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 3lcs_1_A DATA FIRST_RESID 1096 DATA SEQUENCE YCFAGKTSSI SDLKEVPRKN ITLIRGLGHG AFGEVYEGQV SGMPNDPSPL DATA SEQUENCE QVAVKTLPEV CSEQDELDFL MEALIISKFN HQNIVRCIGV SLQSLPRFIL DATA SEQUENCE LELMAGGDLK SFLRETRPRP SQPSSLAMLD LLHVARDIAC GCQYLEENHF DATA SEQUENCE IHRDIAARNC LLTCPGPGRV AKIGDFGMAR DIYRAGYYRK GGCAMLPVKW DATA SEQUENCE MPPEAFMEGI FTSKTDTWSF GVLLWEIFSL GYMPYPSKSN QEVLEFVTSG DATA SEQUENCE GRMDPPKNCP GPVYRIMTQC WQHQPEDRPN FAIILERIEY CTQDPDVINT DATA SEQUENCE ALPI 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 1096 Y HA 0.000 nan 4.550 nan 0.000 0.201 1096 Y C 0.000 175.926 175.900 0.043 0.000 1.272 1096 Y CA 0.000 58.124 58.100 0.039 0.000 1.940 1096 Y CB 0.000 38.360 38.460 -0.166 0.000 1.050 1097 C N 7.818 126.762 119.300 -0.594 0.000 2.417 1097 C HA 0.888 5.362 4.460 0.025 0.000 0.324 1097 C C -1.432 173.187 174.990 -0.618 0.000 1.240 1097 C CA -0.596 58.150 59.018 -0.454 0.000 1.632 1097 C CB -0.271 27.395 27.740 -0.124 0.000 2.241 1097 C HN 0.761 nan 8.230 nan 0.000 0.499 1098 F N 4.586 124.231 119.950 -0.509 0.000 2.615 1098 F HA 0.581 5.123 4.527 0.025 0.000 0.312 1098 F C 0.458 176.187 175.800 -0.118 0.000 1.119 1098 F CA 0.443 58.264 58.000 -0.298 0.000 0.979 1098 F CB 1.560 40.368 39.000 -0.321 0.000 1.266 1098 F HN 1.171 nan 8.300 nan 0.000 0.444 1099 A N 3.504 125.795 122.820 -0.882 0.000 2.783 1099 A HA 0.123 4.457 4.320 0.025 0.000 0.292 1099 A C 1.466 178.884 177.584 -0.276 0.000 1.495 1099 A CA 1.574 53.209 52.037 -0.669 0.000 0.787 1099 A CB -2.292 16.187 19.000 -0.869 0.000 1.017 1099 A HN 2.769 nan 8.150 nan 0.000 0.516 1100 G N -2.696 105.994 108.800 -0.184 0.000 2.132 1100 G HA2 -0.096 3.879 3.960 0.025 0.000 0.234 1100 G HA3 -0.096 3.879 3.960 0.025 0.000 0.234 1100 G C -0.135 174.719 174.900 -0.077 0.000 0.989 1100 G CA 1.087 46.125 45.100 -0.103 0.000 0.676 1100 G HN 1.321 nan 8.290 nan 0.000 0.522 1101 K N 0.159 120.509 120.400 -0.083 0.000 2.468 1101 K HA 0.701 5.036 4.320 0.025 0.000 0.252 1101 K C -0.329 176.235 176.600 -0.059 0.000 0.932 1101 K CA -0.333 55.925 56.287 -0.049 0.000 0.794 1101 K CB 1.830 34.317 32.500 -0.021 0.000 1.241 1101 K HN 0.073 nan 8.250 nan 0.000 0.428 1102 T N 1.206 115.739 114.554 -0.036 0.000 2.824 1102 T HA 0.650 5.015 4.350 0.025 0.000 0.280 1102 T C -0.770 173.932 174.700 0.004 0.000 0.995 1102 T CA -0.752 61.331 62.100 -0.029 0.000 1.009 1102 T CB 1.146 70.010 68.868 -0.006 0.000 0.955 1102 T HN 0.649 nan 8.240 nan 0.000 0.452 1103 S N 1.297 117.014 115.700 0.028 0.000 2.618 1103 S HA 0.900 5.385 4.470 0.025 0.000 0.277 1103 S C -0.572 174.073 174.600 0.076 0.000 1.138 1103 S CA -0.834 57.396 58.200 0.050 0.000 0.844 1103 S CB 1.929 65.161 63.200 0.052 0.000 1.127 1103 S HN 0.849 nan 8.310 nan 0.000 0.474 1104 S N 0.388 116.120 115.700 0.054 0.000 2.732 1104 S HA 0.555 5.039 4.470 0.025 0.000 0.293 1104 S C 0.910 175.527 174.600 0.028 0.000 1.159 1104 S CA -0.662 57.569 58.200 0.051 0.000 0.847 1104 S CB 0.432 63.660 63.200 0.047 0.000 1.169 1104 S HN 1.046 nan 8.310 nan 0.000 0.501 1105 I N 1.255 121.839 120.570 0.024 0.000 2.285 1105 I HA -0.282 3.903 4.170 0.025 0.000 0.253 1105 I C 1.760 177.883 176.117 0.010 0.000 1.104 1105 I CA 2.068 63.376 61.300 0.013 0.000 1.372 1105 I CB -0.294 37.720 38.000 0.023 0.000 1.057 1105 I HN 0.738 nan 8.210 nan 0.000 0.431 1106 S N 0.028 115.737 115.700 0.014 0.000 2.489 1106 S HA -0.091 4.394 4.470 0.025 0.000 0.228 1106 S C 1.312 175.917 174.600 0.008 0.000 0.995 1106 S CA 0.861 59.068 58.200 0.012 0.000 0.934 1106 S CB -0.210 62.998 63.200 0.014 0.000 0.771 1106 S HN 0.554 nan 8.310 nan 0.000 0.522 1107 D N 1.176 121.581 120.400 0.007 0.000 2.355 1107 D HA 0.103 4.758 4.640 0.025 0.000 0.218 1107 D C 0.136 176.433 176.300 -0.005 0.000 1.004 1107 D CA 0.296 54.298 54.000 0.004 0.000 0.880 1107 D CB 0.085 40.890 40.800 0.009 0.000 0.911 1107 D HN 0.355 nan 8.370 nan 0.000 0.528 1108 L N 1.421 122.638 121.223 -0.010 0.000 2.331 1108 L HA 0.127 4.482 4.340 0.025 0.000 0.278 1108 L C 0.942 177.808 176.870 -0.007 0.000 1.106 1108 L CA -0.439 54.390 54.840 -0.018 0.000 0.824 1108 L CB 0.923 42.965 42.059 -0.028 0.000 1.142 1108 L HN -0.362 nan 8.230 nan 0.000 0.443 1109 K N 3.658 124.054 120.400 -0.007 0.000 2.336 1109 K HA 0.003 4.338 4.320 0.025 0.000 0.290 1109 K C -0.283 176.323 176.600 0.009 0.000 1.067 1109 K CA -0.056 56.232 56.287 0.001 0.000 0.962 1109 K CB 0.384 32.885 32.500 0.000 0.000 1.008 1109 K HN 0.465 nan 8.250 nan 0.000 0.467 1110 E N 3.497 123.704 120.200 0.012 0.000 2.166 1110 E HA 0.042 4.407 4.350 0.025 0.000 0.279 1110 E C -0.617 175.995 176.600 0.021 0.000 1.095 1110 E CA -0.474 55.938 56.400 0.019 0.000 0.888 1110 E CB 0.573 30.281 29.700 0.014 0.000 1.041 1110 E HN 0.300 nan 8.360 nan 0.000 0.414 1111 V N 4.037 123.971 119.914 0.033 0.000 2.481 1111 V HA 0.635 4.770 4.120 0.025 0.000 0.286 1111 V C -2.422 173.692 176.094 0.034 0.000 1.042 1111 V CA -2.381 59.939 62.300 0.034 0.000 0.928 1111 V CB 1.198 33.046 31.823 0.042 0.000 0.986 1111 V HN 0.653 nan 8.190 nan 0.000 0.462 1112 P HA 0.213 nan 4.420 nan 0.000 0.265 1112 P C 0.237 177.552 177.300 0.024 0.000 1.193 1112 P CA -0.035 63.075 63.100 0.016 0.000 0.765 1112 P CB 0.594 32.301 31.700 0.011 0.000 0.823 1113 R N 5.384 125.887 120.500 0.006 0.000 2.096 1113 R HA -0.180 4.174 4.340 0.025 0.000 0.235 1113 R C 1.809 178.126 176.300 0.028 0.000 1.127 1113 R CA 2.076 58.179 56.100 0.005 0.000 0.968 1113 R CB -0.776 29.486 30.300 -0.063 0.000 0.861 1113 R HN 0.464 nan 8.270 nan 0.000 0.440 1114 K N -0.663 119.745 120.400 0.012 0.000 2.281 1114 K HA -0.104 4.231 4.320 0.025 0.000 0.203 1114 K C 1.179 177.794 176.600 0.025 0.000 1.046 1114 K CA 2.024 58.320 56.287 0.015 0.000 0.938 1114 K CB -0.357 32.146 32.500 0.005 0.000 0.737 1114 K HN 0.334 nan 8.250 nan 0.000 0.458 1115 N N 0.423 119.142 118.700 0.031 0.000 2.463 1115 N HA 0.107 4.861 4.740 0.025 0.000 0.181 1115 N C -0.284 175.252 175.510 0.044 0.000 1.078 1115 N CA 0.046 53.115 53.050 0.032 0.000 0.902 1115 N CB 0.089 38.593 38.487 0.029 0.000 0.970 1115 N HN 0.191 nan 8.380 nan 0.000 0.451 1116 I N 0.680 121.292 120.570 0.068 0.000 2.354 1116 I HA 0.216 4.401 4.170 0.025 0.000 0.292 1116 I C -0.368 175.791 176.117 0.071 0.000 0.989 1116 I CA -0.384 60.968 61.300 0.087 0.000 1.188 1116 I CB 1.868 39.975 38.000 0.179 0.000 1.342 1116 I HN -0.215 nan 8.210 nan 0.000 0.457 1117 T N 6.869 121.441 114.554 0.030 0.000 2.824 1117 T HA 0.535 4.900 4.350 0.025 0.000 0.282 1117 T C -0.211 174.473 174.700 -0.027 0.000 0.993 1117 T CA -0.553 61.553 62.100 0.009 0.000 0.967 1117 T CB 1.333 70.205 68.868 0.007 0.000 0.960 1117 T HN 0.286 nan 8.240 nan 0.000 0.441 1118 L N 4.186 125.374 121.223 -0.058 0.000 2.305 1118 L HA 0.462 4.817 4.340 0.025 0.000 0.281 1118 L C 0.838 177.692 176.870 -0.027 0.000 1.085 1118 L CA -0.419 54.361 54.840 -0.100 0.000 0.813 1118 L CB 0.828 42.735 42.059 -0.254 0.000 1.157 1118 L HN 0.691 nan 8.230 nan 0.000 0.436 1119 I N 2.016 122.596 120.570 0.017 0.000 2.685 1119 I HA 0.116 4.300 4.170 0.025 0.000 0.251 1119 I C 0.780 176.939 176.117 0.069 0.000 1.102 1119 I CA 0.378 61.698 61.300 0.034 0.000 1.442 1119 I CB 0.237 38.253 38.000 0.026 0.000 1.194 1119 I HN 0.656 nan 8.210 nan 0.000 0.448 1120 R N 0.751 121.321 120.500 0.116 0.000 2.663 1120 R HA 0.438 4.793 4.340 0.025 0.000 0.267 1120 R C -0.771 175.629 176.300 0.167 0.000 1.038 1120 R CA -0.667 55.509 56.100 0.126 0.000 0.886 1120 R CB 0.912 31.246 30.300 0.056 0.000 1.249 1120 R HN 0.020 nan 8.270 nan 0.000 0.463 1121 G N 1.456 110.298 108.800 0.070 0.000 2.442 1121 G HA2 0.369 4.344 3.960 0.025 0.000 0.249 1121 G HA3 0.369 4.344 3.960 0.025 0.000 0.249 1121 G C 0.429 175.217 174.900 -0.186 0.000 1.263 1121 G CA -0.655 44.288 45.100 -0.261 0.000 0.846 1121 G HN 0.510 nan 8.290 nan 0.000 0.555 1122 L N 1.512 122.581 121.223 -0.257 0.000 2.547 1122 L HA 0.440 4.794 4.340 0.025 0.000 0.218 1122 L C 1.363 178.151 176.870 -0.137 0.000 1.048 1122 L CA 0.721 55.477 54.840 -0.139 0.000 0.859 1122 L CB 0.190 42.191 42.059 -0.097 0.000 1.128 1122 L HN 0.794 nan 8.230 nan 0.000 0.483 1123 G N -1.067 107.625 108.800 -0.180 0.000 2.323 1123 G HA2 0.369 4.344 3.960 0.025 0.000 0.291 1123 G HA3 0.369 4.344 3.960 0.025 0.000 0.291 1123 G C -2.026 172.824 174.900 -0.084 0.000 1.278 1123 G CA -0.435 44.577 45.100 -0.146 0.000 0.860 1123 G HN 0.316 nan 8.290 nan 0.000 0.504 1124 H N -2.293 116.735 119.070 -0.071 0.000 3.079 1124 H HA 0.788 5.357 4.556 0.021 0.000 0.356 1124 H C 0.214 175.544 175.328 0.004 0.000 1.221 1124 H CA -0.119 55.905 56.048 -0.040 0.000 1.185 1124 H CB 1.220 30.955 29.762 -0.045 0.000 1.882 1124 H HN 1.158 nan 8.280 nan 0.000 0.543 1125 G N 0.059 108.961 108.800 0.169 0.000 2.782 1125 G HA2 0.478 4.453 3.960 0.025 0.000 0.201 1125 G HA3 0.478 4.453 3.960 0.025 0.000 0.201 1125 G C 0.892 175.960 174.900 0.279 0.000 1.374 1125 G CA -0.596 44.600 45.100 0.160 0.000 1.039 1125 G HN 0.925 nan 8.290 nan 0.000 0.576 1126 A N -1.257 121.700 122.820 0.228 0.000 1.908 1126 A HA 0.200 4.535 4.320 0.025 0.000 0.218 1126 A C 0.615 178.400 177.584 0.336 0.000 1.181 1126 A CA 1.079 53.263 52.037 0.245 0.000 0.627 1126 A CB -0.384 18.737 19.000 0.203 0.000 0.818 1126 A HN 0.499 nan 8.150 nan 0.000 0.445 1127 F N -1.282 118.731 119.950 0.105 0.000 2.745 1127 F HA 0.498 5.038 4.527 0.022 0.000 0.343 1127 F C 0.361 176.218 175.800 0.096 0.000 1.196 1127 F CA 0.492 58.540 58.000 0.080 0.000 1.021 1127 F CB 1.167 40.211 39.000 0.073 0.000 1.297 1127 F HN 0.670 nan 8.300 nan 0.000 0.486 1128 G N 4.015 112.674 108.800 -0.234 0.000 2.655 1128 G HA2 -0.053 3.922 3.960 0.025 0.000 0.680 1128 G HA3 -0.053 3.922 3.960 0.025 0.000 0.680 1128 G C -1.483 173.426 174.900 0.016 0.000 1.302 1128 G CA -0.913 44.102 45.100 -0.142 0.000 0.872 1128 G HN 0.633 nan 8.290 nan 0.000 0.540 1129 E N -1.824 118.413 120.200 0.062 0.000 2.359 1129 E HA 0.692 5.056 4.350 0.025 0.000 0.266 1129 E C -0.825 175.802 176.600 0.045 0.000 0.920 1129 E CA -1.027 55.397 56.400 0.040 0.000 0.788 1129 E CB 2.769 32.480 29.700 0.018 0.000 1.279 1129 E HN 0.528 nan 8.360 nan 0.000 0.438 1130 V N 1.786 121.635 119.914 -0.109 0.000 2.588 1130 V HA 0.420 4.555 4.120 0.025 0.000 0.304 1130 V C -1.409 174.532 176.094 -0.255 0.000 1.042 1130 V CA -0.765 61.496 62.300 -0.064 0.000 0.877 1130 V CB 0.855 32.657 31.823 -0.034 0.000 0.996 1130 V HN 0.563 nan 8.190 nan 0.000 0.425 1131 Y N 1.145 121.402 120.300 -0.071 0.000 2.570 1131 Y HA 0.492 5.058 4.550 0.026 0.000 0.345 1131 Y C 0.293 176.145 175.900 -0.079 0.000 1.014 1131 Y CA -0.864 57.188 58.100 -0.080 0.000 1.063 1131 Y CB 1.724 40.108 38.460 -0.127 0.000 1.272 1131 Y HN 0.677 nan 8.280 nan 