R C -2.162 174.005 176.300 -0.221 0.000 1.687 1094 R CA -1.375 54.602 56.100 -0.206 0.000 1.655 1094 R CB 0.949 31.100 30.300 -0.248 0.000 1.285 1094 R HN -0.059 nan 8.270 nan 0.000 0.643 1095 P HA -0.121 nan 4.420 nan 0.000 0.226 1095 P C 0.759 177.986 177.300 -0.122 0.000 1.153 1095 P CA 0.984 64.026 63.100 -0.097 0.000 0.777 1095 P CB 0.487 32.167 31.700 -0.034 0.000 0.794 1096 E N 0.643 120.739 120.200 -0.174 0.000 2.474 1096 E HA 0.073 4.719 4.350 0.493 0.000 0.195 1096 E C 0.518 176.989 176.600 -0.215 0.000 1.039 1096 E CA 0.030 56.334 56.400 -0.162 0.000 0.881 1096 E CB -0.285 29.324 29.700 -0.150 0.000 0.970 1096 E HN 0.135 nan 8.360 nan 0.000 0.486 1097 V N -2.512 117.204 119.914 -0.330 0.000 3.158 1097 V HA 0.543 4.959 4.120 0.493 0.000 0.311 1097 V C 0.101 176.090 176.094 -0.174 0.000 1.181 1097 V CA -1.299 60.776 62.300 -0.375 0.000 1.054 1097 V CB 1.650 32.790 31.823 -1.138 0.000 1.085 1097 V HN -0.160 nan 8.190 nan 0.000 0.446 1098 V N 2.000 121.960 119.914 0.077 0.000 2.439 1098 V HA 0.308 4.724 4.120 0.493 0.000 0.271 1098 V C 1.443 177.709 176.094 0.287 0.000 1.040 1098 V CA 0.934 63.358 62.300 0.207 0.000 1.002 1098 V CB 0.467 32.507 31.823 0.361 0.000 1.000 1098 V HN 1.209 nan 8.190 nan 0.000 0.477 1099 T N 1.359 116.015 114.554 0.170 0.000 2.985 1099 T HA 0.391 5.037 4.350 0.493 0.000 0.254 1099 T C 0.347 175.184 174.700 0.228 0.000 1.021 1099 T CA -0.144 62.129 62.100 0.288 0.000 0.957 1099 T CB 0.426 69.371 68.868 0.129 0.000 1.047 1099 T HN 0.314 nan 8.240 nan 0.000 0.511 1100 M N 2.836 122.489 119.600 0.088 0.000 2.446 1100 M HA 0.439 5.215 4.480 0.493 0.000 0.294 1100 M C -0.252 175.997 176.300 -0.085 0.000 1.158 1100 M CA -0.483 54.806 55.300 -0.018 0.000 0.899 1100 M CB 2.227 34.814 32.600 -0.022 0.000 1.687 1100 M HN 0.316 nan 8.290 nan 0.000 0.455 1101 T N -1.521 112.857 114.554 -0.292 0.000 2.862 1101 T HA 0.355 5.001 4.350 0.493 0.000 0.276 1101 T C 1.004 175.479 174.700 -0.375 0.000 0.974 1101 T CA -0.622 61.193 62.100 -0.475 0.000 0.966 1101 T CB 1.400 69.413 68.868 -1.425 0.000 1.072 1101 T HN 0.801 nan 8.240 nan 0.000 0.538 1102 K N -0.252 119.997 120.400 -0.252 0.000 2.362 1102 K HA -0.072 4.544 4.320 0.493 0.000 0.200 1102 K C 0.965 177.648 176.600 0.138 0.000 1.046 1102 K CA 0.884 57.191 56.287 0.033 0.000 0.952 1102 K CB -0.221 32.388 32.500 0.181 0.000 0.753 1102 K HN 0.918 nan 8.250 nan 0.000 0.466 1103 W N 1.539 122.907 121.300 0.113 0.000 3.223 1103 W HA 0.400 5.353 4.660 0.487 0.000 0.389 1103 W C -0.408 176.156 176.519 0.074 0.000 1.118 1103 W CA -0.767 56.630 57.345 0.087 0.000 1.902 1103 W CB 0.485 29.998 29.460 0.088 0.000 1.094 1103 W HN -0.144 nan 8.180 nan 0.000 0.666 1104 K N -0.599 119.721 120.400 -0.133 0.000 3.291 1104 K HA -0.203 4.413 4.320 0.493 0.000 0.290 1104 K C 0.148 176.667 176.600 -0.136 0.000 1.235 1104 K CA 1.216 57.450 56.287 -0.088 0.000 0.848 1104 K CB -2.164 30.352 32.500 0.028 0.000 1.295 1104 K HN 0.494 nan 8.250 nan 0.000 0.497 1105 A N 1.685 124.305 122.820 -0.332 0.000 2.310 1105 A HA 0.593 5.208 4.320 0.493 0.000 0.299 1105 A C -2.018 175.388 177.584 -0.296 0.000 1.147 1105 A CA -1.260 50.644 52.037 -0.221 0.000 0.818 1105 A CB 0.529 19.461 19.000 -0.115 0.000 1.096 1105 A HN -0.038 nan 8.150 nan 0.000 0.495 1106 P HA 0.244 nan 4.420 nan 0.000 0.275 1106 P C -0.725 176.352 177.300 -0.373 0.000 1.227 1106 P CA -0.048 62.667 63.100 -0.643 0.000 0.781 1106 P CB 1.074 31.992 31.700 -1.303 0.000 0.906 1107 V N 4.192 124.002 119.914 -0.173 0.000 2.333 1107 V HA 0.106 4.522 4.120 0.493 0.000 0.274 1107 V C 0.549 176.722 176.094 0.132 0.000 1.028 1107 V CA -0.702 61.575 62.300 -0.039 0.000 0.851 1107 V CB 1.416 33.301 31.823 0.103 0.000 1.000 1107 V HN 0.264 nan 8.190 nan 0.000 0.456 1108 V N 5.363 125.264 119.914 -0.020 0.000 2.405 1108 V HA 0.271 4.687 4.120 0.493 0.000 0.264 1108 V C -0.387 175.813 176.094 0.177 0.000 1.048 1108 V CA -0.266 62.165 62.300 0.219 0.000 0.966 1108 V CB 0.196 32.045 31.823 0.044 0.000 1.015 1108 V HN 0.839 nan 8.190 nan 0.000 0.477 1109 W N 2.137 123.663 121.300 0.377 0.000 2.639 1109 W HA 0.553 5.579 4.660 0.610 0.000 0.347 1109 W C 0.302 177.005 176.519 0.306 0.000 1.067 1109 W CA -0.940 56.564 57.345 0.264 0.000 1.218 1109 W CB 1.004 30.533 29.460 0.116 0.000 1.393 1109 W HN 0.464 nan 8.180 nan 0.000 0.557 1110 E N 0.864 121.339 120.200 0.458 0.000 2.529 1110 E HA 0.304 4.949 4.350 0.493 0.000 0.259 1110 E C 1.067 177.719 176.600 0.088 0.000 0.966 1110 E CA 2.137 58.703 56.400 0.275 0.000 0.937 1110 E CB 0.237 30.015 29.700 0.130 0.000 0.923 1110 E HN 0.655 nan 8.360 nan 0.000 0.468 1111 G N 2.875 111.579 108.800 -0.160 0.000 2.279 1111 G HA2 -0.345 3.911 3.960 0.493 0.000 0.223 1111 G HA3 -0.345 3.911 3.960 0.493 0.000 0.223 1111 G C 1.083 175.870 174.900 -0.188 0.000 1.015 1111 G CA 0.779 45.775 45.100 -0.173 0.000 0.621 1111 G HN 0.842 nan 8.290 nan 0.000 0.506 1112 T N -1.143 113.364 114.554 -0.078 0.000 3.067 1112 T HA 0.410 5.056 4.350 0.493 0.000 0.257 1112 T C 1.020 175.708 174.700 -0.020 0.000 1.105 1112 T CA 1.227 63.236 62.100 -0.152 0.000 1.104 1112 T CB -0.188 68.576 68.868 -0.173 0.000 0.925 1112 T HN 1.292 nan 8.240 nan 0.000 0.498 1113 Y N 0.232 120.657 120.300 0.209 0.000 2.420 1113 Y HA 0.725 5.575 4.550 0.501 0.000 0.334 1113 Y C -0.223 175.841 175.900 0.273 0.000 1.094 1113 Y CA -2.309 56.026 58.100 0.391 0.000 1.126 1113 Y CB 0.714 39.494 38.460 0.533 0.000 1.217 1113 Y HN -0.174 nan 8.280 nan 0.000 0.462 1114 N N 3.232 122.213 118.700 0.470 0.000 2.801 1114 N HA 0.147 5.183 4.740 0.493 0.000 0.235 1114 N C 0.686 176.420 175.510 0.374 0.000 1.069 1114 N CA -0.241 52.993 53.050 0.306 0.000 0.946 1114 N CB 0.454 39.083 38.487 0.236 0.000 1.212 1114 N HN 0.969 nan 8.380 nan 0.000 0.509 1115 R N 2.500 123.250 120.500 0.416 0.000 2.115 1115 R HA -0.060 4.576 4.340 0.493 0.000 0.230 1115 R C 1.628 178.062 176.300 0.225 0.000 1.111 1115 R CA 1.553 57.852 56.100 0.333 0.000 0.976 1115 R CB 0.072 30.587 30.300 0.358 0.000 0.870 1115 R HN 0.534 nan 8.270 nan 0.000 0.445 1116 A N 0.217 123.150 122.820 0.189 0.000 1.908 1116 A HA -0.136 4.479 4.320 0.493 0.000 0.218 1116 A C 2.221 179.894 177.584 0.148 0.000 1.181 1116 A CA 1.678 53.803 52.037 0.146 0.000 0.627 1116 A CB -0.630 18.437 19.000 0.111 0.000 0.818 1116 A HN 0.227 nan 8.150 nan 0.000 0.445 1117 V N -0.090 119.918 119.914 0.157 0.000 2.343 1117 V HA -0.231 4.185 4.120 0.493 0.000 0.247 1117 V C 2.535 178.713 176.094 0.140 0.000 1.051 1117 V CA 1.952 64.339 62.300 0.145 0.000 1.036 1117 V CB -0.572 31.346 31.823 0.159 0.000 0.654 1117 V HN 0.568 nan 8.190 nan 0.000 0.451 1118 L N -0.731 120.579 121.223 0.144 0.000 2.131 1118 L HA -0.096 4.540 4.340 0.493 0.000 0.206 1118 L C 2.317 179.329 176.870 0.236 0.000 1.087 1118 L CA 1.147 56.042 54.840 0.092 0.000 0.767 1118 L CB -0.616 41.470 42.059 0.045 0.000 0.917 1118 L HN 0.307 nan 8.230 nan 0.000 0.441 1119 D N 0.125 120.679 120.400 0.257 0.000 2.123 1119 D HA -0.210 4.726 4.640 0.493 0.000 0.196 1119 D C 1.858 178.337 176.300 0.298 0.000 0.992 1119 D CA 1.382 55.596 54.000 0.357 0.000 0.833 1119 D CB -0.126 40.834 40.800 0.265 0.000 0.954 1119 D HN 0.300 nan 8.370 nan 0.000 0.455 1120 N N -0.616 118.202 118.700 0.197 0.000 2.106 1120 N HA -0.222 4.814 4.740 0.493 0.000 0.188 1120 N C 1.913 177.505 175.510 0.138 0.000 1.029 1120 N CA 0.910 54.047 53.050 0.145 0.000 0.848 1120 N CB -0.392 38.165 38.487 0.116 0.000 1.007 1120 N HN 0.110 nan 8.380 nan 0.000 0.423 1121 Y N 0.063 120.357 120.300 -0.010 0.000 2.081 1121 Y HA -0.272 4.573 4.550 0.492 0.000 0.280 1121 Y C 1.623 177.466 175.900 -0.095 0.000 1.163 1121 Y CA 1.999 60.026 58.100 -0.121 0.000 1.135 1121 Y CB -0.713 37.549 38.460 -0.330 0.000 0.970 1121 Y HN 0.241 nan 8.280 nan 0.000 0.498 1122 Y N -0.929 119.413 120.300 0.070 0.000 2.314 1122 Y HA -0.066 4.780 4.550 0.494 0.000 0.293 1122 Y C 2.569 178.494 175.900 0.041 0.000 1.129 1122 Y CA 0.434 58.513 58.100 -0.035 0.000 1.201 1122 Y CB -0.432 37.997 38.460 -0.052 0.000 0.999 1122 Y HN 0.237 nan 8.280 nan 0.000 0.541 1123 A N 0.655 123.659 122.820 0.308 0.000 1.902 1123 A HA -0.201 4.415 4.320 0.493 0.000 0.217 1123 A C 2.089 179.717 177.584 0.072 0.000 1.181 1123 A CA 1.605 53.762 52.037 0.200 0.000 0.623 1123 A CB -0.416 18.652 19.000 0.115 0.000 0.818 1123 A HN 0.349 nan 8.150 nan 0.000 0.443 1124 K N -0.185 120.222 120.400 0.010 0.000 2.147 1124 K HA -0.145 4.471 4.320 0.493 0.000 0.205 1124 K C 1.739 178.298 176.600 -0.068 0.000 1.049 1124 K CA 1.380 57.643 56.287 -0.041 0.000 0.936 1124 K CB -0.159 32.298 32.500 -0.072 0.000 0.722 1124 K HN 0.643 nan 8.250 nan 0.000 0.446 1125 Q N 0.737 120.475 119.800 -0.104 0.000 2.444 1125 Q HA 0.041 4.677 4.340 0.493 0.000 0.206 1125 Q C -0.383 175.630 176.000 0.022 0.000 0.948 1125 Q CA 0.130 55.893 55.803 -0.066 0.000 0.946 1125 Q CB 0.224 28.905 28.738 -0.096 0.000 1.027 1125 Q HN 0.126 nan 8.270 nan 0.000 0.513 1126 K N 1.515 121.948 120.400 0.055 0.000 3.419 1126 K HA -0.175 4.441 4.320 0.493 0.000 0.272 1126 K C 0.049 176.701 176.600 0.088 0.000 0.973 1126 K CA 0.400 56.730 56.287 0.072 0.000 0.749 1126 K CB -2.035 30.488 32.500 0.039 0.000 1.403 1126 K HN 0.483 nan 8.250 nan 0.000 0.456 1127 I N -2.486 118.163 120.570 0.131 0.000 2.764 1127 I HA 0.310 4.776 4.170 0.493 0.000 0.294 1127 I C 0.356 176.526 176.117 0.090 0.000 1.045 1127 I CA -0.242 61.122 61.300 0.108 0.000 1.340 1127 I CB 1.315 39.382 38.000 0.112 0.000 1.436 1127 I HN -0.044 nan 8.210 nan 0.000 0.567 1128 T N 3.901 118.499 114.554 0.072 0.000 2.841 1128 T HA 0.579 5.225 4.350 0.493 0.000 0.283 1128 T C -0.507 174.246 174.700 0.089 0.000 1.000 1128 T CA -0.468 61.671 62.100 0.065 0.000 0.977 1128 T CB 1.903 70.806 68.868 0.058 0.000 0.979 1128 T HN 0.450 