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 2bl4_1_B DATA FIRST_RESID 1002 DATA SEQUENCE MANRMILNET AWFGRGAVGA LTDEVKRRGY QKALIVTDKT LVQCGVVAKV DATA SEQUENCE TDKMDAAGLA WAIYDGVVPN PTITVVKEGL GVFQNSGADY LIAIGGGSPQ DATA SEQUENCE DTCKAIGIIS NNPEFADVRS LEGLSPTNKP SVPILAIPTT AGTAAEVTIN DATA SEQUENCE YVITDEEKRR KFVCVDPHDI PQVAFIDADM MDGMPPALKA ATGVDALTHA DATA SEQUENCE IEGYITRGAW ALTDALHIKA IEIIAGALRG SVAGDKDAGE EMALGQYVAG DATA SEQUENCE MGFSNVGLGL VHGMAHPLGA FYNTPHGVAN AILLPHVMRY NADFTGEKYR DATA SEQUENCE DIARVMGVKV EGMSLEEARN AAVEAVFALN RDVGIPPHLR DVGVRKEDIP DATA SEQUENCE ALAQAALDDV CTGGNPREAT LEDIVELYHT AW 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 1002 M HA 0.000 nan 4.480 nan 0.000 0.227 1002 M C 0.000 176.217 176.300 -0.138 0.000 1.140 1002 M CA 0.000 55.248 55.300 -0.087 0.000 0.988 1002 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 1003 A N 1.567 124.301 122.820 -0.143 0.000 2.295 1003 A HA 0.806 5.126 4.320 -0.000 0.000 0.318 1003 A C -0.885 176.547 177.584 -0.254 0.000 1.134 1003 A CA -0.791 51.125 52.037 -0.202 0.000 0.827 1003 A CB 0.536 19.449 19.000 -0.146 0.000 1.136 1003 A HN 0.804 nan 8.150 nan 0.000 0.493 1004 N N 1.097 119.554 118.700 -0.405 0.000 2.487 1004 N HA 0.323 5.063 4.740 -0.000 0.000 0.292 1004 N C -0.514 174.884 175.510 -0.187 0.000 1.108 1004 N CA -0.350 52.451 53.050 -0.415 0.000 0.956 1004 N CB 1.593 39.455 38.487 -1.042 0.000 1.176 1004 N HN 0.647 nan 8.380 nan 0.000 0.484 1005 R N 1.814 122.284 120.500 -0.050 0.000 2.664 1005 R HA 0.489 4.829 4.340 -0.000 0.000 0.286 1005 R C -1.098 175.252 176.300 0.082 0.000 0.967 1005 R CA -0.449 55.653 56.100 0.003 0.000 0.933 1005 R CB 1.060 31.352 30.300 -0.014 0.000 1.146 1005 R HN 0.483 nan 8.270 nan 0.000 0.468 1006 M N 5.177 124.821 119.600 0.073 0.000 2.263 1006 M HA 0.468 4.948 4.480 -0.000 0.000 0.295 1006 M C -0.881 175.431 176.300 0.021 0.000 1.028 1006 M CA -0.590 54.758 55.300 0.080 0.000 0.921 1006 M CB 1.895 34.567 32.600 0.120 0.000 1.601 1006 M HN 0.497 nan 8.290 nan 0.000 0.440 1007 I N 4.977 125.540 120.570 -0.012 0.000 2.418 1007 I HA 0.551 4.721 4.170 -0.000 0.000 0.287 1007 I C -0.782 175.306 176.117 -0.048 0.000 1.008 1007 I CA -0.508 60.773 61.300 -0.032 0.000 1.104 1007 I CB 1.776 39.747 38.000 -0.048 0.000 1.264 1007 I HN 0.564 nan 8.210 nan 0.000 0.438 1008 L N 4.771 125.979 121.223 -0.025 0.000 2.277 1008 L HA 0.461 4.801 4.340 -0.000 0.000 0.254 1008 L C -0.258 176.618 176.870 0.010 0.000 1.044 1008 L CA -0.987 53.843 54.840 -0.015 0.000 0.842 1008 L CB 2.203 44.269 42.059 0.011 0.000 1.422 1008 L HN 0.480 nan 8.230 nan 0.000 0.422 1009 N N 0.647 119.378 118.700 0.050 0.000 2.475 1009 N HA -0.011 4.729 4.740 -0.000 0.000 0.267 1009 N C 0.573 176.101 175.510 0.030 0.000 1.169 1009 N CA -0.080 53.003 53.050 0.055 0.000 0.947 1009 N CB 1.229 39.783 38.487 0.111 0.000 1.061 1009 N HN 0.588 nan 8.380 nan 0.000 0.466 1010 E N 1.657 121.865 120.200 0.012 0.000 2.110 1010 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 1010 E C -0.361 176.218 176.600 -0.035 0.000 0.988 1010 E CA 0.904 57.303 56.400 -0.002 0.000 0.804 1010 E CB 0.373 30.078 29.700 0.009 0.000 0.745 1010 E HN 0.519 nan 8.360 nan 0.000 0.458 1011 T N -0.037 114.484 114.554 -0.055 0.000 2.863 1011 T HA 0.754 5.104 4.350 -0.000 0.000 0.285 1011 T C -1.020 173.560 174.700 -0.198 0.000 1.009 1011 T CA -0.386 61.631 62.100 -0.139 0.000 0.989 1011 T CB 1.853 70.647 68.868 -0.122 0.000 1.004 1011 T HN 0.207 nan 8.240 nan 0.000 0.455 1012 A N 1.667 124.297 122.820 -0.316 0.000 2.515 1012 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 1012 A C -2.179 175.021 177.584 -0.639 0.000 1.059 1012 A CA -0.991 50.761 52.037 -0.475 0.000 0.698 1012 A CB 1.246 19.982 19.000 -0.440 0.000 1.289 1012 A HN 0.804 nan 8.150 nan 0.000 0.404 1013 W N 0.497 121.390 121.300 -0.678 0.000 2.666 1013 W HA 0.746 5.406 4.660 -0.000 0.000 0.334 1013 W C -0.952 175.224 176.519 -0.572 0.000 1.051 1013 W CA -0.120 56.988 57.345 -0.395 0.000 1.224 1013 W CB 1.746 31.085 29.460 -0.201 0.000 1.405 1013 W HN 0.523 nan 8.180 nan 0.000 0.513 1014 F N 1.630 121.651 119.950 0.118 0.000 2.576 1014 F HA 0.818 5.345 4.527 -0.000 0.000 0.313 1014 F C 0.716 176.577 175.800 0.103 0.000 1.078 1014 F CA -0.953 57.068 58.000 0.034 0.000 0.921 1014 F CB 2.295 41.244 39.000 -0.086 0.000 1.232 1014 F HN 0.530 nan 8.300 nan 0.000 0.459 1015 G N 1.600 110.554 108.800 0.258 0.000 2.742 1015 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.686 1015 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.686 1015 G C -1.172 173.803 174.900 0.125 0.000 1.220 1015 G CA -1.443 43.762 45.100 0.175 0.000 0.783 1015 G HN 0.624 nan 8.290 nan 0.000 0.646 1016 R N 0.723 121.276 120.500 0.088 0.000 2.955 1016 R HA 0.241 4.581 4.340 -0.000 0.000 0.334 1016 R C 1.566 177.893 176.300 0.044 0.000 0.778 1016 R CA 1.771 57.905 56.100 0.057 0.000 1.110 1016 R CB -0.488 29.838 30.300 0.043 0.000 0.889 1016 R HN 2.353 nan 8.270 nan 0.000 0.396 1017 G N 1.207 110.024 108.800 0.028 0.000 2.168 1017 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.197 1017 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.197 1017 G C 0.833 175.727 174.900 -0.011 0.000 0.997 1017 G CA 0.103 45.200 45.100 -0.004 0.000 0.658 1017 G HN 0.668 nan 8.290 nan 0.000 0.513 1018 A N 0.284 123.135 122.820 0.052 0.000 2.131 1018 A HA 0.220 4.540 4.320 -0.000 0.000 0.220 1018 A C 2.661 180.287 177.584 0.071 0.000 1.158 1018 A CA 2.930 55.036 52.037 0.115 0.000 0.665 1018 A CB -0.512 18.623 19.000 0.225 0.000 0.795 1018 A HN 1.681 nan 8.150 nan 0.000 0.460 1019 V N -2.392 117.485 119.914 -0.062 0.000 2.809 1019 V HA 0.024 4.144 4.120 -0.000 0.000 0.256 1019 V C 2.219 178.114 176.094 -0.332 0.000 1.080 1019 V CA 1.489 63.622 62.300 -0.278 0.000 1.102 1019 V CB -1.632 30.051 31.823 -0.234 0.000 0.705 1019 V HN 0.363 nan 8.190 nan 0.000 0.475 1020 G N 0.476 109.141 108.800 -0.226 0.000 2.450 1020 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 1020 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 1020 G C 1.501 176.222 174.900 -0.298 0.000 1.130 1020 G CA 0.908 45.872 45.100 -0.226 0.000 0.760 1020 G HN 0.900 nan 8.290 nan 0.000 0.557 1021 A N -0.264 122.308 122.820 -0.413 0.000 2.238 1021 A HA 0.429 4.749 4.320 -0.000 0.000 0.208 1021 A C 2.070 179.513 177.584 -0.235 0.000 1.177 1021 A CA 0.651 52.361 52.037 -0.545 0.000 0.804 1021 A CB -0.148 17.965 19.000 -1.479 0.000 0.823 1021 A HN 0.392 nan 8.150 nan 0.000 0.482 1022 L N 0.083 121.098 121.223 -0.347 0.000 1.993 1022 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 1022 L C 2.906 179.697 176.870 -0.131 0.000 1.074 1022 L CA 2.564 57.165 54.840 -0.397 0.000 0.746 1022 L CB -0.729 40.892 42.059 -0.730 0.000 0.896 1022 L HN 0.526 nan 8.230 nan 0.000 0.435 1023 T N -3.549 110.918 114.554 -0.146 0.000 2.760 1023 T HA -0.282 4.068 4.350 -0.000 0.000 0.269 1023 T C 1.730 176.400 174.700 -0.049 0.000 1.047 1023 T CA 1.779 63.839 62.100 -0.068 0.000 1.139 1023 T CB -0.772 68.054 68.868 -0.071 0.000 0.855 1023 T HN 0.445 nan 8.240 nan 0.000 0.471 1024 D N 0.934 121.294 120.400 -0.066 0.000 2.084 1024 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 1024 D C 2.370 178.665 176.300 -0.010 0.000 0.985 1024 D CA 1.172 55.147 54.000 -0.041 0.000 0.826 1024 D CB -0.056 40.707 40.800 -0.062 0.000 0.978 1024 D HN 0.463 nan 8.370 nan 0.000 0.456 1025 E N 0.787 121.015 120.200 0.048 0.000 2.035 1025 E HA -0.165 4.185 4.350 -0.000 0.000 0.204 1025 E C 2.496 179.044 176.600 -0.086 0.000 1.025 1025 E CA 0.618 57.057 56.400 0.064 0.000 0.835 1025 E CB -0.782 29.059 29.700 0.235 0.000 0.764 1025 E HN 0.153 nan 8.360 nan 0.000 0.457 1026 V N 1.852 121.716 119.914 -0.084 0.000 2.250 1026 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 1026 V C 2.440 178.380 176.094 -0.257 0.000 1.065 1026 V CA 2.352 64.513 62.300 -0.231 0.000 1.039 1026 V CB -0.532 31.249 31.823 -0.071 0.000 0.647 1026 V HN 0.261 nan 8.190 nan 0.000 0.446 1027 K N -0.556 119.770 120.400 -0.123 0.000 2.025 1027 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 1027 K C 2.358 178.893 176.600 -0.108 0.000 1.049 1027 K CA 1.319 57.552 56.287 -0.091 0.000 0.933 1027 K CB -0.269 32.205 32.500 -0.044 0.000 0.714 1027 K HN 0.370 nan 8.250 nan 0.000 0.438 1028 R N 0.823 121.265 120.500 -0.097 0.000 2.200 1028 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 1028 R C 1.159 177.374 176.300 -0.140 0.000 1.127 1028 R CA 1.106 57.155 56.100 -0.084 0.000 0.989 1028 R CB -0.014 30.265 30.300 -0.035 0.000 0.869 1028 R HN 0.249 nan 8.270 nan 0.000 0.459 1029 R N -0.746 119.595 120.500 -0.266 0.000 2.776 1029 R HA 0.149 4.489 4.340 -0.000 0.000 0.391 1029 R C 0.026 176.051 176.300 -0.459 0.000 1.116 1029 R CA 0.158 56.044 56.100 -0.357 0.000 1.056 1029 R CB 0.131 30.130 30.300 -0.502 0.000 1.369 1029 R HN 0.017 nan 8.270 nan 0.000 0.590 1030 G N 2.314 110.959 108.800 -0.258 0.000 2.113 1030 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 1030 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 1030 G C -0.315 174.554 174.900 -0.052 0.000 0.781 1030 G CA 0.612 45.628 45.100 -0.139 0.000 1.077 1030 G HN 0.390 nan 8.290 nan 0.000 0.396 1031 Y N -0.748 119.478 120.300 -0.124 0.000 2.330 1031 Y HA 0.381 4.931 4.550 -0.000 0.000 0.387 1031 Y C 1.578 177.493 175.900 0.026 0.000 1.365 1031 Y CA -0.706 57.324 58.100 -0.116 0.000 1.828 1031 Y CB 0.314 38.440 38.460 -0.555 0.000 1.696 1031 Y HN 0.285 nan 8.280 nan 0.000 0.616 1032 Q N -0.673 119.356 119.800 0.381 0.000 2.521 1032 Q HA 0.194 4.534 4.340 -0.000 0.000 0.215 1032 Q C -0.455 175.726 176.000 0.302 0.000 0.750 1032 Q CA 0.283 56.245 55.803 0.266 0.000 0.945 1032 Q CB 0.970 29.811 28.738 0.171 0.000 1.320 1032 Q HN 0.536 nan 8.270 nan 0.000 0.501 1033 K N 0.362 120.969 120.400 0.345 0.000 2.513 1033 K HA 0.701 5.021 4.320 -0.000 0.000 0.251 1033 K C -1.615 174.950 176.600 -0.060 0.000 0.939 1033 K CA -0.288 56.107 56.287 0.179 0.000 0.793 1033 K CB 2.219 34.747 32.500 0.046 0.000 1.241 1033 K HN 0.109 nan 8.250 nan 0.000 0.431 1034 A N 3.511 126.204 122.820 -0.211 0.000 2.306 1034 A HA 0.507 4.827 4.320 -0.000 0.000 0.314 1034 A C -1.141 176.356 177.584 -0.145 0.000 1.164 1034 A CA -0.654 51.012 52.037 -0.617 0.000 0.822 1034 A CB 0.678 19.391 19.000 -0.477 0.000 1.130 1034 A HN 0.614 nan 8.150 nan 0.000 0.496 1035 L N 3.653 124.827 121.223 -0.081 0.000 2.264 1035 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 1035 L C -0.935 175.977 176.870 0.071 0.000 1.039 1035 L CA -0.361 54.543 54.840 0.107 0.000 0.829 1035 L CB 0.416 42.656 42.059 0.302 0.000 1.211 1035 L HN 0.552 nan 8.230 nan 0.000 0.427 1036 I N 5.869 126.502 120.570 0.105 0.000 2.533 1036 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 1036 I C -0.155 176.017 176.117 0.092 0.000 1.109 1036 I CA 0.340 61.668 61.300 0.046 0.000 1.412 1036 I CB 1.115 39.113 38.000 -0.003 0.000 1.396 1036 I HN 0.259 nan 8.210 nan 0.000 0.543 1037 V N 6.982 126.933 119.914 0.062 0.000 2.326 1037 V HA 0.621 4.741 4.120 -0.000 0.000 0.281 1037 V C 0.120 176.229 176.094 0.024 0.000 1.015 1037 V CA -0.363 61.999 62.300 0.103 0.000 0.823 1037 V CB 0.687 32.577 31.823 0.112 0.000 1.009 1037 V HN 0.946 nan 8.190 nan 0.000 0.436 1038 T N 1.118 115.649 114.554 -0.037 0.000 2.618 1038 T HA 0.486 4.836 4.350 -0.000 0.000 0.286 1038 T C -1.109 173.515 174.700 -0.126 0.000 1.027 1038 T CA -0.870 61.187 62.100 -0.071 0.000 1.063 1038 T CB 1.604 70.429 68.868 -0.072 0.000 1.440 1038 T HN 0.428 nan 8.240 nan 0.000 0.505 1039 D N 0.143 120.488 120.400 -0.093 0.000 2.332 1039 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 1039 D C 0.830 177.075 176.300 -0.092 0.000 1.050 1039 D CA -0.594 53.352 54.000 -0.090 0.000 0.970 1039 D CB 1.897 42.668 40.800 -0.049 0.000 1.141 1039 D HN 0.443 nan 8.370 nan 0.000 0.485 1040 K N -0.263 120.087 120.400 -0.083 0.000 2.155 1040 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 1040 K C 1.709 178.285 176.600 -0.040 0.000 1.052 1040 K CA 0.919 57.170 56.287 -0.061 0.000 0.948 1040 K CB 0.170 32.640 32.500 -0.051 0.000 0.728 1040 K HN 0.309 nan 8.250 nan 0.000 0.448 1041 T N 1.693 116.226 114.554 -0.034 0.000 2.674 1041 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 1041 T C 1.529 176.213 174.700 -0.026 0.000 1.039 1041 T CA 0.935 63.021 62.100 -0.023 0.000 1.150 1041 T CB -0.119 68.739 68.868 -0.017 0.000 0.864 1041 T HN 0.030 nan 8.240 nan 0.000 0.427 1042 L N 1.043 122.246 121.223 -0.032 0.000 2.081 1042 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 1042 L C 2.608 179.452 176.870 -0.044 0.000 1.080 1042 L CA 1.241 56.059 54.840 -0.037 0.000 0.754 1042 L CB -1.444 40.590 42.059 -0.042 0.000 0.893 1042 L HN 0.156 nan 8.230 nan 0.000 0.433 1043 V N -0.804 119.083 119.914 -0.046 0.000 2.237 1043 V HA -0.314 3.806 4.120 -0.000 0.000 0.245 1043 V C 2.550 178.627 176.094 -0.028 0.000 1.046 1043 V CA 1.591 63.866 62.300 -0.041 0.000 1.007 1043 V CB -0.509 31.297 31.823 -0.030 0.000 0.638 1043 V HN 0.509 nan 8.190 nan 0.000 0.445 1044 Q N -1.242 118.545 119.800 -0.022 0.000 2.124 1044 Q HA -0.207 4.132 4.340 -0.000 0.000 0.202 1044 Q C 1.986 177.977 176.000 -0.015 0.000 0.977 1044 Q CA 1.712 57.507 55.803 -0.014 0.000 0.850 1044 Q CB -0.329 28.402 28.738 -0.012 0.000 0.901 1044 Q HN 0.589 nan 8.270 nan 0.000 0.429 1045 C N 0.851 120.139 119.300 -0.018 0.000 2.399 1045 C HA 0.169 4.629 4.460 -0.000 0.000 0.348 1045 C C 1.491 176.468 174.990 -0.022 0.000 1.318 1045 C CA 0.320 59.328 59.018 -0.017 0.000 1.621 1045 C CB -1.655 26.076 27.740 -0.015 0.000 1.683 1045 C HN 0.775 nan 8.230 nan 0.000 0.595 1046 G N 0.695 109.479 108.800 -0.025 0.000 2.200 1046 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 1046 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 1046 G C 0.659 175.532 174.900 -0.045 0.000 0.993 1046 G CA 0.910 45.991 45.100 -0.031 0.000 0.701 1046 G HN 0.453 nan 8.290 nan 0.000 0.524 1047 V N -0.569 119.316 119.914 -0.049 0.000 2.535 1047 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 1047 V C 2.740 178.783 176.094 -0.086 0.000 1.045 1047 V CA 1.549 63.815 62.300 -0.057 0.000 1.058 1047 V CB -0.305 31.492 31.823 -0.044 0.000 0.689 1047 V HN 0.279 nan 8.190 nan 0.000 0.461 1048 V N 0.804 120.658 119.914 -0.100 0.000 2.295 1048 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 1048 V C 2.877 178.853 176.094 -0.196 0.000 1.049 1048 V CA 1.995 64.201 62.300 -0.156 0.000 1.024 1048 V CB -1.212 30.515 31.823 -0.160 0.000 0.648 1048 V HN 0.530 nan 8.190 nan 0.000 0.447 1049 A N -0.118 122.612 122.820 -0.149 0.000 1.944 1049 A HA -0.394 3.926 4.320 -0.000 0.000 0.222 1049 A C 2.195 179.698 177.584 -0.135 0.000 1.237 1049 A CA 2.664 54.623 52.037 -0.129 0.000 0.668 1049 A CB -0.721 18.238 19.000 -0.067 0.000 0.830 1049 A HN 0.576 nan 8.150 nan 0.000 0.471 1050 K N -1.214 119.117 120.400 -0.116 0.000 2.293 1050 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 1050 K C 1.567 178.079 176.600 -0.147 0.000 1.045 1050 K CA 1.525 57.746 56.287 -0.110 0.000 0.933 1050 K CB -0.238 32.207 32.500 -0.093 0.000 0.736 1050 K HN 0.463 nan 8.250 nan 0.000 0.463 1051 V N -0.316 119.480 119.914 -0.198 0.000 3.013 1051 V HA -0.124 3.996 4.120 -0.000 0.000 0.238 1051 V C 2.310 178.221 176.094 -0.306 0.000 1.161 1051 V CA 1.504 63.657 62.300 -0.245 0.000 1.170 1051 V CB 0.317 31.980 31.823 -0.266 0.000 0.917 1051 V HN 0.406 nan 8.190 nan 0.000 0.478 1052 T N -1.776 112.526 114.554 -0.420 0.000 2.833 1052 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 1052 T C 1.401 175.972 174.700 -0.215 0.000 1.054 1052 T CA 1.782 63.528 62.100 -0.591 0.000 1.135 1052 T CB -0.391 67.942 68.868 -0.891 0.000 0.869 1052 T HN 0.360 nan 8.240 nan 0.000 0.466 1053 D N 1.605 121.923 120.400 -0.137 0.000 2.144 1053 D HA 0.007 4.647 4.640 -0.000 0.000 0.200 1053 D C 2.201 178.477 176.300 -0.040 0.000 0.978 1053 D CA 1.023 54.994 54.000 -0.047 0.000 0.833 1053 D CB -0.159 40.614 40.800 -0.045 0.000 0.961 1053 D HN 0.516 nan 8.370 nan 0.000 0.470 1054 K N -0.135 120.216 120.400 -0.082 0.000 2.148 1054 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 1054 K C 2.177 178.751 176.600 -0.044 0.000 1.050 1054 K CA 0.717 56.960 56.287 -0.073 0.000 0.942 1054 K CB -0.008 32.424 32.500 -0.113 0.000 0.724 1054 K HN 0.144 nan 8.250 nan 0.000 0.446 1055 M N 0.788 120.360 119.600 -0.047 0.000 2.200 1055 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 1055 M C 1.191 177.563 176.300 0.120 0.000 1.066 1055 M CA 1.276 56.595 55.300 0.032 0.000 1.127 1055 M CB -0.160 32.453 32.600 0.022 0.000 1.379 1055 M HN 0.028 nan 8.290 nan 0.000 0.420 1056 D N 1.059 121.548 120.400 0.148 0.000 2.084 1056 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 1056 D C 2.018 178.369 176.300 0.084 0.000 0.990 1056 D CA 1.789 55.888 54.000 0.166 0.000 0.826 1056 D CB -0.327 40.578 40.800 0.176 0.000 0.971 1056 D HN 0.320 nan 8.370 nan 0.000 0.453 1057 A N 0.687 123.536 122.820 0.048 0.000 1.972 1057 A HA 0.003 4.322 4.320 -0.000 0.000 0.219 1057 A C 2.170 179.766 177.584 0.020 0.000 1.169 1057 A CA 1.981 54.032 52.037 0.024 0.000 0.635 1057 A CB -0.533 18.469 19.000 0.003 0.000 0.810 1057 A HN 0.239 nan 8.150 nan 0.000 0.446 1058 A N -2.107 120.726 122.820 0.022 0.000 2.208 1058 A HA 0.413 4.733 4.320 -0.000 0.000 0.209 1058 A C 1.789 179.394 177.584 0.035 0.000 1.161 1058 A CA 1.217 53.265 52.037 0.017 0.000 0.782 1058 A CB -0.758 18.244 19.000 0.004 0.000 0.816 1058 A HN 1.862 nan 8.150 nan 0.000 0.477 1059 G N -1.232 107.601 108.800 0.054 0.000 2.157 1059 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.239 1059 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.239 1059 G C 0.039 174.990 174.900 0.084 0.000 0.982 1059 G CA 0.165 45.300 45.100 0.059 0.000 0.650 1059 G HN 0.479 nan 8.290 nan 0.000 0.527 1060 L N 0.775 122.071 121.223 0.122 0.000 2.349 1060 L HA 0.685 5.025 4.340 -0.000 0.000 0.275 1060 L C 0.988 177.993 176.870 0.225 0.000 1.115 1060 L CA -0.236 54.707 54.840 0.172 0.000 0.820 1060 L CB 1.257 43.435 42.059 0.199 0.000 1.135 1060 L HN 0.284 nan 8.230 nan 0.000 0.445 1061 A N 4.584 127.514 122.820 0.183 0.000 2.327 1061 A HA 0.653 4.973 4.320 -0.000 0.000 0.283 1061 A C -0.830 176.877 177.584 0.205 0.000 1.127 1061 A CA -0.419 51.683 52.037 0.108 0.000 0.810 1061 A CB 0.515 19.532 19.000 0.028 0.000 1.066 1061 A HN 0.825 nan 8.150 nan 0.000 0.492 1062 W N -0.033 121.271 121.300 0.006 0.000 3.217 1062 W HA 0.713 5.373 4.660 -0.000 0.000 0.323 1062 W C -0.818 175.686 176.519 -0.026 0.000 1.216 1062 W CA -0.664 56.666 57.345 -0.024 0.000 1.194 1062 W CB 1.081 30.528 29.460 -0.021 0.000 1.397 1062 W HN 0.981 nan 8.180 nan 0.000 0.537 1063 A N 3.465 126.389 122.820 0.174 0.000 2.387 1063 A HA 0.920 5.240 4.320 -0.000 0.000 0.303 1063 A C -1.773 176.019 177.584 0.346 0.000 1.145 1063 A CA -1.038 51.072 52.037 0.122 0.000 0.801 1063 A CB 2.352 21.350 19.000 -0.005 0.000 1.342 1063 A HN 0.845 nan 8.150 nan 0.000 0.440 1064 I N -0.178 120.574 120.570 0.303 0.000 2.582 1064 I HA 0.580 4.750 4.170 -0.000 0.000 0.292 1064 I C -2.005 174.263 176.117 0.250 0.000 1.066 1064 I CA -0.767 60.715 61.300 0.304 0.000 1.053 1064 I CB 1.905 40.138 38.000 0.388 0.000 1.241 1064 I HN 0.728 nan 8.210 nan 0.000 0.421 1065 Y N 7.246 127.602 120.300 0.092 0.000 2.326 1065 Y HA 0.423 4.973 4.550 -0.000 0.000 0.331 1065 Y C -0.480 175.447 175.900 0.045 0.000 0.962 1065 Y CA -1.004 57.133 58.100 0.063 0.000 1.167 1065 Y CB 1.086 39.581 38.460 0.057 0.000 1.148 1065 Y HN 0.652 nan 8.280 nan 0.000 0.463 1066 D N 1.961 122.085 120.400 -0.461 0.000 2.501 1066 D HA 0.170 4.810 4.640 -0.000 0.000 0.226 1066 D C 1.298 177.243 176.300 -0.592 0.000 1.198 1066 D CA 0.143 53.889 54.000 -0.423 0.000 0.830 1066 D CB 0.153 40.850 40.800 -0.172 0.000 1.014 1066 D HN 0.712 nan 8.370 nan 0.000 0.496 1067 G N 0.146 108.199 108.800 -1.244 0.000 3.124 1067 G HA2 0.167 4.127 3.960 -0.000 0.000 0.212 1067 G HA3 0.167 4.127 3.960 -0.000 0.000 0.212 1067 G C 0.398 175.111 174.900 -0.313 0.000 1.181 1067 G CA -0.186 44.527 45.100 -0.644 0.000 0.803 1067 G HN 0.213 nan 8.290 nan 0.000 0.529 1068 V N 0.698 120.418 119.914 -0.324 0.000 2.775 1068 V HA 0.416 4.536 4.120 -0.000 0.000 0.299 1068 V C 0.559 176.628 176.094 -0.040 0.000 1.062 1068 V CA -0.591 61.664 62.300 -0.076 0.000 1.063 1068 V CB 1.442 33.243 31.823 -0.038 0.000 0.994 1068 V HN 0.212 nan 8.190 nan 0.000 0.483 1069 V N 2.265 122.183 119.914 0.005 0.000 2.960 1069 V HA 0.723 4.843 4.120 -0.000 0.000 0.315 1069 V C -2.761 173.344 176.094 0.018 0.000 1.087 1069 V CA -2.890 59.416 62.300 0.010 0.000 0.982 1069 V CB 1.655 33.490 31.823 0.020 0.000 1.039 1069 V HN 0.687 nan 8.190 nan 0.000 0.437 1070 P HA 0.172 nan 4.420 nan 0.000 0.267 1070 P C -0.404 176.918 177.300 0.036 0.000 1.201 1070 P CA 0.464 63.583 63.100 0.033 0.000 0.775 1070 P CB -0.222 31.503 31.700 0.041 0.000 0.854 1071 N N -0.460 118.262 118.700 0.037 0.000 2.669 1071 N HA -0.176 4.564 4.740 -0.000 0.000 0.266 1071 N C -2.388 173.128 175.510 0.010 0.000 1.024 1071 N CA -0.000 53.065 53.050 0.025 0.000 0.766 1071 N CB -1.956 36.563 38.487 0.054 0.000 0.898 1071 N HN 0.412 nan 8.380 nan 0.000 0.548 1072 P HA -0.063 nan 4.420 nan 0.000 0.261 1072 P C 0.598 177.902 177.300 0.006 0.000 1.173 1072 P CA 0.404 63.513 63.100 0.015 0.000 0.760 1072 P CB 0.535 32.244 31.700 0.014 0.000 0.783 1073 T N 0.651 115.225 114.554 0.033 0.000 2.874 1073 T HA 0.288 4.638 4.350 -0.000 0.000 0.281 1073 T C 1.507 176.245 174.700 0.064 0.000 0.994 1073 T CA -0.627 61.501 62.100 0.046 0.000 1.015 1073 T CB 0.232 69.132 68.868 0.053 0.000 1.028 1073 T HN 0.171 nan 8.240 nan 0.000 0.523 1074 I N 1.374 122.002 120.570 0.097 0.000 2.145 1074 I HA -0.253 3.917 4.170 -0.000 0.000 0.244 1074 I C 3.010 179.174 176.117 0.078 0.000 1.075 1074 I CA 2.154 63.523 61.300 0.116 0.000 1.332 1074 I CB -1.048 37.039 38.000 0.145 0.000 1.033 1074 I HN 0.944 nan 8.210 nan 0.000 0.410 1075 T N -0.995 113.600 114.554 0.067 0.000 2.708 1075 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 1075 T C 1.890 176.625 174.700 0.058 0.000 1.037 1075 T CA 1.387 63.520 62.100 0.055 0.000 1.146 1075 T CB -1.112 67.786 68.868 0.050 0.000 0.865 1075 T HN 0.152 nan 8.240 nan 0.000 0.435 1076 V N 1.542 121.503 119.914 0.077 0.000 2.282 1076 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 1076 V C 2.951 179.090 176.094 0.076 0.000 1.057 1076 V CA 1.820 64.190 62.300 0.117 0.000 1.032 1076 V CB -0.784 31.111 31.823 0.121 0.000 0.645 1076 V HN 0.441 nan 8.190 nan 0.000 0.447 1077 V N -0.785 119.154 119.914 0.042 0.000 2.427 1077 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 1077 V C 2.385 178.455 176.094 -0.041 0.000 1.051 1077 V CA 1.840 64.138 62.300 -0.004 0.000 1.048 1077 V CB -0.654 31.180 31.823 0.017 0.000 0.666 1077 V HN 0.525 nan 8.190 nan 0.000 0.456 1078 K N -0.040 120.355 120.400 -0.008 0.000 2.001 1078 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 1078 K C 2.288 178.851 176.600 -0.061 0.000 1.048 1078 K CA 1.746 58.023 56.287 -0.015 0.000 0.932 1078 K CB -0.198 32.312 32.500 0.015 0.000 0.715 1078 K HN 0.531 nan 8.250 nan 0.000 0.437 1079 E N 0.260 120.421 120.200 -0.065 0.000 2.077 1079 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1079 E C 2.028 178.431 176.600 -0.327 0.000 0.989 1079 E CA 1.361 57.700 56.400 -0.101 0.000 0.800 1079 E CB -0.138 29.565 29.700 0.005 0.000 0.746 1079 E HN 0.372 nan 8.360 nan 0.000 0.452 1080 G N 1.712 110.169 108.800 -0.571 0.000 2.433 1080 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 1080 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 1080 G C 1.519 176.149 174.900 -0.449 0.000 1.186 1080 G CA 0.925 45.380 45.100 -1.075 0.000 0.779 1080 G HN 0.322 nan 8.290 nan 0.000 0.543 1081 L N 1.846 122.929 121.223 -0.234 0.000 1.997 1081 L HA -0.006 4.334 4.340 -0.000 0.000 0.216 1081 L C 2.851 179.720 176.870 -0.002 0.000 1.074 1081 L CA 2.675 57.469 54.840 -0.078 0.000 0.763 1081 L CB -1.190 40.836 42.059 -0.055 0.000 0.890 1081 L HN 0.213 nan 8.230 nan 0.000 0.434 1082 G N -0.941 107.827 108.800 -0.054 0.000 2.574 1082 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 1082 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 1082 G C 1.593 176.478 174.900 -0.024 0.000 1.173 1082 G CA 1.573 46.655 45.100 -0.031 0.000 0.772 1082 G HN 0.383 nan 8.290 nan 0.000 0.585 1083 V N 0.359 120.233 119.914 -0.067 0.000 2.287 1083 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 1083 V C 2.342 178.444 176.094 0.014 0.000 1.053 1083 V CA 2.084 64.367 62.300 -0.028 0.000 1.027 1083 V CB -0.648 31.153 31.823 -0.037 0.000 0.646 1083 V HN 0.410 nan 8.190 nan 0.000 0.447 1084 F N 0.995 120.883 119.950 -0.104 0.000 2.095 1084 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 1084 F C 2.524 178.290 175.800 -0.056 0.000 1.104 1084 F CA 2.121 60.076 58.000 -0.075 0.000 1.232 1084 F CB -0.362 38.584 39.000 -0.089 0.000 0.987 1084 F HN 0.162 nan 8.300 nan 0.000 0.475 1085 Q N -0.336 119.474 119.800 0.017 0.000 2.368 1085 Q HA -0.187 4.153 4.340 -0.000 0.000 0.210 1085 Q C 0.529 176.447 176.000 -0.137 0.000 0.982 1085 Q CA 1.471 57.236 55.803 -0.064 0.000 0.884 1085 Q CB -0.439 28.319 28.738 0.033 0.000 0.933 1085 Q HN 0.589 nan 8.270 nan 0.000 0.460 1086 N N -0.705 117.921 118.700 -0.123 0.000 2.467 1086 N HA 0.067 4.807 4.740 -0.000 0.000 0.278 1086 N C -0.301 175.138 175.510 -0.119 0.000 1.306 1086 N CA -0.089 52.901 53.050 -0.100 0.000 0.905 1086 N CB 0.941 39.395 38.487 -0.054 0.000 1.236 1086 N HN 0.058 nan 8.380 nan 0.000 0.509 1087 S N -2.312 113.275 115.700 -0.189 0.000 2.820 1087 S HA 0.243 4.713 4.470 -0.000 0.000 0.265 1087 S C 1.259 175.746 174.600 -0.187 0.000 1.043 1087 S CA 0.137 58.237 58.200 -0.167 0.000 1.245 1087 S CB 0.716 63.826 63.200 -0.150 0.000 1.187 1087 S HN 0.246 nan 8.310 nan 0.000 0.673 1088 G N 1.802 110.463 108.800 -0.232 0.000 2.168 1088 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.257 1088 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.257 1088 G C 0.387 175.154 174.900 -0.222 0.000 0.997 1088 G CA 0.062 45.047 45.100 -0.191 0.000 0.708 1088 G HN 1.469 nan 8.290 nan 0.000 0.520 1089 A N -0.432 122.153 122.820 -0.393 0.000 2.511 1089 A HA 0.504 4.823 4.320 -0.000 0.000 0.242 1089 A C 1.239 178.679 177.584 -0.240 0.000 1.069 1089 A CA 1.050 52.876 52.037 -0.351 0.000 0.763 1089 A CB 0.397 19.122 19.000 -0.458 0.000 1.001 1089 A HN 0.285 nan 8.150 nan 0.000 0.498 1090 D N -0.160 120.248 120.400 0.014 0.000 2.431 1090 D HA 0.125 4.765 4.640 -0.000 0.000 0.235 1090 D C -0.045 176.392 176.300 0.228 0.000 0.980 1090 D CA 1.506 55.603 54.000 0.162 0.000 0.912 1090 D CB 0.221 41.216 40.800 0.324 0.000 1.056 1090 D HN 0.643 nan 8.370 nan 0.000 0.494 1091 Y N -0.489 119.815 120.300 0.007 0.000 2.689 1091 Y HA 0.549 5.098 4.550 -0.000 0.000 0.333 1091 Y C -1.285 174.652 175.900 0.061 0.000 1.190 1091 Y CA -1.686 56.342 58.100 -0.121 0.000 1.063 1091 Y CB 0.569 38.699 38.460 -0.550 0.000 1.294 1091 Y HN -0.186 nan 8.280 nan 0.000 0.466 1092 L N 1.198 122.408 121.223 -0.021 0.000 2.365 1092 L HA 0.753 5.093 4.340 -0.000 0.000 0.273 1092 L C -1.140 175.732 176.870 0.004 0.000 1.000 1092 L CA -1.111 53.674 54.840 -0.091 0.000 0.819 1092 L CB 2.277 44.271 42.059 -0.107 0.000 1.284 1092 L HN 0.683 nan 8.230 nan 0.000 0.418 1093 I N 2.607 123.155 120.570 -0.037 0.000 2.336 1093 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 1093 I C 0.324 176.446 176.117 0.009 0.000 0.991 1093 I CA -0.367 60.952 61.300 0.031 0.000 1.227 1093 I CB 1.861 39.862 38.000 0.002 0.000 1.366 1093 I HN 0.817 nan 8.210 nan 0.000 0.466 1094 A N 8.272 131.110 122.820 0.031 0.000 2.258 1094 A HA 0.774 5.093 4.320 -0.000 0.000 0.316 1094 A C -0.570 177.025 177.584 0.018 0.000 1.279 1094 A CA -0.377 51.671 52.037 0.019 0.000 0.876 1094 A CB 0.224 19.236 19.000 0.020 0.000 1.170 1094 A HN 0.680 nan 8.150 nan 0.000 0.520 1095 I N 2.354 122.919 120.570 -0.008 0.000 2.406 1095 I HA 0.737 4.907 4.170 -0.000 0.000 0.290 1095 I C 0.668 176.779 176.117 -0.010 0.000 0.999 1095 I CA 0.176 61.465 61.300 -0.018 0.000 1.124 1095 I CB 2.009 39.973 38.000 -0.059 0.000 1.289 1095 I HN 0.996 nan 8.210 nan 0.000 0.441 1096 G N 3.340 112.144 108.800 0.006 0.000 2.347 1096 G HA2 0.293 4.253 3.960 -0.000 0.000 0.341 1096 G HA3 0.293 4.253 3.960 -0.000 0.000 0.341 1096 G C -0.343 174.576 174.900 0.031 0.000 1.287 1096 G CA -0.467 44.639 45.100 0.010 0.000 0.984 1096 G HN 0.884 nan 8.290 nan 0.000 0.526 1097 G N -0.921 107.899 108.800 0.034 0.000 2.481 1097 G HA2 0.527 4.487 3.960 -0.000 0.000 0.251 1097 G HA3 0.527 4.487 3.960 -0.000 0.000 0.251 1097 G C 1.604 176.534 174.900 0.051 0.000 1.492 1097 G CA 0.729 45.860 45.100 0.051 0.000 1.060 1097 G HN 1.864 nan 8.290 nan 0.000 0.553 1098 G N -0.928 107.906 108.800 0.056 0.000 2.448 1098 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.219 1098 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.219 1098 G C 1.994 176.910 174.900 0.027 0.000 1.127 1098 G CA 1.484 46.611 45.100 0.046 0.000 0.766 1098 G HN 0.477 nan 8.290 nan 0.000 0.552 1099 S N 1.268 116.982 115.700 0.025 0.000 2.345 1099 S HA -0.032 4.438 4.470 -0.000 0.000 0.219 1099 S C 0.077 174.686 174.600 0.016 0.000 1.031 1099 S CA 1.369 59.580 58.200 0.017 0.000 0.984 1099 S CB -0.570 62.642 63.200 0.020 0.000 0.874 1099 S HN 0.334 nan 8.310 nan 0.000 0.451 1100 P HA -0.027 nan 4.420 nan 0.000 0.221 1100 P C 1.176 178.481 177.300 0.008 0.000 1.150 1100 P CA 0.998 64.107 63.100 0.014 0.000 0.800 1100 P CB -0.070 31.632 31.700 0.003 0.000 0.787 1101 Q N -0.150 119.656 119.800 0.010 0.000 2.046 1101 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 1101 Q C 1.728 177.711 176.000 -0.028 0.000 0.975 1101 Q CA 1.507 57.312 55.803 0.004 0.000 0.836 1101 Q CB -0.547 28.209 28.738 0.029 0.000 0.896 1101 Q HN 0.225 nan 8.270 nan 0.000 0.428 1102 D N -0.145 120.250 120.400 -0.007 0.000 2.144 1102 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 1102 D C 1.793 178.031 176.300 -0.103 0.000 0.984 1102 D CA 1.336 55.330 54.000 -0.011 0.000 0.834 1102 D CB -0.216 40.618 40.800 0.057 0.000 0.955 1102 D HN 0.164 nan 8.370 nan 0.000 0.465 1103 T N -0.503 114.017 114.554 -0.056 0.000 2.821 1103 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 1103 T C 2.152 176.780 174.700 -0.121 0.000 1.046 1103 T CA 0.956 63.022 62.100 -0.057 0.000 1.139 1103 T CB -0.609 68.281 68.868 0.036 0.000 0.871 1103 T HN 0.291 nan 8.240 nan 0.000 0.454 1104 C N 1.977 121.214 119.300 -0.105 0.000 2.432 1104 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 1104 C C 2.631 177.476 174.990 -0.243 0.000 1.249 1104 C CA 0.771 59.707 59.018 -0.137 0.000 1.725 1104 C CB -0.907 26.787 27.740 -0.076 0.000 2.028 1104 C HN 0.522 nan 8.230 nan 0.000 0.477 1105 K N 0.978 121.197 120.400 -0.301 0.000 2.032 1105 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 1105 K C 2.343 178.551 176.600 -0.654 0.000 1.048 1105 K CA 1.594 57.612 56.287 -0.449 0.000 0.927 1105 K CB -0.592 31.615 32.500 -0.489 0.000 0.712 1105 K HN 0.571 nan 8.250 nan 0.000 0.441 1106 A N 2.086 124.431 122.820 -0.792 0.000 1.869 1106 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1106 A C 2.263 179.663 177.584 -0.306 0.000 1.203 1106 A CA 1.788 53.486 52.037 -0.565 0.000 0.638 1106 A CB -0.859 17.966 19.000 -0.291 0.000 0.831 1106 A HN 0.209 nan 8.150 nan 0.000 0.450 1107 I N -0.287 120.116 120.570 -0.279 0.000 2.091 1107 I HA -0.257 3.913 4.170 -0.000 0.000 0.239 1107 I C 2.760 178.667 176.117 -0.350 0.000 1.061 1107 I CA 1.456 62.586 61.300 -0.284 0.000 1.317 1107 I CB -0.838 36.971 38.000 -0.320 0.000 1.031 1107 I HN 0.398 nan 8.210 nan 0.000 0.401 1108 G N 1.011 109.582 108.800 -0.382 0.000 2.469 1108 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 1108 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 1108 G C 1.619 176.398 174.900 -0.203 0.000 1.136 1108 G CA 0.706 45.606 45.100 -0.334 0.000 0.759 1108 G HN 0.229 nan 8.290 nan 0.000 0.562 1109 I N 0.664 121.128 120.570 -0.178 0.000 2.193 1109 I HA -0.003 4.167 4.170 -0.000 0.000 0.240 1109 I C 2.815 178.911 176.117 -0.035 0.000 1.084 1109 I CA 0.876 62.120 61.300 -0.092 0.000 1.365 1109 I CB -0.810 37.142 38.000 -0.078 0.000 1.064 1109 I HN 0.159 nan 8.210 nan 0.000 0.410 1110 I N 0.171 120.722 120.570 -0.030 0.000 2.315 1110 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 1110 I C 2.557 178.700 176.117 0.044 0.000 1.117 1110 I CA 1.073 62.406 61.300 0.056 0.000 1.404 1110 I CB -0.362 37.675 38.000 0.062 0.000 1.071 1110 I HN 0.129 nan 8.210 nan 0.000 0.419 1111 S N 0.301 115.993 115.700 -0.013 0.000 2.547 1111 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 1111 S C 1.458 176.087 174.600 0.047 0.000 0.980 1111 S CA 1.446 59.664 58.200 0.030 0.000 0.941 1111 S CB -0.502 62.695 63.200 -0.006 0.000 0.763 1111 S HN 0.523 nan 8.310 nan 0.000 0.532 1112 N N -0.149 118.564 118.700 0.023 0.000 2.382 1112 N HA 0.173 4.913 4.740 -0.000 0.000 0.200 1112 N C -0.596 174.942 175.510 0.046 0.000 1.122 1112 N CA -0.061 53.003 53.050 0.025 0.000 0.870 1112 N CB 0.361 38.842 38.487 -0.009 0.000 1.176 1112 N HN 0.234 nan 8.380 nan 0.000 0.474 1113 N N 1.941 120.696 118.700 0.092 0.000 3.112 1113 N HA 0.191 4.931 4.740 -0.000 0.000 0.270 1113 N C -2.255 173.385 175.510 0.216 0.000 1.385 1113 N CA -1.060 52.110 53.050 0.199 0.000 0.986 1113 N CB 1.403 40.101 38.487 0.351 0.000 1.261 1113 N HN 0.131 nan 8.380 nan 0.000 0.495 1114 P HA -0.121 nan 4.420 nan 0.000 0.223 1114 P C 0.979 178.294 177.300 0.024 0.000 1.144 1114 P CA 1.055 64.194 63.100 0.065 0.000 0.783 1114 P CB 0.467 32.185 31.700 0.030 0.000 0.771 1115 E N -0.831 119.341 120.200 -0.047 0.000 2.136 1115 E HA -0.216 4.134 4.350 -0.000 0.000 0.208 1115 E C 0.444 176.811 176.600 -0.388 0.000 1.035 1115 E CA 1.375 57.593 56.400 -0.304 0.000 0.838 1115 E CB -0.738 28.631 29.700 -0.552 0.000 0.748 1115 E HN 0.383 nan 8.360 nan 0.000 0.459 1116 F N -0.494 119.470 119.950 0.022 0.000 2.819 1116 F HA 0.422 4.949 4.527 -0.000 0.000 0.294 1116 F C 1.301 177.121 175.800 0.033 0.000 1.166 1116 F CA -0.176 57.843 58.000 0.031 0.000 1.374 1116 F CB -0.043 38.989 39.000 0.052 0.000 0.956 1116 F HN -0.073 nan 8.300 nan 0.000 0.509 1117 A N 0.281 123.184 122.820 0.139 0.000 2.285 1117 A HA -0.235 4.085 4.320 -0.000 0.000 0.214 1117 A C 2.017 179.657 177.584 0.094 0.000 1.188 1117 A CA 1.988 54.084 52.037 0.099 0.000 0.707 1117 A CB -0.719 18.311 19.000 0.051 0.000 0.771 1117 A HN 0.515 nan 8.150 nan 0.000 0.488 1118 D N -2.154 118.317 120.400 0.118 0.000 2.338 1118 D HA 0.053 4.693 4.640 -0.000 0.000 0.224 1118 D C 0.801 177.176 176.300 0.126 0.000 0.967 1118 D CA 1.365 55.423 54.000 0.096 0.000 0.896 1118 D CB 0.013 40.851 40.800 0.063 0.000 1.028 1118 D HN 0.477 nan 8.370 nan 0.000 0.493 1119 V N -0.902 119.119 119.914 0.179 0.000 2.792 1119 V HA -0.267 3.853 4.120 -0.000 0.000 0.173 1119 V C 1.579 177.800 176.094 0.211 0.000 1.437 1119 V CA 1.315 63.756 62.300 0.236 0.000 1.903 1119 V CB -1.948 30.023 31.823 0.246 0.000 1.310 1119 V HN 0.274 nan 8.190 nan 0.000 1.136 1120 R N 0.903 121.415 120.500 0.019 0.000 2.121 1120 R HA 0.190 4.530 4.340 -0.000 0.000 0.206 1120 R C 1.334 177.573 176.300 -0.102 0.000 1.094 1120 R CA 0.875 56.813 56.100 -0.270 0.000 1.055 1120 R CB 0.099 30.242 30.300 -0.261 0.000 0.964 1120 R HN 0.687 nan 8.270 nan 0.000 0.473 1121 S N 1.354 117.087 115.700 0.055 0.000 3.355 1121 S HA 0.125 4.595 4.470 -0.000 0.000 0.293 1121 S C 0.438 175.236 174.600 0.330 0.000 1.197 1121 S CA 0.133 58.453 58.200 0.200 0.000 1.117 1121 S CB 0.549 63.890 63.200 0.235 0.000 1.587 1121 S HN 0.297 nan 8.310 nan 0.000 0.536 1122 L N 0.196 121.486 121.223 0.111 0.000 4.718 1122 L HA 0.210 4.550 4.340 -0.000 0.000 0.563 1122 L C 0.109 176.967 176.870 -0.020 0.000 0.665 1122 L CA 0.392 55.198 54.840 -0.056 0.000 2.346 1122 L CB -0.763 41.297 42.059 0.002 0.000 1.882 1122 L HN 0.676 nan 8.230 nan 0.000 0.511 1123 E N 0.114 120.332 120.200 0.030 0.000 2.425 1123 E HA 0.410 4.760 4.350 -0.000 0.000 0.258 1123 E C 1.122 177.720 176.600 -0.004 0.000 1.151 1123 E CA 1.039 57.471 56.400 0.054 0.000 0.958 1123 E CB 0.369 30.072 29.700 0.004 0.000 0.968 1123 E HN 0.398 nan 8.360 nan 0.000 0.451 1124 G N 1.663 110.462 108.800 -0.002 0.000 2.566 1124 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 1124 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 1124 G C -0.165 174.712 174.900 -0.038 0.000 1.225 1124 G CA 0.001 45.094 45.100 -0.011 0.000 0.966 1124 G HN 0.573 nan 8.290 nan 0.000 0.560 1125 L N 1.751 122.963 121.223 -0.019 0.000 2.448 1125 L HA 0.260 4.599 4.340 -0.000 0.000 0.278 1125 L C 0.830 177.688 176.870 -0.020 0.000 1.201 1125 L CA -0.189 54.637 54.840 -0.023 0.000 1.036 1125 L CB -0.080 41.976 42.059 -0.006 0.000 1.325 1125 L HN 0.456 nan 8.230 nan 0.000 0.441 1126 S N 4.721 120.386 115.700 -0.058 0.000 2.670 1126 S HA 0.039 4.509 4.470 -0.000 0.000 0.308 1126 S C -1.659 172.926 174.600 -0.025 0.000 1.232 1126 S CA -0.736 57.403 58.200 -0.101 0.000 1.126 1126 S CB 0.094 63.174 63.200 -0.201 0.000 0.897 1126 S HN 0.412 nan 8.310 nan 0.000 0.508 1127 P HA 0.056 nan 4.420 nan 0.000 0.232 1127 P C 0.070 177.540 177.300 0.283 0.000 1.738 1127 P CA -0.221 62.986 63.100 0.179 0.000 0.948 1127 P CB -1.102 30.734 31.700 0.228 0.000 1.943 1128 T N -2.063 112.590 114.554 0.166 0.000 2.856 1128 T HA 0.253 4.603 4.350 -0.000 0.000 0.292 1128 T C 1.054 175.873 174.700 0.199 0.000 0.980 1128 T CA -0.656 61.561 62.100 0.195 0.000 1.091 1128 T CB 0.891 69.786 68.868 0.045 0.000 0.936 1128 T HN -0.050 nan 8.240 nan 0.000 0.503 1129 N N 1.561 120.330 118.700 0.116 0.000 2.422 1129 N HA 0.069 4.809 4.740 -0.000 0.000 0.181 1129 N C -0.311 175.090 175.510 -0.182 0.000 1.080 1129 N CA 0.444 53.515 53.050 0.036 0.000 0.893 1129 N CB 0.202 38.725 38.487 0.060 0.000 0.973 1129 N HN 0.510 nan 8.380 nan 0.000 0.456 1130 K N 0.673 120.825 120.400 -0.414 0.000 2.535 1130 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 1130 K C -2.742 173.491 176.600 -0.612 0.000 0.942 1130 K CA -1.991 54.039 56.287 -0.428 0.000 0.798 1130 K CB 2.367 34.779 32.500 -0.146 0.000 1.267 1130 K HN -0.156 nan 8.250 nan 0.000 0.434 1131 P HA -0.081 nan 4.420 nan 0.000 0.264 1131 P C 0.227 177.501 177.300 -0.044 0.000 1.183 1131 P CA 0.188 63.239 63.100 -0.082 0.000 0.763 1131 P CB 0.572 32.322 31.700 0.082 0.000 0.807 1132 S N 2.617 118.323 115.700 0.011 0.000 2.566 1132 S HA 0.036 4.506 4.470 -0.000 0.000 0.280 1132 S C 0.420 175.000 174.600 -0.033 0.000 1.343 1132 S CA -0.630 57.552 58.200 -0.030 0.000 1.036 1132 S CB -0.059 63.118 63.200 -0.039 0.000 0.866 1132 S HN 0.241 nan 8.310 nan 0.000 0.526 1133 V N 6.695 126.570 119.914 -0.066 0.000 2.726 1133 V HA 0.061 4.181 4.120 -0.000 0.000 0.304 1133 V C -1.661 174.401 176.094 -0.054 0.000 1.115 1133 V CA -0.739 61.527 62.300 -0.056 0.000 1.264 1133 V CB -0.651 31.097 31.823 -0.126 0.000 0.867 1133 V HN 0.804 nan 8.190 nan 0.000 0.498 1134 P HA 0.119 nan 4.420 nan 0.000 0.261 1134 P C -0.410 176.897 177.300 0.011 0.000 1.183 1134 P CA 0.371 63.457 63.100 -0.023 0.000 0.761 1134 P CB 0.539 32.162 31.700 -0.128 0.000 0.785 1135 I N 3.801 124.402 120.570 0.052 0.000 2.389 1135 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 1135 I C -1.162 175.050 176.117 0.158 0.000 0.999 1135 I CA -1.396 59.949 61.300 0.076 0.000 1.129 1135 I CB 1.071 39.072 38.000 0.002 0.000 1.288 1135 I HN -0.036 nan 8.210 nan 0.000 0.444 1136 L N 7.987 129.355 121.223 0.242 0.000 2.260 1136 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 1136 L C 0.372 177.397 176.870 0.259 0.000 1.057 1136 L CA -0.147 54.885 54.840 0.320 0.000 0.811 1136 L CB 0.745 43.074 42.059 0.450 0.000 1.184 1136 L HN 0.697 nan 8.230 nan 0.000 0.429 1137 A N 5.792 128.758 122.820 0.245 0.000 2.292 1137 A HA 0.838 5.158 4.320 -0.000 0.000 0.319 1137 A C -0.259 177.466 177.584 0.234 0.000 1.206 1137 A CA -0.344 51.802 52.037 0.182 0.000 0.835 1137 A CB 0.416 19.487 19.000 0.119 0.000 1.164 1137 A HN 0.625 nan 8.150 nan 0.000 0.505 1138 I N 4.457 125.121 120.570 0.157 0.000 2.583 1138 I HA 0.258 4.428 4.170 -0.000 0.000 0.276 1138 I C -2.475 173.694 176.117 0.086 0.000 1.089 1138 I CA -1.864 59.517 61.300 0.135 0.000 1.103 1138 I CB 2.119 40.152 38.000 0.056 0.000 1.209 1138 I HN 0.434 nan 8.210 nan 0.000 0.484 1139 P HA 0.097 nan 4.420 nan 0.000 0.271 1139 P C 0.604 177.945 177.300 0.068 0.000 1.216 1139 P CA 0.015 63.169 63.100 0.090 0.000 0.771 1139 P CB 1.028 32.802 31.700 0.122 0.000 0.864 1140 T N -2.038 112.548 114.554 0.053 0.000 3.092 1140 T HA 0.166 4.516 4.350 -0.000 0.000 0.258 1140 T C 0.579 175.308 174.700 0.049 0.000 1.031 1140 T CA -0.091 62.033 62.100 0.040 0.000 0.925 1140 T CB -0.618 68.261 68.868 0.018 0.000 1.036 1140 T HN 0.536 nan 8.240 nan 0.000 0.544 1141 T N -1.166 113.428 114.554 0.067 0.000 2.916 1141 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 1141 T C -0.136 174.620 174.700 0.093 0.000 1.055 1141 T CA -0.719 61.425 62.100 0.073 0.000 1.009 1141 T CB 1.879 70.792 68.868 0.075 0.000 1.118 1141 T HN 0.165 nan 8.240 nan 0.000 0.497 1142 A N 0.925 123.797 122.820 0.087 0.000 3.215 1142 A HA 0.772 5.092 4.320 -0.000 0.000 0.269 1142 A C 0.817 178.465 177.584 0.107 0.000 1.517 1142 A CA 0.096 52.192 52.037 0.099 0.000 1.221 1142 A CB -1.126 17.918 19.000 0.073 0.000 1.160 1142 A HN 1.434 nan 8.150 nan 0.000 0.620 1143 G N -1.225 107.659 108.800 0.140 0.000 3.046 1143 G HA2 0.347 4.307 3.960 -0.000 0.000 0.137 1143 G HA3 0.347 4.307 3.960 -0.000 0.000 0.137 1143 G C 0.735 175.784 174.900 