0.000 0.477 1132 E N 0.831 121.090 120.200 0.098 0.000 2.331 1132 E HA 0.562 4.927 4.350 0.025 0.000 0.272 1132 E C -0.422 176.200 176.600 0.037 0.000 1.036 1132 E CA -0.217 56.210 56.400 0.045 0.000 0.864 1132 E CB 0.773 30.490 29.700 0.028 0.000 1.035 1132 E HN 0.856 nan 8.360 nan 0.000 0.408 1133 G N 2.581 111.381 108.800 0.000 0.000 2.766 1133 G HA2 0.381 4.356 3.960 0.025 0.000 0.288 1133 G HA3 0.381 4.356 3.960 0.025 0.000 0.288 1133 G C -1.415 173.479 174.900 -0.010 0.000 1.408 1133 G CA -0.555 44.532 45.100 -0.021 0.000 0.852 1133 G HN 0.535 nan 8.290 nan 0.000 0.487 1134 Q N -0.757 119.039 119.800 -0.007 0.000 2.347 1134 Q HA 0.544 4.898 4.340 0.025 0.000 0.271 1134 Q C -0.777 175.228 176.000 0.009 0.000 1.064 1134 Q CA -0.924 54.879 55.803 0.001 0.000 0.800 1134 Q CB 3.068 31.808 28.738 0.004 0.000 1.304 1134 Q HN 0.698 nan 8.270 nan 0.000 0.438 1135 V N -0.116 119.804 119.914 0.011 0.000 2.581 1135 V HA 0.992 5.126 4.120 0.025 0.000 0.303 1135 V C -0.830 175.273 176.094 0.014 0.000 1.041 1135 V CA -0.282 62.030 62.300 0.019 0.000 0.907 1135 V CB 1.716 33.554 31.823 0.024 0.000 0.994 1135 V HN 0.832 nan 8.190 nan 0.000 0.442 1136 S N 2.294 118.004 115.700 0.016 0.000 2.583 1136 S HA 0.519 5.003 4.470 0.025 0.000 0.294 1136 S C 0.157 174.765 174.600 0.013 0.000 1.121 1136 S CA -0.104 58.104 58.200 0.012 0.000 0.910 1136 S CB 0.812 64.018 63.200 0.009 0.000 1.102 1136 S HN 1.760 nan 8.310 nan 0.000 0.451 1137 G N 1.502 110.308 108.800 0.010 0.000 3.042 1137 G HA2 0.305 4.279 3.960 0.025 0.000 0.212 1137 G HA3 0.305 4.279 3.960 0.025 0.000 0.212 1137 G C 0.159 175.063 174.900 0.007 0.000 1.166 1137 G CA 0.014 45.120 45.100 0.009 0.000 0.767 1137 G HN 0.828 nan 8.290 nan 0.000 0.546 1138 M N 1.618 121.222 119.600 0.006 0.000 2.243 1138 M HA 0.509 5.004 4.480 0.025 0.000 0.324 1138 M C -2.825 173.478 176.300 0.005 0.000 1.031 1138 M CA -2.620 52.682 55.300 0.005 0.000 0.949 1138 M CB 3.071 35.673 32.600 0.004 0.000 1.615 1138 M HN -0.241 nan 8.290 nan 0.000 0.430 1139 P HA 0.279 nan 4.420 nan 0.000 0.293 1139 P C -1.058 176.244 177.300 0.003 0.000 1.313 1139 P CA -0.189 62.913 63.100 0.004 0.000 0.787 1139 P CB 0.934 32.636 31.700 0.003 0.000 0.910 1140 N N 1.694 120.396 118.700 0.003 0.000 2.356 1140 N HA -0.023 4.732 4.740 0.025 0.000 0.178 1140 N C -0.367 175.145 175.510 0.003 0.000 1.075 1140 N CA 0.377 53.429 53.050 0.003 0.000 0.889 1140 N CB -0.130 38.359 38.487 0.003 0.000 0.999 1140 N HN 0.456 nan 8.380 nan 0.000 0.464 1141 D N -0.027 120.375 120.400 0.003 0.000 5.167 1141 D HA -0.111 4.544 4.640 0.025 0.000 0.237 1141 D C -1.564 174.737 176.300 0.002 0.000 1.278 1141 D CA -0.083 53.919 54.000 0.003 0.000 1.266 1141 D CB 0.386 41.189 40.800 0.004 0.000 0.704 1141 D HN 0.180 nan 8.370 nan 0.000 0.350 1142 P HA -0.063 nan 4.420 nan 0.000 0.218 1142 P C -0.129 177.171 177.300 0.001 0.000 1.149 1142 P CA 0.685 63.785 63.100 0.001 0.000 0.817 1142 P CB 0.338 32.038 31.700 0.001 0.000 0.785 1143 S N 1.057 116.757 115.700 0.001 0.000 2.259 1143 S HA 0.334 4.819 4.470 0.025 0.000 0.181 1143 S C -2.480 172.120 174.600 0.001 0.000 1.589 1143 S CA -1.007 57.193 58.200 0.000 0.000 1.234 1143 S CB 0.978 64.178 63.200 -0.001 0.000 1.119 1143 S HN 0.133 nan 8.310 nan 0.000 0.458 1144 P HA 0.211 nan 4.420 nan 0.000 0.272 1144 P C -0.406 176.895 177.300 0.001 0.000 1.230 1144 P CA -0.711 62.390 63.100 0.003 0.000 0.788 1144 P CB 0.608 32.310 31.700 0.004 0.000 0.949 1145 L N 1.875 123.099 121.223 0.002 0.000 2.361 1145 L HA 0.190 4.545 4.340 0.025 0.000 0.278 1145 L C 0.340 177.210 176.870 -0.000 0.000 1.113 1145 L CA -0.021 54.819 54.840 -0.000 0.000 0.849 1145 L CB -0.003 42.056 42.059 0.001 0.000 1.155 1145 L HN 0.259 nan 8.230 nan 0.000 0.452 1146 Q N 3.293 123.092 119.800 -0.003 0.000 2.288 1146 Q HA 0.578 4.933 4.340 0.025 0.000 0.254 1146 Q C -0.812 175.185 176.000 -0.005 0.000 0.932 1146 Q CA 0.099 55.900 55.803 -0.003 0.000 0.902 1146 Q CB 1.258 29.994 28.738 -0.004 0.000 1.203 1146 Q HN 0.593 nan 8.270 nan 0.000 0.415 1147 V N -0.313 119.598 119.914 -0.006 0.000 3.181 1147 V HA 1.015 5.150 4.120 0.025 0.000 0.308 1147 V C -1.175 174.913 176.094 -0.009 0.000 1.214 1147 V CA -0.996 61.299 62.300 -0.008 0.000 1.053 1147 V CB 1.761 33.579 31.823 -0.007 0.000 1.069 1147 V HN 0.780 nan 8.190 nan 0.000 0.441 1148 A N 1.335 124.150 122.820 -0.008 0.000 2.312 1148 A HA 0.865 5.200 4.320 0.025 0.000 0.326 1148 A C -0.582 176.992 177.584 -0.016 0.000 1.172 1148 A CA -0.664 51.370 52.037 -0.005 0.000 0.821 1148 A CB 1.429 20.428 19.000 -0.001 0.000 1.166 1148 A HN 1.532 nan 8.150 nan 0.000 0.493 1149 V N 2.796 122.694 119.914 -0.028 0.000 2.350 1149 V HA 0.350 4.485 4.120 0.025 0.000 0.285 1149 V C 0.091 176.182 176.094 -0.005 0.000 1.014 1149 V CA -0.609 61.629 62.300 -0.103 0.000 0.831 1149 V CB 1.168 32.768 31.823 -0.371 0.000 1.000 1149 V HN 0.922 nan 8.190 nan 0.000 0.433 1150 K N 3.437 123.882 120.400 0.076 0.000 2.183 1150 K HA 0.620 4.955 4.320 0.025 0.000 0.274 1150 K C 0.186 177.008 176.600 0.369 0.000 1.009 1150 K CA -0.273 56.130 56.287 0.193 0.000 0.888 1150 K CB 1.267 33.875 32.500 0.181 0.000 1.078 1150 K HN 0.875 nan 8.250 nan 0.000 0.459 1151 T N 1.187 115.936 114.554 0.324 0.000 2.940 1151 T HA 0.474 4.839 4.350 0.025 0.000 0.288 1151 T C -0.811 173.876 174.700 -0.021 0.000 1.033 1151 T CA -1.039 61.230 62.100 0.281 0.000 1.033 1151 T CB 1.210 70.226 68.868 0.246 0.000 1.079 1151 T HN 0.376 nan 8.240 nan 0.000 0.496 1152 L N 2.496 123.458 121.223 -0.435 0.000 2.305 1152 L HA 0.598 4.953 4.340 0.025 0.000 0.284 1152 L C -2.677 173.964 176.870 -0.383 0.000 1.013 1152 L CA -2.281 52.147 54.840 -0.687 0.000 0.819 1152 L CB 1.084 42.364 42.059 -1.300 0.000 1.227 1152 L HN 0.478 nan 8.230 nan 0.000 0.417 1153 P HA 0.070 nan 4.420 nan 0.000 0.265 1153 P C 0.008 177.182 177.300 -0.211 0.000 1.193 1153 P CA 0.176 63.054 63.100 -0.371 0.000 0.765 1153 P CB 0.521 31.800 31.700 -0.702 0.000 0.823 1154 E N 0.898 121.016 120.200 -0.137 0.000 2.204 1154 E HA -0.044 4.321 4.350 0.025 0.000 0.194 1154 E C 0.069 176.647 176.600 -0.036 0.000 0.989 1154 E CA 0.741 57.091 56.400 -0.085 0.000 0.824 1154 E CB 0.122 29.779 29.700 -0.071 0.000 0.756 1154 E HN 0.238 nan 8.360 nan 0.000 0.477 1155 V N 2.875 122.775 119.914 -0.023 0.000 2.338 1155 V HA 0.104 4.239 4.120 0.025 0.000 0.255 1155 V C 0.268 176.441 176.094 0.131 0.000 1.082 1155 V CA -0.484 61.837 62.300 0.035 0.000 0.951 1155 V CB -0.564 31.277 31.823 0.030 0.000 1.102 1155 V HN 0.303 nan 8.190 nan 0.000 0.489 1156 C N 2.218 121.598 119.300 0.133 0.000 3.311 1156 C HA 0.844 5.318 4.460 0.025 0.000 0.325 1156 C C 0.288 175.335 174.990 0.096 0.000 1.352 1156 C CA -0.486 58.660 59.018 0.213 0.000 1.308 1156 C CB 1.305 29.230 27.740 0.310 0.000 1.619 1156 C HN 0.774 nan 8.230 nan 0.000 0.469 1157 S N 0.021 115.755 115.700 0.057 0.000 2.624 1157 S HA 0.283 4.768 4.470 0.025 0.000 0.263 1157 S C 0.754 175.373 174.600 0.032 0.000 1.287 1157 S CA 0.529 58.743 58.200 0.023 0.000 0.990 1157 S CB 0.712 63.905 63.200 -0.012 0.000 0.950 1157 S HN 1.015 nan 8.310 nan 0.000 0.561 1158 E N -0.161 120.054 120.200 0.024 0.000 2.204 1158 E HA -0.168 4.197 4.350 0.025 0.000 0.195 1158 E C 1.677 178.297 176.600 0.033 0.000 0.990 1158 E CA 0.842 57.259 56.400 0.030 0.000 0.821 1158 E CB -0.041 29.673 29.700 0.023 0.000 0.750 1158 E HN 0.593 nan 8.360 nan 0.000 0.477 1159 Q N 0.551 120.362 119.800 0.018 0.000 2.123 1159 Q HA -0.129 4.225 4.340 0.025 0.000 0.199 1159 Q C 1.600 177.614 176.000 0.024 0.000 0.966 1159 Q CA 0.968 56.778 55.803 0.011 0.000 0.845 1159 Q CB -0.057 28.671 28.738 -0.016 0.000 0.907 1159 Q HN 0.383 nan 8.270 nan 0.000 0.439 1160 D N 0.832 121.245 120.400 0.022 0.000 2.097 1160 D HA -0.155 4.500 4.640 0.025 0.000 0.195 1160 D C 1.806 178.199 176.300 0.155 0.000 0.989 1160 D CA 0.927 54.968 54.000 0.067 0.000 0.827 1160 D CB 0.001 40.854 40.800 0.088 0.000 0.966 1160 D HN 0.314 nan 8.370 nan 0.000 0.456 1161 E N 0.337 120.611 120.200 0.124 0.000 2.038 1161 E HA -0.144 4.220 4.350 0.025 0.000 0.195 1161 E C 2.349 179.055 176.600 0.176 0.000 1.000 1161 E CA 0.736 57.221 56.400 0.141 0.000 0.803 1161 E CB -0.110 29.641 29.700 0.084 0.000 0.750 1161 E HN 0.177 nan 8.360 nan 0.000 0.448 1162 L N 0.708 122.001 121.223 0.116 0.000 2.083 1162 L HA -0.212 4.143 4.340 0.025 0.000 0.209 1162 L C 2.057 178.990 176.870 0.105 0.000 1.083 1162 L CA 1.042 55.941 54.840 0.098 0.000 0.752 1162 L CB -0.354 41.746 42.059 0.068 0.000 0.899 1162 L HN 0.140 nan 8.230 nan 0.000 0.433 1163 D N -0.241 120.228 120.400 0.115 0.000 2.104 1163 D HA -0.240 4.415 4.640 0.025 0.000 0.194 1163 D C 1.952 178.346 176.300 0.156 0.000 0.994 1163 D CA 1.361 55.429 54.000 0.114 0.000 0.830 1163 D CB -0.260 40.607 40.800 0.112 0.000 0.959 1163 D HN 0.227 nan 8.370 nan 0.000 0.452 1164 F N 0.982 120.968 119.950 0.061 0.000 2.102 1164 F HA -0.142 4.399 4.527 0.023 0.000 0.298 1164 F C 2.283 178.099 175.800 0.026 0.000 1.105 1164 F CA 0.935 58.974 58.000 0.065 0.000 1.239 1164 F CB -0.114 38.941 39.000 0.092 0.000 0.991 1164 F HN -0.080 nan 8.300 nan 0.000 0.474 1165 L N -0.195 121.101 121.223 0.121 0.000 1.990 1165 L HA -0.304 4.051 4.340 0.025 0.000 0.213 1165 L C 2.455 179.259 176.870 -0.110 0.000 1.072 1165 L CA 2.044 56.882 54.840 -0.003 0.000 0.755 1165 L CB -0.437 41.656 42.059 0.057 0.000 0.889 1165 L HN 0.346 nan 8.230 nan 0.000 0.432 1166 M N 0.142 119.694 119.600 -0.080 0.000 2.159 1166 M HA -0.251 4.243 4.480 0.025 0.000 0.263 1166 M C 2.015 178.141 176.300 -0.289 0.000 1.063 1166 M CA 1.892 57.088 55.300 -0.174 0.000 1.110 1166 M CB -0.459 32.094 32.600 -0.079 0.000 1.374 1166 M HN 0.281 nan 8.290 nan 0.000 0.411 1167 E N -0.578 119.495 120.200 -0.212 0.000 2.085 1167 E HA -0.219 4.146 4.350 0.025 0.000 0.194 1167 E C 1.841 178.255 176.600 -0.309 0.000 0.994 1167 E CA 1.527 57.791 56.400 -0.226 0.000 0.801 1167 E CB -0.199 29.405 29.700 -0.161 0.000 0.743 1167 E HN 0.574 nan 8.360 nan 0.000 0.453 1168 A N 1.082 123.695 122.820 -0.345 0.000 1.858 1168 A HA -0.172 4.163 4.320 0.025 0.000 0.216 1168 A C 2.254 179.657 177.584 -0.303 0.000 1.190 1168 A CA 1.462 53.315 52.037 -0.307 0.000 0.617 1168 A CB -0.827 18.003 19.000 -0.283 0.000 0.827 1168 A HN 0.337 nan 8.150 nan 0.000 0.443 1169 L N -0.649 120.380 121.223 -0.323 0.000 2.042 1169 L HA -0.227 4.127 4.340 0.025 0.000 0.210 1169 L C 2.552 179.067 176.870 -0.590 0.000 1.076 1169 L CA 1.472 56.104 54.840 -0.348 0.000 0.749 1169 L CB -0.597 41.283 42.059 -0.298 0.000 0.893 1169 L HN 0.399 nan 8.230 nan 0.000 0.432 1170 I N -0.146 119.896 120.570 -0.880 0.000 2.142 1170 I HA -0.335 3.850 4.170 0.025 0.000 0.240 1170 I C 2.434 177.899 176.117 -1.087 0.000 1.078 1170 I CA 1.637 62.250 