nan 8.240 nan 0.000 0.446 1129 V N 2.118 122.082 119.914 0.083 0.000 2.495 1129 V HA 0.795 5.211 4.120 0.493 0.000 0.298 1129 V C 0.676 176.909 176.094 0.231 0.000 1.031 1129 V CA -0.737 61.662 62.300 0.166 0.000 0.871 1129 V CB 1.828 33.695 31.823 0.075 0.000 0.988 1129 V HN 1.035 nan 8.190 nan 0.000 0.432 1130 G N 2.859 111.845 108.800 0.311 0.000 2.434 1130 G HA2 0.689 4.945 3.960 0.493 0.000 0.330 1130 G HA3 0.689 4.945 3.960 0.493 0.000 0.330 1130 G C -1.564 173.578 174.900 0.404 0.000 1.155 1130 G CA -0.514 44.786 45.100 0.333 0.000 0.917 1130 G HN 0.583 nan 8.290 nan 0.000 0.493 1131 L N 1.161 122.573 121.223 0.314 0.000 2.528 1131 L HA 0.548 5.184 4.340 0.493 0.000 0.267 1131 L C 0.302 177.364 176.870 0.321 0.000 0.961 1131 L CA -0.497 54.493 54.840 0.251 0.000 0.866 1131 L CB 1.734 43.801 42.059 0.013 0.000 1.248 1131 L HN 0.747 nan 8.230 nan 0.000 0.404 1132 T N 1.717 116.422 114.554 0.251 0.000 2.907 1132 T HA 0.785 5.431 4.350 0.493 0.000 0.284 1132 T C -0.535 174.203 174.700 0.063 0.000 1.004 1132 T CA -0.735 61.472 62.100 0.178 0.000 1.063 1132 T CB 1.797 70.719 68.868 0.090 0.000 0.992 1132 T HN 0.659 nan 8.240 nan 0.000 0.483 1133 V N 2.964 122.855 119.914 -0.038 0.000 2.891 1133 V HA 0.657 5.073 4.120 0.493 0.000 0.304 1133 V C -1.991 174.009 176.094 -0.157 0.000 1.171 1133 V CA -1.102 61.122 62.300 -0.127 0.000 0.943 1133 V CB 1.715 33.312 31.823 -0.376 0.000 1.037 1133 V HN 0.905 nan 8.190 nan 0.000 0.427 1134 F N 4.569 124.423 119.950 -0.159 0.000 2.443 1134 F HA 0.881 5.701 4.527 0.488 0.000 0.335 1134 F C 0.520 176.268 175.800 -0.086 0.000 1.104 1134 F CA -0.221 57.719 58.000 -0.099 0.000 1.013 1134 F CB 2.207 41.144 39.000 -0.106 0.000 1.136 1134 F HN 0.695 nan 8.300 nan 0.000 0.470 1135 A N 3.034 125.924 122.820 0.115 0.000 2.411 1135 A HA 0.743 5.359 4.320 0.493 0.000 0.285 1135 A C -1.684 175.974 177.584 0.123 0.000 1.129 1135 A CA -0.581 51.537 52.037 0.135 0.000 0.736 1135 A CB 0.810 19.898 19.000 0.147 0.000 1.186 1135 A HN 0.504 nan 8.150 nan 0.000 0.445 1136 V N 2.487 122.456 119.914 0.091 0.000 2.495 1136 V HA 0.820 5.236 4.120 0.493 0.000 0.298 1136 V C 1.010 177.179 176.094 0.125 0.000 1.031 1136 V CA 0.748 63.096 62.300 0.080 0.000 0.871 1136 V CB 0.878 32.722 31.823 0.035 0.000 0.988 1136 V HN 2.239 nan 8.190 nan 0.000 0.432 1137 G N 5.008 113.882 108.800 0.123 0.000 2.539 1137 G HA2 -0.216 4.040 3.960 0.493 0.000 0.256 1137 G HA3 -0.216 4.040 3.960 0.493 0.000 0.256 1137 G C 0.638 175.633 174.900 0.159 0.000 1.233 1137 G CA 0.248 45.431 45.100 0.138 0.000 0.936 1137 G HN 0.590 nan 8.290 nan 0.000 0.571 1138 R N -0.442 120.138 120.500 0.134 0.000 2.293 1138 R HA -0.011 4.625 4.340 0.493 0.000 0.219 1138 R C 2.243 178.548 176.300 0.009 0.000 1.091 1138 R CA 1.685 57.807 56.100 0.036 0.000 1.004 1138 R CB -0.621 29.618 30.300 -0.102 0.000 0.865 1138 R HN 0.668 nan 8.270 nan 0.000 0.469 1139 Y N 0.623 120.920 120.300 -0.004 0.000 2.315 1139 Y HA -0.194 4.649 4.550 0.489 0.000 0.288 1139 Y C 2.282 178.238 175.900 0.094 0.000 1.154 1139 Y CA 0.911 59.069 58.100 0.096 0.000 1.229 1139 Y CB -0.297 38.276 38.460 0.187 0.000 0.980 1139 Y HN -0.018 nan 8.280 nan 0.000 0.540 1140 I N -0.163 120.533 120.570 0.209 0.000 2.113 1140 I HA -0.286 4.180 4.170 0.493 0.000 0.238 1140 I C 1.975 178.140 176.117 0.081 0.000 1.070 1140 I CA 1.583 62.965 61.300 0.136 0.000 1.332 1140 I CB -0.330 37.732 38.000 0.102 0.000 1.044 1140 I HN 0.130 nan 8.210 nan 0.000 0.402 1141 E N -0.315 119.917 120.200 0.053 0.000 2.152 1141 E HA -0.168 4.478 4.350 0.493 0.000 0.192 1141 E C 2.125 178.689 176.600 -0.060 0.000 0.983 1141 E CA 0.864 57.272 56.400 0.013 0.000 0.818 1141 E CB -0.170 29.546 29.700 0.027 0.000 0.758 1141 E HN 0.501 nan 8.360 nan 0.000 0.467 1142 H N -1.912 116.964 119.070 -0.323 0.000 2.395 1142 H HA -0.017 4.834 4.556 0.491 0.000 0.299 1142 H C 0.840 175.824 175.328 -0.573 0.000 1.070 1142 H CA 1.334 56.994 56.048 -0.647 0.000 1.356 1142 H CB 0.384 29.358 29.762 -1.314 0.000 1.401 1142 H HN 0.306 nan 8.280 nan 0.000 0.524 1143 Y N -1.922 118.456 120.300 0.129 0.000 2.435 1143 Y HA -0.012 4.840 4.550 0.503 0.000 0.270 1143 Y C 1.862 177.834 175.900 0.121 0.000 1.093 1143 Y CA -0.360 57.808 58.100 0.113 0.000 1.226 1143 Y CB 0.443 38.971 38.460 0.113 0.000 1.289 1143 Y HN -0.026 nan 8.280 nan 0.000 0.529 1144 L N 1.199 122.560 121.223 0.229 0.000 2.056 1144 L HA -0.100 4.535 4.340 0.493 0.000 0.207 1144 L C 2.365 179.319 176.870 0.141 0.000 1.078 1144 L CA 1.903 56.849 54.840 0.176 0.000 0.749 1144 L CB -0.487 41.638 42.059 0.109 0.000 0.901 1144 L HN 0.201 nan 8.230 nan 0.000 0.433 1145 E N 0.055 120.304 120.200 0.083 0.000 2.051 1145 E HA -0.272 4.374 4.350 0.493 0.000 0.192 1145 E C 1.926 178.556 176.600 0.051 0.000 0.991 1145 E CA 1.784 58.203 56.400 0.031 0.000 0.799 1145 E CB -0.072 29.633 29.700 0.008 0.000 0.748 1145 E HN 0.684 nan 8.360 nan 0.000 0.449 1146 E N -0.508 119.757 120.200 0.108 0.000 2.110 1146 E HA -0.164 4.482 4.350 0.493 0.000 0.193 1146 E C 1.971 178.650 176.600 0.131 0.000 0.988 1146 E CA 0.997 57.466 56.400 0.115 0.000 0.804 1146 E CB -0.296 29.502 29.700 0.162 0.000 0.745 1146 E HN 0.251 nan 8.360 nan 0.000 0.458 1147 F N 1.362 121.341 119.950 0.049 0.000 2.075 1147 F HA -0.193 4.621 4.527 0.479 0.000 0.297 1147 F C 1.933 177.696 175.800 -0.063 0.000 1.113 1147 F CA 1.399 59.416 58.000 0.029 0.000 1.218 1147 F CB -0.117 38.887 39.000 0.007 0.000 0.984 1147 F HN -0.092 nan 8.300 nan 0.000 0.472 1148 L N -0.678 120.511 121.223 -0.057 0.000 2.093 1148 L HA -0.187 4.449 4.340 0.493 0.000 0.208 1148 L C 2.333 178.969 176.870 -0.389 0.000 1.085 1148 L CA 1.555 56.166 54.840 -0.383 0.000 0.755 1148 L CB -1.080 40.793 42.059 -0.310 0.000 0.904 1148 L HN 0.152 nan 8.230 nan 0.000 0.435 1149 T N -0.665 113.767 114.554 -0.203 0.000 2.746 1149 T HA -0.173 4.473 4.350 0.493 0.000 0.267 1149 T C 2.125 176.724 174.700 -0.169 0.000 1.039 1149 T CA 1.762 63.769 62.100 -0.155 0.000 1.142 1149 T CB -0.172 68.651 68.868 -0.075 0.000 0.866 1149 T HN 0.545 nan 8.240 nan 0.000 0.444 1150 S N 1.576 117.199 115.700 -0.129 0.000 2.406 1150 S HA 0.142 4.907 4.470 0.493 0.000 0.228 1150 S C 2.394 176.861 174.600 -0.223 0.000 1.020 1150 S CA 0.764 58.945 58.200 -0.032 0.000 0.965 1150 S CB -0.451 62.855 63.200 0.177 0.000 0.798 1150 S HN 0.465 nan 8.310 nan 0.000 0.488 1151 A N 2.571 125.070 122.820 -0.535 0.000 1.930 1151 A HA -0.058 4.558 4.320 0.493 0.000 0.217 1151 A C 2.077 179.418 177.584 -0.404 0.000 1.175 1151 A CA 1.640 53.081 52.037 -0.993 0.000 0.627 1151 A CB -1.277 16.988 19.000 -1.225 0.000 0.815 1151 A HN 0.632 nan 8.150 nan 0.000 0.443 1152 N N -0.009 118.520 118.700 -0.285 0.000 2.094 1152 N HA -0.223 4.813 4.740 0.493 0.000 0.191 1152 N C 1.691 177.146 175.510 -0.091 0.000 1.023 1152 N CA 2.210 55.251 53.050 -0.014 0.000 0.857 1152 N CB -0.262 38.186 38.487 -0.066 0.000 1.013 1152 N HN 0.547 nan 8.380 nan 0.000 0.426 1153 K N -1.727 118.529 120.400 -0.241 0.000 2.103 1153 K HA -0.078 4.537 4.320 0.493 0.000 0.204 1153 K C 0.940 177.293 176.600 -0.411 0.000 1.052 1153 K CA 1.142 57.199 56.287 -0.384 0.000 0.945 1153 K CB 0.062 32.190 32.500 -0.620 0.000 0.722 1153 K HN 0.388 nan 8.250 nan 0.000 0.443 1154 H N -2.293 116.705 119.070 -0.120 0.000 3.241 1154 H HA 0.077 4.936 4.556 0.506 0.000 0.260 1154 H C -0.760 174.516 175.328 -0.088 0.000 1.084 1154 H CA -0.322 55.687 56.048 -0.065 0.000 1.203 1154 H CB 0.310 30.082 29.762 0.016 0.000 1.524 1154 H HN 0.030 nan 8.280 nan 0.000 0.521 1155 F N 3.484 123.227 119.950 -0.345 0.000 2.421 1155 F HA 0.240 5.048 4.527 0.467 0.000 0.358 1155 F C 0.668 176.429 175.800 -0.064 0.000 1.115 1155 F CA -0.685 57.128 58.000 -0.312 0.000 1.160 1155 F CB 0.363 39.011 39.000 -0.587 0.000 1.123 1155 F HN -0.019 nan 8.300 nan 0.000 0.508 1156 M N 5.237 124.563 119.600 -0.456 0.000 2.249 1156 M HA -0.185 4.591 4.480 0.493 0.000 0.198 1156 M C -0.564 175.709 176.300 -0.045 0.000 0.394 1156 M CA 0.290 55.389 55.300 -0.335 0.000 0.427 1156 M CB -2.827 29.414 32.600 -0.597 0.000 1.307 1156 M HN 0.188 nan 8.290 nan 0.000 0.924 1157 V N 0.392 120.308 119.914 0.002 0.000 2.673 1157 V HA 0.382 4.797 4.120 0.493 0.000 0.303 1157 V C 1.708 177.804 176.094 0.003 0.000 1.046 1157 V CA 1.724 64.029 62.300 0.009 0.000 1.126 1157 V CB 1.055 32.889 31.823 0.019 0.000 0.934 1157 V HN 1.006 nan 8.190 nan 0.000 0.487 1158 G N 3.300 112.046 108.800 -0.090 0.000 2.194 1158 G HA2 -0.164 4.092 3.960 0.493 0.000 0.236 1158 G HA3 -0.164 4.092 3.960 0.493 0.000 0.236 1158 G C 0.064 174.632 174.900 -0.554 0.000 0.987 1158 G CA 0.027 44.964 45.100 -0.272 0.000 0.635 1158 G HN 0.771 nan 8.290 nan 0.000 0.520 1159 H N 0.239 119.276 119.070 -0.055 0.000 2.747 1159 H HA 0.423 5.275 4.556 0.493 0.000 0.371 1159 H C -2.683 172.603 175.328 -0.071 0.000 1.161 1159 H CA -1.790 54.225 56.048 -0.056 0.000 1.167 1159 H CB 2.102 31.816 29.762 -0.080 0.000 1.732 1159 H HN 0.024 nan 8.280 nan 0.000 0.544 1160 P HA 0.025 nan 4.420 nan 0.000 0.268 1160 P C -0.494 176.788 177.300 -0.030 0.000 1.204 1160 P CA 0.052 63.148 63.100 -0.008 0.000 0.768 1160 P CB 0.699 32.401 31.700 0.005 0.000 0.842 1161 V N 5.138 124.980 119.914 -0.120 0.000 2.789 1161 V HA 0.441 4.857 4.120 0.493 0.000 0.311 1161 V C 0.000 175.871 176.094 -0.371 0.000 1.073 1161 V CA -0.560 61.618 62.300 -0.202 0.000 0.921 1161 V CB 2.095 33.758 31.823 -0.267 0.000 1.009 1161 V HN 0.339 nan 8.190 nan 0.000 0.426 1162 I N 4.310 124.663 120.570 -0.363 0.000 2.418 1162 I HA 0.459 4.925 4.170 0.493 0.000 0.287 1162 I C -0.916 174.825 176.117 -0.627 0.000 1.008 1162 I CA -0.215 60.790 61.300 -0.492 0.000 1.104 1162 I CB 1.460 39.200 38.000 -0.432 0.000 1.264 1162 I HN 0.419 nan 8.210 nan 0.000 0.438 1163 F N 5.466 125.276 