0.249 0.000 1.207 1143 G CA 0.771 45.969 45.100 0.165 0.000 1.218 1143 G HN 0.317 nan 8.290 nan 0.000 0.625 1144 T N 1.042 115.766 114.554 0.283 0.000 6.399 1144 T HA -0.329 4.021 4.350 -0.000 0.000 0.250 1144 T C 2.010 176.892 174.700 0.303 0.000 1.385 1144 T CA 4.954 67.234 62.100 0.300 0.000 1.608 1144 T CB -1.134 67.835 68.868 0.168 0.000 1.786 1144 T HN 2.658 nan 8.240 nan 0.000 0.792 1145 A N -0.366 122.592 122.820 0.231 0.000 2.945 1145 A HA -0.041 4.279 4.320 -0.000 0.000 0.251 1145 A C 1.730 179.353 177.584 0.066 0.000 1.355 1145 A CA 1.556 53.692 52.037 0.165 0.000 0.905 1145 A CB -2.119 17.009 19.000 0.213 0.000 1.104 1145 A HN 1.801 nan 8.150 nan 0.000 0.733 1146 A N 0.498 123.371 122.820 0.088 0.000 2.076 1146 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 1146 A C 1.823 179.424 177.584 0.027 0.000 1.160 1146 A CA 1.877 53.944 52.037 0.050 0.000 0.653 1146 A CB -0.472 18.566 19.000 0.063 0.000 0.801 1146 A HN 1.270 nan 8.150 nan 0.000 0.455 1147 E N -0.391 119.843 120.200 0.057 0.000 2.333 1147 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 1147 E C 1.348 177.969 176.600 0.034 0.000 1.007 1147 E CA 1.597 58.044 56.400 0.078 0.000 0.845 1147 E CB -0.279 29.514 29.700 0.155 0.000 0.766 1147 E HN 0.442 nan 8.360 nan 0.000 0.507 1148 V N 1.154 121.017 119.914 -0.085 0.000 3.426 1148 V HA 0.038 4.158 4.120 -0.000 0.000 0.279 1148 V C 0.586 176.540 176.094 -0.233 0.000 1.544 1148 V CA 0.777 62.959 62.300 -0.198 0.000 1.017 1148 V CB 0.768 32.250 31.823 -0.569 0.000 0.821 1148 V HN 0.432 nan 8.190 nan 0.000 0.432 1149 T N -0.677 113.742 114.554 -0.225 0.000 2.899 1149 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 1149 T C 0.760 175.370 174.700 -0.150 0.000 1.004 1149 T CA 0.119 62.045 62.100 -0.290 0.000 1.043 1149 T CB 1.376 70.028 68.868 -0.360 0.000 1.013 1149 T HN 0.430 nan 8.240 nan 0.000 0.518 1150 I N -0.876 119.605 120.570 -0.148 0.000 3.858 1150 I HA 0.380 4.550 4.170 -0.000 0.000 0.325 1150 I C -0.436 175.666 176.117 -0.024 0.000 1.403 1150 I CA -1.049 60.213 61.300 -0.064 0.000 1.169 1150 I CB -1.087 36.868 38.000 -0.075 0.000 1.077 1150 I HN 0.640 nan 8.210 nan 0.000 0.403 1151 N N 0.646 119.335 118.700 -0.019 0.000 2.329 1151 N HA 0.628 5.368 4.740 -0.000 0.000 0.282 1151 N C -0.988 174.562 175.510 0.067 0.000 1.198 1151 N CA -0.790 52.231 53.050 -0.047 0.000 0.790 1151 N CB 1.326 39.760 38.487 -0.088 0.000 1.579 1151 N HN 0.240 nan 8.380 nan 0.000 0.475 1152 Y N -1.727 118.540 120.300 -0.054 0.000 2.609 1152 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 1152 Y C -0.977 174.848 175.900 -0.126 0.000 1.058 1152 Y CA -1.635 56.419 58.100 -0.075 0.000 1.055 1152 Y CB 0.886 39.301 38.460 -0.076 0.000 1.292 1152 Y HN 0.519 nan 8.280 nan 0.000 0.476 1153 V N 0.550 120.427 119.914 -0.063 0.000 2.789 1153 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 1153 V C -1.306 174.583 176.094 -0.341 0.000 1.073 1153 V CA -0.825 61.296 62.300 -0.299 0.000 0.921 1153 V CB 1.841 33.469 31.823 -0.324 0.000 1.009 1153 V HN 0.766 nan 8.190 nan 0.000 0.426 1154 I N 2.191 122.312 120.570 -0.748 0.000 2.689 1154 I HA 0.529 4.699 4.170 -0.000 0.000 0.299 1154 I C 0.258 175.966 176.117 -0.682 0.000 1.059 1154 I CA -0.272 60.621 61.300 -0.677 0.000 1.055 1154 I CB 2.408 40.027 38.000 -0.634 0.000 1.243 1154 I HN 0.783 nan 8.210 nan 0.000 0.425 1155 T N 2.998 117.410 114.554 -0.235 0.000 2.728 1155 T HA 0.117 4.467 4.350 -0.000 0.000 0.296 1155 T C -0.027 174.754 174.700 0.136 0.000 0.940 1155 T CA -0.263 61.814 62.100 -0.039 0.000 1.013 1155 T CB 0.442 69.314 68.868 0.008 0.000 0.912 1155 T HN 0.342 nan 8.240 nan 0.000 0.484 1156 D N 3.326 123.930 120.400 0.341 0.000 2.435 1156 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 1156 D C 1.239 177.621 176.300 0.137 0.000 1.215 1156 D CA -0.359 53.823 54.000 0.303 0.000 0.947 1156 D CB 0.493 41.473 40.800 0.299 0.000 1.048 1156 D HN 0.352 nan 8.370 nan 0.000 0.512 1157 E N 2.397 122.651 120.200 0.090 0.000 2.171 1157 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 1157 E C 1.253 177.862 176.600 0.016 0.000 0.997 1157 E CA 1.013 57.435 56.400 0.037 0.000 0.810 1157 E CB 0.288 30.005 29.700 0.028 0.000 0.738 1157 E HN 0.536 nan 8.360 nan 0.000 0.467 1158 E N 0.849 121.067 120.200 0.030 0.000 2.000 1158 E HA -0.111 4.239 4.350 -0.000 0.000 0.199 1158 E C 1.401 177.999 176.600 -0.002 0.000 1.011 1158 E CA 1.299 57.705 56.400 0.010 0.000 0.836 1158 E CB -0.146 29.563 29.700 0.014 0.000 0.778 1158 E HN 0.103 nan 8.360 nan 0.000 0.462 1159 K N 1.493 121.901 120.400 0.014 0.000 2.589 1159 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 1159 K C -0.510 176.104 176.600 0.023 0.000 1.029 1159 K CA -0.117 56.176 56.287 0.011 0.000 1.177 1159 K CB -0.400 32.107 32.500 0.011 0.000 0.902 1159 K HN 0.155 nan 8.250 nan 0.000 0.501 1160 R N 1.888 122.385 120.500 -0.005 0.000 3.701 1160 R HA -0.246 4.094 4.340 -0.000 0.000 0.137 1160 R C -1.190 175.166 176.300 0.094 0.000 0.381 1160 R CA 0.825 56.920 56.100 -0.008 0.000 0.700 1160 R CB -1.093 29.116 30.300 -0.152 0.000 1.380 1160 R HN 0.325 nan 8.270 nan 0.000 0.416 1161 R N 1.342 121.941 120.500 0.164 0.000 2.563 1161 R HA 0.289 4.629 4.340 -0.000 0.000 0.262 1161 R C -1.568 174.880 176.300 0.247 0.000 1.128 1161 R CA -1.294 54.942 56.100 0.227 0.000 0.969 1161 R CB 0.965 31.400 30.300 0.225 0.000 1.251 1161 R HN 0.260 nan 8.270 nan 0.000 0.442 1162 K N 2.972 123.467 120.400 0.160 0.000 2.383 1162 K HA 0.223 4.543 4.320 -0.000 0.000 0.286 1162 K C -0.883 175.722 176.600 0.008 0.000 1.051 1162 K CA -0.070 56.210 56.287 -0.011 0.000 0.974 1162 K CB 0.324 32.793 32.500 -0.052 0.000 0.968 1162 K HN 0.486 nan 8.250 nan 0.000 0.475 1163 F N 0.993 120.893 119.950 -0.083 0.000 2.579 1163 F HA 0.676 5.203 4.527 -0.000 0.000 0.324 1163 F C -0.838 174.874 175.800 -0.147 0.000 1.058 1163 F CA -1.431 56.518 58.000 -0.086 0.000 0.944 1163 F CB 0.823 39.802 39.000 -0.035 0.000 1.245 1163 F HN -0.008 nan 8.300 nan 0.000 0.477 1164 V N 1.439 121.364 119.914 0.019 0.000 2.459 1164 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 1164 V C -0.592 175.434 176.094 -0.114 0.000 1.029 1164 V CA -0.750 61.476 62.300 -0.125 0.000 0.874 1164 V CB 1.324 33.126 31.823 -0.035 0.000 0.985 1164 V HN 1.067 nan 8.190 nan 0.000 0.438 1165 C N 4.681 123.754 119.300 -0.377 0.000 2.329 1165 C HA 0.759 5.219 4.460 -0.000 0.000 0.329 1165 C C 0.135 174.827 174.990 -0.497 0.000 1.275 1165 C CA -0.750 57.955 59.018 -0.522 0.000 1.726 1165 C CB 0.852 27.954 27.740 -1.063 0.000 2.291 1165 C HN 0.635 nan 8.230 nan 0.000 0.514 1166 V N 3.259 123.017 119.914 -0.260 0.000 2.483 1166 V HA 0.648 4.768 4.120 -0.000 0.000 0.297 1166 V C -0.934 175.102 176.094 -0.097 0.000 1.027 1166 V CA 0.053 62.264 62.300 -0.150 0.000 0.855 1166 V CB 1.669 33.441 31.823 -0.085 0.000 0.995 1166 V HN 0.937 nan 8.190 nan 0.000 0.424 1167 D N 5.808 126.174 120.400 -0.056 0.000 2.484 1167 D HA 0.328 4.967 4.640 -0.000 0.000 0.206 1167 D C -2.398 173.886 176.300 -0.026 0.000 1.322 1167 D CA -1.129 52.856 54.000 -0.025 0.000 0.913 1167 D CB 2.935 43.755 40.800 0.033 0.000 1.559 1167 D HN 0.146 nan 8.370 nan 0.000 0.565 1168 P HA -0.072 nan 4.420 nan 0.000 0.223 1168 P C 0.760 178.003 177.300 -0.095 0.000 1.144 1168 P CA 1.029 64.055 63.100 -0.122 0.000 0.783 1168 P CB 0.065 31.653 31.700 -0.187 0.000 0.771 1169 H N -0.842 118.234 119.070 0.010 0.000 2.521 1169 H HA -0.121 4.435 4.556 -0.000 0.000 0.286 1169 H C 1.640 176.973 175.328 0.009 0.000 1.034 1169 H CA 1.248 57.303 56.048 0.011 0.000 1.278 1169 H CB -0.250 29.517 29.762 0.010 0.000 1.386 1169 H HN 0.313 nan 8.280 nan 0.000 0.567 1170 D N 0.316 120.785 120.400 0.116 0.000 2.323 1170 D HA -0.085 4.555 4.640 -0.000 0.000 0.209 1170 D C 0.744 177.067 176.300 0.038 0.000 0.973 1170 D CA -0.213 53.832 54.000 0.074 0.000 0.874 1170 D CB -0.184 40.704 40.800 0.146 0.000 0.930 1170 D HN 0.204 nan 8.370 nan 0.000 0.521 1171 I N 1.592 122.183 120.570 0.034 0.000 2.845 1171 I HA 0.054 4.224 4.170 -0.000 0.000 0.290 1171 I C -2.107 174.029 176.117 0.031 0.000 1.202 1171 I CA -1.601 59.710 61.300 0.018 0.000 1.406 1171 I CB 0.210 38.211 38.000 0.003 0.000 1.383 1171 I HN -0.066 nan 8.210 nan 0.000 0.549 1172 P HA -0.002 nan 4.420 nan 0.000 0.266 1172 P C -0.150 177.188 177.300 0.064 0.000 1.193 1172 P CA 0.001 63.132 63.100 0.053 0.000 0.770 1172 P CB 0.603 32.340 31.700 0.061 0.000 0.836 1173 Q N 1.112 120.968 119.800 0.093 0.000 1.994 1173 Q HA -0.005 4.335 4.340 -0.000 0.000 0.198 1173 Q C 0.241 176.279 176.000 0.063 0.000 0.976 1173 Q CA 1.436 57.298 55.803 0.098 0.000 0.828 1173 Q CB -0.210 28.623 28.738 0.160 0.000 0.894 1173 Q HN 0.301 nan 8.270 nan 0.000 0.432 1174 V N -0.198 119.760 119.914 0.072 0.000 2.769 1174 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 1174 V C -0.619 175.422 176.094 -0.088 0.000 1.058 1174 V CA -0.709 61.550 62.300 -0.068 0.000 0.952 1174 V CB 1.578 33.325 31.823 -0.126 0.000 1.019 1174 V HN 0.209 nan 8.190 nan 0.000 0.445 1175 A N 2.636 125.306 122.820 -0.251 0.000 2.365 1175 A HA 0.920 5.240 4.320 -0.000 0.000 0.318 1175 A C -1.369 175.948 177.584 -0.446 0.000 1.091 1175 A CA -0.380 51.559 52.037 -0.163 0.000 0.763 1175 A CB 1.049 20.048 19.000 -0.001 0.000 1.248 1175 A HN 0.638 nan 8.150 nan 0.000 0.442 1176 F N 1.607 121.519 119.950 -0.062 0.000 2.496 1176 F HA 0.486 5.013 4.527 -0.000 0.000 0.341 1176 F C -0.454 175.269 175.800 -0.129 0.000 1.134 1176 F CA -0.242 57.706 58.000 -0.086 0.000 0.968 1176 F CB 1.820 40.803 39.000 -0.027 0.000 1.205 1176 F HN 0.283 nan 8.300 nan 0.000 0.436 1177 I N 3.824 124.316 120.570 -0.129 0.000 2.361 1177 I HA 0.224 4.394 4.170 -0.000 0.000 0.282 1177 I C -0.897 175.250 176.117 0.050 0.000 1.075 1177 I CA -0.402 60.851 61.300 -0.079 0.000 1.205 1177 I CB 0.409 38.251 38.000 -0.264 0.000 1.406 1177 I HN 0.363 nan 8.210 nan 0.000 0.481 1178 D N 4.686 125.133 120.400 0.079 0.000 2.505 1178 D HA 0.400 5.040 4.640 -0.000 0.000 0.250 1178 D C 0.908 177.247 176.300 0.064 0.000 1.164 1178 D CA -0.798 53.249 54.000 0.079 0.000 0.870 1178 D CB 1.774 42.615 40.800 0.069 0.000 1.160 1178 D HN 0.326 nan 8.370 nan 0.000 0.549 1179 A N 3.317 126.179 122.820 0.071 0.000 2.117 1179 A HA -0.306 4.014 4.320 -0.000 0.000 0.224 1179 A C 1.565 179.171 177.584 0.038 0.000 1.167 1179 A CA 1.814 53.885 52.037 0.057 0.000 0.664 1179 A CB -0.518 18.516 19.000 0.056 0.000 0.811 1179 A HN 0.618 nan 8.150 nan 0.000 0.470 1180 D N -0.577 119.841 120.400 0.031 0.000 2.123 1180 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 1180 D C 1.932 178.236 176.300 0.007 0.000 0.992 1180 D CA 1.420 55.428 54.000 0.014 0.000 0.833 1180 D CB -0.287 40.516 40.800 0.005 0.000 0.954 1180 D HN 0.339 nan 8.370 nan 0.000 0.455 1181 M N -0.509 119.097 119.600 0.010 0.000 2.213 1181 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 1181 M C 1.953 178.261 176.300 0.013 0.000 1.062 1181 M CA 1.067 56.369 55.300 0.004 0.000 1.105 1181 M CB -0.719 31.886 32.600 0.009 0.000 1.385 1181 M HN 0.085 nan 8.290 nan 0.000 0.417 1182 M N -0.729 118.887 119.600 0.027 0.000 2.495 1182 M HA -0.027 4.453 4.480 -0.000 0.000 0.237 1182 M C 0.889 177.204 176.300 0.025 0.000 1.131 1182 M CA 0.235 55.554 55.300 0.032 0.000 1.032 1182 M CB -0.129 32.500 32.600 0.048 0.000 1.513 1182 M HN 0.020 nan 8.290 nan 0.000 0.488 1183 D N 0.774 121.185 120.400 0.018 0.000 2.144 1183 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 1183 D C 2.152 178.458 176.300 0.010 0.000 0.984 1183 D CA 1.466 55.474 54.000 0.014 0.000 0.834 1183 D CB -0.454 40.352 40.800 0.010 0.000 0.955 1183 D HN 0.431 nan 8.370 nan 0.000 0.465 1184 G N 0.473 109.277 108.800 0.007 0.000 2.462 1184 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 1184 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 1184 G C 0.813 175.717 174.900 0.007 0.000 1.121 1184 G CA 0.051 45.154 45.100 0.004 0.000 0.758 1184 G HN 0.222 nan 8.290 nan 0.000 0.559 1185 M N 1.826 121.433 119.600 0.012 0.000 2.338 1185 M HA 0.070 4.550 4.480 -0.000 0.000 0.360 1185 M C -2.008 174.299 176.300 0.011 0.000 1.547 1185 M CA -0.890 54.419 55.300 0.015 0.000 1.001 1185 M CB 0.500 33.113 32.600 0.021 0.000 2.008 1185 M HN -0.069 nan 8.290 nan 0.000 0.464 1186 P HA 0.066 nan 4.420 nan 0.000 0.271 1186 P C -2.006 175.298 177.300 0.007 0.000 1.233 1186 P CA -0.976 62.128 63.100 0.007 0.000 0.789 1186 P CB -0.168 31.536 31.700 0.006 0.000 0.951 1187 P HA -0.198 nan 4.420 nan 0.000 0.218 1187 P C 1.106 178.407 177.300 0.001 0.000 1.148 1187 P CA 1.809 64.911 63.100 0.003 0.000 0.822 1187 P CB -0.476 31.224 31.700 0.000 0.000 0.784 1188 A N -0.688 122.133 122.820 0.002 0.000 1.930 1188 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 1188 A C 2.139 179.726 177.584 0.004 0.000 1.175 1188 A CA 1.231 53.268 52.037 0.000 0.000 0.627 1188 A CB -1.483 17.518 19.000 0.001 0.000 0.815 1188 A HN 0.138 nan 8.150 nan 0.000 0.443 1189 L N -0.105 121.124 121.223 0.010 0.000 2.044 1189 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 1189 L C 2.146 179.028 176.870 0.019 0.000 1.075 1189 L CA 2.015 56.865 54.840 0.017 0.000 0.747 1189 L CB -0.689 41.382 42.059 0.020 0.000 0.903 1189 L HN 0.323 nan 8.230 nan 0.000 0.435 1190 K N -0.573 119.836 120.400 0.016 0.000 2.103 1190 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 1190 K C 2.038 178.644 176.600 0.009 0.000 1.048 1190 K CA 1.314 57.611 56.287 0.017 0.000 0.930 1190 K CB -0.335 32.174 32.500 0.015 0.000 0.716 1190 K HN 0.449 nan 8.250 nan 0.000 0.444 1191 A N 1.632 124.452 122.820 0.001 0.000 1.858 1191 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1191 A C 2.412 179.985 177.584 -0.018 0.000 1.190 1191 A CA 1.850 53.880 52.037 -0.011 0.000 0.617 1191 A CB -0.747 18.245 19.000 -0.013 0.000 0.827 1191 A HN 0.324 nan 8.150 nan 0.000 0.443 1192 A N -0.371 122.444 122.820 -0.009 