61.300 -1.144 0.000 1.343 1170 I CB -0.234 37.236 38.000 -0.883 0.000 1.046 1170 I HN 0.152 nan 8.210 nan 0.000 0.405 1171 I N 0.040 120.216 120.570 -0.657 0.000 2.179 1171 I HA -0.287 3.898 4.170 0.025 0.000 0.242 1171 I C 2.561 178.461 176.117 -0.362 0.000 1.088 1171 I CA 1.343 62.392 61.300 -0.419 0.000 1.357 1171 I CB -0.434 37.453 38.000 -0.188 0.000 1.051 1171 I HN 0.134 nan 8.210 nan 0.000 0.409 1172 S N 0.316 115.824 115.700 -0.321 0.000 2.419 1172 S HA -0.154 4.331 4.470 0.025 0.000 0.235 1172 S C 1.855 176.328 174.600 -0.210 0.000 1.019 1172 S CA 1.212 59.288 58.200 -0.206 0.000 0.982 1172 S CB -0.134 62.972 63.200 -0.157 0.000 0.789 1172 S HN 0.245 nan 8.310 nan 0.000 0.490 1173 K N 0.319 120.490 120.400 -0.382 0.000 2.361 1173 K HA 0.265 4.600 4.320 0.025 0.000 0.196 1173 K C -0.136 176.265 176.600 -0.330 0.000 1.039 1173 K CA -0.057 56.054 56.287 -0.294 0.000 1.001 1173 K CB -0.214 32.155 32.500 -0.218 0.000 0.795 1173 K HN 0.226 nan 8.250 nan 0.000 0.495 1174 F N 0.989 120.739 119.950 -0.334 0.000 2.459 1174 F HA 0.214 4.756 4.527 0.024 0.000 0.346 1174 F C 0.781 176.551 175.800 -0.050 0.000 1.128 1174 F CA -0.833 57.053 58.000 -0.190 0.000 1.268 1174 F CB 0.237 39.032 39.000 -0.342 0.000 1.161 1174 F HN -0.083 nan 8.300 nan 0.000 0.583 1175 N N 1.914 120.752 118.700 0.230 0.000 2.707 1175 N HA 0.142 4.896 4.740 0.025 0.000 0.249 1175 N C -1.667 173.694 175.510 -0.247 0.000 1.299 1175 N CA -0.242 52.825 53.050 0.028 0.000 0.769 1175 N CB 0.203 38.762 38.487 0.121 0.000 1.236 1175 N HN 0.663 nan 8.380 nan 0.000 0.524 1176 H N 1.672 120.466 119.070 -0.460 0.000 3.085 1176 H HA 0.117 4.687 4.556 0.025 0.000 0.356 1176 H C 0.185 175.334 175.328 -0.300 0.000 1.178 1176 H CA -0.318 55.396 56.048 -0.557 0.000 1.214 1176 H CB 1.744 30.845 29.762 -1.101 0.000 1.881 1176 H HN 0.469 nan 8.280 nan 0.000 0.538 1177 Q N 2.550 121.956 119.800 -0.657 0.000 2.364 1177 Q HA -0.070 4.285 4.340 0.025 0.000 0.207 1177 Q C -0.350 175.562 176.000 -0.146 0.000 0.970 1177 Q CA 1.104 56.703 55.803 -0.340 0.000 0.888 1177 Q CB 0.106 28.634 28.738 -0.350 0.000 0.951 1177 Q HN 0.420 nan 8.270 nan 0.000 0.469 1178 N N 0.463 119.200 118.700 0.062 0.000 2.320 1178 N HA 0.322 5.077 4.740 0.025 0.000 0.237 1178 N C -0.567 174.976 175.510 0.056 0.000 1.129 1178 N CA 0.085 53.200 53.050 0.108 0.000 0.854 1178 N CB 0.773 39.354 38.487 0.157 0.000 1.083 1178 N HN 0.265 nan 8.380 nan 0.000 0.504 1179 I N 0.832 121.415 120.570 0.022 0.000 2.533 1179 I HA 0.165 4.349 4.170 0.025 0.000 0.290 1179 I C 0.274 176.405 176.117 0.024 0.000 1.056 1179 I CA -1.255 60.053 61.300 0.013 0.000 1.057 1179 I CB 2.480 40.426 38.000 -0.089 0.000 1.240 1179 I HN -0.211 nan 8.210 nan 0.000 0.423 1180 V N 3.837 123.791 119.914 0.066 0.000 2.694 1180 V HA 0.251 4.386 4.120 0.025 0.000 0.306 1180 V C 0.399 176.511 176.094 0.030 0.000 1.054 1180 V CA -0.380 61.944 62.300 0.041 0.000 1.161 1180 V CB 0.019 31.875 31.823 0.056 0.000 0.916 1180 V HN 0.633 nan 8.190 nan 0.000 0.490 1181 R N 2.870 123.371 120.500 0.001 0.000 2.490 1181 R HA 0.419 4.773 4.340 0.025 0.000 0.278 1181 R C -0.231 176.060 176.300 -0.015 0.000 1.069 1181 R CA -0.389 55.704 56.100 -0.012 0.000 1.080 1181 R CB 1.062 31.349 30.300 -0.022 0.000 1.030 1181 R HN 0.990 nan 8.270 nan 0.000 0.491 1182 C N 4.216 123.497 119.300 -0.032 0.000 2.265 1182 C HA 0.378 4.853 4.460 0.025 0.000 0.332 1182 C C 1.941 176.912 174.990 -0.031 0.000 1.248 1182 C CA -0.615 58.379 59.018 -0.041 0.000 1.727 1182 C CB -1.163 26.531 27.740 -0.077 0.000 2.348 1182 C HN 0.883 nan 8.230 nan 0.000 0.519 1183 I N 4.564 125.123 120.570 -0.018 0.000 2.617 1183 I HA 0.251 4.436 4.170 0.025 0.000 0.256 1183 I C 1.568 177.683 176.117 -0.005 0.000 1.167 1183 I CA 1.490 62.784 61.300 -0.009 0.000 1.469 1183 I CB -0.233 37.765 38.000 -0.002 0.000 1.098 1183 I HN 0.960 nan 8.210 nan 0.000 0.436 1184 G N -0.021 108.776 108.800 -0.005 0.000 2.351 1184 G HA2 0.347 4.322 3.960 0.025 0.000 0.279 1184 G HA3 0.347 4.322 3.960 0.025 0.000 0.279 1184 G C -1.452 173.458 174.900 0.016 0.000 1.297 1184 G CA -0.096 45.005 45.100 0.002 0.000 0.886 1184 G HN 0.111 nan 8.290 nan 0.000 0.493 1185 V N -3.387 116.549 119.914 0.036 0.000 3.078 1185 V HA 0.932 5.067 4.120 0.025 0.000 0.311 1185 V C -0.268 175.886 176.094 0.101 0.000 1.138 1185 V CA -0.155 62.187 62.300 0.071 0.000 1.007 1185 V CB 1.712 33.558 31.823 0.037 0.000 1.045 1185 V HN 1.794 nan 8.190 nan 0.000 0.432 1186 S N 1.634 117.426 115.700 0.153 0.000 2.399 1186 S HA 0.562 5.047 4.470 0.025 0.000 0.215 1186 S C -0.136 174.483 174.600 0.032 0.000 1.456 1186 S CA -0.393 57.852 58.200 0.076 0.000 1.199 1186 S CB 0.497 63.742 63.200 0.074 0.000 1.063 1186 S HN 0.697 nan 8.310 nan 0.000 0.476 1187 L N 3.690 124.937 121.223 0.040 0.000 2.556 1187 L HA 0.393 4.748 4.340 0.025 0.000 0.226 1187 L C 2.039 178.908 176.870 -0.002 0.000 1.089 1187 L CA 1.232 56.104 54.840 0.052 0.000 0.864 1187 L CB -0.253 41.854 42.059 0.081 0.000 1.067 1187 L HN 0.622 nan 8.230 nan 0.000 0.477 1188 Q N -1.568 118.218 119.800 -0.024 0.000 2.403 1188 Q HA 0.168 4.522 4.340 0.025 0.000 0.203 1188 Q C 0.203 176.163 176.000 -0.067 0.000 0.932 1188 Q CA 0.066 55.849 55.803 -0.034 0.000 0.945 1188 Q CB 0.500 29.225 28.738 -0.022 0.000 1.045 1188 Q HN 0.225 nan 8.270 nan 0.000 0.511 1189 S N -0.048 115.583 115.700 -0.115 0.000 2.634 1189 S HA 0.554 5.038 4.470 0.025 0.000 0.296 1189 S C -1.353 173.117 174.600 -0.217 0.000 1.104 1189 S CA -0.650 57.453 58.200 -0.162 0.000 0.920 1189 S CB 1.537 64.619 63.200 -0.196 0.000 1.111 1189 S HN 0.004 nan 8.310 nan 0.000 0.493 1190 L N 3.338 124.439 121.223 -0.203 0.000 2.346 1190 L HA 0.603 4.958 4.340 0.025 0.000 0.276 1190 L C -2.098 174.636 176.870 -0.227 0.000 1.006 1190 L CA -1.919 52.802 54.840 -0.198 0.000 0.817 1190 L CB 0.971 42.957 42.059 -0.122 0.000 1.272 1190 L HN 0.434 nan 8.230 nan 0.000 0.421 1191 P HA 0.244 nan 4.420 nan 0.000 0.272 1191 P C -0.827 176.262 177.300 -0.352 0.000 1.223 1191 P CA -0.545 62.430 63.100 -0.208 0.000 0.784 1191 P CB 0.568 32.223 31.700 -0.074 0.000 0.923 1192 R N 1.186 121.545 120.500 -0.235 0.000 2.594 1192 R HA 0.409 4.763 4.340 0.025 0.000 0.272 1192 R C -0.262 176.186 176.300 0.246 0.000 1.074 1192 R CA -0.007 56.031 56.100 -0.104 0.000 1.105 1192 R CB 0.040 30.342 30.300 0.003 0.000 1.008 1192 R HN 0.356 nan 8.270 nan 0.000 0.472 1193 F N 1.665 121.761 119.950 0.244 0.000 2.532 1193 F HA 0.513 5.054 4.527 0.024 0.000 0.321 1193 F C 0.393 176.358 175.800 0.274 0.000 1.089 1193 F CA -1.743 56.420 58.000 0.271 0.000 0.926 1193 F CB 1.207 40.279 39.000 0.120 0.000 1.168 1193 F HN 0.260 nan 8.300 nan 0.000 0.459 1194 I N 4.268 125.072 120.570 0.389 0.000 2.404 1194 I HA 0.314 4.499 4.170 0.025 0.000 0.293 1194 I C -1.080 175.084 176.117 0.078 0.000 0.992 1194 I CA -0.822 60.527 61.300 0.082 0.000 1.149 1194 I CB 1.629 39.525 38.000 -0.173 0.000 1.315 1194 I HN 0.114 nan 8.210 nan 0.000 0.446 1195 L N 7.279 128.531 121.223 0.047 0.000 2.272 1195 L HA 0.579 4.934 4.340 0.025 0.000 0.289 1195 L C -0.240 176.631 176.870 0.002 0.000 1.032 1195 L CA -0.286 54.569 54.840 0.026 0.000 0.810 1195 L CB 0.936 43.017 42.059 0.038 0.000 1.205 1195 L HN 0.474 nan 8.230 nan 0.000 0.422 1196 L N 1.581 122.804 121.223 -0.000 0.000 2.354 1196 L HA 0.446 4.800 4.340 0.025 0.000 0.264 1196 L C 0.465 177.333 176.870 -0.004 0.000 1.008 1196 L CA -0.895 53.943 54.840 -0.003 0.000 0.819 1196 L CB 2.427 44.489 42.059 0.006 0.000 1.339 1196 L HN 0.571 nan 8.230 nan 0.000 0.420 1197 E N 1.661 121.857 120.200 -0.006 0.000 2.652 1197 E HA -0.064 4.301 4.350 0.025 0.000 0.255 1197 E C -0.831 175.763 176.600 -0.010 0.000 0.952 1197 E CA -0.362 56.032 56.400 -0.010 0.000 0.947 1197 E CB 0.690 30.382 29.700 -0.013 0.000 0.912 1197 E HN 0.312 nan 8.360 nan 0.000 0.489 1198 L N 5.853 127.069 121.223 -0.012 0.000 2.360 1198 L HA 0.130 4.485 4.340 0.025 0.000 0.276 1198 L C -0.524 176.334 176.870 -0.019 0.000 1.121 1198 L CA 0.408 55.240 54.840 -0.013 0.000 0.845 1198 L CB 0.896 42.949 42.059 -0.010 0.000 1.143 1198 L HN 0.622 nan 8.230 nan 0.000 0.452 1199 M N 6.036 125.623 119.600 -0.021 0.000 2.325 1199 M HA 0.289 4.784 4.480 0.025 0.000 0.305 1199 M C 0.953 177.235 176.300 -0.030 0.000 1.047 1199 M CA -0.274 55.006 55.300 -0.032 0.000 0.981 1199 M CB 0.495 33.074 32.600 -0.035 0.000 1.307 1199 M HN 0.782 nan 8.290 nan 0.000 0.418 1200 A N 1.343 124.147 122.820 -0.026 0.000 2.125 1200 A HA 0.063 4.397 4.320 0.025 0.000 0.219 1200 A C 1.908 179.487 177.584 -0.008 0.000 1.156 1200 A CA 1.892 53.921 52.037 -0.014 0.000 0.671 1200 A CB -0.542 18.453 19.000 -0.009 0.000 0.794 1200 A HN 0.823 nan 8.150 nan 0.000 0.459 1201 G N -1.350 107.429 108.800 -0.035 0.000 2.572 1201 G HA2 0.390 4.364 3.960 0.025 0.000 0.216 1201 G HA3 0.390 4.364 3.960 0.025 0.000 0.216 1201 G C 1.094 175.996 174.900 0.004 0.000 1.133 1201 G CA 0.628 45.704 45.100 -0.039 0.000 0.791 1201 G HN 1.609 nan 8.290 nan 0.000 0.538 1202 G N 0.595 109.388 108.800 -0.011 0.000 2.642 1202 G HA2 -0.195 3.780 3.960 0.025 0.000 0.231 1202 G HA3 -0.195 3.780 3.960 0.025 0.000 0.231 1202 G C -0.217 174.682 174.900 -0.003 0.000 1.338 1202 G CA -0.036 45.067 45.100 0.004 0.000 0.883 1202 G HN 0.789 nan 8.290 nan 0.000 0.570 1203 D N -0.047 120.361 120.400 0.014 0.000 2.339 1203 D HA 0.307 4.962 4.640 0.025 0.000 0.245 1203 D C 1.674 178.010 176.300 0.058 0.000 1.115 1203 D CA -0.179 53.828 54.000 0.012 0.000 0.917 1203 D CB 1.675 42.476 40.800 0.001 0.000 1.192 1203 D HN 0.608 nan 8.370 nan 0.000 0.428 1204 L N 2.211 123.458 121.223 0.041 0.000 2.046 1204 L HA -0.155 4.200 4.340 0.025 0.000 0.208 1204 L C 2.434 179.396 176.870 0.153 0.000 1.077 1204 L CA 1.759 56.650 54.840 0.086 0.000 0.747 1204 L CB -0.822 41.260 42.059 0.038 0.000 0.896 1204 L HN 0.580 nan 8.230 nan 0.000 0.432 1205 K N -1.173 119.293 120.400 0.111 0.000 2.009 1205 K HA -0.208 4.127 4.320 0.025 0.000 0.210 1205 K C 2.350 179.005 176.600 0.093 0.000 1.049 1205 K CA 1.732 58.087 56.287 0.113 0.000 0.929 1205 K CB -0.357 32.207 32.500 0.107 0.000 0.714 1205 K HN 0.417 nan 8.250 nan 0.000 0.440 1206 S N -0.057 115.691 115.700 0.080 0.000 2.382 1206 S HA -0.165 4.319 4.470 0.025 0.000 0.228 1206 S C 1.745 176.388 174.600 0.071 0.000 1.027 1206 S CA 1.155 59.387 58.200 0.054 0.000 0.991 1206 S CB -0.446 62.777 63.200 0.039 0.000 0.823 1206 S HN 0.443 nan 8.310 nan 0.000 0.469 1207 F N 1.869 121.808 119.950 -0.018 0.000 2.095 1207 F HA -0.050 4.491 4.527 0.023 0.000 0.298 1207 F C 1.783 177.568 175.800 -0.026 0.000 1.104 1207 F CA 1.587 59.574 58.000 -0.022 0.000 1.232 1207 F CB -0.298 38.689 39.000 -0.022 0.000 0.987 1207 F HN 0.191 nan 8.300 nan 0.000 0.475 1208 L N 0.039 121.278 121.223 