119.950 -0.233 0.000 2.420 1163 F HA 0.363 5.182 4.527 0.487 0.000 0.352 1163 F C -0.316 175.367 175.800 -0.194 0.000 1.108 1163 F CA -0.559 57.339 58.000 -0.170 0.000 1.162 1163 F CB 0.567 39.544 39.000 -0.039 0.000 1.118 1163 F HN 0.308 nan 8.300 nan 0.000 0.510 1164 Y N 4.153 124.638 120.300 0.308 0.000 2.369 1164 Y HA 0.503 5.347 4.550 0.490 0.000 0.337 1164 Y C -0.351 175.617 175.900 0.113 0.000 0.961 1164 Y CA -0.857 57.386 58.100 0.239 0.000 1.186 1164 Y CB 0.844 39.429 38.460 0.209 0.000 1.139 1164 Y HN 0.368 nan 8.280 nan 0.000 0.494 1165 I N 4.548 125.268 120.570 0.250 0.000 2.339 1165 I HA 0.322 4.788 4.170 0.493 0.000 0.290 1165 I C -0.592 175.529 176.117 0.008 0.000 0.994 1165 I CA -0.481 60.869 61.300 0.083 0.000 1.191 1165 I CB 1.064 39.138 38.000 0.123 0.000 1.343 1165 I HN 0.494 nan 8.210 nan 0.000 0.458 1166 M N 7.947 127.406 119.600 -0.235 0.000 2.114 1166 M HA 0.535 5.311 4.480 0.493 0.000 0.332 1166 M C -0.639 175.587 176.300 -0.124 0.000 1.014 1166 M CA -0.526 54.592 55.300 -0.303 0.000 0.956 1166 M CB 1.468 33.482 32.600 -0.976 0.000 1.551 1166 M HN 0.392 nan 8.290 nan 0.000 0.427 1167 V N 0.253 120.168 119.914 0.002 0.000 3.040 1167 V HA 0.688 5.104 4.120 0.493 0.000 0.312 1167 V C 0.138 176.273 176.094 0.069 0.000 1.115 1167 V CA -0.779 61.551 62.300 0.050 0.000 0.998 1167 V CB 2.128 33.983 31.823 0.054 0.000 1.042 1167 V HN 0.842 nan 8.190 nan 0.000 0.433 1168 D N 0.087 120.532 120.400 0.075 0.000 2.333 1168 D HA 0.046 4.982 4.640 0.493 0.000 0.208 1168 D C 0.080 176.416 176.300 0.060 0.000 0.984 1168 D CA 0.650 54.692 54.000 0.070 0.000 0.873 1168 D CB 0.459 41.299 40.800 0.068 0.000 0.935 1168 D HN 0.695 nan 8.370 nan 0.000 0.521 1169 D N 0.242 120.677 120.400 0.058 0.000 2.479 1169 D HA 0.109 5.044 4.640 0.493 0.000 0.246 1169 D C 0.774 177.102 176.300 0.047 0.000 1.336 1169 D CA -0.672 53.357 54.000 0.049 0.000 0.967 1169 D CB 2.016 42.844 40.800 0.047 0.000 1.275 1169 D HN -0.257 nan 8.370 nan 0.000 0.577 1170 V N 2.852 122.791 119.914 0.042 0.000 2.809 1170 V HA -0.142 4.273 4.120 0.493 0.000 0.256 1170 V C 2.354 178.470 176.094 0.036 0.000 1.080 1170 V CA 1.946 64.269 62.300 0.039 0.000 1.102 1170 V CB -0.452 31.387 31.823 0.027 0.000 0.705 1170 V HN 0.693 nan 8.190 nan 0.000 0.475 1171 S N 0.490 116.210 115.700 0.032 0.000 2.474 1171 S HA -0.124 4.641 4.470 0.493 0.000 0.235 1171 S C 1.806 176.425 174.600 0.031 0.000 0.997 1171 S CA 0.816 59.033 58.200 0.028 0.000 0.949 1171 S CB -0.366 62.849 63.200 0.024 0.000 0.766 1171 S HN 0.638 nan 8.310 nan 0.000 0.517 1172 R N -0.155 120.367 120.500 0.037 0.000 2.334 1172 R HA 0.329 4.965 4.340 0.493 0.000 0.216 1172 R C 0.306 176.629 176.300 0.039 0.000 0.905 1172 R CA -0.154 55.968 56.100 0.037 0.000 1.064 1172 R CB -0.012 30.314 30.300 0.043 0.000 1.046 1172 R HN 0.420 nan 8.270 nan 0.000 0.508 1173 M N 3.585 123.212 119.600 0.044 0.000 2.227 1173 M HA 0.130 4.906 4.480 0.493 0.000 0.349 1173 M C -2.080 174.241 176.300 0.035 0.000 1.443 1173 M CA -1.521 53.808 55.300 0.048 0.000 1.110 1173 M CB 0.941 33.583 32.600 0.070 0.000 1.773 1173 M HN -0.175 nan 8.290 nan 0.000 0.463 1174 P HA 0.080 nan 4.420 nan 0.000 0.270 1174 P C -0.858 176.425 177.300 -0.028 0.000 1.242 1174 P CA 0.047 63.143 63.100 -0.005 0.000 0.768 1174 P CB 0.206 31.897 31.700 -0.015 0.000 0.820 1175 L N 5.663 126.886 121.223 -0.001 0.000 2.466 1175 L HA 0.231 4.867 4.340 0.493 0.000 0.248 1175 L C 1.214 178.064 176.870 -0.033 0.000 1.240 1175 L CA -0.853 53.995 54.840 0.014 0.000 1.180 1175 L CB -0.443 41.671 42.059 0.092 0.000 1.413 1175 L HN 0.384 nan 8.230 nan 0.000 0.406 1176 I N -1.998 118.501 120.570 -0.119 0.000 3.060 1176 I HA 0.169 4.635 4.170 0.493 0.000 0.285 1176 I C 0.482 176.551 176.117 -0.081 0.000 1.190 1176 I CA -0.406 60.833 61.300 -0.102 0.000 1.363 1176 I CB 0.562 38.479 38.000 -0.139 0.000 1.396 1176 I HN 0.378 nan 8.210 nan 0.000 0.607 1177 E N 3.496 123.668 120.200 -0.047 0.000 2.289 1177 E HA 0.412 5.058 4.350 0.493 0.000 0.278 1177 E C -1.243 175.341 176.600 -0.027 0.000 1.032 1177 E CA -0.579 55.811 56.400 -0.017 0.000 0.854 1177 E CB 0.942 30.637 29.700 -0.008 0.000 1.046 1177 E HN 0.554 nan 8.360 nan 0.000 0.409 1178 L N 3.113 124.342 121.223 0.010 0.000 2.334 1178 L HA 0.578 5.213 4.340 0.493 0.000 0.270 1178 L C 0.797 177.683 176.870 0.027 0.000 1.018 1178 L CA -0.826 54.032 54.840 0.030 0.000 0.811 1178 L CB 1.726 43.841 42.059 0.092 0.000 1.271 1178 L HN 0.672 nan 8.230 nan 0.000 0.443 1179 G N 0.487 109.300 108.800 0.021 0.000 2.568 1179 G HA2 0.552 4.808 3.960 0.493 0.000 0.293 1179 G HA3 0.552 4.808 3.960 0.493 0.000 0.293 1179 G C -2.712 172.189 174.900 0.002 0.000 1.347 1179 G CA -1.351 43.751 45.100 0.003 0.000 1.039 1179 G HN 0.325 nan 8.290 nan 0.000 0.523 1180 P HA 0.187 nan 4.420 nan 0.000 0.265 1180 P C 0.556 177.840 177.300 -0.027 0.000 1.193 1180 P CA 0.236 63.325 63.100 -0.017 0.000 0.765 1180 P CB 0.457 32.143 31.700 -0.023 0.000 0.823 1181 L N -1.248 119.957 121.223 -0.030 0.000 4.759 1181 L HA -0.273 4.362 4.340 0.493 0.000 0.419 1181 L C 0.233 177.059 176.870 -0.073 0.000 1.093 1181 L CA 0.720 55.533 54.840 -0.045 0.000 1.037 1181 L CB -1.098 40.931 42.059 -0.050 0.000 2.095 1181 L HN 0.496 nan 8.230 nan 0.000 0.739 1182 R N 0.215 120.678 120.500 -0.062 0.000 2.589 1182 R HA 0.756 5.392 4.340 0.493 0.000 0.293 1182 R C 0.034 176.306 176.300 -0.046 0.000 0.963 1182 R CA 0.372 56.397 56.100 -0.124 0.000 0.905 1182 R CB 2.005 32.295 30.300 -0.016 0.000 1.144 1182 R HN 0.252 nan 8.270 nan 0.000 0.459 1183 S N 1.356 117.004 115.700 -0.087 0.000 2.705 1183 S HA 0.824 5.589 4.470 0.493 0.000 0.280 1183 S C -1.000 173.723 174.600 0.204 0.000 1.174 1183 S CA -0.943 57.310 58.200 0.089 0.000 0.823 1183 S CB 1.322 64.524 63.200 0.002 0.000 1.162 1183 S HN 0.542 nan 8.310 nan 0.000 0.487 1184 F N -1.413 118.504 119.950 -0.055 0.000 2.789 1184 F HA 0.893 5.717 4.527 0.495 0.000 0.319 1184 F C -1.559 174.199 175.800 -0.071 0.000 1.168 1184 F CA -1.259 56.714 58.000 -0.045 0.000 0.934 1184 F CB 1.390 40.447 39.000 0.095 0.000 1.375 1184 F HN 0.934 nan 8.300 nan 0.000 0.480 1185 K N 0.593 120.956 120.400 -0.063 0.000 2.551 1185 K HA 0.776 5.392 4.320 0.493 0.000 0.269 1185 K C -2.374 174.101 176.600 -0.209 0.000 0.949 1185 K CA -1.006 55.084 56.287 -0.330 0.000 0.849 1185 K CB 2.608 34.888 32.500 -0.367 0.000 1.411 1185 K HN 0.592 nan 8.250 nan 0.000 0.432 1186 V N 1.861 121.536 119.914 -0.397 0.000 2.628 1186 V HA 0.580 4.996 4.120 0.493 0.000 0.306 1186 V C -1.193 174.602 176.094 -0.498 0.000 1.045 1186 V CA -0.682 61.476 62.300 -0.236 0.000 0.905 1186 V CB 0.990 32.794 31.823 -0.031 0.000 0.997 1186 V HN 0.661 nan 8.190 nan 0.000 0.436 1187 F N 2.023 121.976 119.950 0.004 0.000 2.551 1187 F HA 0.525 5.347 4.527 0.491 0.000 0.316 1187 F C 0.131 175.930 175.800 -0.001 0.000 1.089 1187 F CA -0.792 57.214 58.000 0.010 0.000 0.915 1187 F CB 1.960 40.979 39.000 0.032 0.000 1.186 1187 F HN 0.301 nan 8.300 nan 0.000 0.456 1188 K N 4.984 125.507 120.400 0.205 0.000 2.258 1188 K HA 0.604 5.220 4.320 0.493 0.000 0.284 1188 K C -0.829 175.853 176.600 0.136 0.000 1.051 1188 K CA -0.283 56.081 56.287 0.128 0.000 0.923 1188 K CB 0.582 33.136 32.500 0.091 0.000 1.046 1188 K HN 0.761 nan 8.250 nan 0.000 0.474 1189 I N -0.119 120.515 120.570 0.108 0.000 2.910 1189 I HA 0.456 4.922 4.170 0.493 0.000 0.310 1189 I C -0.611 175.555 176.117 0.082 0.000 1.043 1189 I CA -1.309 60.054 61.300 0.104 0.000 1.053 1189 I CB 1.637 39.714 38.000 0.129 0.000 1.242 1189 I HN 0.442 nan 8.210 nan 0.000 0.452 1190 K N 3.677 124.118 120.400 0.069 0.000 2.412 1190 K HA 0.294 4.910 4.320 0.493 0.000 0.281 1190 K C -2.271 174.359 176.600 0.051 0.000 1.027 1190 K CA -1.341 54.976 56.287 0.050 0.000 0.989 1190 K CB 0.468 32.989 32.500 0.035 0.000 0.935 1190 K HN 0.460 nan 8.250 nan 0.000 0.475 1191 P HA 0.098 nan 4.420 nan 0.000 0.287 1191 P C -0.986 176.327 177.300 0.021 0.000 1.307 1191 P CA -0.285 62.839 63.100 0.039 0.000 0.777 1191 P CB 0.977 32.702 31.700 0.042 0.000 0.883 1192 E N 2.601 122.805 120.200 0.007 0.000 2.404 1192 E HA -0.029 4.617 4.350 0.493 0.000 0.261 1192 E C 1.005 177.599 176.600 -0.010 0.000 1.074 1192 E CA -0.104 56.289 56.400 -0.012 0.000 0.917 1192 E CB 1.040 30.718 29.700 -0.037 0.000 0.965 1192 E HN 0.378 nan 8.360 nan 0.000 0.433 1193 K N 1.833 122.221 120.400 -0.020 0.000 2.155 1193 K HA -0.058 4.558 4.320 0.493 0.000 0.203 1193 K C 0.316 176.903 176.600 -0.022 0.000 1.052 1193 K CA 1.101 57.381 56.287 -0.012 0.000 0.948 1193 K CB 0.316 32.805 32.500 -0.017 0.000 0.728 1193 K HN 0.224 nan 8.250 nan 0.000 0.448 1194 R N 0.556 121.009 120.500 -0.078 0.000 2.407 1194 R HA 0.116 4.752 4.340 0.493 0.000 0.303 1194 R C 0.885 177.081 176.300 -0.174 0.000 0.981 1194 R CA -0.370 55.634 56.100 -0.159 0.000 0.905 1194 R CB 0.517 30.652 30.300 -0.276 0.000 1.099 1194 R HN 0.356 nan 8.270 nan 0.000 0.459 1195 W N 3.172 124.400 121.300 -0.119 0.000 2.350 1195 W HA -0.236 4.719 4.660 0.491 0.000 0.289 1195 W C 0.414 176.790 176.519 -0.239 0.000 1.215 1195 W CA 0.853 58.097 57.345 -0.169 0.000 1.236 1195 W CB -0.396 28.973 29.460 -0.153 0.000 1.130 1195 W HN 0.563 nan 8.180 nan 0.000 0.541 1196 Q N 1.150 120.252 119.800 -1.163 0.000 2.096 1196 Q HA -0.169 4.467 4.340 0.493 0.000 0.204 1196 Q C 1.813 177.506 176.000 -0.511 0.000 0.982 1196 Q CA 2.376 57.470 55.803 -1.180 0.000 0.850 1196 Q CB -0.632 27.318 28.738 -1.313 0.000 0.901 1196 Q HN 0.224 nan 8.270 nan 0.000 0.422 1197 D N -0.302 119.883 120.400 -0.359 0.000 2.234 1197 D HA -0.025 4.911 4.640 0.493 0.000 0.205 1197 D C 1.775 177.993 176.300 -0.136 0.000 0.962 1197 D CA 0.584 54.472 54.000 -0.185 0.000 0.855 1197 D CB 0.065 40.785 40.800 -0.133 0.000 0.951 1197 D HN 0.262 nan 8.370 nan 