0.000 1.877 1192 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 1192 A C 2.468 180.048 177.584 -0.005 0.000 1.186 1192 A CA 2.701 54.731 52.037 -0.013 0.000 0.620 1192 A CB -1.372 17.631 19.000 0.005 0.000 0.822 1192 A HN 0.754 nan 8.150 nan 0.000 0.443 1193 T N -3.033 111.533 114.554 0.020 0.000 2.896 1193 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 1193 T C 1.939 176.652 174.700 0.021 0.000 1.050 1193 T CA 1.365 63.492 62.100 0.045 0.000 1.140 1193 T CB -0.849 68.060 68.868 0.069 0.000 0.877 1193 T HN 0.411 nan 8.240 nan 0.000 0.457 1194 G N 1.078 109.883 108.800 0.009 0.000 2.442 1194 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 1194 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 1194 G C 1.567 176.438 174.900 -0.048 0.000 1.141 1194 G CA 1.007 46.105 45.100 -0.004 0.000 0.763 1194 G HN 0.496 nan 8.290 nan 0.000 0.554 1195 V N 0.770 120.642 119.914 -0.071 0.000 2.951 1195 V HA -0.045 4.075 4.120 -0.000 0.000 0.255 1195 V C 2.336 178.321 176.094 -0.182 0.000 1.088 1195 V CA 1.619 63.848 62.300 -0.117 0.000 1.109 1195 V CB 0.225 31.979 31.823 -0.115 0.000 0.724 1195 V HN 0.377 nan 8.190 nan 0.000 0.471 1196 D N 1.197 121.493 120.400 -0.172 0.000 2.117 1196 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 1196 D C 2.146 178.137 176.300 -0.515 0.000 0.987 1196 D CA 1.674 55.501 54.000 -0.288 0.000 0.829 1196 D CB -0.001 40.773 40.800 -0.044 0.000 0.961 1196 D HN 0.359 nan 8.370 nan 0.000 0.460 1197 A N 0.602 123.276 122.820 -0.243 0.000 1.902 1197 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 1197 A C 2.307 179.810 177.584 -0.134 0.000 1.181 1197 A CA 1.101 53.060 52.037 -0.130 0.000 0.623 1197 A CB -0.843 18.180 19.000 0.037 0.000 0.818 1197 A HN 0.421 nan 8.150 nan 0.000 0.443 1198 L N -0.051 121.092 121.223 -0.134 0.000 2.141 1198 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 1198 L C 2.255 179.030 176.870 -0.158 0.000 1.094 1198 L CA 2.367 57.136 54.840 -0.119 0.000 0.763 1198 L CB -1.222 40.770 42.059 -0.111 0.000 0.908 1198 L HN 0.416 nan 8.230 nan 0.000 0.437 1199 T N -0.900 113.520 114.554 -0.223 0.000 2.684 1199 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 1199 T C 1.592 176.198 174.700 -0.157 0.000 1.036 1199 T CA 1.913 63.889 62.100 -0.206 0.000 1.148 1199 T CB -0.478 68.236 68.868 -0.255 0.000 0.863 1199 T HN 0.588 nan 8.240 nan 0.000 0.436 1200 H N 0.675 119.641 119.070 -0.173 0.000 2.389 1200 H HA 0.189 4.745 4.556 -0.000 0.000 0.299 1200 H C 2.590 177.732 175.328 -0.310 0.000 1.081 1200 H CA 0.714 56.484 56.048 -0.464 0.000 1.345 1200 H CB -0.108 29.161 29.762 -0.821 0.000 1.393 1200 H HN 0.377 nan 8.280 nan 0.000 0.520 1201 A N 1.049 123.851 122.820 -0.030 0.000 1.898 1201 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1201 A C 2.317 179.817 177.584 -0.140 0.000 1.181 1201 A CA 1.260 53.294 52.037 -0.006 0.000 0.620 1201 A CB -0.518 18.506 19.000 0.039 0.000 0.819 1201 A HN 0.307 nan 8.150 nan 0.000 0.442 1202 I N -0.685 119.822 120.570 -0.105 0.000 2.286 1202 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 1202 I C 2.475 178.573 176.117 -0.033 0.000 1.104 1202 I CA 1.198 62.466 61.300 -0.052 0.000 1.397 1202 I CB -0.507 37.441 38.000 -0.086 0.000 1.072 1202 I HN 0.394 nan 8.210 nan 0.000 0.417 1203 E N 1.044 121.195 120.200 -0.082 0.000 2.077 1203 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1203 E C 2.267 178.804 176.600 -0.104 0.000 0.989 1203 E CA 1.408 57.773 56.400 -0.057 0.000 0.800 1203 E CB -0.307 29.367 29.700 -0.044 0.000 0.746 1203 E HN 0.575 nan 8.360 nan 0.000 0.452 1204 G N -0.010 108.615 108.800 -0.293 0.000 2.534 1204 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 1204 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 1204 G C 1.285 175.951 174.900 -0.390 0.000 1.128 1204 G CA 0.158 44.997 45.100 -0.435 0.000 0.784 1204 G HN 0.218 nan 8.290 nan 0.000 0.542 1205 Y N 1.659 121.702 120.300 -0.430 0.000 2.263 1205 Y HA 0.055 4.605 4.550 -0.000 0.000 0.292 1205 Y C 2.299 178.214 175.900 0.024 0.000 1.130 1205 Y CA 0.964 59.027 58.100 -0.061 0.000 1.179 1205 Y CB 0.095 38.546 38.460 -0.015 0.000 0.998 1205 Y HN 0.319 nan 8.280 nan 0.000 0.532 1206 I N -3.113 117.467 120.570 0.016 0.000 4.018 1206 I HA 0.205 4.375 4.170 -0.000 0.000 0.337 1206 I C 0.860 176.982 176.117 0.009 0.000 1.327 1206 I CA 0.102 61.386 61.300 -0.026 0.000 1.100 1206 I CB -0.522 37.522 38.000 0.075 0.000 1.025 1206 I HN -0.067 nan 8.210 nan 0.000 0.396 1207 T N 1.455 116.024 114.554 0.025 0.000 2.908 1207 T HA 0.035 4.385 4.350 -0.000 0.000 0.325 1207 T C 1.453 176.187 174.700 0.056 0.000 1.092 1207 T CA 0.315 62.443 62.100 0.046 0.000 1.125 1207 T CB 0.702 69.609 68.868 0.063 0.000 1.016 1207 T HN 0.387 nan 8.240 nan 0.000 0.550 1208 R N 2.255 122.789 120.500 0.057 0.000 2.103 1208 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 1208 R C 2.400 178.749 176.300 0.081 0.000 1.142 1208 R CA 1.705 57.840 56.100 0.057 0.000 0.960 1208 R CB -0.776 29.552 30.300 0.047 0.000 0.858 1208 R HN 0.796 nan 8.270 nan 0.000 0.439 1209 G N 0.496 109.362 108.800 0.109 0.000 2.744 1209 G HA2 0.104 4.064 3.960 -0.000 0.000 0.211 1209 G HA3 0.104 4.064 3.960 -0.000 0.000 0.211 1209 G C 0.393 175.451 174.900 0.263 0.000 1.143 1209 G CA 0.301 45.498 45.100 0.162 0.000 0.788 1209 G HN 0.422 nan 8.290 nan 0.000 0.534 1210 A N 0.725 123.658 122.820 0.189 0.000 2.624 1210 A HA 0.370 4.690 4.320 -0.000 0.000 0.231 1210 A C 0.401 178.152 177.584 0.279 0.000 1.034 1210 A CA 0.819 52.954 52.037 0.164 0.000 0.754 1210 A CB -0.188 18.840 19.000 0.047 0.000 0.953 1210 A HN 0.923 nan 8.150 nan 0.000 0.509 1211 W N -1.919 119.405 121.300 0.041 0.000 2.937 1211 W HA 0.546 5.206 4.660 -0.000 0.000 0.360 1211 W C 0.537 177.077 176.519 0.035 0.000 1.215 1211 W CA -0.452 56.907 57.345 0.024 0.000 1.183 1211 W CB 0.532 30.001 29.460 0.016 0.000 1.458 1211 W HN 1.135 nan 8.180 nan 0.000 0.574 1212 A N 1.053 124.000 122.820 0.212 0.000 1.883 1212 A HA -0.328 3.992 4.320 -0.000 0.000 0.222 1212 A C 1.890 179.249 177.584 -0.375 0.000 1.339 1212 A CA 3.777 55.818 52.037 0.008 0.000 0.692 1212 A CB -1.143 17.978 19.000 0.202 0.000 0.845 1212 A HN 0.847 nan 8.150 nan 0.000 0.467 1213 L N -0.923 119.724 121.223 -0.960 0.000 2.046 1213 L HA -0.083 4.256 4.340 -0.000 0.000 0.208 1213 L C 2.460 178.904 176.870 -0.710 0.000 1.077 1213 L CA 2.943 57.285 54.840 -0.830 0.000 0.747 1213 L CB -1.142 40.373 42.059 -0.907 0.000 0.896 1213 L HN 0.416 nan 8.230 nan 0.000 0.432 1214 T N -0.448 113.506 114.554 -0.999 0.000 2.867 1214 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 1214 T C 1.393 175.930 174.700 -0.272 0.000 1.057 1214 T CA 1.331 63.065 62.100 -0.609 0.000 1.136 1214 T CB -0.283 68.252 68.868 -0.554 0.000 0.874 1214 T HN 0.401 nan 8.240 nan 0.000 0.466 1215 D N 1.433 121.739 120.400 -0.158 0.000 2.144 1215 D HA -0.004 4.636 4.640 -0.000 0.000 0.199 1215 D C 2.300 178.680 176.300 0.134 0.000 0.984 1215 D CA 1.118 55.225 54.000 0.179 0.000 0.834 1215 D CB -0.411 40.472 40.800 0.138 0.000 0.955 1215 D HN 0.406 nan 8.370 nan 0.000 0.465 1216 A N 0.757 123.545 122.820 -0.053 0.000 1.858 1216 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 1216 A C 2.393 179.922 177.584 -0.092 0.000 1.190 1216 A CA 0.991 52.990 52.037 -0.063 0.000 0.617 1216 A CB -0.840 18.100 19.000 -0.099 0.000 0.827 1216 A HN 0.196 nan 8.150 nan 0.000 0.443 1217 L N -1.488 119.635 121.223 -0.167 0.000 2.012 1217 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 1217 L C 2.578 179.381 176.870 -0.112 0.000 1.073 1217 L CA 1.961 56.696 54.840 -0.175 0.000 0.748 1217 L CB -0.974 40.917 42.059 -0.281 0.000 0.891 1217 L HN 0.505 nan 8.230 nan 0.000 0.431 1218 H N -1.026 118.030 119.070 -0.023 0.000 2.387 1218 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 1218 H C 2.163 177.375 175.328 -0.193 0.000 1.090 1218 H CA 1.244 57.274 56.048 -0.029 0.000 1.332 1218 H CB 0.179 30.000 29.762 0.099 0.000 1.386 1218 H HN 0.158 nan 8.280 nan 0.000 0.516 1219 I N 0.922 121.388 120.570 -0.175 0.000 2.493 1219 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 1219 I C 2.041 178.063 176.117 -0.159 0.000 1.160 1219 I CA 1.288 62.386 61.300 -0.338 0.000 1.445 1219 I CB -0.031 37.768 38.000 -0.335 0.000 1.086 1219 I HN -0.030 nan 8.210 nan 0.000 0.433 1220 K N 0.858 121.203 120.400 -0.091 0.000 2.062 1220 K HA 0.090 4.410 4.320 -0.000 0.000 0.205 1220 K C 2.089 178.663 176.600 -0.043 0.000 1.051 1220 K CA 1.399 57.648 56.287 -0.064 0.000 0.941 1220 K CB -0.558 31.909 32.500 -0.055 0.000 0.719 1220 K HN 0.309 nan 8.250 nan 0.000 0.440 1221 A N 0.907 123.717 122.820 -0.017 0.000 1.865 1221 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 1221 A C 2.236 179.814 177.584 -0.011 0.000 1.191 1221 A CA 1.968 54.018 52.037 0.022 0.000 0.623 1221 A CB -0.831 18.225 19.000 0.094 0.000 0.826 1221 A HN 0.319 nan 8.150 nan 0.000 0.444 1222 I N -0.650 119.888 120.570 -0.053 0.000 2.163 1222 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 1222 I C 2.575 178.649 176.117 -0.071 0.000 1.085 1222 I CA 1.894 63.145 61.300 -0.082 0.000 1.347 1222 I CB -0.475 37.436 38.000 -0.148 0.000 1.044 1222 I HN 0.564 nan 8.210 nan 0.000 0.408 1223 E N 1.544 121.698 120.200 -0.077 0.000 2.048 1223 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 1223 E C 2.260 178.836 176.600 -0.039 0.000 1.021 1223 E CA 2.153 58.517 56.400 -0.059 0.000 0.825 1223 E CB -0.134 29.532 29.700 -0.057 0.000 0.756 1223 E HN 0.473 nan 8.360 nan 0.000 0.454 1224 I N 0.493 121.046 120.570 -0.028 0.000 2.113 1224 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 1224 I C 2.584 178.696 176.117 -0.009 0.000 1.070 1224 I CA 1.114 62.406 61.300 -0.013 0.000 1.332 1224 I CB -0.424 37.575 38.000 -0.001 0.000 1.044 1224 I HN 0.180 nan 8.210 nan 0.000 0.402 1225 I N 1.261 121.827 120.570 -0.006 0.000 2.091 1225 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 1225 I C 2.842 178.945 176.117 -0.022 0.000 1.061 1225 I CA 1.721 63.017 61.300 -0.007 0.000 1.317 1225 I CB -0.648 37.347 38.000 -0.009 0.000 1.031 1225 I HN 0.218 nan 8.210 nan 0.000 0.401 1226 A N 0.650 123.447 122.820 -0.037 0.000 2.042 1226 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 1226 A C 2.282 179.847 177.584 -0.032 0.000 1.167 1226 A CA 2.131 54.142 52.037 -0.043 0.000 0.649 1226 A CB -1.386 17.580 19.000 -0.056 0.000 0.809 1226 A HN 0.572 nan 8.150 nan 0.000 0.457 1227 G N -2.552 106.233 108.800 -0.025 0.000 2.880 1227 G HA2 0.342 4.302 3.960 -0.000 0.000 0.209 1227 G HA3 0.342 4.302 3.960 -0.000 0.000 0.209 1227 G C 1.031 175.923 174.900 -0.012 0.000 1.157 1227 G CA 1.042 46.131 45.100 -0.019 0.000 0.779 1227 G HN 0.867 nan 8.290 nan 0.000 0.539 1228 A N -0.520 122.295 122.820 -0.009 0.000 2.140 1228 A HA 0.427 4.747 4.320 -0.000 0.000 0.199 1228 A C 1.880 179.463 177.584 -0.001 0.000 1.416 1228 A CA -0.044 51.992 52.037 -0.002 0.000 1.018 1228 A CB -0.158 18.846 19.000 0.006 0.000 1.117 1228 A HN 0.168 nan 8.150 nan 0.000 0.480 1229 L N 0.192 121.412 121.223 -0.006 0.000 1.997 1229 L HA -0.280 4.060 4.340 -0.000 0.000 0.216 1229 L C 2.708 179.573 176.870 -0.007 0.000 1.074 1229 L CA 2.084 56.919 54.840 -0.007 0.000 0.763 1229 L CB -0.392 41.656 42.059 -0.018 0.000 0.890 1229 L HN 0.456 nan 8.230 nan 0.000 0.434 1230 R N -0.837 119.656 120.500 -0.011 0.000 2.112 1230 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 1230 R C 2.157 178.454 176.300 -0.005 0.000 1.137 1230 R CA 1.754 57.848 56.100 -0.010 0.000 0.944 1230 R CB -0.844 29.449 30.300 -0.012 0.000 0.857 1230 R HN 0.563 nan 8.270 nan 0.000 0.435 1231 G N -0.637 108.161 108.800 -0.003 0.000 2.402 1231 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 1231 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 1231 G C 1.385 176.287 174.900 0.003 0.000 1.162 1231 G CA 0.849 45.949 45.100 -0.000 0.000 0.777 1231 G HN 0.369 nan 8.290 nan 0.000 0.539 1232 S N -0.213 115.490 115.700 0.006 0.000 2.359 1232 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 1232 S C 2.490 177.095 174.600 0.008 0.000 1.038 1232 S CA 1.803 60.009 58.200 0.010 0.000 1.051 1232 S CB -0.483 62.726 63.200 0.015 0.000 0.944 1232 S HN 0.110 nan 8.310 nan 0.000 0.433 1233 V N 1.932 121.849 119.914 0.004 0.000 2.392 1233 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 1233 V C 2.663 178.757 176.094 0.001 0.000 1.059 1233 V CA 1.822 64.123 62.300 0.001 0.000 1.051 1233 V CB -1.168 30.653 31.823 -0.003 0.000 0.658 1233 V HN 0.640 nan 8.190 nan 0.000 0.455 1234 A N -1.293 121.527 122.820 -0.000 0.000 2.235 1234 A HA 0.353 4.673 4.320 -0.000 0.000 0.208 1234 A C 1.957 179.542 177.584 0.001 0.000 1.172 1234 A CA 1.356 53.393 52.037 -0.000 0.000 0.786 1234 A CB -0.334 18.665 19.000 -0.002 0.000 0.804 1234 A HN 1.050 nan 8.150 nan 0.000 0.479 1235 G N -0.695 108.107 108.800 0.004 0.000 2.316 1235 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.203 1235 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.203 1235 G C 0.035 174.939 174.900 0.006 0.000 0.999 1235 G CA 0.125 45.228 45.100 0.005 0.000 0.649 1235 G HN 0.569 nan 8.290 nan 0.000 0.489 1236 D N 1.311 121.715 120.400 0.006 0.000 2.520 1236 D HA 0.261 4.901 4.640 -0.000 0.000 0.243 1236 D C 1.616 177.923 176.300 0.011 0.000 1.160 1236 D CA 0.444 54.449 54.000 0.007 0.000 0.877 1236 D CB 0.582 41.385 40.800 0.006 0.000 1.150 1236 D HN 0.382 nan 8.370 nan 0.000 0.494 1237 K N 2.652 123.059 120.400 0.012 0.000 2.103 1237 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 1237 K C 1.011 177.623 176.600 0.019 0.000 1.052 1237 K CA 0.711 57.007 56.287 0.016 0.000 0.945 1237 K CB 0.167 32.676 32.500 0.014 0.000 0.722 1237 K HN 0.487 nan 8.250 nan 0.000 0.443 1238 D N 1.038 121.448 120.400 0.016 0.000 2.144 1238 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 1238 D C 1.803 178.114 176.300 0.018 0.000 0.978 1238 D CA 0.989 54.999 