0.027 0.000 2.046 1208 L HA -0.186 4.169 4.340 0.025 0.000 0.208 1208 L C 2.662 179.445 176.870 -0.145 0.000 1.077 1208 L CA 1.399 56.190 54.840 -0.082 0.000 0.747 1208 L CB -0.651 41.437 42.059 0.048 0.000 0.896 1208 L HN 0.060 nan 8.230 nan 0.000 0.432 1209 R N 0.097 120.543 120.500 -0.090 0.000 2.073 1209 R HA -0.159 4.196 4.340 0.025 0.000 0.234 1209 R C 2.109 178.326 176.300 -0.138 0.000 1.134 1209 R CA 1.497 57.536 56.100 -0.101 0.000 0.952 1209 R CB -0.295 29.963 30.300 -0.070 0.000 0.850 1209 R HN 0.418 nan 8.270 nan 0.000 0.433 1210 E N -0.477 119.628 120.200 -0.159 0.000 2.347 1210 E HA -0.054 4.311 4.350 0.025 0.000 0.196 1210 E C 0.643 177.099 176.600 -0.239 0.000 1.008 1210 E CA 1.028 57.329 56.400 -0.165 0.000 0.852 1210 E CB 0.358 29.985 29.700 -0.122 0.000 0.783 1210 E HN 0.254 nan 8.360 nan 0.000 0.505 1211 T N 0.247 114.570 114.554 -0.385 0.000 3.174 1211 T HA 0.175 4.539 4.350 0.025 0.000 0.269 1211 T C 0.243 174.766 174.700 -0.296 0.000 1.017 1211 T CA -0.363 61.473 62.100 -0.439 0.000 0.899 1211 T CB 0.234 68.560 68.868 -0.904 0.000 1.077 1211 T HN -0.052 nan 8.240 nan 0.000 0.552 1212 R N 3.359 123.733 120.500 -0.211 0.000 2.504 1212 R HA 0.087 4.442 4.340 0.025 0.000 0.291 1212 R C -2.424 173.812 176.300 -0.106 0.000 0.974 1212 R CA -1.034 54.986 56.100 -0.133 0.000 1.077 1212 R CB -0.055 30.189 30.300 -0.094 0.000 0.926 1212 R HN 0.175 nan 8.270 nan 0.000 0.407 1213 P HA 0.033 nan 4.420 nan 0.000 0.263 1213 P C -0.740 176.531 177.300 -0.050 0.000 1.195 1213 P CA 0.199 63.261 63.100 -0.064 0.000 0.762 1213 P CB 0.836 32.504 31.700 -0.053 0.000 0.799 1214 R N 5.184 125.657 120.500 -0.046 0.000 2.633 1214 R HA 0.284 4.638 4.340 0.025 0.000 0.256 1214 R C -2.128 174.153 176.300 -0.032 0.000 1.131 1214 R CA -1.911 54.168 56.100 -0.036 0.000 0.994 1214 R CB 0.204 30.481 30.300 -0.038 0.000 1.261 1214 R HN 0.109 nan 8.270 nan 0.000 0.446 1215 P HA -0.378 nan 4.420 nan 0.000 0.238 1215 P C 0.701 177.987 177.300 -0.022 0.000 1.108 1215 P CA 2.752 65.839 63.100 -0.022 0.000 0.992 1215 P CB -0.023 31.666 31.700 -0.018 0.000 0.748 1216 S N -2.825 112.861 115.700 -0.025 0.000 2.507 1216 S HA -0.099 4.386 4.470 0.025 0.000 0.235 1216 S C 1.168 175.751 174.600 -0.028 0.000 0.988 1216 S CA 0.673 58.858 58.200 -0.024 0.000 0.944 1216 S CB -0.429 62.756 63.200 -0.025 0.000 0.762 1216 S HN 0.298 nan 8.310 nan 0.000 0.526 1217 Q N 0.687 120.467 119.800 -0.033 0.000 3.316 1217 Q HA 0.257 4.612 4.340 0.025 0.000 0.295 1217 Q C -2.285 173.691 176.000 -0.039 0.000 0.805 1217 Q CA -1.472 54.307 55.803 -0.039 0.000 0.914 1217 Q CB 1.512 30.218 28.738 -0.053 0.000 1.514 1217 Q HN 0.283 nan 8.270 nan 0.000 0.387 1218 P HA -0.090 nan 4.420 nan 0.000 0.218 1218 P C 0.684 177.966 177.300 -0.031 0.000 1.149 1218 P CA 0.987 64.070 63.100 -0.029 0.000 0.817 1218 P CB 0.423 32.110 31.700 -0.022 0.000 0.785 1219 S N -0.727 114.956 115.700 -0.029 0.000 2.558 1219 S HA 0.210 4.695 4.470 0.025 0.000 0.238 1219 S C 1.241 175.825 174.600 -0.028 0.000 1.183 1219 S CA -0.149 58.035 58.200 -0.027 0.000 1.185 1219 S CB -0.893 62.295 63.200 -0.019 0.000 1.003 1219 S HN 0.101 nan 8.310 nan 0.000 0.478 1220 S N 0.767 116.442 115.700 -0.041 0.000 2.474 1220 S HA 0.190 4.675 4.470 0.025 0.000 0.235 1220 S C 0.248 174.825 174.600 -0.039 0.000 0.997 1220 S CA 0.219 58.391 58.200 -0.047 0.000 0.949 1220 S CB -0.185 62.964 63.200 -0.084 0.000 0.766 1220 S HN 0.470 nan 8.310 nan 0.000 0.517 1221 L N -0.078 121.120 121.223 -0.042 0.000 2.545 1221 L HA 0.765 5.119 4.340 0.025 0.000 0.258 1221 L C -0.734 176.112 176.870 -0.039 0.000 0.942 1221 L CA -0.342 54.480 54.840 -0.030 0.000 0.855 1221 L CB 1.569 43.591 42.059 -0.060 0.000 1.374 1221 L HN 0.186 nan 8.230 nan 0.000 0.411 1222 A N 2.334 125.131 122.820 -0.038 0.000 2.437 1222 A HA 0.673 5.008 4.320 0.025 0.000 0.292 1222 A C 0.544 178.088 177.584 -0.067 0.000 1.173 1222 A CA -0.356 51.654 52.037 -0.046 0.000 0.785 1222 A CB 1.194 20.171 19.000 -0.038 0.000 1.351 1222 A HN 0.786 nan 8.150 nan 0.000 0.431 1223 M N -0.268 119.303 119.600 -0.048 0.000 2.108 1223 M HA -0.108 4.386 4.480 0.025 0.000 0.261 1223 M C 1.609 177.873 176.300 -0.060 0.000 1.066 1223 M CA 1.788 57.073 55.300 -0.024 0.000 1.107 1223 M CB -0.923 31.699 32.600 0.036 0.000 1.356 1223 M HN 0.735 nan 8.290 nan 0.000 0.406 1224 L N 0.030 121.188 121.223 -0.108 0.000 2.083 1224 L HA -0.215 4.140 4.340 0.025 0.000 0.209 1224 L C 1.795 178.467 176.870 -0.330 0.000 1.083 1224 L CA 1.928 56.619 54.840 -0.248 0.000 0.752 1224 L CB -0.900 40.994 42.059 -0.275 0.000 0.899 1224 L HN 0.342 nan 8.230 nan 0.000 0.433 1225 D N -0.471 119.826 120.400 -0.172 0.000 2.123 1225 D HA -0.229 4.426 4.640 0.025 0.000 0.196 1225 D C 2.238 178.491 176.300 -0.078 0.000 0.992 1225 D CA 1.805 55.759 54.000 -0.077 0.000 0.833 1225 D CB -0.121 40.678 40.800 -0.003 0.000 0.954 1225 D HN 0.405 nan 8.370 nan 0.000 0.455 1226 L N 0.366 121.484 121.223 -0.175 0.000 2.056 1226 L HA -0.100 4.254 4.340 0.025 0.000 0.207 1226 L C 2.678 179.432 176.870 -0.192 0.000 1.078 1226 L CA 0.514 55.147 54.840 -0.345 0.000 0.749 1226 L CB -0.386 41.171 42.059 -0.836 0.000 0.901 1226 L HN 0.006 nan 8.230 nan 0.000 0.433 1227 L N -1.029 120.183 121.223 -0.018 0.000 2.141 1227 L HA -0.216 4.138 4.340 0.025 0.000 0.209 1227 L C 2.518 179.518 176.870 0.216 0.000 1.094 1227 L CA 1.237 56.192 54.840 0.191 0.000 0.763 1227 L CB -0.598 41.556 42.059 0.158 0.000 0.908 1227 L HN 0.333 nan 8.230 nan 0.000 0.437 1228 H N -1.616 117.492 119.070 0.063 0.000 2.357 1228 H HA -0.131 4.440 4.556 0.024 0.000 0.301 1228 H C 2.365 177.719 175.328 0.044 0.000 1.082 1228 H CA 0.966 57.044 56.048 0.050 0.000 1.342 1228 H CB 0.231 30.007 29.762 0.023 0.000 1.389 1228 H HN 0.056 nan 8.280 nan 0.000 0.511 1229 V N 1.089 121.087 119.914 0.140 0.000 2.332 1229 V HA -0.312 3.823 4.120 0.025 0.000 0.248 1229 V C 2.660 178.834 176.094 0.133 0.000 1.055 1229 V CA 1.732 64.077 62.300 0.074 0.000 1.038 1229 V CB -0.819 31.008 31.823 0.007 0.000 0.651 1229 V HN 0.535 nan 8.190 nan 0.000 0.450 1230 A N -0.049 122.880 122.820 0.182 0.000 1.877 1230 A HA -0.253 4.081 4.320 0.025 0.000 0.216 1230 A C 2.439 180.258 177.584 0.392 0.000 1.186 1230 A CA 2.016 54.241 52.037 0.314 0.000 0.620 1230 A CB -0.600 18.626 19.000 0.377 0.000 0.822 1230 A HN 0.480 nan 8.150 nan 0.000 0.443 1231 R N -0.267 120.404 120.500 0.285 0.000 2.073 1231 R HA -0.188 4.167 4.340 0.025 0.000 0.234 1231 R C 1.449 177.837 176.300 0.147 0.000 1.134 1231 R CA 1.994 58.221 56.100 0.212 0.000 0.952 1231 R CB -0.571 29.840 30.300 0.185 0.000 0.850 1231 R HN 0.437 nan 8.270 nan 0.000 0.433 1232 D N 0.820 121.294 120.400 0.123 0.000 2.126 1232 D HA -0.202 4.452 4.640 0.025 0.000 0.190 1232 D C 1.931 178.280 176.300 0.082 0.000 1.001 1232 D CA 1.414 55.461 54.000 0.078 0.000 0.841 1232 D CB -0.208 40.620 40.800 0.045 0.000 0.949 1232 D HN 0.231 nan 8.370 nan 0.000 0.446 1233 I N 0.924 121.574 120.570 0.133 0.000 2.252 1233 I HA -0.125 4.059 4.170 0.025 0.000 0.245 1233 I C 2.466 178.608 176.117 0.042 0.000 1.102 1233 I CA 0.577 61.955 61.300 0.129 0.000 1.385 1233 I CB -1.449 36.694 38.000 0.238 0.000 1.064 1233 I HN -0.113 nan 8.210 nan 0.000 0.414 1234 A N -0.141 122.721 122.820 0.069 0.000 1.940 1234 A HA -0.284 4.051 4.320 0.025 0.000 0.219 1234 A C 2.648 180.103 177.584 -0.214 0.000 1.176 1234 A CA 1.922 53.791 52.037 -0.280 0.000 0.631 1234 A CB -1.307 17.579 19.000 -0.190 0.000 0.814 1234 A HN 0.526 nan 8.150 nan 0.000 0.446 1235 C N -0.922 118.337 119.300 -0.068 0.000 2.446 1235 C HA 0.051 4.525 4.460 0.025 0.000 0.277 1235 C C 2.990 177.848 174.990 -0.219 0.000 1.275 1235 C CA 1.016 60.013 59.018 -0.035 0.000 1.727 1235 C CB -1.543 26.271 27.740 0.122 0.000 2.010 1235 C HN 0.647 nan 8.230 nan 0.000 0.486 1236 G N -0.800 107.874 108.800 -0.210 0.000 2.440 1236 G HA2 -0.266 3.708 3.960 0.025 0.000 0.218 1236 G HA3 -0.266 3.708 3.960 0.025 0.000 0.218 1236 G C 1.678 176.364 174.900 -0.357 0.000 1.154 1236 G CA 1.412 46.317 45.100 -0.325 0.000 0.767 1236 G HN 0.601 nan 8.290 nan 0.000 0.552 1237 C N -0.159 118.849 119.300 -0.487 0.000 2.440 1237 C HA -0.002 4.473 4.460 0.025 0.000 0.278 1237 C C 2.768 177.316 174.990 -0.736 0.000 1.295 1237 C CA 1.079 59.601 59.018 -0.827 0.000 1.738 1237 C CB -0.740 25.965 27.740 -1.724 0.000 1.987 1237 C HN 0.626 nan 8.230 nan 0.000 0.492 1238 Q N -0.560 118.941 119.800 -0.497 0.000 2.124 1238 Q HA -0.247 4.108 4.340 0.025 0.000 0.202 1238 Q C 2.058 177.989 176.000 -0.116 0.000 0.977 1238 Q CA 1.791 57.501 55.803 -0.155 0.000 0.850 1238 Q CB -0.338 28.378 28.738 -0.035 0.000 0.901 1238 Q HN 0.824 nan 8.270 nan 0.000 0.429 1239 Y N 0.756 120.863 120.300 -0.322 0.000 2.145 1239 Y HA -0.218 4.346 4.550 0.024 0.000 0.286 1239 Y C 1.794 177.622 175.900 -0.121 0.000 1.145 1239 Y CA 1.611 59.546 58.100 -0.274 0.000 1.148 1239 Y CB -0.187 37.915 38.460 -0.597 0.000 0.981 1239 Y HN 0.083 nan 8.280 nan 0.000 0.507 1240 L N 0.340 121.469 121.223 -0.157 0.000 2.012 1240 L HA -0.240 4.114 4.340 0.025 0.000 0.210 1240 L C 2.621 179.505 176.870 0.024 0.000 1.073 1240 L CA 2.012 56.834 54.840 -0.031 0.000 0.748 1240 L CB -0.773 41.346 42.059 0.100 0.000 0.891 1240 L HN 0.345 nan 8.230 nan 0.000 0.431 1241 E N 0.653 120.847 120.200 -0.010 0.000 2.038 1241 E HA -0.274 4.091 4.350 0.025 0.000 0.195 1241 E C 1.963 178.493 176.600 -0.117 0.000 1.000 1241 E CA 1.747 58.174 56.400 0.045 0.000 0.803 1241 E CB 0.012 29.808 29.700 0.160 0.000 0.750 1241 E HN 0.525 nan 8.360 nan 0.000 0.448 1242 E N -0.196 119.890 120.200 -0.190 0.000 2.204 1242 E HA -0.144 4.220 4.350 0.025 0.000 0.195 1242 E C 1.044 177.291 176.600 -0.590 0.000 0.990 1242 E CA 0.971 57.188 56.400 -0.305 0.000 0.821 1242 E CB -0.093 29.495 29.700 -0.187 0.000 0.750 1242 E HN 0.296 nan 8.360 nan 0.000 0.477 1243 N N 0.013 118.419 118.700 -0.490 0.000 2.251 1243 N HA 0.021 4.776 4.740 0.025 0.000 0.217 1243 N C -0.906 174.512 175.510 -0.154 0.000 1.124 1243 N CA -0.030 52.754 53.050 -0.443 0.000 0.843 1243 N CB 0.403 38.644 38.487 -0.409 0.000 1.024 1243 N HN 0.134 nan 8.380 nan 0.000 0.501 1244 H N -1.145 117.981 119.070 0.093 0.000 2.791 1244 H HA -0.229 4.341 4.556 0.024 0.000 0.302 1244 H C -0.849 174.637 175.328 0.264 0.000 1.198 1244 H CA 0.629 56.760 56.048 0.139 0.000 1.145 1244 H CB -2.098 27.703 29.762 0.066 0.000 1.385 1244 H HN 0.301 nan 8.280 nan 0.000 0.409 1245 F N 1.114 121.214 119.950 0.250 0.000 2.426 1245 F HA 0.499 5.040 4.527 0.024 0.000 0.348 1245 F C 0.031 175.996 175.800 0.276 0.000 1.124 1245 F CA -1.065 57.133 58.000 0.329 0.000 1.008 1245 F CB 0.721 40.006 39.000 0.476 0.000 1.139 1245 F HN 0.032 nan 8.300 nan 0.000 0.452 1246 I N 6.762 127.315 120.570 -0.029 0.000 2.304 