0.000 0.500 1198 I N 0.464 120.954 120.570 -0.134 0.000 2.179 1198 I HA -0.264 4.202 4.170 0.493 0.000 0.242 1198 I C 2.554 178.563 176.117 -0.179 0.000 1.088 1198 I CA 0.841 62.069 61.300 -0.119 0.000 1.357 1198 I CB -0.207 37.739 38.000 -0.089 0.000 1.051 1198 I HN -0.074 nan 8.210 nan 0.000 0.409 1199 S N 0.500 116.112 115.700 -0.146 0.000 2.356 1199 S HA -0.180 4.586 4.470 0.493 0.000 0.223 1199 S C 2.129 176.641 174.600 -0.146 0.000 1.032 1199 S CA 1.459 59.576 58.200 -0.139 0.000 1.005 1199 S CB -0.121 63.065 63.200 -0.023 0.000 0.867 1199 S HN 0.268 nan 8.310 nan 0.000 0.449 1200 M N -0.155 119.386 119.600 -0.098 0.000 2.156 1200 M HA -0.025 4.751 4.480 0.493 0.000 0.264 1200 M C 2.269 178.569 176.300 -0.001 0.000 1.067 1200 M CA 1.284 56.572 55.300 -0.020 0.000 1.131 1200 M CB -0.348 32.258 32.600 0.009 0.000 1.368 1200 M HN 0.371 nan 8.290 nan 0.000 0.416 1201 M N 0.433 120.003 119.600 -0.049 0.000 2.358 1201 M HA -0.126 4.650 4.480 0.493 0.000 0.264 1201 M C 1.828 177.938 176.300 -0.317 0.000 1.064 1201 M CA 1.661 56.889 55.300 -0.121 0.000 1.093 1201 M CB -0.387 32.160 32.600 -0.088 0.000 1.401 1201 M HN 0.056 nan 8.290 nan 0.000 0.440 1202 R N -0.978 119.254 120.500 -0.448 0.000 2.117 1202 R HA -0.195 4.440 4.340 0.493 0.000 0.243 1202 R C 1.969 178.058 176.300 -0.352 0.000 1.143 1202 R CA 1.699 57.346 56.100 -0.754 0.000 0.968 1202 R CB -0.520 29.174 30.300 -1.011 0.000 0.863 1202 R HN 0.404 nan 8.270 nan 0.000 0.444 1203 M N 0.652 120.106 119.600 -0.243 0.000 2.117 1203 M HA -0.176 4.600 4.480 0.493 0.000 0.262 1203 M C 2.181 178.295 176.300 -0.310 0.000 1.065 1203 M CA 1.591 56.794 55.300 -0.162 0.000 1.114 1203 M CB -0.732 31.847 32.600 -0.036 0.000 1.361 1203 M HN 0.097 nan 8.290 nan 0.000 0.408 1204 K N -0.260 119.719 120.400 -0.702 0.000 2.025 1204 K HA -0.113 4.503 4.320 0.493 0.000 0.207 1204 K C 1.838 178.218 176.600 -0.367 0.000 1.049 1204 K CA 1.782 57.555 56.287 -0.856 0.000 0.933 1204 K CB 0.003 31.584 32.500 -1.531 0.000 0.714 1204 K HN 0.214 nan 8.250 nan 0.000 0.438 1205 T N 1.807 116.224 114.554 -0.228 0.000 2.746 1205 T HA -0.107 4.538 4.350 0.493 0.000 0.267 1205 T C 1.882 176.648 174.700 0.111 0.000 1.039 1205 T CA 1.522 63.638 62.100 0.027 0.000 1.142 1205 T CB -0.172 68.831 68.868 0.224 0.000 0.866 1205 T HN 0.196 nan 8.240 nan 0.000 0.444 1206 I N 1.207 121.832 120.570 0.092 0.000 2.208 1206 I HA -0.139 4.327 4.170 0.493 0.000 0.245 1206 I C 2.890 178.981 176.117 -0.042 0.000 1.097 1206 I CA 1.378 62.709 61.300 0.053 0.000 1.363 1206 I CB -0.705 37.344 38.000 0.082 0.000 1.051 1206 I HN 0.320 nan 8.210 nan 0.000 0.413 1207 G N 0.131 108.882 108.800 -0.082 0.000 2.418 1207 G HA2 -0.224 4.032 3.960 0.493 0.000 0.217 1207 G HA3 -0.224 4.032 3.960 0.493 0.000 0.217 1207 G C 1.510 176.326 174.900 -0.140 0.000 1.158 1207 G CA 0.586 45.617 45.100 -0.115 0.000 0.771 1207 G HN 0.404 nan 8.290 nan 0.000 0.545 1208 E N -0.276 119.841 120.200 -0.139 0.000 2.085 1208 E HA -0.137 4.509 4.350 0.493 0.000 0.194 1208 E C 2.256 178.684 176.600 -0.287 0.000 0.994 1208 E CA 0.906 57.190 56.400 -0.193 0.000 0.801 1208 E CB -0.202 29.379 29.700 -0.199 0.000 0.743 1208 E HN 0.514 nan 8.360 nan 0.000 0.453 1209 H N -0.076 118.814 119.070 -0.300 0.000 2.423 1209 H HA -0.032 4.821 4.556 0.495 0.000 0.297 1209 H C 2.227 177.162 175.328 -0.654 0.000 1.075 1209 H CA 0.936 56.690 56.048 -0.490 0.000 1.342 1209 H CB 0.129 29.567 29.762 -0.540 0.000 1.395 1209 H HN 0.192 nan 8.280 nan 0.000 0.530 1210 I N 0.094 120.459 120.570 -0.341 0.000 2.252 1210 I HA -0.213 4.253 4.170 0.493 0.000 0.245 1210 I C 2.448 178.367 176.117 -0.330 0.000 1.102 1210 I CA 0.630 61.717 61.300 -0.355 0.000 1.385 1210 I CB -0.099 37.762 38.000 -0.232 0.000 1.064 1210 I HN -0.006 nan 8.210 nan 0.000 0.414 1211 V N 0.936 120.700 119.914 -0.250 0.000 2.358 1211 V HA -0.246 4.170 4.120 0.493 0.000 0.246 1211 V C 2.642 178.637 176.094 -0.166 0.000 1.047 1211 V CA 1.950 64.134 62.300 -0.193 0.000 1.035 1211 V CB -0.906 30.836 31.823 -0.135 0.000 0.658 1211 V HN 0.478 nan 8.190 nan 0.000 0.452 1212 A N 0.174 122.885 122.820 -0.181 0.000 1.929 1212 A HA -0.145 4.471 4.320 0.493 0.000 0.216 1212 A C 1.893 179.536 177.584 0.099 0.000 1.176 1212 A CA 2.280 54.286 52.037 -0.051 0.000 0.628 1212 A CB -0.338 18.614 19.000 -0.081 0.000 0.816 1212 A HN 0.937 nan 8.150 nan 0.000 0.444 1213 H N -5.142 113.884 119.070 -0.074 0.000 3.337 1213 H HA 0.317 5.169 4.556 0.493 0.000 0.222 1213 H C 1.381 176.680 175.328 -0.047 0.000 0.942 1213 H CA 0.157 56.229 56.048 0.041 0.000 1.006 1213 H CB -0.344 29.473 29.762 0.092 0.000 1.252 1213 H HN 0.179 nan 8.280 nan 0.000 0.624 1214 I N 2.481 122.657 120.570 -0.657 0.000 2.394 1214 I HA -0.219 4.246 4.170 0.493 0.000 0.251 1214 I C 2.476 178.462 176.117 -0.218 0.000 1.136 1214 I CA 1.777 62.850 61.300 -0.379 0.000 1.425 1214 I CB -0.306 37.339 38.000 -0.592 0.000 1.079 1214 I HN 0.483 nan 8.210 nan 0.000 0.425 1215 Q N 0.425 120.013 119.800 -0.354 0.000 2.291 1215 Q HA -0.222 4.414 4.340 0.493 0.000 0.206 1215 Q C 1.502 177.306 176.000 -0.327 0.000 0.976 1215 Q CA 1.476 57.064 55.803 -0.358 0.000 0.875 1215 Q CB -0.391 28.073 28.738 -0.457 0.000 0.927 1215 Q HN 0.577 nan 8.270 nan 0.000 0.450 1216 H N 0.030 119.094 119.070 -0.010 0.000 2.553 1216 H HA 0.194 5.047 4.556 0.494 0.000 0.265 1216 H C 0.722 176.079 175.328 0.048 0.000 0.964 1216 H CA 0.750 56.809 56.048 0.019 0.000 1.156 1216 H CB 0.575 30.359 29.762 0.036 0.000 1.411 1216 H HN 0.542 nan 8.280 nan 0.000 0.558 1217 E N 0.485 120.777 120.200 0.153 0.000 2.372 1217 E HA 0.093 4.739 4.350 0.493 0.000 0.201 1217 E C 0.370 177.052 176.600 0.136 0.000 0.938 1217 E CA 0.096 56.606 56.400 0.182 0.000 0.944 1217 E CB 1.282 31.166 29.700 0.308 0.000 0.937 1217 E HN 0.132 nan 8.360 nan 0.000 0.495 1218 V N -2.144 117.826 119.914 0.092 0.000 3.078 1218 V HA 0.332 4.748 4.120 0.493 0.000 0.311 1218 V C -0.163 175.909 176.094 -0.035 0.000 1.138 1218 V CA -0.850 61.493 62.300 0.072 0.000 1.007 1218 V CB 2.200 34.112 31.823 0.149 0.000 1.045 1218 V HN -0.133 nan 8.190 nan 0.000 0.432 1219 D N 0.890 121.243 120.400 -0.078 0.000 2.240 1219 D HA 0.204 5.139 4.640 0.493 0.000 0.206 1219 D C -0.320 175.557 176.300 -0.706 0.000 0.963 1219 D CA 1.693 55.488 54.000 -0.341 0.000 0.863 1219 D CB 0.432 41.074 40.800 -0.263 0.000 0.973 1219 D HN 0.518 nan 8.370 nan 0.000 0.501 1220 F N -0.138 119.791 119.950 -0.036 0.000 2.613 1220 F HA 0.432 5.260 4.527 0.501 0.000 0.310 1220 F C -0.738 175.056 175.800 -0.011 0.000 1.085 1220 F CA -1.195 56.764 58.000 -0.068 0.000 0.945 1220 F CB 2.093 41.021 39.000 -0.120 0.000 1.298 1220 F HN -0.335 nan 8.300 nan 0.000 0.455 1221 L N 1.981 123.270 121.223 0.110 0.000 2.431 1221 L HA 0.696 5.332 4.340 0.493 0.000 0.266 1221 L C -1.987 174.833 176.870 -0.084 0.000 0.978 1221 L CA -0.558 54.345 54.840 0.105 0.000 0.822 1221 L CB 1.496 43.580 42.059 0.042 0.000 1.310 1221 L HN 0.461 nan 8.230 nan 0.000 0.409 1222 F N 2.847 122.907 119.950 0.184 0.000 2.458 1222 F HA 0.642 5.489 4.527 0.533 0.000 0.330 1222 F C -0.142 175.600 175.800 -0.098 0.000 1.082 1222 F CA -0.188 57.847 58.000 0.059 0.000 0.995 1222 F CB 1.803 40.892 39.000 0.150 0.000 1.170 1222 F HN 0.418 nan 8.300 nan 0.000 0.478 1223 C N 4.210 123.395 119.300 -0.192 0.000 2.340 1223 C HA 0.745 5.501 4.460 0.493 0.000 0.323 1223 C C -0.264 174.528 174.990 -0.328 0.000 1.260 1223 C CA -1.069 57.724 59.018 -0.375 0.000 1.464 1223 C CB 0.012 27.235 27.740 -0.862 0.000 2.156 1223 C HN 0.684 nan 8.230 nan 0.000 0.476 1224 M N 1.757 121.273 119.600 -0.141 0.000 2.572 1224 M HA 0.349 5.125 4.480 0.493 0.000 0.299 1224 M C -1.036 175.145 176.300 -0.199 0.000 1.205 1224 M CA -0.444 54.773 55.300 -0.139 0.000 0.876 1224 M CB 1.895 34.467 32.600 -0.048 0.000 1.728 1224 M HN 0.551 nan 8.290 nan 0.000 0.458 1225 D N 0.990 121.265 120.400 -0.208 0.000 2.400 1225 D HA 0.026 4.962 4.640 0.493 0.000 0.238 1225 D C 0.545 176.599 176.300 -0.409 0.000 1.157 1225 D CA 0.085 53.944 54.000 -0.234 0.000 0.889 1225 D CB 1.422 42.089 40.800 -0.222 0.000 1.199 1225 D HN 0.328 nan 8.370 nan 0.000 0.436 1226 V N 1.232 120.941 119.914 -0.341 0.000 3.354 1226 V HA -0.072 4.344 4.120 0.493 0.000 0.258 1226 V C 0.412 176.369 176.094 -0.228 0.000 1.159 1226 V CA 0.682 62.710 62.300 -0.452 0.000 1.125 1226 V CB -0.181 31.546 31.823 -0.160 0.000 0.774 1226 V HN 0.545 nan 8.190 nan 0.000 0.464 1227 D N 1.811 122.025 120.400 -0.309 0.000 2.994 1227 D HA 0.124 5.059 4.640 0.493 0.000 0.240 1227 D C 0.150 176.255 176.300 -0.325 0.000 1.195 1227 D CA -0.149 53.442 54.000 -0.680 0.000 0.957 1227 D CB -0.109 40.218 40.800 -0.789 0.000 1.105 1227 D HN 0.765 nan 8.370 nan 0.000 0.477 1228 Q N -1.864 117.886 119.800 -0.084 0.000 2.687 1228 Q HA 0.619 5.255 4.340 0.493 0.000 0.295 1228 Q C -1.800 174.290 176.000 0.151 0.000 0.920 1228 Q CA -1.199 54.629 55.803 0.042 0.000 0.766 1228 Q CB 1.578 30.309 28.738 -0.013 0.000 1.467 1228 Q HN -0.047 nan 8.270 nan 0.000 0.415 1229 V N 1.199 121.167 119.914 0.089 0.000 2.733 1229 V HA 0.440 4.856 4.120 0.493 0.000 0.306 1229 V C -1.040 175.076 176.094 0.036 0.000 1.084 1229 V CA -0.693 61.668 62.300 0.101 0.000 0.905 1229 V CB 1.587 33.509 31.823 0.165 0.000 1.010 1229 V HN 0.693 nan 8.190 nan 0.000 0.424 1230 F N 3.295 123.245 119.950 -0.000 0.000 2.529 1230 F HA 0.234 5.074 4.527 0.521 0.000 0.365 1230 F C 1.506 177.334 175.800 0.046 0.000 1.102 1230 F CA 0.438 58.459 58.000 0.035 0.000 1.271 1230 F CB 0.803 39.834 39.000 0.051 0.000 1.120 1230 F HN 0.501 nan 8.300 nan 0.000 0.579 1231 Q N 0.842 120.677 119.800 0.058 0.000 2.280 1231 Q HA 0.182 4.818 4.340 0.493 0.000 0.244 1231 Q C -0.219 175.509 176.000 -0.453 0.000 0.847 1231 Q CA 0.393 56.154 55.803 -0.070 0.000 0.945 1231 