54.000 0.017 0.000 0.833 1238 D CB -0.056 40.752 40.800 0.013 0.000 0.961 1238 D HN 0.147 nan 8.370 nan 0.000 0.470 1239 A N 0.832 123.661 122.820 0.015 0.000 1.908 1239 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 1239 A C 2.385 179.983 177.584 0.024 0.000 1.181 1239 A CA 2.145 54.191 52.037 0.015 0.000 0.627 1239 A CB -1.099 17.907 19.000 0.010 0.000 0.818 1239 A HN 0.306 nan 8.150 nan 0.000 0.445 1240 G N -0.498 108.318 108.800 0.026 0.000 2.446 1240 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 1240 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 1240 G C 1.484 176.412 174.900 0.048 0.000 1.168 1240 G CA 1.257 46.378 45.100 0.035 0.000 0.771 1240 G HN 0.685 nan 8.290 nan 0.000 0.551 1241 E N 0.384 120.611 120.200 0.046 0.000 2.031 1241 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 1241 E C 2.331 178.966 176.600 0.059 0.000 0.994 1241 E CA 1.262 57.697 56.400 0.058 0.000 0.800 1241 E CB -0.189 29.541 29.700 0.050 0.000 0.752 1241 E HN 0.579 nan 8.360 nan 0.000 0.447 1242 E N -0.163 120.062 120.200 0.041 0.000 2.086 1242 E HA -0.262 4.088 4.350 -0.000 0.000 0.200 1242 E C 2.171 178.800 176.600 0.049 0.000 1.012 1242 E CA 1.549 57.969 56.400 0.033 0.000 0.812 1242 E CB -0.128 29.583 29.700 0.019 0.000 0.743 1242 E HN 0.351 nan 8.360 nan 0.000 0.453 1243 M N 0.185 119.816 119.600 0.052 0.000 2.082 1243 M HA -0.198 4.282 4.480 -0.000 0.000 0.258 1243 M C 2.559 178.921 176.300 0.104 0.000 1.071 1243 M CA 1.636 56.976 55.300 0.066 0.000 1.103 1243 M CB -1.317 31.317 32.600 0.056 0.000 1.307 1243 M HN 0.161 nan 8.290 nan 0.000 0.409 1244 A N 0.211 123.097 122.820 0.110 0.000 1.954 1244 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 1244 A C 2.216 179.927 177.584 0.211 0.000 1.199 1244 A CA 2.151 54.279 52.037 0.151 0.000 0.657 1244 A CB -1.061 18.021 19.000 0.137 0.000 0.823 1244 A HN 0.474 nan 8.150 nan 0.000 0.463 1245 L N -0.513 120.814 121.223 0.173 0.000 2.007 1245 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 1245 L C 2.474 179.456 176.870 0.186 0.000 1.073 1245 L CA 2.415 57.361 54.840 0.175 0.000 0.744 1245 L CB -1.477 40.610 42.059 0.046 0.000 0.898 1245 L HN 0.328 nan 8.230 nan 0.000 0.435 1246 G N -0.261 108.611 108.800 0.121 0.000 2.732 1246 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.222 1246 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.222 1246 G C 1.322 176.326 174.900 0.173 0.000 1.203 1246 G CA 1.572 46.740 45.100 0.114 0.000 0.780 1246 G HN 0.689 nan 8.290 nan 0.000 0.621 1247 Q N -0.795 119.123 119.800 0.197 0.000 2.170 1247 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 1247 Q C 2.246 178.418 176.000 0.288 0.000 0.976 1247 Q CA 1.930 57.876 55.803 0.238 0.000 0.858 1247 Q CB -0.856 28.014 28.738 0.219 0.000 0.907 1247 Q HN 0.629 nan 8.270 nan 0.000 0.433 1248 Y N 1.009 121.429 120.300 0.199 0.000 2.133 1248 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 1248 Y C 2.032 178.032 175.900 0.167 0.000 1.134 1248 Y CA 1.741 59.969 58.100 0.212 0.000 1.133 1248 Y CB -0.188 38.476 38.460 0.339 0.000 0.987 1248 Y HN 0.028 nan 8.280 nan 0.000 0.502 1249 V N 0.711 120.817 119.914 0.319 0.000 2.252 1249 V HA -0.400 3.720 4.120 -0.000 0.000 0.249 1249 V C 2.704 178.851 176.094 0.089 0.000 1.056 1249 V CA 1.987 64.382 62.300 0.158 0.000 1.022 1249 V CB -1.777 30.109 31.823 0.105 0.000 0.641 1249 V HN 0.592 nan 8.190 nan 0.000 0.445 1250 A N 0.655 123.591 122.820 0.193 0.000 1.884 1250 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 1250 A C 2.476 180.305 177.584 0.407 0.000 1.197 1250 A CA 2.467 54.719 52.037 0.359 0.000 0.637 1250 A CB -1.543 17.691 19.000 0.391 0.000 0.827 1250 A HN 0.589 nan 8.150 nan 0.000 0.450 1251 G N -0.595 108.344 108.800 0.231 0.000 2.513 1251 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 1251 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 1251 G C 1.639 176.301 174.900 -0.395 0.000 1.160 1251 G CA 1.499 46.496 45.100 -0.172 0.000 0.767 1251 G HN 0.536 nan 8.290 nan 0.000 0.571 1252 M N 0.696 120.110 119.600 -0.310 0.000 2.149 1252 M HA 0.001 4.481 4.480 -0.000 0.000 0.261 1252 M C 2.764 178.911 176.300 -0.254 0.000 1.064 1252 M CA 1.418 56.553 55.300 -0.276 0.000 1.102 1252 M CB -0.621 31.877 32.600 -0.169 0.000 1.369 1252 M HN 0.283 nan 8.290 nan 0.000 0.408 1253 G N 1.194 109.830 108.800 -0.272 0.000 2.616 1253 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 1253 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 1253 G C 1.175 176.075 174.900 -0.001 0.000 1.284 1253 G CA 0.815 45.626 45.100 -0.482 0.000 0.823 1253 G HN 0.569 nan 8.290 nan 0.000 0.569 1254 F N 1.291 121.458 119.950 0.362 0.000 2.269 1254 F HA 0.039 4.566 4.527 -0.000 0.000 0.301 1254 F C 2.610 178.428 175.800 0.030 0.000 1.082 1254 F CA 1.345 59.473 58.000 0.215 0.000 1.360 1254 F CB -0.697 38.354 39.000 0.086 0.000 1.041 1254 F HN 0.190 nan 8.300 nan 0.000 0.512 1255 S N 0.895 116.088 115.700 -0.845 0.000 2.387 1255 S HA -0.248 4.222 4.470 -0.000 0.000 0.230 1255 S C 1.509 175.985 174.600 -0.207 0.000 1.035 1255 S CA 1.824 59.669 58.200 -0.592 0.000 1.014 1255 S CB -0.782 62.077 63.200 -0.568 0.000 0.836 1255 S HN 0.652 nan 8.310 nan 0.000 0.466 1256 N N 0.294 118.923 118.700 -0.119 0.000 2.295 1256 N HA 0.202 4.942 4.740 -0.000 0.000 0.221 1256 N C 0.345 175.915 175.510 0.099 0.000 1.129 1256 N CA 0.344 53.391 53.050 -0.004 0.000 0.836 1256 N CB 1.365 39.859 38.487 0.012 0.000 1.040 1256 N HN 0.341 nan 8.380 nan 0.000 0.494 1257 V N -1.687 118.291 119.914 0.108 0.000 3.091 1257 V HA 0.228 4.348 4.120 -0.000 0.000 0.245 1257 V C 0.020 176.204 176.094 0.149 0.000 1.769 1257 V CA 0.676 63.078 62.300 0.170 0.000 0.989 1257 V CB 0.372 32.334 31.823 0.231 0.000 0.961 1257 V HN 0.356 nan 8.190 nan 0.000 0.382 1258 G N -0.108 108.787 108.800 0.158 0.000 2.355 1258 G HA2 0.208 4.168 3.960 -0.000 0.000 0.619 1258 G HA3 0.208 4.168 3.960 -0.000 0.000 0.619 1258 G C -1.323 173.655 174.900 0.131 0.000 1.337 1258 G CA -0.124 45.054 45.100 0.131 0.000 0.993 1258 G HN 0.512 nan 8.290 nan 0.000 0.599 1259 L N -0.410 120.850 121.223 0.063 0.000 2.931 1259 L HA 0.994 5.334 4.340 -0.000 0.000 0.237 1259 L C 1.385 178.266 176.870 0.018 0.000 1.986 1259 L CA -0.080 54.750 54.840 -0.017 0.000 2.186 1259 L CB 1.064 43.023 42.059 -0.167 0.000 2.326 1259 L HN 1.458 nan 8.230 nan 0.000 0.575 1260 G N -1.239 107.577 108.800 0.027 0.000 2.696 1260 G HA2 0.192 4.152 3.960 -0.000 0.000 0.151 1260 G HA3 0.192 4.152 3.960 -0.000 0.000 0.151 1260 G C -0.037 174.881 174.900 0.030 0.000 1.197 1260 G CA -0.456 44.666 45.100 0.037 0.000 1.053 1260 G HN 0.299 nan 8.290 nan 0.000 0.546 1261 L N 0.760 121.986 121.223 0.005 0.000 2.131 1261 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 1261 L C 3.001 179.816 176.870 -0.092 0.000 1.092 1261 L CA 1.101 55.910 54.840 -0.053 0.000 0.759 1261 L CB -0.276 41.727 42.059 -0.093 0.000 0.903 1261 L HN 0.315 nan 8.230 nan 0.000 0.435 1262 V N -1.166 118.707 119.914 -0.068 0.000 2.295 1262 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 1262 V C 2.196 178.163 176.094 -0.212 0.000 1.049 1262 V CA 1.890 64.105 62.300 -0.142 0.000 1.024 1262 V CB -0.879 30.863 31.823 -0.135 0.000 0.648 1262 V HN 0.451 nan 8.190 nan 0.000 0.447 1263 H N 0.553 119.504 119.070 -0.198 0.000 2.457 1263 H HA 0.013 4.569 4.556 -0.000 0.000 0.294 1263 H C 2.273 177.403 175.328 -0.330 0.000 1.064 1263 H CA 1.440 57.300 56.048 -0.313 0.000 1.330 1263 H CB -0.492 29.131 29.762 -0.232 0.000 1.395 1263 H HN 0.456 nan 8.280 nan 0.000 0.541 1264 G N -0.655 108.119 108.800 -0.042 0.000 2.464 1264 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 1264 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 1264 G C 1.444 176.347 174.900 0.006 0.000 1.138 1264 G CA 0.382 45.495 45.100 0.023 0.000 0.793 1264 G HN 0.314 nan 8.290 nan 0.000 0.539 1265 M N 0.336 119.883 119.600 -0.089 0.000 2.510 1265 M HA 0.293 4.773 4.480 -0.000 0.000 0.256 1265 M C 2.686 179.007 176.300 0.036 0.000 1.132 1265 M CA 0.556 55.807 55.300 -0.081 0.000 1.105 1265 M CB 0.510 32.853 32.600 -0.428 0.000 1.375 1265 M HN 0.268 nan 8.290 nan 0.000 0.477 1266 A N -0.407 122.357 122.820 -0.094 0.000 1.935 1266 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 1266 A C 1.593 179.211 177.584 0.056 0.000 1.178 1266 A CA 1.093 53.062 52.037 -0.113 0.000 0.640 1266 A CB -0.855 17.903 19.000 -0.404 0.000 0.825 1266 A HN 0.458 nan 8.150 nan 0.000 0.447 1267 H N 0.185 119.311 119.070 0.093 0.000 2.290 1267 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 1267 H C -0.613 174.804 175.328 0.148 0.000 1.087 1267 H CA 1.606 57.745 56.048 0.152 0.000 1.291 1267 H CB -0.791 29.072 29.762 0.168 0.000 1.369 1267 H HN 0.383 nan 8.280 nan 0.000 0.492 1268 P HA -0.118 nan 4.420 nan 0.000 0.226 1268 P C 0.997 178.361 177.300 0.107 0.000 1.153 1268 P CA 0.781 63.972 63.100 0.152 0.000 0.777 1268 P CB 0.144 31.866 31.700 0.036 0.000 0.794 1269 L N -0.685 120.634 121.223 0.160 0.000 2.131 1269 L HA 0.072 4.412 4.340 -0.000 0.000 0.206 1269 L C 2.449 179.494 176.870 0.291 0.000 1.087 1269 L CA 1.755 56.735 54.840 0.234 0.000 0.767 1269 L CB -1.892 40.278 42.059 0.186 0.000 0.917 1269 L HN -0.006 nan 8.230 nan 0.000 0.441 1270 G N -0.874 108.070 108.800 0.239 0.000 2.511 1270 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 1270 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 1270 G C 1.713 176.741 174.900 0.213 0.000 1.218 1270 G CA 1.023 46.255 45.100 0.221 0.000 0.788 1270 G HN 0.481 nan 8.290 nan 0.000 0.560 1271 A N -0.073 122.884 122.820 0.229 0.000 1.971 1271 A HA -0.063 4.257 4.320 -0.000 0.000 0.222 1271 A C 2.208 179.893 177.584 0.168 0.000 1.182 1271 A CA 1.975 54.137 52.037 0.208 0.000 0.649 1271 A CB -0.531 18.635 19.000 0.276 0.000 0.818 1271 A HN 0.328 nan 8.150 nan 0.000 0.458 1272 F N -3.219 116.669 119.950 -0.103 0.000 2.262 1272 F HA 0.145 4.672 4.527 -0.000 0.000 0.292 1272 F C 1.376 176.875 175.800 -0.501 0.000 1.081 1272 F CA 0.912 58.672 58.000 -0.399 0.000 1.355 1272 F CB -0.025 38.573 39.000 -0.671 0.000 1.069 1272 F HN 0.278 nan 8.300 nan 0.000 0.506 1273 Y N -1.613 118.817 120.300 0.216 0.000 2.626 1273 Y HA 0.265 4.815 4.550 -0.000 0.000 0.248 1273 Y C 0.660 176.615 175.900 0.092 0.000 1.147 1273 Y CA -0.720 57.458 58.100 0.131 0.000 1.219 1273 Y CB -0.306 38.226 38.460 0.121 0.000 1.279 1273 Y HN -0.102 nan 8.280 nan 0.000 0.541 1274 N N 0.571 119.391 118.700 0.200 0.000 2.708 1274 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 1274 N C -0.593 175.005 175.510 0.146 0.000 1.123 1274 N CA 1.409 54.546 53.050 0.145 0.000 0.739 1274 N CB -1.221 37.329 38.487 0.104 0.000 1.113 1274 N HN 0.218 nan 8.380 nan 0.000 0.561 1275 T N 1.988 116.650 114.554 0.180 0.000 2.853 1275 T HA 0.206 4.556 4.350 -0.000 0.000 0.298 1275 T C -2.138 172.624 174.700 0.104 0.000 0.978 1275 T CA -0.577 61.597 62.100 0.124 0.000 1.152 1275 T CB 0.968 69.907 68.868 0.119 0.000 0.914 1275 T HN 0.052 nan 8.240 nan 0.000 0.539 1276 P HA 0.018 nan 4.420 nan 0.000 0.264 1276 P C 0.651 178.002 177.300 0.084 0.000 1.183 1276 P CA 0.033 63.183 63.100 0.083 0.000 0.763 1276 P CB 0.440 32.171 31.700 0.053 0.000 0.807 1277 H N 3.258 122.351 119.070 0.039 0.000 2.321 1277 H HA -0.192 4.364 4.556 -0.000 0.000 0.295 1277 H C 2.052 177.347 175.328 -0.055 0.000 1.102 1277 H CA 2.736 58.796 56.048 0.020 0.000 1.266 1277 H CB -0.615 29.194 29.762 0.078 0.000 1.363 1277 H HN 0.556 nan 8.280 nan 0.000 0.492 1278 G N -0.327 108.464 108.800 -0.014 0.000 2.448 1278 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 1278 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 1278 G C 1.816 176.631 174.900 -0.142 0.000 1.135 1278 G CA 1.168 46.200 45.100 -0.113 0.000 0.784 1278 G HN 0.518 nan 8.290 nan 0.000 0.543 1279 V N -0.934 118.926 119.914 -0.090 0.000 2.346 1279 V HA 0.199 4.319 4.120 -0.000 0.000 0.244 1279 V C 2.922 178.952 176.094 -0.107 0.000 1.037 1279 V CA 1.615 63.867 62.300 -0.081 0.000 1.029 1279 V CB -1.006 30.791 31.823 -0.042 0.000 0.663 1279 V HN 0.345 nan 8.190 nan 0.000 0.454 1280 A N 1.440 124.193 122.820 -0.111 0.000 1.859 1280 A HA -0.333 3.987 4.320 -0.000 0.000 0.217 1280 A C 2.087 179.547 177.584 -0.207 0.000 1.198 1280 A CA 2.785 54.747 52.037 -0.124 0.000 0.629 1280 A CB -1.455 17.484 19.000 -0.102 0.000 0.830 1280 A HN 0.748 nan 8.150 nan 0.000 0.446 1281 N N -0.136 118.354 118.700 -0.349 0.000 2.021 1281 N HA -0.207 4.533 4.740 -0.000 0.000 0.198 1281 N C 2.078 177.431 175.510 -0.262 0.000 1.041 1281 N CA 1.339 54.148 53.050 -0.402 0.000 0.862 1281 N CB -0.340 37.799 38.487 -0.580 0.000 1.048 1281 N HN 0.530 nan 8.380 nan 0.000 0.427 1282 A N 1.553 124.242 122.820 -0.218 0.000 1.869 1282 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 1282 A C 2.197 179.698 177.584 -0.138 0.000 1.203 1282 A CA 1.641 53.578 52.037 -0.168 0.000 0.638 1282 A CB -1.068 17.856 19.000 -0.127 0.000 0.831 1282 A HN 0.262 nan 8.150 nan 0.000 0.450 1283 I N -0.946 119.567 120.570 -0.096 0.000 2.208 1283 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 1283 I C 2.258 178.381 176.117 0.010 0.000 1.097 1283 I CA 0.912 62.193 61.300 -0.032 0.000 1.363 1283 I CB -0.216 37.768 38.000 -0.026 0.000 1.051 1283 I HN 0.248 nan 8.210 nan 0.000 0.413 1284 L N -0.471 120.719 121.223 -0.056 0.000 2.179 1284 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 1284 L C 2.231 179.060 176.870 -0.069 0.000 1.096 1284 L CA 1.347 56.162 54.840 -0.042 0.000 0.779 1284 L CB -1.120 40.859 42.059 -0.133 0.000 0.922 1284 L HN 0.211 nan 8.230 nan 0.000 0.443 1285 L N 1.105 122.232 121.223 -0.160 0.000 1.997 1285 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 1285 L C -0.581 176.134 176.870 -0.258 0.000 1.074 1285 L CA 2.374 57.093 54.840 -0.202 0.000 0.763 1285 L CB -1.757 40.163 42.059 -0.231 0.000 0.890 1285 L HN 0.157 nan 8.230 nan 0.000 0.434 1286 