1246 I HA 0.114 4.299 4.170 0.025 0.000 0.291 1246 I C 1.245 177.425 176.117 0.104 0.000 1.018 1246 I CA -0.374 61.000 61.300 0.124 0.000 1.260 1246 I CB 1.107 39.177 38.000 0.118 0.000 1.390 1246 I HN 0.716 nan 8.210 nan 0.000 0.475 1247 H N 7.443 126.684 119.070 0.285 0.000 2.357 1247 H HA -0.032 4.537 4.556 0.023 0.000 0.301 1247 H C 1.140 176.557 175.328 0.148 0.000 1.082 1247 H CA 1.836 58.072 56.048 0.313 0.000 1.342 1247 H CB 0.423 30.317 29.762 0.219 0.000 1.389 1247 H HN 0.661 nan 8.280 nan 0.000 0.511 1248 R N -0.917 119.768 120.500 0.308 0.000 3.749 1248 R HA -0.171 4.183 4.340 0.025 0.000 0.476 1248 R C -0.456 176.003 176.300 0.265 0.000 0.814 1248 R CA 1.298 57.539 56.100 0.235 0.000 1.494 1248 R CB -1.410 28.854 30.300 -0.061 0.000 2.164 1248 R HN 0.320 nan 8.270 nan 0.000 0.473 1249 D N 0.325 120.974 120.400 0.415 0.000 3.060 1249 D HA 0.176 4.830 4.640 0.025 0.000 0.326 1249 D C -0.640 175.764 176.300 0.173 0.000 1.253 1249 D CA -0.312 53.834 54.000 0.242 0.000 0.737 1249 D CB 0.299 41.118 40.800 0.032 0.000 1.260 1249 D HN 0.047 nan 8.370 nan 0.000 0.542 1250 I N 2.119 122.785 120.570 0.159 0.000 2.471 1250 I HA 0.401 4.585 4.170 0.025 0.000 0.294 1250 I C 0.553 176.704 176.117 0.057 0.000 1.123 1250 I CA 0.017 61.307 61.300 -0.017 0.000 1.336 1250 I CB -0.584 37.513 38.000 0.163 0.000 1.430 1250 I HN 0.226 nan 8.210 nan 0.000 0.533 1251 A N 4.984 127.731 122.820 -0.121 0.000 2.572 1251 A HA 0.738 5.073 4.320 0.025 0.000 0.295 1251 A C 0.709 178.269 177.584 -0.041 0.000 1.072 1251 A CA -0.050 51.890 52.037 -0.161 0.000 0.691 1251 A CB 1.156 19.634 19.000 -0.871 0.000 1.291 1251 A HN 0.617 nan 8.150 nan 0.000 0.404 1252 A N 0.944 123.830 122.820 0.109 0.000 1.940 1252 A HA -0.178 4.157 4.320 0.025 0.000 0.219 1252 A C 1.961 179.560 177.584 0.025 0.000 1.176 1252 A CA 2.036 54.129 52.037 0.092 0.000 0.631 1252 A CB -0.622 18.482 19.000 0.174 0.000 0.814 1252 A HN 1.052 nan 8.150 nan 0.000 0.446 1253 R N -0.833 119.659 120.500 -0.013 0.000 2.241 1253 R HA -0.042 4.313 4.340 0.025 0.000 0.224 1253 R C 0.573 176.835 176.300 -0.062 0.000 1.101 1253 R CA 1.591 57.668 56.100 -0.038 0.000 0.995 1253 R CB -0.424 29.831 30.300 -0.075 0.000 0.870 1253 R HN 0.368 nan 8.270 nan 0.000 0.463 1254 N N -0.164 118.480 118.700 -0.092 0.000 2.236 1254 N HA 0.107 4.862 4.740 0.025 0.000 0.196 1254 N C -0.586 174.858 175.510 -0.110 0.000 1.114 1254 N CA -0.012 52.978 53.050 -0.101 0.000 0.859 1254 N CB 0.522 38.938 38.487 -0.118 0.000 0.982 1254 N HN 0.149 nan 8.380 nan 0.000 0.493 1255 C N 0.757 120.010 119.300 -0.079 0.000 2.399 1255 C HA 0.673 5.148 4.460 0.025 0.000 0.348 1255 C C 0.296 175.257 174.990 -0.049 0.000 1.183 1255 C CA -0.806 58.171 59.018 -0.070 0.000 2.023 1255 C CB 0.888 28.599 27.740 -0.049 0.000 2.361 1255 C HN 0.154 nan 8.230 nan 0.000 0.521 1256 L N 1.327 122.516 121.223 -0.056 0.000 2.376 1256 L HA 0.698 5.053 4.340 0.025 0.000 0.258 1256 L C -1.026 175.787 176.870 -0.095 0.000 1.013 1256 L CA -0.516 54.288 54.840 -0.060 0.000 0.822 1256 L CB 1.416 43.451 42.059 -0.041 0.000 1.388 1256 L HN 0.452 nan 8.230 nan 0.000 0.413 1257 L N -0.075 121.071 121.223 -0.129 0.000 2.346 1257 L HA 0.406 4.761 4.340 0.025 0.000 0.276 1257 L C 1.113 177.903 176.870 -0.134 0.000 1.006 1257 L CA -0.440 54.286 54.840 -0.190 0.000 0.817 1257 L CB 2.110 43.938 42.059 -0.384 0.000 1.272 1257 L HN 0.799 nan 8.230 nan 0.000 0.421 1258 T N -2.444 112.040 114.554 -0.117 0.000 2.833 1258 T HA -0.066 4.299 4.350 0.025 0.000 0.269 1258 T C 0.596 175.253 174.700 -0.071 0.000 1.054 1258 T CA 0.673 62.725 62.100 -0.079 0.000 1.135 1258 T CB -0.382 68.445 68.868 -0.068 0.000 0.869 1258 T HN 0.717 nan 8.240 nan 0.000 0.466 1259 C N -1.427 117.816 119.300 -0.094 0.000 3.311 1259 C HA 0.665 5.139 4.460 0.025 0.000 0.325 1259 C C -2.274 172.670 174.990 -0.076 0.000 1.352 1259 C CA -1.479 57.504 59.018 -0.058 0.000 1.308 1259 C CB 1.401 29.122 27.740 -0.033 0.000 1.619 1259 C HN 0.012 nan 8.230 nan 0.000 0.469 1260 P HA 0.146 nan 4.420 nan 0.000 0.221 1260 P C 0.905 178.317 177.300 0.186 0.000 1.155 1260 P CA 1.641 64.845 63.100 0.173 0.000 0.812 1260 P CB -0.023 31.802 31.700 0.210 0.000 0.801 1261 G N 0.886 109.739 108.800 0.088 0.000 2.535 1261 G HA2 0.387 4.362 3.960 0.025 0.000 0.282 1261 G HA3 0.387 4.362 3.960 0.025 0.000 0.282 1261 G C -2.586 172.344 174.900 0.050 0.000 1.350 1261 G CA -1.310 43.836 45.100 0.077 0.000 1.039 1261 G HN 0.005 nan 8.290 nan 0.000 0.509 1262 P HA 0.235 nan 4.420 nan 0.000 0.266 1262 P C 0.811 178.122 177.300 0.020 0.000 1.195 1262 P CA 1.461 64.584 63.100 0.039 0.000 0.768 1262 P CB 0.958 32.679 31.700 0.036 0.000 0.838 1263 G N 1.664 110.476 108.800 0.019 0.000 2.195 1263 G HA2 -0.243 3.732 3.960 0.025 0.000 0.246 1263 G HA3 -0.243 3.732 3.960 0.025 0.000 0.246 1263 G C 0.251 175.134 174.900 -0.028 0.000 0.984 1263 G CA 0.032 45.129 45.100 -0.004 0.000 0.633 1263 G HN 0.824 nan 8.290 nan 0.000 0.525 1264 R N -0.011 120.466 120.500 -0.039 0.000 2.640 1264 R HA 0.441 4.796 4.340 0.025 0.000 0.270 1264 R C -0.597 175.653 176.300 -0.084 0.000 1.024 1264 R CA 0.172 56.219 56.100 -0.088 0.000 1.085 1264 R CB 0.791 30.991 30.300 -0.167 0.000 0.963 1264 R HN 0.284 nan 8.270 nan 0.000 0.426 1265 V N 2.117 121.974 119.914 -0.095 0.000 2.540 1265 V HA 0.526 4.661 4.120 0.025 0.000 0.302 1265 V C 0.074 176.114 176.094 -0.090 0.000 1.035 1265 V CA -0.846 61.406 62.300 -0.079 0.000 0.873 1265 V CB 1.561 33.343 31.823 -0.070 0.000 0.992 1265 V HN 1.006 nan 8.190 nan 0.000 0.428 1266 A N 5.256 128.034 122.820 -0.071 0.000 2.327 1266 A HA 0.823 5.158 4.320 0.025 0.000 0.283 1266 A C -0.148 177.414 177.584 -0.037 0.000 1.127 1266 A CA -0.426 51.572 52.037 -0.066 0.000 0.810 1266 A CB 0.561 19.535 19.000 -0.043 0.000 1.066 1266 A HN 0.843 nan 8.150 nan 0.000 0.492 1267 K N 1.706 122.081 120.400 -0.043 0.000 2.502 1267 K HA 0.475 4.809 4.320 0.025 0.000 0.257 1267 K C -1.336 175.235 176.600 -0.047 0.000 0.938 1267 K CA -0.576 55.693 56.287 -0.030 0.000 0.819 1267 K CB 2.244 34.731 32.500 -0.022 0.000 1.333 1267 K HN 0.638 nan 8.250 nan 0.000 0.434 1268 I N 1.599 122.132 120.570 -0.061 0.000 2.471 1268 I HA 0.070 4.254 4.170 0.025 0.000 0.286 1268 I C 1.072 177.161 176.117 -0.046 0.000 1.079 1268 I CA 0.369 61.582 61.300 -0.146 0.000 1.398 1268 I CB 0.921 38.763 38.000 -0.263 0.000 1.403 1268 I HN 0.977 nan 8.210 nan 0.000 0.530 1269 G N 4.166 112.913 108.800 -0.087 0.000 2.780 1269 G HA2 -0.029 3.946 3.960 0.025 0.000 0.198 1269 G HA3 -0.029 3.946 3.960 0.025 0.000 0.198 1269 G C 0.172 175.111 174.900 0.065 0.000 1.067 1269 G CA 0.043 45.166 45.100 0.038 0.000 0.765 1269 G HN 0.542 nan 8.290 nan 0.000 0.581 1270 D N -0.087 120.262 120.400 -0.085 0.000 2.373 1270 D HA 0.382 5.037 4.640 0.025 0.000 0.227 1270 D C -0.702 175.511 176.300 -0.144 0.000 1.091 1270 D CA -0.795 53.193 54.000 -0.020 0.000 0.840 1270 D CB 0.929 41.719 40.800 -0.016 0.000 1.060 1270 D HN 0.062 nan 8.370 nan 0.000 0.502 1271 F N 1.406 121.391 119.950 0.057 0.000 2.708 1271 F HA 0.275 4.818 4.527 0.027 0.000 0.300 1271 F C 2.107 177.871 175.800 -0.059 0.000 1.118 1271 F CA -0.575 57.414 58.000 -0.019 0.000 1.307 1271 F CB 0.974 40.022 39.000 0.079 0.000 0.986 1271 F HN 0.507 nan 8.300 nan 0.000 0.522 1272 G N 0.435 109.274 108.800 0.065 0.000 2.442 1272 G HA2 -0.328 3.647 3.960 0.025 0.000 0.219 1272 G HA3 -0.328 3.647 3.960 0.025 0.000 0.219 1272 G C 1.663 176.553 174.900 -0.017 0.000 1.141 1272 G CA 1.075 46.203 45.100 0.047 0.000 0.763 1272 G HN 0.273 nan 8.290 nan 0.000 0.554 1273 M N 1.495 121.022 119.600 -0.122 0.000 2.077 1273 M HA 0.251 4.746 4.480 0.025 0.000 0.261 1273 M C 2.724 178.924 176.300 -0.168 0.000 1.070 1273 M CA 1.712 56.878 55.300 -0.224 0.000 1.125 1273 M CB -0.594 31.825 32.600 -0.301 0.000 1.339 1273 M HN 0.201 nan 8.290 nan 0.000 0.409 1274 A N 0.337 123.078 122.820 -0.132 0.000 1.940 1274 A HA -0.203 4.132 4.320 0.025 0.000 0.219 1274 A C 2.366 179.970 177.584 0.033 0.000 1.176 1274 A CA 1.912 53.911 52.037 -0.063 0.000 0.631 1274 A CB -0.872 18.165 19.000 0.063 0.000 0.814 1274 A HN 0.565 nan 8.150 nan 0.000 0.446 1275 R N 0.165 120.705 120.500 0.066 0.000 2.083 1275 R HA -0.171 4.183 4.340 0.025 0.000 0.237 1275 R C 1.330 177.669 176.300 0.064 0.000 1.137 1275 R CA 2.147 58.283 56.100 0.060 0.000 0.951 1275 R CB -0.758 29.561 30.300 0.032 0.000 0.851 1275 R HN 0.493 nan 8.270 nan 0.000 0.434 1276 D N 0.721 121.134 120.400 0.020 0.000 2.104 1276 D HA -0.156 4.499 4.640 0.025 0.000 0.194 1276 D C 1.999 178.275 176.300 -0.041 0.000 0.994 1276 D CA 1.092 55.091 54.000 -0.003 0.000 0.830 1276 D CB -0.184 40.639 40.800 0.039 0.000 0.959 1276 D HN 0.212 nan 8.370 nan 0.000 0.452 1277 I N 0.124 120.664 120.570 -0.050 0.000 2.226 1277 I HA -0.253 3.932 4.170 0.025 0.000 0.245 1277 I C 2.343 178.454 176.117 -0.010 0.000 1.100 1277 I CA 0.885 62.145 61.300 -0.067 0.000 1.374 1277 I CB -1.314 36.601 38.000 -0.141 0.000 1.057 1277 I HN 0.059 nan 8.210 nan 0.000 0.413 1278 Y N 2.035 122.302 120.300 -0.055 0.000 2.224 1278 Y HA -0.190 4.374 4.550 0.024 0.000 0.289 1278 Y C 2.816 178.721 175.900 0.009 0.000 1.146 1278 Y CA 1.734 59.835 58.100 0.003 0.000 1.182 1278 Y CB -0.070 38.429 38.460 0.066 0.000 0.983 1278 Y HN 0.029 nan 8.280 nan 0.000 0.524 1279 R N -1.181 119.379 120.500 0.099 0.000 2.090 1279 R HA 0.133 4.487 4.340 0.025 0.000 0.219 1279 R C 1.969 178.235 176.300 -0.057 0.000 1.100 1279 R CA 1.031 57.152 56.100 0.035 0.000 0.991 1279 R CB -0.138 30.198 30.300 0.061 0.000 0.893 1279 R HN 0.328 nan 8.270 nan 0.000 0.443 1280 A N -1.007 121.750 122.820 -0.106 0.000 2.287 1280 A HA 0.341 4.676 4.320 0.025 0.000 0.214 1280 A C 1.304 178.838 177.584 -0.084 0.000 1.228 1280 A CA 0.699 52.632 52.037 -0.174 0.000 0.939 1280 A CB 0.727 19.469 19.000 -0.431 0.000 0.992 1280 A HN 0.379 nan 8.150 nan 0.000 0.502 1281 G N -1.607 107.161 108.800 -0.054 0.000 2.205 1281 G HA2 -0.278 3.697 3.960 0.025 0.000 0.261 1281 G HA3 -0.278 3.697 3.960 0.025 0.000 0.261 1281 G C 0.101 175.093 174.900 0.153 0.000 0.980 1281 G CA 1.041 46.170 45.100 0.048 0.000 0.632 1281 G HN 1.866 nan 8.290 nan 0.000 0.533 1282 Y N -3.260 117.040 120.300 0.001 0.000 2.656 1282 Y HA 0.657 5.220 4.550 0.022 0.000 0.334 1282 Y C -0.505 175.457 175.900 0.104 0.000 1.179 1282 Y CA -2.911 55.208 58.100 0.032 0.000 1.050 1282 Y CB 0.363 38.851 38.460 0.045 0.000 1.308 1282 Y HN 0.307 nan 8.280 nan 0.000 0.456 1283 Y N 4.869 125.210 120.300 0.067 0.000 2.783 1283 Y HA 0.156 4.718 4.550 0.021 0.000 0.359 1283 Y C 1.291 177.176 175.900 -0.026 0.000 1.220 1283 Y CA -0.584 57.514 58.100 -0.002 0.000 1.649 1283 Y CB 0.263 38.765 38.460 0.069 0.000 1.273 1283 Y HN 0.841 nan 8.280 nan 0.000 0.506 1284 R N 1.904 