Q CB 1.125 29.905 28.738 0.071 0.000 1.115 1231 Q HN 0.669 nan 8.270 nan 0.000 0.513 1232 D N -0.455 119.574 120.400 -0.618 0.000 2.713 1232 D HA 0.133 5.069 4.640 0.493 0.000 0.306 1232 D C -0.946 175.234 176.300 -0.201 0.000 1.299 1232 D CA -0.478 53.199 54.000 -0.538 0.000 0.823 1232 D CB 1.366 42.071 40.800 -0.158 0.000 1.353 1232 D HN -0.319 nan 8.370 nan 0.000 0.447 1233 K N 0.990 121.420 120.400 0.050 0.000 2.472 1233 K HA 0.077 4.693 4.320 0.493 0.000 0.280 1233 K C -0.246 176.481 176.600 0.211 0.000 1.028 1233 K CA 0.324 56.724 56.287 0.189 0.000 1.045 1233 K CB -0.141 32.458 32.500 0.165 0.000 0.902 1233 K HN 0.321 nan 8.250 nan 0.000 0.478 1234 F N 2.601 122.637 119.950 0.143 0.000 2.451 1234 F HA 0.337 5.138 4.527 0.456 0.000 0.367 1234 F C 0.486 176.276 175.800 -0.017 0.000 1.100 1234 F CA -0.484 57.640 58.000 0.207 0.000 1.171 1234 F CB 0.631 39.927 39.000 0.493 0.000 1.405 1234 F HN 0.572 nan 8.300 nan 0.000 0.482 1235 G N 1.628 110.442 108.800 0.023 0.000 2.971 1235 G HA2 0.327 4.583 3.960 0.493 0.000 0.235 1235 G HA3 0.327 4.583 3.960 0.493 0.000 0.235 1235 G C 0.689 175.447 174.900 -0.237 0.000 1.351 1235 G CA -0.113 44.929 45.100 -0.096 0.000 1.039 1235 G HN 0.491 nan 8.290 nan 0.000 0.563 1236 V N -0.638 119.125 119.914 -0.251 0.000 3.141 1236 V HA -0.010 4.405 4.120 0.493 0.000 0.265 1236 V C 2.173 178.032 176.094 -0.391 0.000 1.126 1236 V CA 2.030 64.096 62.300 -0.390 0.000 1.141 1236 V CB -0.552 31.056 31.823 -0.358 0.000 0.743 1236 V HN 0.719 nan 8.190 nan 0.000 0.492 1237 E N 2.791 122.766 120.200 -0.376 0.000 2.401 1237 E HA -0.220 4.425 4.350 0.493 0.000 0.199 1237 E C 1.757 178.020 176.600 -0.561 0.000 1.023 1237 E CA 1.785 57.874 56.400 -0.518 0.000 0.859 1237 E CB -0.853 28.550 29.700 -0.495 0.000 0.780 1237 E HN 0.811 nan 8.360 nan 0.000 0.523 1238 T N -1.289 112.974 114.554 -0.484 0.000 3.086 1238 T HA 0.262 4.908 4.350 0.493 0.000 0.250 1238 T C 1.097 175.710 174.700 -0.146 0.000 1.074 1238 T CA -0.379 61.486 62.100 -0.391 0.000 0.988 1238 T CB -0.221 68.368 68.868 -0.465 0.000 0.988 1238 T HN 0.009 nan 8.240 nan 0.000 0.530 1239 L N 1.497 122.502 121.223 -0.363 0.000 2.417 1239 L HA 0.675 5.311 4.340 0.493 0.000 0.268 1239 L C 0.918 177.501 176.870 -0.479 0.000 1.158 1239 L CA -0.167 54.325 54.840 -0.580 0.000 0.819 1239 L CB 0.723 42.026 42.059 -1.260 0.000 1.112 1239 L HN 0.460 nan 8.230 nan 0.000 0.458 1240 G N 0.787 109.386 108.800 -0.335 0.000 2.441 1240 G HA2 0.145 4.400 3.960 0.493 0.000 0.294 1240 G HA3 0.145 4.400 3.960 0.493 0.000 0.294 1240 G C -0.117 174.905 174.900 0.204 0.000 1.393 1240 G CA -0.448 44.641 45.100 -0.019 0.000 0.796 1240 G HN 0.439 nan 8.290 nan 0.000 0.494 1241 E N -0.422 119.902 120.200 0.208 0.000 2.051 1241 E HA -0.050 4.596 4.350 0.493 0.000 0.192 1241 E C 1.265 177.952 176.600 0.146 0.000 0.991 1241 E CA 1.900 58.414 56.400 0.189 0.000 0.799 1241 E CB -0.111 29.678 29.700 0.148 0.000 0.748 1241 E HN 0.654 nan 8.360 nan 0.000 0.449 1242 S N -0.355 115.423 115.700 0.130 0.000 2.677 1242 S HA 0.523 5.289 4.470 0.493 0.000 0.283 1242 S C -0.605 174.036 174.600 0.069 0.000 1.159 1242 S CA -0.963 57.330 58.200 0.156 0.000 1.001 1242 S CB 2.073 65.432 63.200 0.265 0.000 1.032 1242 S HN -0.105 nan 8.310 nan 0.000 0.487 1243 V N 2.179 122.127 119.914 0.058 0.000 2.444 1243 V HA 0.877 5.293 4.120 0.493 0.000 0.294 1243 V C 0.274 176.365 176.094 -0.005 0.000 1.022 1243 V CA -0.450 61.850 62.300 -0.001 0.000 0.850 1243 V CB 1.193 33.049 31.823 0.055 0.000 0.992 1243 V HN 1.230 nan 8.190 nan 0.000 0.426 1244 A N 3.764 126.432 122.820 -0.254 0.000 2.330 1244 A HA 0.888 5.503 4.320 0.493 0.000 0.329 1244 A C -0.697 176.880 177.584 -0.011 0.000 1.135 1244 A CA -0.707 51.121 52.037 -0.349 0.000 0.817 1244 A CB 1.811 20.057 19.000 -1.257 0.000 1.269 1244 A HN 0.763 nan 8.150 nan 0.000 0.469 1245 Q N 1.113 121.021 119.800 0.180 0.000 2.322 1245 Q HA 0.571 5.207 4.340 0.493 0.000 0.265 1245 Q C -1.440 174.755 176.000 0.324 0.000 0.985 1245 Q CA -0.191 55.755 55.803 0.240 0.000 0.849 1245 Q CB 0.975 29.896 28.738 0.304 0.000 1.274 1245 Q HN 0.644 nan 8.270 nan 0.000 0.449 1246 L N 3.751 125.096 121.223 0.202 0.000 2.410 1246 L HA 0.164 4.800 4.340 0.493 0.000 0.273 1246 L C 0.584 177.657 176.870 0.338 0.000 1.144 1246 L CA -0.140 54.834 54.840 0.223 0.000 0.863 1246 L CB 0.775 42.894 42.059 0.101 0.000 1.140 1246 L HN 0.618 nan 8.230 nan 0.000 0.463 1247 Q N 2.100 122.146 119.800 0.410 0.000 2.313 1247 Q HA 0.077 4.713 4.340 0.493 0.000 0.266 1247 Q C 0.699 176.980 176.000 0.468 0.000 0.989 1247 Q CA 0.240 56.326 55.803 0.471 0.000 0.890 1247 Q CB 1.757 30.824 28.738 0.548 0.000 1.200 1247 Q HN 0.818 nan 8.270 nan 0.000 0.396 1248 A N 4.105 127.151 122.820 0.375 0.000 1.972 1248 A HA -0.174 4.442 4.320 0.493 0.000 0.219 1248 A C 1.334 178.929 177.584 0.017 0.000 1.169 1248 A CA 1.068 53.169 52.037 0.107 0.000 0.635 1248 A CB -0.521 18.166 19.000 -0.522 0.000 0.810 1248 A HN 0.903 nan 8.150 nan 0.000 0.446 1249 W N -2.419 118.836 121.300 -0.075 0.000 2.584 1249 W HA 0.071 5.029 4.660 0.497 0.000 0.264 1249 W C 1.257 177.504 176.519 -0.454 0.000 1.264 1249 W CA 0.209 57.324 57.345 -0.382 0.000 1.306 1249 W CB -0.185 28.907 29.460 -0.613 0.000 1.110 1249 W HN 0.508 nan 8.180 nan 0.000 0.606 1250 W N -1.482 120.020 121.300 0.336 0.000 2.862 1250 W HA 0.136 5.086 4.660 0.482 0.000 0.376 1250 W C 1.664 178.357 176.519 0.291 0.000 1.028 1250 W CA -0.588 56.903 57.345 0.243 0.000 1.757 1250 W CB -0.851 28.653 29.460 0.073 0.000 1.128 1250 W HN -0.014 nan 8.180 nan 0.000 0.566 1251 Y N 0.113 120.651 120.300 0.397 0.000 2.421 1251 Y HA 0.046 4.918 4.550 0.537 0.000 0.292 1251 Y C 1.526 177.683 175.900 0.429 0.000 1.136 1251 Y CA 1.262 59.608 58.100 0.411 0.000 1.255 1251 Y CB -0.492 38.190 38.460 0.369 0.000 0.991 1251 Y HN -0.161 nan 8.280 nan 0.000 0.552 1252 K N 0.846 121.112 120.400 -0.224 0.000 2.358 1252 K HA 0.411 5.027 4.320 0.493 0.000 0.197 1252 K C 0.620 177.271 176.600 0.085 0.000 1.025 1252 K CA 0.284 56.475 56.287 -0.160 0.000 1.104 1252 K CB 0.457 32.722 32.500 -0.392 0.000 0.855 1252 K HN 0.304 nan 8.250 nan 0.000 0.531 1253 A N 1.921 124.910 122.820 0.281 0.000 2.332 1253 A HA 0.074 4.690 4.320 0.493 0.000 0.258 1253 A C -0.513 177.175 177.584 0.173 0.000 1.087 1253 A CA -0.332 51.900 52.037 0.325 0.000 0.802 1253 A CB 0.262 19.672 19.000 0.682 0.000 1.042 1253 A HN 0.215 nan 8.150 nan 0.000 0.489 1254 D N 0.855 121.244 120.400 -0.019 0.000 2.389 1254 D HA 0.291 5.227 4.640 0.493 0.000 0.247 1254 D C -1.709 174.151 176.300 -0.734 0.000 1.128 1254 D CA -1.119 52.745 54.000 -0.228 0.000 0.884 1254 D CB 0.892 41.612 40.800 -0.134 0.000 1.194 1254 D HN 0.145 nan 8.370 nan 0.000 0.441 1255 P HA -0.149 nan 4.420 nan 0.000 0.218 1255 P C 0.408 177.160 177.300 -0.913 0.000 1.146 1255 P CA 0.951 63.018 63.100 -1.722 0.000 0.813 1255 P CB 0.143 31.477 31.700 -0.610 0.000 0.778 1256 N N -0.998 117.462 118.700 -0.401 0.000 2.521 1256 N HA -0.059 4.977 4.740 0.493 0.000 0.188 1256 N C 0.641 176.142 175.510 -0.014 0.000 1.146 1256 N CA 0.808 53.829 53.050 -0.048 0.000 0.893 1256 N CB -0.212 38.304 38.487 0.049 0.000 0.975 1256 N HN 0.239 nan 8.380 nan 0.000 0.451 1257 D N -0.134 120.152 120.400 -0.189 0.000 2.367 1257 D HA 0.073 5.008 4.640 0.493 0.000 0.207 1257 D C 0.436 176.558 176.300 -0.296 0.000 1.034 1257 D CA -0.076 53.875 54.000 -0.081 0.000 0.861 1257 D CB 0.203 41.066 40.800 0.104 0.000 0.943 1257 D HN 0.177 nan 8.370 nan 0.000 0.515 1258 F N 1.630 121.248 119.950 -0.553 0.000 2.595 1258 F HA -0.038 4.792 4.527 0.505 0.000 0.359 1258 F C 1.817 176.991 175.800 -1.042 0.000 1.147 1258 F CA -0.089 57.263 58.000 -1.079 0.000 1.341 1258 F CB 0.580 38.870 39.000 -1.184 0.000 1.104 1258 F HN -0.187 nan 8.300 nan 0.000 0.603 1259 T N 0.527 114.361 114.554 -1.199 0.000 3.467 1259 T HA 0.188 4.834 4.350 0.493 0.000 0.232 1259 T C -0.091 174.469 174.700 -0.235 0.000 0.876 1259 T CA -0.386 61.293 62.100 -0.702 0.000 0.939 1259 T CB -1.240 67.083 68.868 -0.908 0.000 1.165 1259 T HN 0.354 nan 8.240 nan 0.000 0.615 1260 Y N 0.926 121.194 120.300 -0.053 0.000 2.459 1260 Y HA 0.175 5.019 4.550 0.490 0.000 0.349 1260 Y C 1.183 177.099 175.900 0.026 0.000 1.266 1260 Y CA -1.155 56.980 58.100 0.058 0.000 1.483 1260 Y CB 0.421 38.863 38.460 -0.031 0.000 1.362 1260 Y HN 0.259 nan 8.280 nan 0.000 0.628 1261 E N 1.371 121.693 120.200 0.204 0.000 2.299 1261 E HA 0.042 4.688 4.350 0.493 0.000 0.272 1261 E C -0.148 176.504 176.600 0.086 0.000 1.043 1261 E CA -0.110 56.351 56.400 0.102 0.000 0.895 1261 E CB 0.534 30.241 29.700 0.011 0.000 1.011 1261 E HN 0.375 nan 8.360 nan 0.000 0.432 1262 R N 3.878 124.440 120.500 0.104 0.000 2.397 1262 R HA 0.200 4.836 4.340 0.493 0.000 0.241 1262 R C -0.130 176.346 176.300 0.294 0.000 0.914 1262 R CA -0.092 56.094 56.100 0.142 0.000 1.071 1262 R CB 0.113 30.424 30.300 0.018 0.000 1.116 1262 R HN 0.403 nan 8.270 nan 0.000 0.524 1263 R N 1.963 122.568 120.500 0.175 0.000 2.216 1263 R HA 0.091 4.727 4.340 0.493 0.000 0.332 1263 R C 1.252 177.449 176.300 -0.172 0.000 1.056 1263 R CA -0.078 56.028 56.100 0.011 0.000 0.901 1263 R CB 0.825 31.117 30.300 -0.012 0.000 1.039 1263 R HN 0.116 nan 8.270 nan 0.000 0.456 1264 K N 1.596 121.651 120.400 -0.575 0.000 2.360 1264 K HA -0.182 4.433 4.320 0.493 0.000 0.201 1264 K C 0.444 176.819 176.600 -0.375 0.000 1.046 1264 K CA 1.373 57.087 56.287 -0.955 0.000 0.940 1264 K CB 0.167 32.142 32.500 -0.875 0.000 0.748 1264 K HN 0.394 nan 8.250 nan 0.000 0.465 1265 E N 1.358 121.432 120.200 -0.209 0.000 2.347 1265 E HA -0.004 4.642 4.350 0.493 0.000 0.196 1265 E C 0.376 176.935 176.600 -0.069 0.000 1.008 1265 E CA 0.397 56.727 56.400 -0.116 0.000 0.852 1265 E CB 0.264 29.913 29.700 -0.085 0.000 0.783 1265 