P HA -0.095 nan 4.420 nan 0.000 0.219 1286 P C 1.059 178.109 177.300 -0.417 0.000 1.150 1286 P CA 1.556 64.258 63.100 -0.662 0.000 0.814 1286 P CB -0.141 30.601 31.700 -1.595 0.000 0.787 1287 H N -1.087 117.882 119.070 -0.168 0.000 2.321 1287 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 1287 H C 1.895 177.233 175.328 0.017 0.000 1.087 1287 H CA 1.200 57.246 56.048 -0.004 0.000 1.319 1287 H CB -1.050 28.726 29.762 0.023 0.000 1.379 1287 H HN -0.156 nan 8.280 nan 0.000 0.501 1288 V N 0.651 120.607 119.914 0.071 0.000 2.407 1288 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 1288 V C 2.286 178.466 176.094 0.144 0.000 1.055 1288 V CA 1.758 64.099 62.300 0.068 0.000 1.049 1288 V CB -0.511 31.299 31.823 -0.022 0.000 0.662 1288 V HN 0.441 nan 8.190 nan 0.000 0.455 1289 M N -1.058 118.579 119.600 0.061 0.000 2.073 1289 M HA -0.214 4.266 4.480 -0.000 0.000 0.258 1289 M C 2.502 178.970 176.300 0.280 0.000 1.070 1289 M CA 1.947 57.326 55.300 0.131 0.000 1.103 1289 M CB -0.517 32.011 32.600 -0.120 0.000 1.321 1289 M HN 0.206 nan 8.290 nan 0.000 0.405 1290 R N -0.667 119.948 120.500 0.191 0.000 2.094 1290 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 1290 R C 2.147 178.589 176.300 0.237 0.000 1.137 1290 R CA 2.053 58.284 56.100 0.218 0.000 0.943 1290 R CB -1.141 29.274 30.300 0.191 0.000 0.850 1290 R HN 0.457 nan 8.270 nan 0.000 0.433 1291 Y N 1.917 122.286 120.300 0.116 0.000 2.315 1291 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 1291 Y C 1.620 177.581 175.900 0.101 0.000 1.154 1291 Y CA 1.649 59.802 58.100 0.089 0.000 1.229 1291 Y CB -0.081 38.403 38.460 0.041 0.000 0.980 1291 Y HN 0.066 nan 8.280 nan 0.000 0.540 1292 N N -0.240 118.583 118.700 0.205 0.000 2.432 1292 N HA 0.065 4.805 4.740 -0.000 0.000 0.174 1292 N C 1.947 177.521 175.510 0.107 0.000 1.037 1292 N CA 0.934 54.073 53.050 0.149 0.000 0.892 1292 N CB -0.686 37.931 38.487 0.217 0.000 1.049 1292 N HN 0.396 nan 8.380 nan 0.000 0.442 1293 A N 1.882 124.739 122.820 0.061 0.000 1.861 1293 A HA -0.310 4.010 4.320 -0.000 0.000 0.248 1293 A C 1.581 178.967 177.584 -0.329 0.000 2.075 1293 A CA 2.546 54.418 52.037 -0.275 0.000 0.818 1293 A CB -1.225 17.782 19.000 0.011 0.000 0.844 1293 A HN 0.256 nan 8.150 nan 0.000 0.498 1294 D N -1.358 118.956 120.400 -0.142 0.000 2.354 1294 D HA -0.051 4.589 4.640 -0.000 0.000 0.216 1294 D C 0.282 176.269 176.300 -0.521 0.000 0.970 1294 D CA 0.847 54.650 54.000 -0.330 0.000 0.905 1294 D CB -0.294 40.266 40.800 -0.400 0.000 0.903 1294 D HN 0.494 nan 8.370 nan 0.000 0.508 1295 F N -0.419 119.406 119.950 -0.208 0.000 2.928 1295 F HA 0.223 4.750 4.527 -0.000 0.000 0.337 1295 F C 0.968 176.669 175.800 -0.165 0.000 1.259 1295 F CA -0.380 57.524 58.000 -0.159 0.000 1.267 1295 F CB 0.174 39.098 39.000 -0.127 0.000 0.986 1295 F HN -0.206 nan 8.300 nan 0.000 0.507 1296 T N -3.092 111.385 114.554 -0.128 0.000 3.541 1296 T HA 0.498 4.848 4.350 -0.000 0.000 0.309 1296 T C 1.080 175.682 174.700 -0.163 0.000 0.973 1296 T CA -0.004 62.003 62.100 -0.154 0.000 0.993 1296 T CB -0.255 68.437 68.868 -0.294 0.000 1.206 1296 T HN 0.503 nan 8.240 nan 0.000 0.489 1297 G N 2.612 111.327 108.800 -0.141 0.000 2.661 1297 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.327 1297 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.327 1297 G C 0.604 175.449 174.900 -0.092 0.000 1.320 1297 G CA 0.650 45.685 45.100 -0.108 0.000 0.997 1297 G HN 0.452 nan 8.290 nan 0.000 0.543 1298 E N 1.015 121.189 120.200 -0.042 0.000 2.489 1298 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 1298 E C 2.430 179.076 176.600 0.077 0.000 1.057 1298 E CA 0.193 56.598 56.400 0.008 0.000 0.866 1298 E CB 0.079 29.791 29.700 0.020 0.000 0.916 1298 E HN 0.495 nan 8.360 nan 0.000 0.500 1299 K N 0.086 120.527 120.400 0.068 0.000 2.097 1299 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 1299 K C 1.748 178.615 176.600 0.445 0.000 1.049 1299 K CA 0.944 57.365 56.287 0.222 0.000 0.933 1299 K CB -0.218 32.283 32.500 0.002 0.000 0.717 1299 K HN 0.211 nan 8.250 nan 0.000 0.442 1300 Y N 1.382 121.749 120.300 0.110 0.000 2.200 1300 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 1300 Y C 2.612 178.550 175.900 0.064 0.000 1.137 1300 Y CA 0.890 59.041 58.100 0.085 0.000 1.163 1300 Y CB -0.816 37.671 38.460 0.046 0.000 0.988 1300 Y HN 0.099 nan 8.280 nan 0.000 0.518 1301 R N 0.835 121.473 120.500 0.230 0.000 2.119 1301 R HA -0.201 4.139 4.340 -0.000 0.000 0.246 1301 R C 1.584 177.949 176.300 0.108 0.000 1.146 1301 R CA 2.334 58.512 56.100 0.130 0.000 0.962 1301 R CB -0.395 29.960 30.300 0.092 0.000 0.863 1301 R HN 0.225 nan 8.270 nan 0.000 0.442 1302 D N -0.010 120.477 120.400 0.145 0.000 2.144 1302 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 1302 D C 2.003 178.324 176.300 0.036 0.000 0.978 1302 D CA 1.406 55.469 54.000 0.105 0.000 0.833 1302 D CB -0.131 40.781 40.800 0.186 0.000 0.961 1302 D HN 0.375 nan 8.370 nan 0.000 0.470 1303 I N 1.253 121.860 120.570 0.062 0.000 2.202 1303 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 1303 I C 2.502 178.588 176.117 -0.052 0.000 1.091 1303 I CA 0.926 62.201 61.300 -0.041 0.000 1.368 1303 I CB -0.183 37.786 38.000 -0.051 0.000 1.058 1303 I HN -0.081 nan 8.210 nan 0.000 0.410 1304 A N 0.691 123.501 122.820 -0.016 0.000 1.908 1304 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 1304 A C 2.447 180.022 177.584 -0.016 0.000 1.181 1304 A CA 1.693 53.718 52.037 -0.020 0.000 0.627 1304 A CB -0.679 18.327 19.000 0.011 0.000 0.818 1304 A HN 0.333 nan 8.150 nan 0.000 0.445 1305 R N 0.054 120.553 120.500 -0.003 0.000 2.082 1305 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 1305 R C 2.040 178.327 176.300 -0.022 0.000 1.136 1305 R CA 2.405 58.501 56.100 -0.006 0.000 0.935 1305 R CB -0.593 29.709 30.300 0.003 0.000 0.842 1305 R HN 0.575 nan 8.270 nan 0.000 0.430 1306 V N -1.307 118.586 119.914 -0.036 0.000 3.305 1306 V HA 0.004 4.124 4.120 -0.000 0.000 0.269 1306 V C 1.577 177.640 176.094 -0.051 0.000 1.157 1306 V CA 1.131 63.402 62.300 -0.048 0.000 1.157 1306 V CB -0.352 31.430 31.823 -0.069 0.000 0.772 1306 V HN 0.239 nan 8.190 nan 0.000 0.498 1307 M N 1.039 120.608 119.600 -0.052 0.000 2.530 1307 M HA 0.422 4.902 4.480 -0.000 0.000 0.231 1307 M C 1.550 177.829 176.300 -0.035 0.000 1.180 1307 M CA 0.702 55.971 55.300 -0.050 0.000 0.985 1307 M CB 0.150 32.711 32.600 -0.064 0.000 1.623 1307 M HN 0.601 nan 8.290 nan 0.000 0.475 1308 G N 0.641 109.424 108.800 -0.028 0.000 2.179 1308 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 1308 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 1308 G C 0.123 175.015 174.900 -0.014 0.000 0.977 1308 G CA -0.171 44.917 45.100 -0.019 0.000 0.641 1308 G HN 0.360 nan 8.290 nan 0.000 0.533 1309 V N 1.321 121.227 119.914 -0.013 0.000 2.555 1309 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 1309 V C 1.014 177.107 176.094 -0.001 0.000 1.044 1309 V CA 0.110 62.406 62.300 -0.006 0.000 1.026 1309 V CB 1.319 33.139 31.823 -0.005 0.000 0.981 1309 V HN 0.316 nan 8.190 nan 0.000 0.480 1310 K N 4.137 124.538 120.400 0.001 0.000 2.110 1310 K HA 0.164 4.483 4.320 -0.000 0.000 0.260 1310 K C 0.622 177.226 176.600 0.007 0.000 1.126 1310 K CA -0.223 56.066 56.287 0.003 0.000 1.005 1310 K CB 0.593 33.095 32.500 0.002 0.000 1.336 1310 K HN 0.523 nan 8.250 nan 0.000 0.369 1311 V N 2.003 121.923 119.914 0.010 0.000 3.510 1311 V HA -0.165 3.955 4.120 -0.000 0.000 0.270 1311 V C 2.121 178.224 176.094 0.015 0.000 1.201 1311 V CA 1.088 63.398 62.300 0.017 0.000 1.166 1311 V CB -0.814 31.023 31.823 0.024 0.000 0.825 1311 V HN 0.743 nan 8.190 nan 0.000 0.484 1312 E N 1.880 122.086 120.200 0.010 0.000 2.103 1312 E HA -0.287 4.063 4.350 -0.000 0.000 0.229 1312 E C 1.919 178.524 176.600 0.009 0.000 1.061 1312 E CA 2.212 58.617 56.400 0.009 0.000 0.916 1312 E CB -0.558 29.145 29.700 0.006 0.000 0.806 1312 E HN 0.531 nan 8.360 nan 0.000 0.489 1313 G N -0.270 108.535 108.800 0.008 0.000 3.383 1313 G HA2 0.217 4.177 3.960 -0.000 0.000 0.251 1313 G HA3 0.217 4.177 3.960 -0.000 0.000 0.251 1313 G C 0.107 175.012 174.900 0.008 0.000 1.203 1313 G CA -0.365 44.739 45.100 0.007 0.000 0.852 1313 G HN 0.086 nan 8.290 nan 0.000 0.531 1314 M N 1.188 120.795 119.600 0.012 0.000 2.359 1314 M HA 0.325 4.805 4.480 -0.000 0.000 0.322 1314 M C 0.609 176.917 176.300 0.012 0.000 1.166 1314 M CA -0.451 54.857 55.300 0.014 0.000 1.067 1314 M CB 1.679 34.292 32.600 0.021 0.000 1.523 1314 M HN 0.143 nan 8.290 nan 0.000 0.467 1315 S N 0.895 116.601 115.700 0.011 0.000 2.610 1315 S HA 0.216 4.686 4.470 -0.000 0.000 0.273 1315 S C 0.687 175.293 174.600 0.010 0.000 1.274 1315 S CA -0.874 57.330 58.200 0.006 0.000 1.023 1315 S CB 1.115 64.316 63.200 0.001 0.000 0.962 1315 S HN 0.733 nan 8.310 nan 0.000 0.523 1316 L N 0.658 121.881 121.223 0.001 0.000 2.137 1316 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 1316 L C 2.272 179.145 176.870 0.004 0.000 1.085 1316 L CA 1.967 56.807 54.840 -0.001 0.000 0.760 1316 L CB -0.951 41.092 42.059 -0.027 0.000 0.893 1316 L HN 0.809 nan 8.230 nan 0.000 0.434 1317 E N -0.088 120.111 120.200 -0.001 0.000 2.006 1317 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 1317 E C 2.141 178.759 176.600 0.030 0.000 0.993 1317 E CA 1.304 57.709 56.400 0.008 0.000 0.808 1317 E CB -0.276 29.424 29.700 -0.001 0.000 0.764 1317 E HN 0.494 nan 8.360 nan 0.000 0.449 1318 E N 0.285 120.501 120.200 0.026 0.000 2.086 1318 E HA -0.245 4.105 4.350 -0.000 0.000 0.205 1318 E C 1.860 178.489 176.600 0.048 0.000 1.027 1318 E CA 1.887 58.306 56.400 0.032 0.000 0.830 1318 E CB -0.349 29.365 29.700 0.024 0.000 0.751 1318 E HN 0.295 nan 8.360 nan 0.000 0.456 1319 A N 0.409 123.261 122.820 0.052 0.000 1.877 1319 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 1319 A C 2.081 179.741 177.584 0.127 0.000 1.186 1319 A CA 1.727 53.808 52.037 0.074 0.000 0.620 1319 A CB -0.439 18.602 19.000 0.069 0.000 0.822 1319 A HN 0.103 nan 8.150 nan 0.000 0.443 1320 R N -0.313 120.280 120.500 0.155 0.000 2.091 1320 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 1320 R C 1.964 178.421 176.300 0.262 0.000 1.136 1320 R CA 1.481 57.769 56.100 0.312 0.000 0.959 1320 R CB -0.335 30.060 30.300 0.159 0.000 0.856 1320 R HN 0.536 nan 8.270 nan 0.000 0.437 1321 N N 0.376 119.162 118.700 0.144 0.000 2.166 1321 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 1321 N C 1.550 177.106 175.510 0.077 0.000 1.019 1321 N CA 1.402 54.516 53.050 0.107 0.000 0.856 1321 N CB -0.081 38.452 38.487 0.077 0.000 0.993 1321 N HN 0.233 nan 8.380 nan 0.000 0.426 1322 A N 0.628 123.486 122.820 0.063 0.000 2.066 1322 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 1322 A C 2.294 179.878 177.584 -0.001 0.000 1.157 1322 A CA 1.403 53.460 52.037 0.033 0.000 0.670 1322 A CB -0.302 18.716 19.000 0.030 0.000 0.804 1322 A HN 0.313 nan 8.150 nan 0.000 0.453 1323 A N -0.496 122.312 122.820 -0.020 0.000 1.840 1323 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 1323 A C 2.285 179.754 177.584 -0.191 0.000 1.198 1323 A CA 1.527 53.479 52.037 -0.141 0.000 0.608 1323 A CB -1.242 17.591 19.000 -0.279 0.000 0.839 1323 A HN 0.943 nan 8.150 nan 0.000 0.443 1324 V N 0.196 120.012 119.914 -0.164 0.000 2.380 1324 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 1324 V C 2.332 178.372 176.094 -0.090 0.000 1.063 1324 V CA 3.227 65.422 62.300 -0.174 0.000 1.055 1324 V CB -0.576 31.210 31.823 -0.062 0.000 0.657 1324 V HN 0.640 nan 8.190 nan 0.000 0.455 1325 E N 0.743 120.963 120.200 0.034 0.000 2.085 1325 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 1325 E C 2.171 178.798 176.600 0.044 0.000 0.994 1325 E CA 1.942 58.404 56.400 0.104 0.000 0.801 1325 E CB -0.820 28.923 29.700 0.072 0.000 0.743 1325 E HN 0.729 nan 8.360 nan 0.000 0.453 1326 A N -0.178 122.626 122.820 -0.027 0.000 1.933 1326 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 1326 A C 2.488 180.031 177.584 -0.070 0.000 1.175 1326 A CA 1.688 53.697 52.037 -0.046 0.000 0.628 1326 A CB -0.602 18.356 19.000 -0.069 0.000 0.814 1326 A HN 0.193 nan 8.150 nan 0.000 0.444 1327 V N -1.478 118.354 119.914 -0.136 0.000 2.283 1327 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 1327 V C 2.231 178.234 176.094 -0.152 0.000 1.039 1327 V CA 1.735 63.918 62.300 -0.196 0.000 1.016 1327 V CB -1.019 30.616 31.823 -0.312 0.000 0.650 1327 V HN 0.511 nan 8.190 nan 0.000 0.449 1328 F N 1.168 121.046 119.950 -0.120 0.000 2.147 1328 F HA -0.258 4.269 4.527 -0.000 0.000 0.301 1328 F C 2.395 178.141 175.800 -0.090 0.000 1.084 1328 F CA 1.422 59.354 58.000 -0.114 0.000 1.268 1328 F CB -1.104 37.826 39.000 -0.116 0.000 1.009 1328 F HN 0.109 nan 8.300 nan 0.000 0.486 1329 A N -0.343 122.542 122.820 0.107 0.000 1.858 1329 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 1329 A C 2.151 179.740 177.584 0.008 0.000 1.190 1329 A CA 1.499 53.560 52.037 0.041 0.000 0.617 1329 A CB -1.175 17.836 19.000 0.019 0.000 0.827 1329 A HN 0.290 nan 8.150 nan 0.000 0.443 1330 L N 0.680 121.893 121.223 -0.017 0.000 2.012 1330 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 1330 L C 1.907 178.758 176.870 -0.032 0.000 1.073 1330 L CA 2.542 57.362 54.840 -0.034 0.000 0.748 1330 L CB -1.162 40.862 42.059 -0.059 0.000 0.891 1330 L HN 0.441 nan 8.230 nan 0.000 0.431 1331 N N -0.596 118.083 118.700 -0.034 0.000 2.069 1331 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 1331 N C 1.906 177.407 175.510 -0.015 0.000 1.031 1331 N CA 1.662 54.693 53.050 -0.031 0.000 0.852 1331 N CB -0.234 38.236 38.487 -0.028 0.000 1.018 1331 N HN 0.290 nan 8.380 nan 0.000 0.423 1332 R N 0.376 120.879 120.500 0.005 0.000 2.082 1332 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 1332 R C 1.158 177.451 176.300 -0.012 0.000 1.136 1332 R CA 1.578 57.675 56.100 -0.005 0.000 0.935 1332 R CB -0.363 29.936 30.300 -0.002 0.000 0.842 1332 R HN 0.291 nan 8.270 nan 0.000 0.430 