122.335 120.500 -0.114 0.000 2.127 1284 R HA 0.055 4.410 4.340 0.025 0.000 0.217 1284 R C 1.013 177.222 176.300 -0.151 0.000 1.074 1284 R CA 0.756 56.658 56.100 -0.330 0.000 0.991 1284 R CB 0.068 30.099 30.300 -0.449 0.000 0.895 1284 R HN 0.101 nan 8.270 nan 0.000 0.450 1285 K N 1.008 121.296 120.400 -0.187 0.000 2.358 1285 K HA 0.237 4.572 4.320 0.025 0.000 0.197 1285 K C 0.713 177.103 176.600 -0.349 0.000 1.025 1285 K CA 0.412 56.575 56.287 -0.208 0.000 1.104 1285 K CB 1.321 33.719 32.500 -0.170 0.000 0.855 1285 K HN 0.331 nan 8.250 nan 0.000 0.531 1286 G N -0.181 108.219 108.800 -0.666 0.000 2.882 1286 G HA2 0.592 4.567 3.960 0.025 0.000 0.164 1286 G HA3 0.592 4.567 3.960 0.025 0.000 0.164 1286 G C -0.089 174.572 174.900 -0.398 0.000 1.429 1286 G CA 0.109 44.651 45.100 -0.930 0.000 1.059 1286 G HN 0.280 nan 8.290 nan 0.000 0.581 1287 G N -3.203 105.426 108.800 -0.285 0.000 2.324 1287 G HA2 0.301 4.276 3.960 0.025 0.000 0.293 1287 G HA3 0.301 4.276 3.960 0.025 0.000 0.293 1287 G C 0.586 175.502 174.900 0.027 0.000 1.297 1287 G CA 0.497 45.558 45.100 -0.065 0.000 0.853 1287 G HN 1.110 nan 8.290 nan 0.000 0.535 1288 C N 0.301 119.629 119.300 0.047 0.000 2.393 1288 C HA 0.105 4.580 4.460 0.025 0.000 0.276 1288 C C 3.390 178.426 174.990 0.077 0.000 1.215 1288 C CA 2.988 62.050 59.018 0.072 0.000 1.743 1288 C CB -1.331 26.436 27.740 0.045 0.000 2.044 1288 C HN 1.469 nan 8.230 nan 0.000 0.464 1289 A N -0.547 122.304 122.820 0.051 0.000 2.070 1289 A HA -0.095 4.240 4.320 0.025 0.000 0.220 1289 A C 2.132 179.770 177.584 0.090 0.000 1.159 1289 A CA 1.962 54.033 52.037 0.056 0.000 0.656 1289 A CB -0.545 18.477 19.000 0.036 0.000 0.800 1289 A HN 0.745 nan 8.150 nan 0.000 0.453 1290 M N -0.973 118.692 119.600 0.108 0.000 2.465 1290 M HA 0.241 4.736 4.480 0.025 0.000 0.249 1290 M C -0.131 176.363 176.300 0.323 0.000 1.130 1290 M CA -0.008 55.396 55.300 0.175 0.000 1.067 1290 M CB 0.062 32.717 32.600 0.091 0.000 1.394 1290 M HN 0.201 nan 8.290 nan 0.000 0.483 1291 L N 3.117 124.529 121.223 0.314 0.000 2.490 1291 L HA 0.069 4.423 4.340 0.025 0.000 0.274 1291 L C -1.508 175.511 176.870 0.248 0.000 1.201 1291 L CA -1.188 53.843 54.840 0.319 0.000 0.869 1291 L CB 0.135 42.363 42.059 0.281 0.000 1.123 1291 L HN -0.059 nan 8.230 nan 0.000 0.484 1292 P HA -0.000 nan 4.420 nan 0.000 0.220 1292 P C 0.988 178.548 177.300 0.434 0.000 1.806 1292 P CA -0.135 63.166 63.100 0.335 0.000 0.976 1292 P CB 0.035 31.846 31.700 0.185 0.000 1.952 1293 V N -0.299 119.778 119.914 0.272 0.000 2.594 1293 V HA -0.221 3.914 4.120 0.025 0.000 0.253 1293 V C 1.914 178.064 176.094 0.094 0.000 1.069 1293 V CA 1.305 63.678 62.300 0.121 0.000 1.082 1293 V CB -1.277 30.488 31.823 -0.096 0.000 0.680 1293 V HN 0.122 nan 8.190 nan 0.000 0.469 1294 K N -0.858 119.633 120.400 0.150 0.000 2.442 1294 K HA -0.043 4.291 4.320 0.025 0.000 0.198 1294 K C 1.600 178.175 176.600 -0.041 0.000 1.042 1294 K CA 1.483 57.713 56.287 -0.094 0.000 0.958 1294 K CB -0.145 32.159 32.500 -0.326 0.000 0.766 1294 K HN 0.685 nan 8.250 nan 0.000 0.474 1295 W N 0.251 121.717 121.300 0.277 0.000 3.127 1295 W HA 0.266 4.933 4.660 0.011 0.000 0.344 1295 W C 0.061 176.838 176.519 0.430 0.000 1.151 1295 W CA -0.381 57.199 57.345 0.392 0.000 1.765 1295 W CB 0.235 29.884 29.460 0.316 0.000 1.085 1295 W HN -0.035 nan 8.180 nan 0.000 0.596 1296 M N 2.046 121.896 119.600 0.417 0.000 2.336 1296 M HA 0.279 4.774 4.480 0.025 0.000 0.342 1296 M C -2.029 174.011 176.300 -0.433 0.000 1.128 1296 M CA -1.656 53.731 55.300 0.145 0.000 1.016 1296 M CB 1.704 34.468 32.600 0.274 0.000 1.665 1296 M HN -0.441 nan 8.290 nan 0.000 0.445 1297 P HA 0.224 nan 4.420 nan 0.000 0.274 1297 P C -2.514 174.054 177.300 -1.220 0.000 1.246 1297 P CA -1.286 60.809 63.100 -1.675 0.000 0.795 1297 P CB 0.045 31.141 31.700 -1.006 0.000 1.006 1298 P HA -0.201 nan 4.420 nan 0.000 0.215 1298 P C 1.556 178.161 177.300 -1.159 0.000 1.157 1298 P CA 1.785 64.080 63.100 -1.341 0.000 0.874 1298 P CB -0.225 31.058 31.700 -0.695 0.000 0.790 1299 E N 0.103 119.833 120.200 -0.783 0.000 2.268 1299 E HA -0.120 4.245 4.350 0.025 0.000 0.195 1299 E C 1.777 178.030 176.600 -0.578 0.000 0.995 1299 E CA 1.482 57.549 56.400 -0.555 0.000 0.836 1299 E CB -1.031 28.429 29.700 -0.400 0.000 0.763 1299 E HN 0.146 nan 8.360 nan 0.000 0.491 1300 A N 1.699 124.076 122.820 -0.737 0.000 1.854 1300 A HA -0.043 4.291 4.320 0.025 0.000 0.214 1300 A C 2.061 179.385 177.584 -0.434 0.000 1.192 1300 A CA 1.438 52.971 52.037 -0.841 0.000 0.611 1300 A CB -1.065 17.351 19.000 -0.974 0.000 0.832 1300 A HN 0.425 nan 8.150 nan 0.000 0.442 1301 F N -3.045 116.753 119.950 -0.254 0.000 2.558 1301 F HA 0.246 4.794 4.527 0.034 0.000 0.298 1301 F C 1.825 177.576 175.800 -0.082 0.000 1.119 1301 F CA 0.976 58.912 58.000 -0.107 0.000 1.451 1301 F CB -0.219 38.730 39.000 -0.085 0.000 1.091 1301 F HN 0.097 nan 8.300 nan 0.000 0.563 1302 M N 0.178 119.602 119.600 -0.293 0.000 2.447 1302 M HA 0.107 4.602 4.480 0.025 0.000 0.266 1302 M C 1.492 177.736 176.300 -0.093 0.000 1.120 1302 M CA 1.294 56.519 55.300 -0.126 0.000 1.166 1302 M CB -0.078 32.383 32.600 -0.232 0.000 1.349 1302 M HN -0.003 nan 8.290 nan 0.000 0.463 1303 E N -1.319 118.789 120.200 -0.153 0.000 2.539 1303 E HA 0.319 4.684 4.350 0.025 0.000 0.215 1303 E C 0.790 177.366 176.600 -0.040 0.000 0.965 1303 E CA 0.659 57.004 56.400 -0.092 0.000 1.019 1303 E CB 0.487 30.116 29.700 -0.119 0.000 1.059 1303 E HN 0.452 nan 8.360 nan 0.000 0.496 1304 G N 2.491 111.267 108.800 -0.040 0.000 2.221 1304 G HA2 -0.285 3.690 3.960 0.025 0.000 0.265 1304 G HA3 -0.285 3.690 3.960 0.025 0.000 0.265 1304 G C 0.220 175.197 174.900 0.129 0.000 1.041 1304 G CA 0.304 45.480 45.100 0.127 0.000 0.807 1304 G HN 0.238 nan 8.290 nan 0.000 0.502 1305 I N 0.148 120.635 120.570 -0.137 0.000 2.315 1305 I HA 0.528 4.713 4.170 0.025 0.000 0.291 1305 I C -0.160 175.789 176.117 -0.280 0.000 1.006 1305 I CA -0.657 60.587 61.300 -0.094 0.000 1.265 1305 I CB 0.653 38.577 38.000 -0.127 0.000 1.387 1305 I HN -0.011 nan 8.210 nan 0.000 0.475 1306 F N 4.266 124.214 119.950 -0.002 0.000 2.507 1306 F HA 0.572 5.112 4.527 0.022 0.000 0.325 1306 F C 0.542 176.364 175.800 0.036 0.000 1.116 1306 F CA -0.484 57.529 58.000 0.021 0.000 0.930 1306 F CB 2.139 41.160 39.000 0.033 0.000 1.146 1306 F HN 0.408 nan 8.300 nan 0.000 0.447 1307 T N -2.330 112.337 114.554 0.190 0.000 2.696 1307 T HA 0.293 4.658 4.350 0.025 0.000 0.291 1307 T C 0.653 175.474 174.700 0.201 0.000 1.095 1307 T CA -0.597 61.600 62.100 0.160 0.000 1.026 1307 T CB 1.367 70.293 68.868 0.096 0.000 1.390 1307 T HN 0.227 nan 8.240 nan 0.000 0.513 1308 S N 0.011 115.828 115.700 0.195 0.000 2.474 1308 S HA -0.015 4.470 4.470 0.025 0.000 0.235 1308 S C 1.747 176.487 174.600 0.234 0.000 0.997 1308 S CA 0.505 58.853 58.200 0.247 0.000 0.949 1308 S CB -0.381 62.961 63.200 0.238 0.000 0.766 1308 S HN 0.495 nan 8.310 nan 0.000 0.517 1309 K N 1.003 121.495 120.400 0.154 0.000 2.365 1309 K HA 0.074 4.408 4.320 0.025 0.000 0.199 1309 K C 1.913 178.624 176.600 0.185 0.000 1.045 1309 K CA 0.686 57.047 56.287 0.123 0.000 0.962 1309 K CB -0.874 31.667 32.500 0.069 0.000 0.759 1309 K HN 0.341 nan 8.250 nan 0.000 0.469 1310 T N 1.811 116.480 114.554 0.192 0.000 2.708 1310 T HA -0.129 4.236 4.350 0.025 0.000 0.266 1310 T C 1.242 176.174 174.700 0.386 0.000 1.037 1310 T CA 1.551 63.785 62.100 0.224 0.000 1.146 1310 T CB -0.171 68.841 68.868 0.240 0.000 0.865 1310 T HN 0.170 nan 8.240 nan 0.000 0.435 1311 D N 0.799 121.456 120.400 0.428 0.000 2.144 1311 D HA -0.051 4.603 4.640 0.025 0.000 0.199 1311 D C 2.338 179.022 176.300 0.639 0.000 0.984 1311 D CA 1.033 55.361 54.000 0.548 0.000 0.834 1311 D CB -0.647 40.488 40.800 0.559 0.000 0.955 1311 D HN 0.303 nan 8.370 nan 0.000 0.465 1312 T N 0.577 115.361 114.554 0.383 0.000 2.684 1312 T HA -0.191 4.174 4.350 0.025 0.000 0.267 1312 T C 1.589 176.482 174.700 0.321 0.000 1.036 1312 T CA 1.058 63.195 62.100 0.062 0.000 1.148 1312 T CB -0.288 68.487 68.868 -0.156 0.000 0.863 1312 T HN 0.345 nan 8.240 nan 0.000 0.436 1313 W N 1.962 123.405 121.300 0.238 0.000 2.333 1313 W HA -0.177 4.495 4.660 0.020 0.000 0.316 1313 W C 2.321 179.126 176.519 0.478 0.000 1.215 1313 W CA 1.616 59.173 57.345 0.353 0.000 1.278 1313 W CB -0.859 28.768 29.460 0.278 0.000 1.154 1313 W HN 0.238 nan 8.180 nan 0.000 0.486 1314 S N 0.628 116.825 115.700 0.827 0.000 2.383 1314 S HA -0.253 4.232 4.470 0.025 0.000 0.229 1314 S C 1.597 176.579 174.600 0.636 0.000 1.030 1314 S CA 1.690 60.350 58.200 0.767 0.000 1.002 1314 S CB -1.101 62.497 63.200 0.664 0.000 0.829 1314 S HN 0.353 nan 8.310 nan 0.000 0.467 1315 F N 2.475 122.697 119.950 0.453 0.000 2.216 1315 F HA -0.021 4.521 4.527 0.026 0.000 0.300 1315 F C 2.237 178.200 175.800 0.272 0.000 1.085 1315 F CA 1.097 59.324 58.000 0.379 0.000 1.326 1315 F CB -0.717 38.575 39.000 0.486 0.000 1.027 1315 F HN 0.237 nan 8.300 nan 0.000 0.497 1316 G N -0.128 108.805 108.800 0.222 0.000 2.440 1316 G HA2 -0.230 3.745 3.960 0.025 0.000 0.218 1316 G HA3 -0.230 3.745 3.960 0.025 0.000 0.218 1316 G C 1.666 176.720 174.900 0.255 0.000 1.154 1316 G CA 1.215 46.257 45.100 -0.095 0.000 0.767 1316 G HN 0.329 nan 8.290 nan 0.000 0.552 1317 V N 0.700 120.922 119.914 0.512 0.000 2.453 1317 V HA -0.085 4.049 4.120 0.025 0.000 0.247 1317 V C 2.632 178.952 176.094 0.377 0.000 1.048 1317 V CA 1.452 64.004 62.300 0.419 0.000 1.049 1317 V CB -0.374 31.543 31.823 0.156 0.000 0.672 1317 V HN 0.362 nan 8.190 nan 0.000 0.457 1318 L N -0.119 121.302 121.223 0.330 0.000 2.042 1318 L HA -0.153 4.202 4.340 0.025 0.000 0.210 1318 L C 2.213 179.130 176.870 0.077 0.000 1.076 1318 L CA 1.861 56.830 54.840 0.215 0.000 0.749 1318 L CB -0.589 41.507 42.059 0.061 0.000 0.893 1318 L HN 0.189 nan 8.230 nan 0.000 0.432 1319 L N -1.838 119.317 121.223 -0.113 0.000 2.013 1319 L HA -0.286 4.069 4.340 0.025 0.000 0.212 1319 L C 2.433 179.468 176.870 0.275 0.000 1.073 1319 L CA 2.073 56.922 54.840 0.015 0.000 0.753 1319 L CB -0.712 41.266 42.059 -0.135 0.000 0.890 1319 L HN 0.528 nan 8.230 nan 0.000 0.432 1320 W N 1.082 122.463 121.300 0.135 0.000 2.358 1320 W HA -0.211 4.463 4.660 0.024 0.000 0.303 1320 W C 2.499 179.118 176.519 0.167 0.000 1.208 1320 W CA 1.742 59.197 57.345 0.184 0.000 1.274 1320 W CB 0.010 29.601 29.460 0.219 0.000 1.138 1320 W HN 0.096 nan 8.180 nan 0.000 0.515 1321 E N 0.012 120.509 120.200 0.494 0.000 2.058 1321 E HA -0.275 4.089 4.350 0.025 0.000 0.194 1321 E C 2.055 178.738 176.600 0.138 0.000 0.997 1321 E CA 1.974 58.593 56.400 0.365 0.000 0.801 1321 E CB -0.515 29.430 29.700 0.408 0.000 0.746 1321 E HN 0.386 nan 8.360 nan 0.000 0.450 1322 I N -0.045 120.587 120.570 0.104 0.000 2.142 1322 I HA -0.249 3.936 4.170 0.025 0.000 0.240 