E HN 0.273 nan 8.360 nan 0.000 0.505 1266 S N -0.685 114.985 115.700 -0.051 0.000 2.554 1266 S HA 0.475 5.241 4.470 0.493 0.000 0.278 1266 S C 1.115 175.729 174.600 0.023 0.000 1.242 1266 S CA -0.099 58.094 58.200 -0.011 0.000 1.051 1266 S CB 1.354 64.538 63.200 -0.028 0.000 0.986 1266 S HN 0.174 nan 8.310 nan 0.000 0.502 1267 A N 3.881 126.731 122.820 0.050 0.000 2.125 1267 A HA 0.157 4.772 4.320 0.493 0.000 0.219 1267 A C 1.911 179.524 177.584 0.048 0.000 1.156 1267 A CA 1.532 53.612 52.037 0.072 0.000 0.671 1267 A CB -0.807 18.264 19.000 0.119 0.000 0.794 1267 A HN 1.169 nan 8.150 nan 0.000 0.459 1268 A N -1.812 120.962 122.820 -0.077 0.000 2.275 1268 A HA 0.311 4.926 4.320 0.493 0.000 0.212 1268 A C 0.617 178.143 177.584 -0.097 0.000 1.201 1268 A CA -0.447 51.472 52.037 -0.197 0.000 0.843 1268 A CB -0.557 18.095 19.000 -0.579 0.000 0.873 1268 A HN 0.507 nan 8.150 nan 0.000 0.492 1269 Y N 0.851 121.069 120.300 -0.137 0.000 2.810 1269 Y HA 0.254 5.101 4.550 0.495 0.000 0.332 1269 Y C -0.307 175.502 175.900 -0.151 0.000 1.243 1269 Y CA 0.032 58.059 58.100 -0.122 0.000 1.537 1269 Y CB -0.049 38.358 38.460 -0.088 0.000 1.265 1269 Y HN 0.227 nan 8.280 nan 0.000 0.572 1270 I N 9.556 129.652 120.570 -0.790 0.000 2.468 1270 I HA 0.300 4.766 4.170 0.493 0.000 0.285 1270 I C -2.352 173.158 176.117 -1.012 0.000 1.039 1270 I CA -2.290 58.508 61.300 -0.837 0.000 1.074 1270 I CB 1.910 39.472 38.000 -0.729 0.000 1.228 1270 I HN 0.501 nan 8.210 nan 0.000 0.436 1271 P HA 0.144 nan 4.420 nan 0.000 0.272 1271 P C -0.493 176.615 177.300 -0.320 0.000 1.230 1271 P CA -0.095 62.645 63.100 -0.599 0.000 0.788 1271 P CB 0.399 31.970 31.700 -0.215 0.000 0.949 1272 F N 0.355 120.294 119.950 -0.019 0.000 2.595 1272 F HA 0.286 5.109 4.527 0.493 0.000 0.359 1272 F C 2.067 177.860 175.800 -0.012 0.000 1.147 1272 F CA 1.923 59.921 58.000 -0.003 0.000 1.341 1272 F CB -0.403 38.602 39.000 0.009 0.000 1.104 1272 F HN 0.682 nan 8.300 nan 0.000 0.603 1273 G N 0.864 109.764 108.800 0.166 0.000 2.194 1273 G HA2 -0.209 4.047 3.960 0.493 0.000 0.236 1273 G HA3 -0.209 4.047 3.960 0.493 0.000 0.236 1273 G C -0.163 174.760 174.900 0.039 0.000 0.987 1273 G CA -0.117 45.031 45.100 0.081 0.000 0.635 1273 G HN 0.592 nan 8.290 nan 0.000 0.520 1274 E N -0.565 119.650 120.200 0.026 0.000 2.359 1274 E HA 0.634 5.280 4.350 0.493 0.000 0.266 1274 E C 0.136 176.798 176.600 0.102 0.000 0.920 1274 E CA -0.527 55.881 56.400 0.013 0.000 0.788 1274 E CB 2.325 31.986 29.700 -0.065 0.000 1.279 1274 E HN 1.536 nan 8.360 nan 0.000 0.438 1275 G N 1.215 110.088 108.800 0.121 0.000 2.627 1275 G HA2 -0.083 4.173 3.960 0.493 0.000 0.680 1275 G HA3 -0.083 4.173 3.960 0.493 0.000 0.680 1275 G C -0.618 174.435 174.900 0.255 0.000 1.341 1275 G CA -0.638 44.648 45.100 0.310 0.000 0.835 1275 G HN 0.522 nan 8.290 nan 0.000 0.643 1276 D N -0.081 120.495 120.400 0.293 0.000 2.490 1276 D HA 0.267 5.203 4.640 0.493 0.000 0.244 1276 D C 0.533 176.682 176.300 -0.252 0.000 0.979 1276 D CA 1.306 55.350 54.000 0.075 0.000 0.924 1276 D CB 0.454 41.509 40.800 0.425 0.000 1.075 1276 D HN 0.309 nan 8.370 nan 0.000 0.488 1277 F N -1.104 119.026 119.950 0.300 0.000 2.686 1277 F HA 0.292 5.127 4.527 0.514 0.000 0.311 1277 F C -1.043 174.340 175.800 -0.695 0.000 1.128 1277 F CA -1.306 56.615 58.000 -0.131 0.000 0.946 1277 F CB 1.702 40.465 39.000 -0.396 0.000 1.336 1277 F HN -0.297 nan 8.300 nan 0.000 0.457 1278 Y N 2.251 121.934 120.300 -1.029 0.000 2.434 1278 Y HA 0.493 5.336 4.550 0.488 0.000 0.341 1278 Y C -1.241 174.479 175.900 -0.301 0.000 0.965 1278 Y CA -0.832 56.744 58.100 -0.874 0.000 1.205 1278 Y CB 0.278 37.979 38.460 -1.264 0.000 1.121 1278 Y HN 0.432 nan 8.280 nan 0.000 0.507 1279 Y N 4.282 124.386 120.300 -0.328 0.000 2.310 1279 Y HA 0.223 5.060 4.550 0.477 0.000 0.326 1279 Y C 0.209 176.082 175.900 -0.044 0.000 1.151 1279 Y CA -0.633 57.441 58.100 -0.042 0.000 1.195 1279 Y CB 0.763 39.304 38.460 0.134 0.000 1.210 1279 Y HN 0.555 nan 8.280 nan 0.000 0.483 1280 H N 1.680 120.901 119.070 0.252 0.000 2.562 1280 H HA 0.394 5.231 4.556 0.469 0.000 0.314 1280 H C 0.195 175.665 175.328 0.237 0.000 1.079 1280 H CA -0.366 55.823 56.048 0.235 0.000 1.349 1280 H CB 1.336 31.274 29.762 0.293 0.000 1.432 1280 H HN 0.972 nan 8.280 nan 0.000 0.479 1281 A N 4.093 127.106 122.820 0.321 0.000 2.235 1281 A HA 0.052 4.668 4.320 0.493 0.000 0.208 1281 A C 2.036 179.682 177.584 0.103 0.000 1.172 1281 A CA 0.823 52.996 52.037 0.227 0.000 0.786 1281 A CB -0.373 18.741 19.000 0.190 0.000 0.804 1281 A HN 0.795 nan 8.150 nan 0.000 0.479 1282 A N -0.402 122.223 122.820 -0.325 0.000 2.119 1282 A HA 0.357 4.973 4.320 0.493 0.000 0.217 1282 A C 0.728 178.204 177.584 -0.180 0.000 1.153 1282 A CA 0.674 52.455 52.037 -0.426 0.000 0.692 1282 A CB -0.177 18.252 19.000 -0.952 0.000 0.799 1282 A HN 0.450 nan 8.150 nan 0.000 0.458 1283 I N -0.136 120.436 120.570 0.003 0.000 2.548 1283 I HA 0.479 4.944 4.170 0.493 0.000 0.287 1283 I C -1.180 175.170 176.117 0.389 0.000 1.103 1283 I CA -0.692 60.698 61.300 0.150 0.000 1.049 1283 I CB 1.959 40.075 38.000 0.194 0.000 1.232 1283 I HN 0.300 nan 8.210 nan 0.000 0.429 1284 F N 3.515 123.641 119.950 0.293 0.000 2.662 1284 F HA 1.010 5.829 4.527 0.486 0.000 0.312 1284 F C -0.118 175.804 175.800 0.203 0.000 1.113 1284 F CA -0.704 57.470 58.000 0.291 0.000 0.951 1284 F CB 1.724 40.879 39.000 0.257 0.000 1.344 1284 F HN 0.515 nan 8.300 nan 0.000 0.462 1285 G N -0.806 108.074 108.800 0.134 0.000 2.561 1285 G HA2 0.770 5.026 3.960 0.493 0.000 0.310 1285 G HA3 0.770 5.026 3.960 0.493 0.000 0.310 1285 G C -0.877 173.901 174.900 -0.203 0.000 1.292 1285 G CA -0.297 44.557 45.100 -0.410 0.000 0.811 1285 G HN 1.956 nan 8.290 nan 0.000 0.482 1286 G N -1.760 106.879 108.800 -0.268 0.000 2.350 1286 G HA2 0.577 4.833 3.960 0.493 0.000 0.276 1286 G HA3 0.577 4.833 3.960 0.493 0.000 0.276 1286 G C -0.009 174.936 174.900 0.074 0.000 1.313 1286 G CA 0.868 45.967 45.100 -0.002 0.000 0.903 1286 G HN 1.910 nan 8.290 nan 0.000 0.490 1287 T N -0.562 114.028 114.554 0.059 0.000 2.856 1287 T HA 0.478 5.124 4.350 0.493 0.000 0.306 1287 T C -1.291 173.354 174.700 -0.092 0.000 1.062 1287 T CA -0.236 61.791 62.100 -0.123 0.000 1.083 1287 T CB 1.570 70.336 68.868 -0.170 0.000 0.984 1287 T HN 0.205 nan 8.240 nan 0.000 0.542 1288 P HA -0.091 nan 4.420 nan 0.000 0.216 1288 P C 1.702 178.941 177.300 -0.101 0.000 1.150 1288 P CA 1.187 64.218 63.100 -0.116 0.000 0.843 1288 P CB -0.218 31.391 31.700 -0.152 0.000 0.787 1289 T N -0.628 113.869 114.554 -0.094 0.000 2.746 1289 T HA -0.172 4.474 4.350 0.493 0.000 0.267 1289 T C 1.807 176.486 174.700 -0.035 0.000 1.039 1289 T CA 1.212 63.273 62.100 -0.066 0.000 1.142 1289 T CB -0.608 68.228 68.868 -0.053 0.000 0.866 1289 T HN 0.153 nan 8.240 nan 0.000 0.444 1290 Q N 0.484 120.277 119.800 -0.011 0.000 2.079 1290 Q HA 0.005 4.641 4.340 0.493 0.000 0.200 1290 Q C 2.651 178.649 176.000 -0.002 0.000 0.974 1290 Q CA 0.888 56.708 55.803 0.029 0.000 0.840 1290 Q CB -0.823 27.960 28.738 0.076 0.000 0.898 1290 Q HN 0.408 nan 8.270 nan 0.000 0.430 1291 V N 1.354 121.264 119.914 -0.007 0.000 2.515 1291 V HA -0.218 4.198 4.120 0.493 0.000 0.250 1291 V C 2.324 178.384 176.094 -0.056 0.000 1.058 1291 V CA 1.192 63.494 62.300 0.003 0.000 1.064 1291 V CB -0.649 31.191 31.823 0.028 0.000 0.675 1291 V HN 0.214 nan 8.190 nan 0.000 0.461 1292 L N 1.023 122.202 121.223 -0.073 0.000 2.042 1292 L HA -0.177 4.459 4.340 0.493 0.000 0.210 1292 L C 2.081 178.886 176.870 -0.108 0.000 1.076 1292 L CA 2.308 57.093 54.840 -0.091 0.000 0.749 1292 L CB -0.997 41.008 42.059 -0.090 0.000 0.893 1292 L HN 0.390 nan 8.230 nan 0.000 0.432 1293 N N -0.519 118.124 118.700 -0.095 0.000 2.142 1293 N HA -0.150 4.885 4.740 0.493 0.000 0.186 1293 N C 1.817 177.143 175.510 -0.306 0.000 1.023 1293 N CA 1.698 54.696 53.050 -0.087 0.000 0.852 1293 N CB -0.213 38.297 38.487 0.037 0.000 0.998 1293 N HN 0.460 nan 8.380 nan 0.000 0.424 1294 I N -0.045 120.198 120.570 -0.544 0.000 2.118 1294 I HA -0.338 4.128 4.170 0.493 0.000 0.241 1294 I C 2.296 177.978 176.117 -0.725 0.000 1.070 1294 I CA 1.803 62.409 61.300 -1.156 0.000 1.327 1294 I CB -0.857 36.617 38.000 -0.877 0.000 1.034 1294 I HN 0.392 nan 8.210 nan 0.000 0.405 1295 T N -1.685 112.647 114.554 -0.370 0.000 2.812 1295 T HA -0.185 4.461 4.350 0.493 0.000 0.264 1295 T C 1.815 176.424 174.700 -0.152 0.000 1.042 1295 T CA 1.013 62.979 62.100 -0.223 0.000 1.140 1295 T CB -0.469 68.347 68.868 -0.086 0.000 0.870 1295 T HN 0.382 nan 8.240 nan 0.000 0.445 1296 Q N 0.404 120.127 119.800 -0.129 0.000 2.084 1296 Q HA -0.092 4.544 4.340 0.493 0.000 0.202 1296 Q C 2.600 178.576 176.000 -0.041 0.000 0.978 1296 Q CA 1.319 57.092 55.803 -0.050 0.000 0.844 1296 Q CB -0.056 28.654 28.738 -0.047 0.000 0.898 1296 Q HN 0.553 nan 8.270 nan 0.000 0.426 1297 E N 0.022 120.166 120.200 -0.093 0.000 2.106 1297 E HA -0.140 4.506 4.350 0.493 0.000 0.192 1297 E C 2.123 178.678 176.600 -0.074 0.000 0.984 1297 E CA 0.705 57.086 56.400 -0.031 0.000 0.806 1297 E CB -0.325 29.447 29.700 0.121 0.000 0.750 1297 E HN 0.371 nan 8.360 nan 0.000 0.458 1298 C N 0.581 119.780 119.300 -0.169 0.000 2.429 1298 C HA -0.123 4.633 4.460 0.493 0.000 0.277 1298 C C 2.478 177.347 174.990 -0.202 0.000 1.262 1298 C CA 0.346 59.260 59.018 -0.173 0.000 1.733 1298 C CB -1.208 26.396 27.740 -0.227 0.000 2.010 1298 C HN 0.316 nan 8.230 nan 0.000 0.483 1299 F N 1.750 121.551 119.950 -0.248 0.000 2.259 1299 F HA -0.033 4.789 4.527 0.492 0.000 0.298 1299 F C 2.213 177.886 175.800 -0.212 0.000 1.088 1299 F CA 1.394 59.255 58.000 -0.232 0.000 1.358 1299 F CB -0.406 38.493 39.000 -0.168 0.000 1.040 1299 F HN 0.145 nan 8.300 nan 0.000 0.505 1300 K N -0.289 120.013 120.400 -0.163 0.000 2.063 1300 K HA -0.126 4.490 4.320 0.493 