1322 I C 1.928 177.921 176.117 -0.208 0.000 1.078 1322 I CA 1.223 62.490 61.300 -0.054 0.000 1.343 1322 I CB -0.186 37.752 38.000 -0.104 0.000 1.046 1322 I HN 0.037 nan 8.210 nan 0.000 0.405 1323 F N 0.615 120.491 119.950 -0.123 0.000 2.558 1323 F HA -0.090 4.451 4.527 0.023 0.000 0.298 1323 F C 2.636 178.248 175.800 -0.312 0.000 1.119 1323 F CA 0.897 58.786 58.000 -0.184 0.000 1.451 1323 F CB -0.313 38.587 39.000 -0.168 0.000 1.091 1323 F HN 0.084 nan 8.300 nan 0.000 0.563 1324 S N -0.046 115.447 115.700 -0.345 0.000 2.603 1324 S HA 0.042 4.527 4.470 0.025 0.000 0.220 1324 S C 0.872 175.416 174.600 -0.095 0.000 0.967 1324 S CA -0.031 57.886 58.200 -0.473 0.000 0.920 1324 S CB -0.797 61.780 63.200 -1.038 0.000 0.773 1324 S HN 0.370 nan 8.310 nan 0.000 0.529 1325 L N 0.354 121.536 121.223 -0.069 0.000 3.608 1325 L HA -0.190 4.165 4.340 0.025 0.000 0.422 1325 L C 1.049 177.956 176.870 0.062 0.000 1.260 1325 L CA 0.145 54.977 54.840 -0.013 0.000 0.889 1325 L CB -2.441 39.605 42.059 -0.021 0.000 1.821 1325 L HN 0.650 nan 8.230 nan 0.000 0.884 1326 G N -2.554 106.308 108.800 0.102 0.000 2.131 1326 G HA2 -0.317 3.658 3.960 0.025 0.000 0.223 1326 G HA3 -0.317 3.658 3.960 0.025 0.000 0.223 1326 G C 0.001 175.005 174.900 0.173 0.000 0.990 1326 G CA 0.043 45.221 45.100 0.130 0.000 0.671 1326 G HN 0.374 nan 8.290 nan 0.000 0.521 1327 Y N -0.619 119.740 120.300 0.100 0.000 2.480 1327 Y HA 0.505 5.069 4.550 0.023 0.000 0.338 1327 Y C 1.115 177.225 175.900 0.351 0.000 1.220 1327 Y CA -0.196 58.029 58.100 0.208 0.000 1.430 1327 Y CB 0.572 39.174 38.460 0.237 0.000 1.311 1327 Y HN 0.281 nan 8.280 nan 0.000 0.575 1328 M N 6.044 125.882 119.600 0.397 0.000 2.260 1328 M HA 0.174 4.669 4.480 0.025 0.000 0.348 1328 M C -2.465 173.969 176.300 0.224 0.000 1.342 1328 M CA -1.647 53.837 55.300 0.306 0.000 1.040 1328 M CB 0.062 32.785 32.600 0.204 0.000 1.810 1328 M HN 0.240 nan 8.290 nan 0.000 0.453 1329 P HA -0.051 nan 4.420 nan 0.000 0.267 1329 P C -1.138 175.927 177.300 -0.391 0.000 1.201 1329 P CA 0.479 63.241 63.100 -0.563 0.000 0.775 1329 P CB -0.052 31.249 31.700 -0.665 0.000 0.854 1330 Y N 0.074 119.952 120.300 -0.703 0.000 2.981 1330 Y HA -0.187 4.376 4.550 0.021 0.000 0.204 1330 Y C -0.939 174.793 175.900 -0.279 0.000 1.265 1330 Y CA -0.189 57.621 58.100 -0.483 0.000 0.941 1330 Y CB -2.328 35.877 38.460 -0.424 0.000 1.254 1330 Y HN 0.504 nan 8.280 nan 0.000 0.469 1331 P HA -0.212 nan 4.420 nan 0.000 0.217 1331 P C 1.309 178.628 177.300 0.030 0.000 1.148 1331 P CA 2.184 65.319 63.100 0.058 0.000 0.828 1331 P CB 0.072 31.895 31.700 0.205 0.000 0.783 1332 S N -2.482 113.206 115.700 -0.019 0.000 2.593 1332 S HA 0.139 4.624 4.470 0.025 0.000 0.217 1332 S C 0.721 175.283 174.600 -0.062 0.000 0.966 1332 S CA -0.154 58.027 58.200 -0.032 0.000 0.914 1332 S CB -0.429 62.743 63.200 -0.046 0.000 0.776 1332 S HN 0.097 nan 8.310 nan 0.000 0.523 1333 K N 2.215 122.568 120.400 -0.078 0.000 2.207 1333 K HA 0.472 4.807 4.320 0.025 0.000 0.255 1333 K C -0.060 176.491 176.600 -0.083 0.000 0.941 1333 K CA -0.459 55.760 56.287 -0.112 0.000 0.825 1333 K CB 1.875 34.258 32.500 -0.196 0.000 1.119 1333 K HN 0.341 nan 8.250 nan 0.000 0.430 1334 S N 1.202 116.852 115.700 -0.083 0.000 2.645 1334 S HA 0.119 4.604 4.470 0.025 0.000 0.266 1334 S C 0.908 175.444 174.600 -0.106 0.000 1.258 1334 S CA -0.526 57.635 58.200 -0.066 0.000 0.990 1334 S CB 0.745 63.913 63.200 -0.052 0.000 0.967 1334 S HN 0.522 nan 8.310 nan 0.000 0.556 1335 N N 0.925 119.576 118.700 -0.083 0.000 2.061 1335 N HA -0.168 4.586 4.740 0.025 0.000 0.193 1335 N C 1.750 177.153 175.510 -0.179 0.000 1.030 1335 N CA 1.815 54.792 53.050 -0.121 0.000 0.856 1335 N CB -0.873 37.579 38.487 -0.058 0.000 1.023 1335 N HN 0.790 nan 8.380 nan 0.000 0.424 1336 Q N 1.225 120.948 119.800 -0.129 0.000 2.084 1336 Q HA -0.063 4.292 4.340 0.025 0.000 0.202 1336 Q C 1.586 177.506 176.000 -0.132 0.000 0.978 1336 Q CA 1.534 57.260 55.803 -0.129 0.000 0.844 1336 Q CB -0.185 28.507 28.738 -0.077 0.000 0.898 1336 Q HN 0.452 nan 8.270 nan 0.000 0.426 1337 E N -1.030 119.099 120.200 -0.117 0.000 2.118 1337 E HA -0.159 4.206 4.350 0.025 0.000 0.195 1337 E C 1.954 178.474 176.600 -0.132 0.000 0.992 1337 E CA 1.401 57.739 56.400 -0.104 0.000 0.804 1337 E CB -0.017 29.617 29.700 -0.110 0.000 0.741 1337 E HN 0.191 nan 8.360 nan 0.000 0.458 1338 V N 1.089 120.855 119.914 -0.246 0.000 2.295 1338 V HA -0.266 3.869 4.120 0.025 0.000 0.246 1338 V C 2.262 178.162 176.094 -0.324 0.000 1.049 1338 V CA 1.362 63.428 62.300 -0.389 0.000 1.024 1338 V CB -0.447 30.972 31.823 -0.674 0.000 0.648 1338 V HN 0.185 nan 8.190 nan 0.000 0.447 1339 L N 0.099 121.074 121.223 -0.413 0.000 1.978 1339 L HA -0.278 4.077 4.340 0.025 0.000 0.218 1339 L C 2.530 179.297 176.870 -0.171 0.000 1.075 1339 L CA 2.275 56.793 54.840 -0.536 0.000 0.767 1339 L CB -0.810 40.947 42.059 -0.504 0.000 0.890 1339 L HN 0.409 nan 8.230 nan 0.000 0.434 1340 E N -1.688 118.465 120.200 -0.078 0.000 2.072 1340 E HA -0.244 4.121 4.350 0.025 0.000 0.191 1340 E C 2.137 178.778 176.600 0.069 0.000 0.985 1340 E CA 1.263 57.672 56.400 0.014 0.000 0.801 1340 E CB -0.324 29.384 29.700 0.013 0.000 0.750 1340 E HN 0.433 nan 8.360 nan 0.000 0.452 1341 F N 1.338 121.234 119.950 -0.090 0.000 2.043 1341 F HA -0.293 4.253 4.527 0.030 0.000 0.297 1341 F C 2.217 178.011 175.800 -0.010 0.000 1.121 1341 F CA 1.341 59.305 58.000 -0.060 0.000 1.199 1341 F CB -0.118 38.818 39.000 -0.106 0.000 0.968 1341 F HN -0.188 nan 8.300 nan 0.000 0.478 1342 V N 0.377 120.288 119.914 -0.005 0.000 2.358 1342 V HA -0.304 3.831 4.120 0.025 0.000 0.246 1342 V C 2.549 178.700 176.094 0.094 0.000 1.047 1342 V CA 2.299 64.612 62.300 0.023 0.000 1.035 1342 V CB -1.141 30.771 31.823 0.149 0.000 0.658 1342 V HN 0.667 nan 8.190 nan 0.000 0.452 1343 T N -2.906 111.739 114.554 0.153 0.000 2.881 1343 T HA -0.131 4.233 4.350 0.025 0.000 0.270 1343 T C 1.655 176.377 174.700 0.037 0.000 1.068 1343 T CA 1.599 63.789 62.100 0.149 0.000 1.131 1343 T CB -0.317 68.661 68.868 0.183 0.000 0.871 1343 T HN 0.377 nan 8.240 nan 0.000 0.479 1344 S N 0.370 116.057 115.700 -0.022 0.000 2.593 1344 S HA 0.467 4.952 4.470 0.025 0.000 0.217 1344 S C 1.684 176.212 174.600 -0.121 0.000 0.966 1344 S CA 0.223 58.381 58.200 -0.069 0.000 0.914 1344 S CB -0.101 63.069 63.200 -0.050 0.000 0.776 1344 S HN 0.983 nan 8.310 nan 0.000 0.523 1345 G N 1.136 109.861 108.800 -0.124 0.000 2.179 1345 G HA2 -0.159 3.816 3.960 0.025 0.000 0.220 1345 G HA3 -0.159 3.816 3.960 0.025 0.000 0.220 1345 G C 0.328 175.080 174.900 -0.246 0.000 0.990 1345 G CA -0.427 44.601 45.100 -0.120 0.000 0.646 1345 G HN 0.779 nan 8.290 nan 0.000 0.517 1346 G N 0.184 108.637 108.800 -0.578 0.000 2.380 1346 G HA2 0.497 4.471 3.960 0.025 0.000 0.242 1346 G HA3 0.497 4.471 3.960 0.025 0.000 0.242 1346 G C 0.114 174.509 174.900 -0.842 0.000 1.298 1346 G CA 0.022 44.360 45.100 -1.271 0.000 0.878 1346 G HN 0.412 nan 8.290 nan 0.000 0.542 1347 R N 1.665 121.965 120.500 -0.334 0.000 2.808 1347 R HA 0.331 4.686 4.340 0.025 0.000 0.272 1347 R C 0.063 176.501 176.300 0.230 0.000 0.995 1347 R CA -1.087 55.013 56.100 -0.001 0.000 0.917 1347 R CB 1.501 31.836 30.300 0.058 0.000 1.217 1347 R HN 0.556 nan 8.270 nan 0.000 0.471 1348 M N 1.558 121.082 119.600 -0.127 0.000 2.249 1348 M HA 0.022 4.517 4.480 0.025 0.000 0.340 1348 M C 0.078 176.531 176.300 0.255 0.000 1.166 1348 M CA 0.515 55.710 55.300 -0.174 0.000 1.115 1348 M CB 0.292 32.386 32.600 -0.843 0.000 1.606 1348 M HN 0.262 nan 8.290 nan 0.000 0.448 1349 D N 3.331 123.853 120.400 0.204 0.000 2.363 1349 D HA 0.223 4.878 4.640 0.025 0.000 0.240 1349 D C -2.230 174.161 176.300 0.152 0.000 1.236 1349 D CA -0.959 53.134 54.000 0.154 0.000 0.927 1349 D CB 0.011 40.843 40.800 0.054 0.000 1.150 1349 D HN 0.247 nan 8.370 nan 0.000 0.458 1350 P HA 0.148 nan 4.420 nan 0.000 0.269 1350 P C -2.404 174.811 177.300 -0.142 0.000 1.209 1350 P CA -0.735 62.090 63.100 -0.458 0.000 0.776 1350 P CB -0.188 31.044 31.700 -0.781 0.000 0.876 1351 P HA 0.064 nan 4.420 nan 0.000 0.271 1351 P C -0.253 176.882 177.300 -0.275 0.000 1.233 1351 P CA -0.153 62.681 63.100 -0.443 0.000 0.789 1351 P CB 0.339 31.655 31.700 -0.640 0.000 0.951 1352 K N 2.189 122.423 120.400 -0.275 0.000 2.491 1352 K HA -0.085 4.250 4.320 0.025 0.000 0.279 1352 K C 0.232 176.753 176.600 -0.132 0.000 1.026 1352 K CA 0.535 56.713 56.287 -0.181 0.000 1.070 1352 K CB -0.556 31.841 32.500 -0.172 0.000 0.887 1352 K HN 0.364 nan 8.250 nan 0.000 0.481 1353 N N 0.948 119.586 118.700 -0.103 0.000 2.878 1353 N HA -0.230 4.525 4.740 0.025 0.000 0.247 1353 N C -0.634 174.843 175.510 -0.055 0.000 1.021 1353 N CA 0.940 53.949 53.050 -0.069 0.000 0.873 1353 N CB -2.069 36.389 38.487 -0.048 0.000 1.128 1353 N HN 0.553 nan 8.380 nan 0.000 0.571 1354 C N 2.218 121.466 119.300 -0.086 0.000 2.629 1354 C HA 0.323 4.798 4.460 0.025 0.000 0.410 1354 C C -1.582 173.349 174.990 -0.098 0.000 1.339 1354 C CA -1.297 57.671 59.018 -0.084 0.000 1.810 1354 C CB -0.502 27.154 27.740 -0.141 0.000 2.549 1354 C HN 0.215 nan 8.230 nan 0.000 0.589 1355 P HA 0.193 nan 4.420 nan 0.000 0.269 1355 P C 0.790 178.045 177.300 -0.075 0.000 1.209 1355 P CA 0.386 63.439 63.100 -0.078 0.000 0.776 1355 P CB 0.532 32.189 31.700 -0.073 0.000 0.876 1356 G N 3.496 112.273 108.800 -0.038 0.000 2.476 1356 G HA2 -0.197 3.777 3.960 0.025 0.000 0.218 1356 G HA3 -0.197 3.777 3.960 0.025 0.000 0.218 1356 G C -0.993 173.906 174.900 -0.002 0.000 1.164 1356 G CA 0.854 45.960 45.100 0.010 0.000 0.768 1356 G HN 0.450 nan 8.290 nan 0.000 0.560 1357 P HA -0.033 nan 4.420 nan 0.000 0.218 1357 P C 2.042 179.281 177.300 -0.102 0.000 1.148 1357 P CA 0.742 63.810 63.100 -0.053 0.000 0.822 1357 P CB -0.036 31.631 31.700 -0.056 0.000 0.784 1358 V N -1.568 118.243 119.914 -0.171 0.000 2.323 1358 V HA -0.242 3.893 4.120 0.025 0.000 0.244 1358 V C 2.274 178.210 176.094 -0.263 0.000 1.041 1358 V CA 1.518 63.626 62.300 -0.321 0.000 1.025 1358 V CB -1.428 29.983 31.823 -0.687 0.000 0.656 1358 V HN 0.067 nan 8.190 nan 0.000 0.451 1359 Y N 1.038 121.163 120.300 -0.293 0.000 2.165 1359 Y HA -0.325 4.239 4.550 0.023 0.000 0.286 1359 Y C 2.813 178.582 175.900 -0.219 0.000 1.155 1359 Y CA 1.998 59.964 58.100 -0.224 0.000 1.164 1359 Y CB -0.024 38.360 38.460 -0.127 0.000 0.978 1359 Y HN 0.068 nan 8.280 nan 0.000 0.513 1360 R N 0.407 120.776 120.500 -0.218 0.000 2.091 1360 R HA -0.190 4.164 4.340 0.025 0.000 0.238 1360 R C 2.113 178.215 176.300 -0.330 0.000 1.136 1360 R CA 2.112 58.051 56.100 -0.269 0.000 0.959 1360 R CB -0.453 29.775 30.300 -0.120 0.000 0.856 1360 R HN 0.470 nan 8.270 nan 0.000 0.437 1361 I N -0.089 120.312 120.570 -0.281 0.000 2.226 1361 I HA -0.348 3.836 4.170 0.025 0.000 0.245 1361 I C 2.217 