0.000 0.208 1300 K C 2.386 178.826 176.600 -0.266 0.000 1.048 1300 K CA 1.332 57.499 56.287 -0.200 0.000 0.928 1300 K CB -0.943 31.505 32.500 -0.086 0.000 0.713 1300 K HN 0.397 nan 8.250 nan 0.000 0.442 1301 G N 1.181 109.825 108.800 -0.260 0.000 2.422 1301 G HA2 -0.226 4.030 3.960 0.493 0.000 0.218 1301 G HA3 -0.226 4.030 3.960 0.493 0.000 0.218 1301 G C 1.495 176.125 174.900 -0.450 0.000 1.146 1301 G CA 0.688 45.650 45.100 -0.230 0.000 0.769 1301 G HN 0.146 nan 8.290 nan 0.000 0.547 1302 I N 0.282 120.362 120.570 -0.816 0.000 2.226 1302 I HA -0.132 4.334 4.170 0.493 0.000 0.245 1302 I C 2.680 178.504 176.117 -0.488 0.000 1.100 1302 I CA 0.755 61.641 61.300 -0.690 0.000 1.374 1302 I CB -0.139 37.470 38.000 -0.652 0.000 1.057 1302 I HN 0.130 nan 8.210 nan 0.000 0.413 1303 L N 0.406 121.256 121.223 -0.621 0.000 2.109 1303 L HA -0.200 4.436 4.340 0.493 0.000 0.207 1303 L C 2.600 179.318 176.870 -0.253 0.000 1.086 1303 L CA 1.245 55.811 54.840 -0.456 0.000 0.760 1303 L CB -0.548 41.217 42.059 -0.490 0.000 0.910 1303 L HN 0.222 nan 8.230 nan 0.000 0.437 1304 K N 0.372 120.643 120.400 -0.215 0.000 2.057 1304 K HA -0.217 4.399 4.320 0.493 0.000 0.207 1304 K C 1.634 178.182 176.600 -0.087 0.000 1.049 1304 K CA 1.882 58.096 56.287 -0.121 0.000 0.931 1304 K CB 0.000 32.448 32.500 -0.087 0.000 0.714 1304 K HN 0.148 nan 8.250 nan 0.000 0.440 1305 D N 0.706 121.065 120.400 -0.068 0.000 2.149 1305 D HA -0.135 4.801 4.640 0.493 0.000 0.198 1305 D C 1.667 177.932 176.300 -0.060 0.000 0.990 1305 D CA 1.251 55.232 54.000 -0.031 0.000 0.839 1305 D CB 0.033 40.853 40.800 0.034 0.000 0.948 1305 D HN 0.267 nan 8.370 nan 0.000 0.460 1306 K N 0.257 120.598 120.400 -0.098 0.000 2.097 1306 K HA -0.070 4.545 4.320 0.493 0.000 0.206 1306 K C 1.858 178.412 176.600 -0.076 0.000 1.049 1306 K CA 0.788 57.020 56.287 -0.092 0.000 0.933 1306 K CB 0.173 32.601 32.500 -0.120 0.000 0.717 1306 K HN -0.020 nan 8.250 nan 0.000 0.442 1307 K N 0.608 120.959 120.400 -0.081 0.000 2.283 1307 K HA -0.034 4.582 4.320 0.493 0.000 0.202 1307 K C 0.939 177.508 176.600 -0.052 0.000 1.048 1307 K CA 0.810 57.059 56.287 -0.064 0.000 0.948 1307 K CB -0.047 32.415 32.500 -0.064 0.000 0.742 1307 K HN 0.157 nan 8.250 nan 0.000 0.458 1308 N N 1.444 120.113 118.700 -0.051 0.000 2.235 1308 N HA -0.059 4.977 4.740 0.493 0.000 0.209 1308 N C -0.552 174.933 175.510 -0.041 0.000 1.122 1308 N CA 0.135 53.159 53.050 -0.044 0.000 0.845 1308 N CB 0.294 38.756 38.487 -0.042 0.000 1.004 1308 N HN 0.094 nan 8.380 nan 0.000 0.499 1309 D N 0.739 121.113 120.400 -0.044 0.000 2.723 1309 D HA -0.200 4.736 4.640 0.493 0.000 0.236 1309 D C -0.668 175.608 176.300 -0.039 0.000 1.138 1309 D CA 0.529 54.504 54.000 -0.041 0.000 0.676 1309 D CB -1.286 39.492 40.800 -0.037 0.000 1.069 1309 D HN 0.447 nan 8.370 nan 0.000 0.430 1310 I N -0.280 120.267 120.570 -0.039 0.000 2.894 1310 I HA 0.480 4.946 4.170 0.493 0.000 0.302 1310 I C -1.080 175.019 176.117 -0.029 0.000 1.188 1310 I CA -0.873 60.405 61.300 -0.036 0.000 1.014 1310 I CB 1.927 39.906 38.000 -0.035 0.000 1.242 1310 I HN 0.015 nan 8.210 nan 0.000 0.430 1311 E N 5.167 125.346 120.200 -0.034 0.000 2.218 1311 E HA 0.648 5.294 4.350 0.493 0.000 0.263 1311 E C -0.875 175.688 176.600 -0.063 0.000 0.879 1311 E CA -0.785 55.603 56.400 -0.020 0.000 0.762 1311 E CB 1.820 31.509 29.700 -0.017 0.000 1.166 1311 E HN 0.751 nan 8.360 nan 0.000 0.415 1312 A N 3.550 126.338 122.820 -0.053 0.000 2.531 1312 A HA -0.065 4.550 4.320 0.493 0.000 0.236 1312 A C 1.019 178.418 177.584 -0.308 0.000 1.062 1312 A CA 0.334 52.277 52.037 -0.157 0.000 0.760 1312 A CB 0.584 19.434 19.000 -0.249 0.000 0.995 1312 A HN 0.951 nan 8.150 nan 0.000 0.501 1313 Q N 0.523 120.151 119.800 -0.286 0.000 2.170 1313 Q HA -0.153 4.483 4.340 0.493 0.000 0.203 1313 Q C -0.205 175.230 176.000 -0.941 0.000 0.976 1313 Q CA 1.818 57.310 55.803 -0.518 0.000 0.858 1313 Q CB -0.084 28.420 28.738 -0.390 0.000 0.907 1313 Q HN 0.860 nan 8.270 nan 0.000 0.433 1314 Y N -0.548 119.571 120.300 -0.301 0.000 2.713 1314 Y HA 0.213 5.062 4.550 0.498 0.000 0.269 1314 Y C -0.176 175.674 175.900 -0.084 0.000 1.106 1314 Y CA -0.301 57.697 58.100 -0.170 0.000 1.174 1314 Y CB -0.065 38.458 38.460 0.104 0.000 1.186 1314 Y HN 0.209 nan 8.280 nan 0.000 0.555 1315 H N -0.920 118.222 119.070 0.121 0.000 1.452 1315 H HA -0.348 4.502 4.556 0.491 0.000 0.090 1315 H C 1.439 176.891 175.328 0.206 0.000 0.968 1315 H CA 1.431 57.548 56.048 0.116 0.000 1.901 1315 H CB -0.835 28.963 29.762 0.061 0.000 2.257 1315 H HN 0.425 nan 8.280 nan 0.000 0.961 1316 D N 0.880 121.474 120.400 0.324 0.000 2.218 1316 D HA -0.160 4.776 4.640 0.493 0.000 0.204 1316 D C 1.743 178.145 176.300 0.169 0.000 0.976 1316 D CA 1.633 55.763 54.000 0.217 0.000 0.853 1316 D CB -0.523 40.336 40.800 0.099 0.000 0.939 1316 D HN 0.691 nan 8.370 nan 0.000 0.481 1317 E N 0.860 121.184 120.200 0.207 0.000 2.153 1317 E HA -0.138 4.507 4.350 0.493 0.000 0.194 1317 E C 1.840 178.514 176.600 0.123 0.000 0.988 1317 E CA 0.949 57.450 56.400 0.169 0.000 0.811 1317 E CB 0.166 30.025 29.700 0.265 0.000 0.746 1317 E HN 0.112 nan 8.360 nan 0.000 0.466 1318 S N -0.093 115.693 115.700 0.143 0.000 2.368 1318 S HA -0.150 4.616 4.470 0.493 0.000 0.225 1318 S C 1.702 176.250 174.600 -0.086 0.000 1.030 1318 S CA 0.933 59.158 58.200 0.041 0.000 0.999 1318 S CB -0.387 62.785 63.200 -0.047 0.000 0.844 1318 S HN 0.452 nan 8.310 nan 0.000 0.459 1319 H N 0.431 119.502 119.070 0.003 0.000 2.389 1319 H HA 0.031 4.882 4.556 0.491 0.000 0.299 1319 H C 2.221 177.490 175.328 -0.098 0.000 1.081 1319 H CA 1.152 57.170 56.048 -0.050 0.000 1.345 1319 H CB -0.510 29.213 29.762 -0.065 0.000 1.393 1319 H HN 0.222 nan 8.280 nan 0.000 0.520 1320 L N 1.439 122.646 121.223 -0.026 0.000 2.083 1320 L HA -0.138 4.498 4.340 0.493 0.000 0.209 1320 L C 1.910 178.737 176.870 -0.073 0.000 1.083 1320 L CA 1.400 56.115 54.840 -0.208 0.000 0.752 1320 L CB -0.571 41.336 42.059 -0.254 0.000 0.899 1320 L HN 0.136 nan 8.230 nan 0.000 0.433 1321 N N -0.270 118.453 118.700 0.038 0.000 2.188 1321 N HA -0.220 4.816 4.740 0.493 0.000 0.184 1321 N C 1.839 177.354 175.510 0.009 0.000 1.018 1321 N CA 1.252 54.383 53.050 0.135 0.000 0.858 1321 N CB -0.020 38.505 38.487 0.063 0.000 0.989 1321 N HN 0.268 nan 8.380 nan 0.000 0.426 1322 K N 0.839 121.188 120.400 -0.084 0.000 2.057 1322 K HA -0.153 4.463 4.320 0.493 0.000 0.207 1322 K C 2.025 178.579 176.600 -0.076 0.000 1.049 1322 K CA 1.017 57.230 56.287 -0.123 0.000 0.931 1322 K CB -0.715 31.723 32.500 -0.103 0.000 0.714 1322 K HN 0.185 nan 8.250 nan 0.000 0.440 1323 Y N -0.209 119.983 120.300 -0.180 0.000 2.097 1323 Y HA -0.189 4.655 4.550 0.490 0.000 0.282 1323 Y C 1.601 177.396 175.900 -0.175 0.000 1.152 1323 Y CA 2.159 60.110 58.100 -0.249 0.000 1.136 1323 Y CB -0.306 37.881 38.460 -0.455 0.000 0.975 1323 Y HN 0.107 nan 8.280 nan 0.000 0.498 1324 F N -1.291 118.662 119.950 0.005 0.000 2.604 1324 F HA -0.118 4.708 4.527 0.497 0.000 0.298 1324 F C 1.983 177.730 175.800 -0.087 0.000 1.131 1324 F CA -0.057 57.885 58.000 -0.097 0.000 1.457 1324 F CB -0.001 38.863 39.000 -0.227 0.000 1.095 1324 F HN 0.200 nan 8.300 nan 0.000 0.574 1325 L N 0.287 121.563 121.223 0.088 0.000 2.056 1325 L HA -0.153 4.482 4.340 0.493 0.000 0.207 1325 L C 1.854 178.627 176.870 -0.161 0.000 1.078 1325 L CA 1.854 56.675 54.840 -0.031 0.000 0.749 1325 L CB -0.615 41.378 42.059 -0.110 0.000 0.901 1325 L HN 0.094 nan 8.230 nan 0.000 0.433 1326 L N -0.661 120.428 121.223 -0.224 0.000 2.131 1326 L HA -0.012 4.624 4.340 0.493 0.000 0.206 1326 L C 0.320 176.993 176.870 -0.329 0.000 1.087 1326 L CA 0.506 55.187 54.840 -0.265 0.000 0.767 1326 L CB -0.295 41.597 42.059 -0.277 0.000 0.917 1326 L HN 0.297 nan 8.230 nan 0.000 0.441 1327 N N 1.242 119.672 118.700 -0.449 0.000 2.800 1327 N HA 0.141 5.177 4.740 0.493 0.000 0.240 1327 N C -0.863 174.515 175.510 -0.220 0.000 1.096 1327 N CA -0.320 52.483 53.050 -0.412 0.000 0.877 1327 N CB 1.064 39.097 38.487 -0.757 0.000 1.138 1327 N HN 0.006 nan 8.380 nan 0.000 0.509 1328 K N 2.082 122.281 120.400 -0.335 0.000 2.484 1328 K HA 0.112 4.728 4.320 0.493 0.000 0.280 1328 K C -1.999 174.518 176.600 -0.139 0.000 1.013 1328 K CA -1.020 54.965 56.287 -0.504 0.000 1.029 1328 K CB 0.217 31.889 32.500 -1.380 0.000 0.902 1328 K HN 0.334 nan 8.250 nan 0.000 0.481 1329 P HA 0.025 nan 4.420 nan 0.000 0.271 1329 P C 0.503 177.934 177.300 0.218 0.000 1.218 1329 P CA -0.115 62.960 63.100 -0.042 0.000 0.780 1329 P CB 0.481 31.843 31.700 -0.564 0.000 0.901 1330 T N -1.323 113.322 114.554 0.152 0.000 3.100 1330 T HA 0.102 4.748 4.350 0.493 0.000 0.253 1330 T C 0.506 175.269 174.700 0.105 0.000 1.118 1330 T CA 0.398 62.609 62.100 0.186 0.000 1.058 1330 T CB 0.016 68.973 68.868 0.148 0.000 0.953 1330 T HN 0.503 nan 8.240 nan 0.000 0.515 1331 K N 0.261 120.683 120.400 0.036 0.000 2.557 1331 K HA 0.608 5.224 4.320 0.493 0.000 0.261 1331 K C -2.074 174.465 176.600 -0.101 0.000 0.932 1331 K CA -0.959 55.303 56.287 -0.042 0.000 0.829 1331 K CB 1.836 34.312 32.500 -0.040 0.000 1.358 1331 K HN 0.181 nan 8.250 nan 0.000 0.430 1332 I N 4.475 124.959 120.570 -0.143 0.000 2.608 1332 I HA 0.380 4.846 4.170 0.493 0.000 0.295 1332 I C -0.652 175.335 176.117 -0.216 0.000 1.049 1332 I CA -1.173 60.025 61.300 -0.169 0.000 1.063 1332 I CB 1.921 39.801 38.000 -0.199 0.000 1.248 1332 I HN 0.414 nan 8.210 nan 0.000 0.424 1333 L N 3.924 125.016 121.223 -0.218 0.000 2.309 1333 L HA 0.427 5.063 4.340 0.493 0.000 0.282 1333 L C 0.652 177.346 176.870 -0.293 0.000 1.036 1333 L CA -0.550 54.088 54.840 -0.336 0.000 0.806 1333 L CB 1.681 43.487 42.059 -0.422 0.000 1.220 1333 L HN 0.721 nan 8.230 nan 0.000 0.429 1334 S N 2.233 117.648 115.700 -0.475 0.000 2.596 1334 S HA 0.214 4.980 4.470 0.493 0.000 0.260 1334 S C -1.873 172.448 174.600 -0.465 0.000 1.336 1334 S CA -0.917 56.732 58.200 -0.919 0.000 0.993 1334 S CB 0.664 62.657 63.200 -2.012 0.000 0.923 1334 S HN 0.465 nan 8.310 nan 0.000 0.567 1335 P HA -0.010 nan 4.420 nan 0.000 0.228 1335 P C 0.749 178.022 177.300 -0.046 0.000 1.151 1335 P CA 0.932 63.970 63.100 -0.103 0.000 0.770 1335 P CB -0.145 31.516 31.700 -0.066 0.000 0.786 1336 E N -1.461 118.550 120.200 -0.315 0.000 2.209 1336 E HA -0.197 4.449 4.350 0.493 0.000 0.196 1336 E C 1.023 177.458 176.600 -0.275 0.000 0.993 1336 E CA 1.040 57.249 56.400 -0.318 0.000 0.819 1336 E CB -0.599 28.876 29.700 -0.376 0.000 0.745 1336 E HN 0.433 nan 8.360 nan 0.000 0.477 1337 Y N -1.151 119.070 120.300 -0.131 0.000 2.529 1337 Y HA 0.090 4.633 4.550 -0.011 0.000 0.290 1337 Y C 0.598 176.586 175.900 0.148 0.000 1.177 1337 Y CA -0.042 58.019 58.100 -0.065 0.000 1.305 1337 Y CB 0.747 39.053 38.460 -0.258 0.000 1.047 1337 Y HN 0.009 nan 8.280 nan 0.000 0.522 1338 C N 1.342 120.823 119.300 0.301 0.000 3.280 1338 C HA 0.167 4.922 4.460 0.493 0.000 0.334 1338 C C -0.955 174.326 174.990 0.486 0.000 0.977 1338 C CA -1.114 58.153 59.018 0.415 0.000 1.264 1338 C CB -1.121 26.899 27.740 0.466 0.000 1.688 1338 C HN 0.523 nan 8.230 nan 0.000 0.592 1339 W N 4.244 125.550 121.300 0.010 0.000 2.551 1339 W HA 0.474 5.384 4.660 0.416 0.000 0.330 1339 W C -0.937 175.188 176.519 -0.656 0.000 1.063 1339 W CA -0.022 57.118 57.345 -0.342 0.000 1.222 1339 W CB 1.365 30.545 29.460 -0.467 0.000 1.349 1339 W HN 0.617 nan 8.180 nan 0.000 0.536 1340 D N 4.293 123.415 120.400 -2.130 0.000 2.396 1340 D HA 0.095 5.031 4.640 0.493 0.000 0.225 1340 D C 0.383 175.821 176.300 -1.436 0.000 1.121 1340 D CA -0.239 52.650 54.000 -1.853 0.000 0.853 1340 D CB 0.265 39.758 40.800 -2.179 0.000 1.043 1340 D HN 0.368 nan 8.370 nan 0.000 0.500 1341 Y N 1.660 121.638 120.300 -0.537 0.000 2.574 1341 Y HA -0.158 4.709 4.550 0.529 0.000 0.294 1341 Y C 1.948 177.765 175.900 -0.138 0.000 1.142 1341 Y CA 0.466 58.475 58.100 -0.151 0.000 1.314 1341 Y CB 0.003 38.488 38.460 0.042 0.000 0.991 1341 Y HN 0.606 nan 8.280 nan 0.000 0.555 1342 H N 0.237 119.221 119.070 -0.144 0.000 2.489 1342 H HA -0.134 4.716 4.556 0.489 0.000 0.293 1342 H C 1.731 176.961 175.328 -0.163 0.000 1.066 1342 H CA 1.503 57.521 56.048 -0.051 0.000 1.305 1342 H CB -0.292 29.520 29.762 0.082 0.000 1.386 1342 H HN 0.355 nan 8.280 nan 0.000 0.551 1343 I N -0.492 119.726 120.570 -0.587 0.000 2.676 1343 I HA 0.031 4.497 4.170 0.493 0.000 0.259 1343 I C 1.589 177.564 176.117 -0.236 0.000 1.194 1343 I CA 0.643 61.524 61.300 -0.699 0.000 1.473 1343 I CB -0.303 37.039 38.000 -1.096 0.000 1.096 1343 I HN 0.568 nan 8.210 nan 0.000 0.443 1344 G N 1.080 109.858 108.800 -0.037 0.000 2.472 1344 G HA2 -0.148 4.108 3.960 0.493 0.000 0.205 1344 G HA3 -0.148 4.108 3.960 0.493 0.000 0.205 1344 G C -1.161 173.956 174.900 0.362 0.000 1.270 1344 G CA -0.510 44.665 45.100 0.125 0.000 0.974 1344 G HN 0.047 nan 8.290 nan 0.000 0.542 1345 L N 2.507 123.858 121.223 0.214 0.000 2.492 1345 L HA 0.630 5.266 4.340 0.493 0.000 0.258 1345 L C -1.540 175.329 176.870 -0.002 0.000 1.028 1345 L CA -1.208 53.705 54.840 0.121 0.000 0.900 1345 L CB 1.059 43.197 42.059 0.132 0.000 1.191 1345 L HN 0.771 nan 8.230 nan 0.000 0.459 1346 P HA 0.406 nan 4.420 nan 0.000 0.282 1346 P C 0.420 177.665 177.300 -0.092 0.000 1.287 1346 P CA -0.346 62.731 63.100 -0.038 0.000 0.792 1346 P CB 1.169 32.881 31.700 0.020 0.000 1.163 1347 A N 0.021 122.807 122.820 -0.057 0.000 1.972 1347 A HA -0.162 4.454 4.320 0.493 0.000 0.219 1347 A C 1.704 179.237 177.584 -0.086 0.000 1.169 1347 A CA 1.803 53.799 52.037 -0.067 0.000 0.635 1347 A CB -1.099 17.870 19.000 -0.051 0.000 0.810 1347 A HN 0.514 nan 8.150 nan 0.000 0.446 1348 D N -0.301 120.057 120.400 -0.069 0.000 2.269 1348 D HA -0.018 4.917 4.640 0.493 0.000 0.208 1348 D C 0.329 176.603 176.300 -0.043 0.000 0.963 1348 D CA 0.581 54.539 54.000 -0.071 0.000 0.864 1348 D CB -0.044 40.792 40.800 0.059 0.000 0.936 1348 D HN 0.264 nan 8.370 nan 0.000 0.505 1349 I N 1.865 122.310 120.570 -0.208 0.000 2.276 1349 I HA 0.062 4.528 4.170 0.493 0.000 0.290 1349 I C 1.240 177.207 176.117 -0.250 0.000 1.109 1349 I CA -0.133 60.944 61.300 -0.370 0.000 1.229 1349 I CB 0.994 38.403 38.000 -0.984 0.000 1.452 1349 I HN -0.258 nan 8.210 nan 0.000 0.497 1350 K N 3.823 124.152 120.400 -0.120 0.000 2.211 1350 K HA 0.179 4.795 4.320 0.493 0.000 0.201 1350 K C 0.223 176.771 176.600 -0.086 0.000 1.052 1350 K CA 0.558 56.796 56.287 -0.083 0.000 0.973 1350 K CB 0.480 32.962 32.500 -0.030 0.000 0.766 1350 K HN 0.353 nan 8.250 nan 0.000 0.466 1351 L N 0.741 121.898 121.223 -0.109 0.000 2.611 1351 L HA 0.266 4.902 4.340 0.493 0.000 0.263 1351 L C -1.366 175.408 176.870 -0.161 0.000 0.969 1351 L CA -0.523 54.259 54.840 -0.097 0.000 0.894 1351 L CB 1.831 43.858 42.059 -0.054 0.000 1.229 1351 L HN -0.290 nan 8.230 nan 0.000 0.416 1352 V N 5.842 125.680 119.914 -0.126 0.000 2.555 1352 V HA 0.235 4.651 4.120 0.493 0.000 0.286 1352 V C 0.868 176.889 176.094 -0.122 0.000 1.044 1352 V CA -0.093 62.120 62.300 -0.145 0.000 1.026 1352 V CB 1.189 32.981 31.823 -0.052 0.000 0.981 1352 V HN 0.777 nan 8.190 nan 0.000 0.480 1353 K N 3.407 123.698 120.400 -0.182 0.000 2.334 1353 K HA 0.365 4.981 4.320 0.493 0.000 0.195 1353 K C 0.093 176.754 176.600 0.101 0.000 1.045 1353 K CA 0.362 56.596 56.287 -0.088 0.000 1.004 1353 K CB 0.372 32.706 32.500 -0.277 0.000 0.837 1353 K HN 0.635 nan 8.250 nan 0.000 0.510 1354 M N 0.065 119.707 119.600 0.070 0.000 2.365 1354 M HA 0.285 5.061 4.480 0.493 0.000 0.287 1354 M C -1.814 174.546 176.300 0.100 0.000 1.154 1354 M CA -0.382 54.946 55.300 0.046 0.000 0.941 1354 M CB 2.188 34.779 32.600 -0.014 0.000 1.704 1354 M HN 0.014 nan 8.290 nan 0.000 0.479 1355 S N 2.279 118.053 115.700 0.122 0.000 2.542 1355 S HA 0.814 5.580 4.470 0.493 0.000 0.293 1355 S C -1.435 173.344 174.600 0.298 0.000 1.089 1355 S CA -0.764 57.527 58.200 0.151 0.000 0.961 1355 S CB 0.822 64.116 63.200 0.156 0.000 1.062 1355 S HN 0.691 nan 8.310 nan 0.000 0.483 1356 W N 1.826 123.120 121.300 -0.009 0.000 2.158 1356 W HA 0.325 5.242 4.660 0.429 0.000 0.339 1356 W C 0.849 177.390 176.519 0.038 0.000 1.294 1356 W CA -0.868 56.490 57.345 0.021 0.000 1.231 1356 W CB -0.084 29.399 29.460 0.040 0.000 1.143 1356 W HN 0.568 nan 8.180 nan 0.000 0.571 1357 Q N 1.400 121.324 119.800 0.205 0.000 2.373 1357 Q HA 0.128 4.764 4.340 0.493 0.000 0.255 1357 Q C 0.262 176.361 176.000 0.166 0.000 0.980 1357 Q CA 0.100 55.992 55.803 0.149 0.000 0.882 1357 Q CB 0.494 29.233 28.738 0.002 0.000 1.249 1357 Q HN 0.336 nan 8.270 nan 0.000 0.438 1358 T N 3.390 118.038 114.554 0.156 0.000 2.940 1358 T HA 0.039 4.685 4.350 0.493 0.000 0.309 1358 T C 0.384 175.097 174.700 0.021 0.000 1.056 1358 T CA -0.295 61.860 62.100 0.092 0.000 1.137 1358 T CB 0.357 69.268 68.868 0.071 0.000 0.976 1358 T HN 0.107 nan 8.240 nan 0.000 0.547 1359 K N 3.162 123.498 120.400 -0.107 0.000 2.382 1359 K HA 0.158 4.774 4.320 0.493 0.000 0.275 1359 K C 0.613 177.031 176.600 -0.302 0.000 1.009 1359 K CA 0.099 56.171 56.287 -0.358 0.000 0.970 1359 K CB 0.475 32.511 32.500 -0.773 0.000 0.934 1359 K HN 0.677 nan 8.250 nan 0.000 0.479 1360 E N 2.067 122.108 120.200 -0.264 0.000 3.729 1360 E HA 0.076 4.722 4.350 0.493 0.000 0.195 1360 E C 0.267 176.825 176.600 -0.069 0.000 1.005 1360 E CA -0.048 56.281 56.400 -0.117 0.000 1.356 1360 E CB 0.159 29.864 29.700 0.007 0.000 1.138 1360 E HN 0.530 nan 8.360 nan 0.000 0.450 1361 Y N 0.343 120.576 120.300 -0.112 0.000 2.241 1361 Y HA -0.287 4.557 4.550 0.490 0.000 0.286 1361 Y C 2.434 178.256 175.900 -0.130 0.000 1.166 1361 Y CA 0.946 58.946 58.100 -0.166 0.000 1.203 1361 Y CB -0.113 38.230 38.460 -0.194 0.000 0.977 1361 Y HN 0.252 nan 8.280 nan 0.000 0.529 1362 N N 0.198 118.939 118.700 0.068 0.000 2.364 1362 N HA -0.138 4.898 4.740 0.493 0.000 0.183 1362 N C 1.227 176.738 175.510 0.002 0.000 1.022 1362 N CA 1.135 54.204 53.050 0.032 0.000 0.883 1362 N CB -0.099 38.402 38.487 0.023 0.000 0.965 1362 N HN 0.091 nan 8.380 nan 0.000 0.438 1363 V N -0.780 119.113 119.914 -0.036 0.000 2.922 1363 V HA 0.010 4.426 4.120 0.493 0.000 0.242 1363 V C 1.931 177.931 176.094 -0.156 0.000 1.094 1363 V CA 1.005 63.259 62.300 -0.077 0.000 1.106 1363 V CB 0.422 32.205 31.823 -0.068 0.000 0.799 1363 V HN 0.363 nan 8.190 nan 0.000 0.474 1364 V N -1.740 118.034 119.914 -0.234 0.000 3.354 1364 V HA 0.272 4.687 4.120 0.493 0.000 0.258 1364 V C 1.007 177.101 176.094 0.001 0.000 1.159 1364 V CA 0.357 62.477 62.300 -0.299 0.000 1.125 1364 V CB -0.482 30.939 31.823 -0.670 0.000 0.774 1364 V HN 0.354 nan 8.190 nan 0.000 0.464 1365 R N 0.637 121.140 120.500 0.006 0.000 2.604 1365 R HA 0.529 5.165 4.340 0.493 0.000 0.287 1365 R C -0.604 175.728 176.300 0.053 0.000 0.970 1365 R CA -0.117 55.998 56.100 0.026 0.000 0.946 1365 R CB 1.187 31.336 30.300 -0.252 0.000 1.127 1365 R HN 0.261 nan 8.270 nan 0.000 0.473 1366 N N 0.922 119.692 118.700 0.116 0.000 2.517 1366 N HA 0.076 5.112 4.740 0.493 0.000 0.285 1366 N C -1.534 174.054 175.510 0.130 0.000 1.528 1366 N CA -0.302 52.807 53.050 0.099 0.000 0.892 1366 N CB 0.336 38.868 38.487 0.074 0.000 1.356 1366 N HN 0.569 nan 8.380 nan 0.000 0.495 1367 N N -1.589 117.240 118.700 0.214 0.000 2.494 1367 N HA 0.292 5.328 4.740 0.493 0.000 0.270 1367 N C -0.853 174.839 175.510 0.302 0.000 1.285 1367 N CA -0.542 52.630 53.050 0.204 0.000 0.812 1367 N CB 1.390 39.962 38.487 0.142 0.000 1.557 1367 N HN -0.314 nan 8.380 nan 0.000 0.487 1368 V N 0.000 120.035 119.914 0.201 0.000 2.409 1368 V HA 0.000 4.416 4.120 0.493 0.000 0.244 1368 V CA 0.000 62.441 62.300 0.234 0.000 1.235 1368 V CB 0.000 31.899 31.823 0.126 0.000 1.184 1368 V HN 0.000 nan 8.190 nan 0.000 0.556