178.062 176.117 -0.455 0.000 1.100 1361 I CA 1.455 62.595 61.300 -0.267 0.000 1.374 1361 I CB -0.225 37.685 38.000 -0.149 0.000 1.057 1361 I HN 0.241 nan 8.210 nan 0.000 0.413 1362 M N 0.241 119.453 119.600 -0.647 0.000 2.080 1362 M HA -0.217 4.278 4.480 0.025 0.000 0.260 1362 M C 2.505 177.867 176.300 -1.564 0.000 1.068 1362 M CA 2.585 57.154 55.300 -1.218 0.000 1.109 1362 M CB -0.924 30.900 32.600 -1.294 0.000 1.342 1362 M HN 0.437 nan 8.290 nan 0.000 0.405 1363 T N -1.853 112.074 114.554 -1.045 0.000 2.867 1363 T HA -0.138 4.227 4.350 0.025 0.000 0.268 1363 T C 1.670 176.148 174.700 -0.370 0.000 1.057 1363 T CA 1.192 62.934 62.100 -0.597 0.000 1.136 1363 T CB -0.397 68.192 68.868 -0.464 0.000 0.874 1363 T HN 0.459 nan 8.240 nan 0.000 0.466 1364 Q N 0.038 119.618 119.800 -0.368 0.000 2.124 1364 Q HA -0.014 4.341 4.340 0.025 0.000 0.202 1364 Q C 2.624 178.490 176.000 -0.223 0.000 0.977 1364 Q CA 1.623 57.289 55.803 -0.229 0.000 0.850 1364 Q CB -0.545 28.077 28.738 -0.194 0.000 0.901 1364 Q HN 0.593 nan 8.270 nan 0.000 0.429 1365 C N -0.533 118.545 119.300 -0.371 0.000 2.432 1365 C HA -0.108 4.367 4.460 0.025 0.000 0.280 1365 C C 1.219 176.072 174.990 -0.228 0.000 1.353 1365 C CA 0.114 58.946 59.018 -0.310 0.000 1.766 1365 C CB -0.767 26.727 27.740 -0.409 0.000 1.924 1365 C HN 0.629 nan 8.230 nan 0.000 0.509 1366 W N 0.531 121.584 121.300 -0.412 0.000 3.325 1366 W HA 0.295 4.972 4.660 0.030 0.000 0.370 1366 W C 0.543 176.966 176.519 -0.159 0.000 1.169 1366 W CA -0.583 56.322 57.345 -0.734 0.000 1.874 1366 W CB -1.137 27.782 29.460 -0.902 0.000 1.076 1366 W HN 0.351 nan 8.180 nan 0.000 0.684 1367 Q N 0.211 120.110 119.800 0.165 0.000 2.315 1367 Q HA -0.111 4.244 4.340 0.025 0.000 0.289 1367 Q C 1.374 177.578 176.000 0.340 0.000 1.044 1367 Q CA 0.684 56.608 55.803 0.202 0.000 0.920 1367 Q CB 0.906 29.708 28.738 0.106 0.000 1.214 1367 Q HN 0.343 nan 8.270 nan 0.000 0.392 1368 H N 2.214 121.415 119.070 0.218 0.000 2.321 1368 H HA -0.086 4.484 4.556 0.024 0.000 0.300 1368 H C -0.079 175.308 175.328 0.099 0.000 1.087 1368 H CA 1.533 57.691 56.048 0.183 0.000 1.319 1368 H CB 0.655 30.471 29.762 0.090 0.000 1.379 1368 H HN 0.381 nan 8.280 nan 0.000 0.501 1369 Q N 1.579 121.434 119.800 0.092 0.000 2.288 1369 Q HA 0.072 4.427 4.340 0.025 0.000 0.258 1369 Q C -1.645 174.360 176.000 0.008 0.000 0.957 1369 Q CA -1.755 54.049 55.803 0.002 0.000 0.919 1369 Q CB 1.307 30.084 28.738 0.063 0.000 1.185 1369 Q HN 0.425 nan 8.270 nan 0.000 0.408 1370 P HA -0.235 nan 4.420 nan 0.000 0.216 1370 P C 0.960 178.269 177.300 0.016 0.000 1.150 1370 P CA 1.457 64.559 63.100 0.003 0.000 0.837 1370 P CB 0.239 31.920 31.700 -0.033 0.000 0.786 1371 E N 0.173 120.377 120.200 0.006 0.000 2.265 1371 E HA -0.195 4.170 4.350 0.025 0.000 0.196 1371 E C 0.905 177.510 176.600 0.009 0.000 0.996 1371 E CA 1.144 57.549 56.400 0.008 0.000 0.832 1371 E CB -0.997 28.707 29.700 0.006 0.000 0.756 1371 E HN 0.257 nan 8.360 nan 0.000 0.491 1372 D N 0.961 121.373 120.400 0.020 0.000 2.347 1372 D HA 0.040 4.695 4.640 0.025 0.000 0.213 1372 D C 0.339 176.642 176.300 0.006 0.000 0.985 1372 D CA 0.215 54.225 54.000 0.017 0.000 0.879 1372 D CB 0.083 40.904 40.800 0.035 0.000 0.919 1372 D HN 0.173 nan 8.370 nan 0.000 0.526 1373 R N 1.780 122.287 120.500 0.012 0.000 2.490 1373 R HA 0.240 4.595 4.340 0.025 0.000 0.280 1373 R C -2.194 174.069 176.300 -0.061 0.000 1.077 1373 R CA -1.316 54.775 56.100 -0.014 0.000 1.065 1373 R CB 0.268 30.584 30.300 0.027 0.000 1.003 1373 R HN 0.007 nan 8.270 nan 0.000 0.470 1374 P HA -0.027 nan 4.420 nan 0.000 0.271 1374 P C -1.078 176.097 177.300 -0.207 0.000 1.218 1374 P CA -0.393 62.625 63.100 -0.136 0.000 0.780 1374 P CB 0.527 32.136 31.700 -0.153 0.000 0.901 1375 N N 1.031 119.636 118.700 -0.157 0.000 2.347 1375 N HA 0.059 4.814 4.740 0.025 0.000 0.253 1375 N C 0.551 175.920 175.510 -0.236 0.000 1.274 1375 N CA -0.243 52.706 53.050 -0.168 0.000 0.941 1375 N CB -0.399 38.069 38.487 -0.032 0.000 1.200 1375 N HN 0.232 nan 8.380 nan 0.000 0.514 1376 F N -1.071 118.842 119.950 -0.063 0.000 2.325 1376 F HA 0.074 4.615 4.527 0.023 0.000 0.299 1376 F C 2.402 178.143 175.800 -0.098 0.000 1.090 1376 F CA 1.189 59.114 58.000 -0.124 0.000 1.392 1376 F CB -0.328 38.581 39.000 -0.151 0.000 1.053 1376 F HN 0.682 nan 8.300 nan 0.000 0.521 1377 A N 0.326 123.199 122.820 0.087 0.000 1.933 1377 A HA -0.150 4.185 4.320 0.025 0.000 0.218 1377 A C 2.176 179.765 177.584 0.009 0.000 1.175 1377 A CA 1.526 53.590 52.037 0.045 0.000 0.628 1377 A CB -0.905 18.115 19.000 0.033 0.000 0.814 1377 A HN 0.402 nan 8.150 nan 0.000 0.444 1378 I N -0.534 120.022 120.570 -0.024 0.000 2.286 1378 I HA -0.198 3.987 4.170 0.025 0.000 0.245 1378 I C 2.259 178.350 176.117 -0.044 0.000 1.104 1378 I CA 0.972 62.246 61.300 -0.043 0.000 1.397 1378 I CB -0.254 37.707 38.000 -0.064 0.000 1.072 1378 I HN 0.290 nan 8.210 nan 0.000 0.417 1379 I N 0.493 121.016 120.570 -0.078 0.000 2.151 1379 I HA -0.347 3.838 4.170 0.025 0.000 0.243 1379 I C 2.513 178.640 176.117 0.017 0.000 1.080 1379 I CA 1.634 62.897 61.300 -0.063 0.000 1.339 1379 I CB -0.345 37.546 38.000 -0.181 0.000 1.039 1379 I HN 0.219 nan 8.210 nan 0.000 0.409 1380 L N 0.411 121.652 121.223 0.029 0.000 2.042 1380 L HA -0.266 4.089 4.340 0.025 0.000 0.210 1380 L C 2.672 179.582 176.870 0.066 0.000 1.076 1380 L CA 1.762 56.638 54.840 0.060 0.000 0.749 1380 L CB -0.524 41.569 42.059 0.056 0.000 0.893 1380 L HN 0.381 nan 8.230 nan 0.000 0.432 1381 E N 0.262 120.487 120.200 0.040 0.000 2.077 1381 E HA -0.246 4.119 4.350 0.025 0.000 0.193 1381 E C 2.284 178.920 176.600 0.061 0.000 0.989 1381 E CA 1.155 57.575 56.400 0.033 0.000 0.800 1381 E CB 0.057 29.753 29.700 -0.007 0.000 0.746 1381 E HN 0.390 nan 8.360 nan 0.000 0.452 1382 R N 0.079 120.611 120.500 0.053 0.000 2.090 1382 R HA 0.004 4.359 4.340 0.025 0.000 0.228 1382 R C 2.528 178.904 176.300 0.127 0.000 1.110 1382 R CA 1.242 57.395 56.100 0.087 0.000 0.973 1382 R CB -0.202 30.117 30.300 0.033 0.000 0.869 1382 R HN 0.297 nan 8.270 nan 0.000 0.440 1383 I N 0.734 121.377 120.570 0.120 0.000 2.179 1383 I HA -0.253 3.932 4.170 0.025 0.000 0.242 1383 I C 2.008 178.217 176.117 0.153 0.000 1.088 1383 I CA 1.364 62.753 61.300 0.148 0.000 1.357 1383 I CB -0.175 37.939 38.000 0.191 0.000 1.051 1383 I HN 0.111 nan 8.210 nan 0.000 0.409 1384 E N 0.166 120.457 120.200 0.151 0.000 2.085 1384 E HA -0.279 4.086 4.350 0.025 0.000 0.194 1384 E C 2.052 178.764 176.600 0.187 0.000 0.994 1384 E CA 1.500 57.993 56.400 0.154 0.000 0.801 1384 E CB -0.337 29.440 29.700 0.129 0.000 0.743 1384 E HN 0.492 nan 8.360 nan 0.000 0.453 1385 Y N -0.405 119.917 120.300 0.037 0.000 2.181 1385 Y HA -0.324 4.240 4.550 0.024 0.000 0.288 1385 Y C 2.284 178.197 175.900 0.022 0.000 1.146 1385 Y CA 1.015 59.129 58.100 0.023 0.000 1.164 1385 Y CB -0.027 38.438 38.460 0.010 0.000 0.982 1385 Y HN 0.135 nan 8.280 nan 0.000 0.515 1386 C N -0.266 119.064 119.300 0.050 0.000 2.413 1386 C HA -0.233 4.242 4.460 0.025 0.000 0.276 1386 C C 2.882 177.858 174.990 -0.022 0.000 1.248 1386 C CA 1.938 60.940 59.018 -0.027 0.000 1.742 1386 C CB -1.478 26.270 27.740 0.015 0.000 2.017 1386 C HN 0.768 nan 8.230 nan 0.000 0.481 1387 T N -1.368 113.209 114.554 0.039 0.000 2.962 1387 T HA -0.171 4.194 4.350 0.025 0.000 0.270 1387 T C 1.519 176.227 174.700 0.013 0.000 1.088 1387 T CA 1.303 63.430 62.100 0.044 0.000 1.127 1387 T CB -0.428 68.508 68.868 0.113 0.000 0.883 1387 T HN 0.670 nan 8.240 nan 0.000 0.493 1388 Q N 0.638 120.430 119.800 -0.013 0.000 2.389 1388 Q HA 0.068 4.423 4.340 0.025 0.000 0.204 1388 Q C 0.190 176.129 176.000 -0.101 0.000 0.944 1388 Q CA 0.380 56.161 55.803 -0.036 0.000 0.908 1388 Q CB 0.104 28.835 28.738 -0.012 0.000 1.002 1388 Q HN 0.490 nan 8.270 nan 0.000 0.493 1389 D N 0.445 120.757 120.400 -0.148 0.000 2.380 1389 D HA 0.088 4.743 4.640 0.025 0.000 0.230 1389 D C -1.976 174.272 176.300 -0.085 0.000 1.154 1389 D CA -2.358 51.549 54.000 -0.155 0.000 0.859 1389 D CB 1.523 42.196 40.800 -0.212 0.000 1.045 1389 D HN -0.136 nan 8.370 nan 0.000 0.495 1390 P HA -0.102 nan 4.420 nan 0.000 0.216 1390 P C 0.660 177.936 177.300 -0.039 0.000 1.150 1390 P CA 0.795 63.870 63.100 -0.041 0.000 0.837 1390 P CB 0.408 32.088 31.700 -0.033 0.000 0.786 1391 D N -1.192 119.180 120.400 -0.047 0.000 2.178 1391 D HA -0.093 4.562 4.640 0.025 0.000 0.201 1391 D C 1.955 178.232 176.300 -0.039 0.000 0.980 1391 D CA 0.853 54.829 54.000 -0.041 0.000 0.842 1391 D CB -0.617 40.156 40.800 -0.044 0.000 0.948 1391 D HN 0.007 nan 8.370 nan 0.000 0.472 1392 V N 1.669 121.554 119.914 -0.048 0.000 2.283 1392 V HA -0.176 3.959 4.120 0.025 0.000 0.243 1392 V C 2.466 178.553 176.094 -0.012 0.000 1.039 1392 V CA 1.406 63.684 62.300 -0.035 0.000 1.016 1392 V CB -0.489 31.305 31.823 -0.049 0.000 0.650 1392 V HN 0.280 nan 8.190 nan 0.000 0.449 1393 I N -1.526 119.032 120.570 -0.019 0.000 2.928 1393 I HA -0.033 4.152 4.170 0.025 0.000 0.266 1393 I C 1.555 177.661 176.117 -0.017 0.000 1.234 1393 I CA 1.562 62.853 61.300 -0.015 0.000 1.483 1393 I CB -0.656 37.327 38.000 -0.029 0.000 1.097 1393 I HN 0.246 nan 8.210 nan 0.000 0.455 1394 N N 0.793 119.482 118.700 -0.019 0.000 2.383 1394 N HA 0.066 4.821 4.740 0.025 0.000 0.192 1394 N C -0.311 175.190 175.510 -0.015 0.000 1.141 1394 N CA -0.052 52.988 53.050 -0.018 0.000 0.851 1394 N CB 0.266 38.742 38.487 -0.019 0.000 0.976 1394 N HN 0.292 nan 8.380 nan 0.000 0.465 1395 T N 1.227 115.774 114.554 -0.010 0.000 2.814 1395 T HA 0.314 4.679 4.350 0.025 0.000 0.297 1395 T C 0.388 175.083 174.700 -0.008 0.000 0.956 1395 T CA -0.564 61.531 62.100 -0.008 0.000 1.123 1395 T CB 1.137 70.004 68.868 -0.003 0.000 0.902 1395 T HN 0.120 nan 8.240 nan 0.000 0.528 1396 A N 4.408 127.219 122.820 -0.014 0.000 2.440 1396 A HA 0.453 4.788 4.320 0.025 0.000 0.251 1396 A C 0.377 177.950 177.584 -0.019 0.000 1.089 1396 A CA -0.476 51.550 52.037 -0.018 0.000 0.779 1396 A CB -0.086 18.902 19.000 -0.020 0.000 1.022 1396 A HN 0.879 nan 8.150 nan 0.000 0.492 1397 L N 4.042 125.251 121.223 -0.024 0.000 2.417 1397 L HA 0.293 4.648 4.340 0.025 0.000 0.268 1397 L C -1.619 175.231 176.870 -0.033 0.000 1.158 1397 L CA -1.607 53.215 54.840 -0.031 0.000 0.819 1397 L CB 0.731 42.764 42.059 -0.044 0.000 1.112 1397 L HN 0.550 nan 8.230 nan 0.000 0.458 1398 P HA 0.203 nan 4.420 nan 0.000 0.275 1398 P C -0.841 176.444 177.300 -0.025 0.000 1.227 1398 P CA -0.118 62.962 63.100 -0.032 0.000 0.781 1398 P CB 1.030 32.707 31.700 -0.039 0.000 0.906 1399 I N 0.000 120.557 120.570 -0.021 0.000 2.984 1399 I HA 0.000 4.185 4.170 0.025 0.000 0.288 1399 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 1399 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 1399 I HN 0.000 nan 8.210 nan 0.000 0.494