1333 D N -0.222 120.171 120.400 -0.011 0.000 2.221 1333 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 1333 D C 1.520 177.811 176.300 -0.016 0.000 0.982 1333 D CA 0.940 54.932 54.000 -0.013 0.000 0.857 1333 D CB 0.103 40.895 40.800 -0.014 0.000 0.934 1333 D HN 0.057 nan 8.370 nan 0.000 0.475 1334 V N -0.885 119.017 119.914 -0.019 0.000 3.621 1334 V HA 0.229 4.349 4.120 -0.000 0.000 0.285 1334 V C 1.351 177.433 176.094 -0.020 0.000 1.346 1334 V CA 0.752 63.040 62.300 -0.020 0.000 1.104 1334 V CB 0.461 32.269 31.823 -0.026 0.000 0.913 1334 V HN 0.361 nan 8.190 nan 0.000 0.432 1335 G N 1.103 109.890 108.800 -0.021 0.000 2.142 1335 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 1335 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 1335 G C -0.102 174.783 174.900 -0.025 0.000 1.015 1335 G CA 0.020 45.107 45.100 -0.021 0.000 0.716 1335 G HN 0.448 nan 8.290 nan 0.000 0.508 1336 I N 2.203 122.754 120.570 -0.031 0.000 2.365 1336 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 1336 I C -1.392 174.699 176.117 -0.044 0.000 1.004 1336 I CA -2.368 58.910 61.300 -0.038 0.000 1.311 1336 I CB 1.091 39.063 38.000 -0.046 0.000 1.401 1336 I HN -0.090 nan 8.210 nan 0.000 0.491 1337 P HA -0.037 nan 4.420 nan 0.000 0.261 1337 P C -2.084 175.156 177.300 -0.101 0.000 1.173 1337 P CA -0.831 62.231 63.100 -0.064 0.000 0.760 1337 P CB -0.103 31.563 31.700 -0.057 0.000 0.783 1338 P HA -0.107 nan 4.420 nan 0.000 0.219 1338 P C -0.153 176.873 177.300 -0.456 0.000 1.150 1338 P CA 1.497 64.388 63.100 -0.348 0.000 0.814 1338 P CB 0.067 31.408 31.700 -0.598 0.000 0.787 1339 H N -1.769 117.264 119.070 -0.062 0.000 2.524 1339 H HA 0.322 4.878 4.556 -0.000 0.000 0.353 1339 H C 1.263 176.459 175.328 -0.219 0.000 1.136 1339 H CA -0.827 55.138 56.048 -0.139 0.000 1.193 1339 H CB 1.423 31.035 29.762 -0.250 0.000 1.558 1339 H HN -0.282 nan 8.280 nan 0.000 0.515 1340 L N 1.117 122.286 121.223 -0.088 0.000 2.187 1340 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 1340 L C 2.709 179.359 176.870 -0.366 0.000 1.100 1340 L CA 1.305 56.056 54.840 -0.148 0.000 0.765 1340 L CB -0.308 41.748 42.059 -0.006 0.000 0.904 1340 L HN 0.678 nan 8.230 nan 0.000 0.437 1341 R N 0.339 120.357 120.500 -0.804 0.000 2.091 1341 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 1341 R C 1.418 177.431 176.300 -0.478 0.000 1.136 1341 R CA 2.055 57.482 56.100 -1.122 0.000 0.959 1341 R CB -0.667 28.522 30.300 -1.852 0.000 0.856 1341 R HN 0.355 nan 8.270 nan 0.000 0.437 1342 D N 1.007 121.220 120.400 -0.312 0.000 2.309 1342 D HA -0.081 4.559 4.640 -0.000 0.000 0.212 1342 D C 1.400 177.627 176.300 -0.123 0.000 0.968 1342 D CA 1.619 55.520 54.000 -0.165 0.000 0.882 1342 D CB 0.330 41.078 40.800 -0.086 0.000 0.918 1342 D HN 0.396 nan 8.370 nan 0.000 0.503 1343 V N -3.848 115.982 119.914 -0.141 0.000 3.006 1343 V HA 0.609 4.729 4.120 -0.000 0.000 0.357 1343 V C 1.098 177.111 176.094 -0.136 0.000 1.377 1343 V CA 0.129 62.368 62.300 -0.101 0.000 1.198 1343 V CB 0.275 32.053 31.823 -0.075 0.000 1.216 1343 V HN 0.139 nan 8.190 nan 0.000 0.520 1344 G N -0.091 108.615 108.800 -0.157 0.000 2.157 1344 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 1344 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 1344 G C 0.118 174.795 174.900 -0.371 0.000 0.979 1344 G CA 0.009 45.019 45.100 -0.150 0.000 0.650 1344 G HN 0.801 nan 8.290 nan 0.000 0.529 1345 V N 0.755 120.404 119.914 -0.443 0.000 2.740 1345 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 1345 V C 1.028 177.121 176.094 -0.002 0.000 1.054 1345 V CA 0.392 62.353 62.300 -0.565 0.000 1.106 1345 V CB 1.057 32.722 31.823 -0.263 0.000 0.957 1345 V HN 0.421 nan 8.190 nan 0.000 0.486 1346 R N 3.601 124.095 120.500 -0.009 0.000 2.437 1346 R HA 0.357 4.697 4.340 -0.000 0.000 0.310 1346 R C 0.847 177.082 176.300 -0.109 0.000 0.955 1346 R CA -0.706 55.439 56.100 0.075 0.000 0.851 1346 R CB 1.583 31.991 30.300 0.179 0.000 1.161 1346 R HN 0.579 nan 8.270 nan 0.000 0.446 1347 K N 2.131 122.333 120.400 -0.329 0.000 2.074 1347 K HA -0.289 4.031 4.320 -0.000 0.000 0.209 1347 K C 1.448 177.910 176.600 -0.231 0.000 1.048 1347 K CA 2.280 58.289 56.287 -0.463 0.000 0.926 1347 K CB 0.142 32.281 32.500 -0.601 0.000 0.713 1347 K HN 0.689 nan 8.250 nan 0.000 0.444 1348 E N 0.980 121.108 120.200 -0.121 0.000 2.114 1348 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 1348 E C 1.162 177.742 176.600 -0.034 0.000 1.008 1348 E CA 1.829 58.200 56.400 -0.048 0.000 0.810 1348 E CB -0.269 29.430 29.700 -0.002 0.000 0.739 1348 E HN 0.260 nan 8.360 nan 0.000 0.456 1349 D N 0.542 120.932 120.400 -0.017 0.000 2.317 1349 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 1349 D C 2.016 178.225 176.300 -0.151 0.000 0.966 1349 D CA 0.341 54.345 54.000 0.006 0.000 0.876 1349 D CB -0.116 40.774 40.800 0.149 0.000 0.927 1349 D HN 0.278 nan 8.370 nan 0.000 0.519 1350 I N 2.105 122.530 120.570 -0.241 0.000 2.143 1350 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 1350 I C -0.555 175.439 176.117 -0.205 0.000 1.068 1350 I CA 1.489 62.576 61.300 -0.355 0.000 1.326 1350 I CB -1.328 36.409 38.000 -0.438 0.000 1.028 1350 I HN 0.081 nan 8.210 nan 0.000 0.412 1351 P HA -0.264 nan 4.420 nan 0.000 0.215 1351 P C 1.416 178.698 177.300 -0.031 0.000 1.157 1351 P CA 2.505 65.593 63.100 -0.021 0.000 0.874 1351 P CB -0.120 31.582 31.700 0.004 0.000 0.790 1352 A N -0.081 122.713 122.820 -0.042 0.000 1.877 1352 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1352 A C 2.501 180.009 177.584 -0.127 0.000 1.186 1352 A CA 1.616 53.652 52.037 -0.003 0.000 0.620 1352 A CB -1.650 17.430 19.000 0.134 0.000 0.822 1352 A HN 0.114 nan 8.150 nan 0.000 0.443 1353 L N -0.651 120.343 121.223 -0.383 0.000 2.042 1353 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 1353 L C 3.083 179.898 176.870 -0.091 0.000 1.076 1353 L CA 1.225 55.754 54.840 -0.519 0.000 0.749 1353 L CB -0.627 40.858 42.059 -0.956 0.000 0.893 1353 L HN 0.435 nan 8.230 nan 0.000 0.432 1354 A N -0.514 122.312 122.820 0.011 0.000 1.902 1354 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 1354 A C 2.226 179.871 177.584 0.102 0.000 1.181 1354 A CA 1.863 54.022 52.037 0.202 0.000 0.623 1354 A CB -0.505 18.589 19.000 0.157 0.000 0.818 1354 A HN 0.410 nan 8.150 nan 0.000 0.443 1355 Q N 0.049 119.881 119.800 0.054 0.000 2.020 1355 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 1355 Q C 2.114 178.153 176.000 0.065 0.000 0.982 1355 Q CA 2.449 58.284 55.803 0.053 0.000 0.838 1355 Q CB -0.772 27.994 28.738 0.047 0.000 0.899 1355 Q HN 0.528 nan 8.270 nan 0.000 0.423 1356 A N 0.555 123.413 122.820 0.063 0.000 1.892 1356 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 1356 A C 2.333 179.981 177.584 0.107 0.000 1.188 1356 A CA 2.565 54.656 52.037 0.090 0.000 0.631 1356 A CB -1.431 17.613 19.000 0.073 0.000 0.822 1356 A HN 0.577 nan 8.150 nan 0.000 0.447 1357 A N -0.823 122.066 122.820 0.115 0.000 1.877 1357 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 1357 A C 2.125 179.749 177.584 0.067 0.000 1.186 1357 A CA 1.798 53.897 52.037 0.103 0.000 0.620 1357 A CB -0.688 18.369 19.000 0.096 0.000 0.822 1357 A HN 0.688 nan 8.150 nan 0.000 0.443 1358 L N 0.300 121.557 121.223 0.057 0.000 2.079 1358 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 1358 L C 1.477 178.378 176.870 0.053 0.000 1.081 1358 L CA 2.438 57.303 54.840 0.041 0.000 0.752 1358 L CB -0.710 41.371 42.059 0.037 0.000 0.896 1358 L HN 0.378 nan 8.230 nan 0.000 0.433 1359 D N -0.714 119.726 120.400 0.066 0.000 2.224 1359 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 1359 D C 0.544 176.896 176.300 0.087 0.000 0.965 1359 D CA 0.480 54.522 54.000 0.070 0.000 0.852 1359 D CB -0.322 40.522 40.800 0.072 0.000 0.947 1359 D HN 0.462 nan 8.370 nan 0.000 0.494 1360 D N -0.146 120.320 120.400 0.111 0.000 2.488 1360 D HA -0.058 4.582 4.640 -0.000 0.000 0.238 1360 D C 1.845 178.222 176.300 0.129 0.000 1.138 1360 D CA -0.038 54.052 54.000 0.150 0.000 0.873 1360 D CB 1.287 42.205 40.800 0.198 0.000 1.183 1360 D HN -0.134 nan 8.370 nan 0.000 0.458 1361 V N 1.657 121.652 119.914 0.135 0.000 2.380 1361 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 1361 V C 2.145 178.297 176.094 0.097 0.000 1.063 1361 V CA 1.492 63.851 62.300 0.099 0.000 1.055 1361 V CB -1.145 30.726 31.823 0.081 0.000 0.657 1361 V HN 0.761 nan 8.190 nan 0.000 0.455 1362 C N 0.697 120.075 119.300 0.130 0.000 2.429 1362 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 1362 C C 2.993 178.028 174.990 0.075 0.000 1.262 1362 C CA 1.480 60.562 59.018 0.107 0.000 1.733 1362 C CB -1.624 26.198 27.740 0.136 0.000 2.010 1362 C HN 0.695 nan 8.230 nan 0.000 0.483 1363 T N 1.189 115.787 114.554 0.073 0.000 2.597 1363 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 1363 T C 2.004 176.726 174.700 0.037 0.000 1.053 1363 T CA 2.172 64.299 62.100 0.044 0.000 1.165 1363 T CB -0.969 67.922 68.868 0.038 0.000 0.863 1363 T HN 0.684 nan 8.240 nan 0.000 0.427 1364 G N 0.508 109.333 108.800 0.041 0.000 2.568 1364 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.220 1364 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.220 1364 G C 1.461 176.381 174.900 0.034 0.000 1.104 1364 G CA 1.016 46.136 45.100 0.034 0.000 0.738 1364 G HN 0.623 nan 8.290 nan 0.000 0.574 1365 G N -0.088 108.737 108.800 0.041 0.000 2.623 1365 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.214 1365 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.214 1365 G C 0.740 175.662 174.900 0.037 0.000 1.138 1365 G CA -0.191 44.935 45.100 0.044 0.000 0.794 1365 G HN 0.423 nan 8.290 nan 0.000 0.535 1366 N N 1.494 120.213 118.700 0.032 0.000 2.294 1366 N HA 0.054 4.794 4.740 -0.000 0.000 0.263 1366 N C -0.715 174.801 175.510 0.010 0.000 1.281 1366 N CA -1.052 52.016 53.050 0.030 0.000 0.846 1366 N CB 1.414 39.923 38.487 0.036 0.000 1.061 1366 N HN -0.023 nan 8.380 nan 0.000 0.478 1367 P HA -0.215 nan 4.420 nan 0.000 0.216 1367 P C -0.083 177.152 177.300 -0.109 0.000 1.150 1367 P CA 1.287 64.389 63.100 0.003 0.000 0.843 1367 P CB 0.247 31.977 31.700 0.049 0.000 0.787 1368 R N 0.915 121.279 120.500 -0.227 0.000 2.255 1368 R HA 0.178 4.518 4.340 -0.000 0.000 0.326 1368 R C 0.180 176.337 176.300 -0.239 0.000 0.986 1368 R CA -0.502 55.258 56.100 -0.565 0.000 0.847 1368 R CB 0.599 30.333 30.300 -0.944 0.000 1.111 1368 R HN -0.008 nan 8.270 nan 0.000 0.452 1369 E N 2.195 122.261 120.200 -0.223 0.000 2.442 1369 E HA 0.092 4.442 4.350 -0.000 0.000 0.262 1369 E C -1.085 175.514 176.600 -0.001 0.000 1.004 1369 E CA 0.279 56.632 56.400 -0.077 0.000 0.928 1369 E CB 0.927 30.591 29.700 -0.060 0.000 0.937 1369 E HN 0.637 nan 8.360 nan 0.000 0.446 1370 A N 3.230 126.081 122.820 0.052 0.000 2.374 1370 A HA 0.576 4.896 4.320 -0.000 0.000 0.317 1370 A C -0.490 177.122 177.584 0.046 0.000 1.094 1370 A CA -0.629 51.467 52.037 0.098 0.000 0.765 1370 A CB 1.838 20.861 19.000 0.039 0.000 1.268 1370 A HN 0.560 nan 8.150 nan 0.000 0.438 1371 T N 1.490 116.076 114.554 0.052 0.000 2.949 1371 T HA 0.361 4.711 4.350 -0.000 0.000 0.287 1371 T C 1.395 176.106 174.700 0.019 0.000 1.034 1371 T CA -0.438 61.682 62.100 0.034 0.000 1.018 1371 T CB 1.122 70.016 68.868 0.044 0.000 1.135 1371 T HN 0.624 nan 8.240 nan 0.000 0.532 1372 L N 1.521 122.758 121.223 0.024 0.000 1.997 1372 L HA -0.161 4.179 4.340 -0.000 0.000 0.216 1372 L C 2.032 178.920 176.870 0.030 0.000 1.074 1372 L CA 2.127 56.984 54.840 0.028 0.000 0.763 1372 L CB -0.881 41.198 42.059 0.033 0.000 0.890 1372 L HN 0.668 nan 8.230 nan 0.000 0.434 1373 E N -0.533 119.688 120.200 0.034 0.000 2.208 1373 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 1373 E C 1.792 178.413 176.600 0.036 0.000 0.988 1373 E CA 1.216 57.640 56.400 0.040 0.000 0.828 1373 E CB -0.372 29.350 29.700 0.037 0.000 0.763 1373 E HN 0.614 nan 8.360 nan 0.000 0.478 1374 D N 0.221 120.636 120.400 0.025 0.000 2.117 1374 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 1374 D C 1.636 177.840 176.300 -0.160 0.000 0.982 1374 D CA 0.891 54.889 54.000 -0.003 0.000 0.828 1374 D CB -0.029 40.820 40.800 0.082 0.000 0.967 1374 D HN 0.148 nan 8.370 nan 0.000 0.464 1375 I N 0.218 120.698 120.570 -0.151 0.000 2.315 1375 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 1375 I C 2.144 178.234 176.117 -0.044 0.000 1.117 1375 I CA 0.488 61.672 61.300 -0.194 0.000 1.404 1375 I CB -0.267 37.659 38.000 -0.124 0.000 1.071 1375 I HN -0.046 nan 8.210 nan 0.000 0.419 1376 V N 0.893 120.852 119.914 0.076 0.000 2.233 1376 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 1376 V C 2.522 178.760 176.094 0.240 0.000 1.050 1376 V CA 1.949 64.366 62.300 0.196 0.000 1.010 1376 V CB -0.747 31.180 31.823 0.172 0.000 0.637 1376 V HN 0.421 nan 8.190 nan 0.000 0.444 1377 E N -0.115 120.160 120.200 0.125 0.000 2.108 1377 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 1377 E C 2.195 178.844 176.600 0.081 0.000 1.022 1377 E CA 1.811 58.270 56.400 0.098 0.000 0.823 1377 E CB -0.434 29.302 29.700 0.059 0.000 0.744 1377 E HN 0.512 nan 8.360 nan 0.000 0.456 1378 L N -0.316 120.882 121.223 -0.043 0.000 1.976 1378 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 1378 L C 2.584 179.391 176.870 -0.104 0.000 1.071 1378 L CA 1.366 56.119 54.840 -0.145 0.000 0.746 1378 L CB -0.560 41.283 42.059 -0.360 0.000 0.890 1378 L HN 0.090 nan 8.230 nan 0.000 0.432 1379 Y N -0.300 119.955 120.300 -0.076 0.000 2.114 1379 Y HA -0.337 4.213 4.550 -0.000 0.000 0.282 1379 Y C 2.692 178.554 175.900 -0.063 0.000 1.165 1379 Y CA 1.858 59.901 58.100 -0.094 0.000 1.148 1379 Y CB -0.932 37.441 38.460 -0.146 0.000 0.972 1379 Y HN 0.232 nan 8.280 nan 0.000 0.504 1380 H N -1.060 118.091 119.070 0.135 0.000 2.265 1380 H HA -0.180 4.376 4.556 -0.000 0.000 0.295 1380 H C 2.314 177.701 175.328 0.100 0.000 1.084 1380 H CA 2.688 58.781 56.048 0.076 0.000 1.261 1380 H CB -0.540 29.232 29.762 0.015 0.000 1.360 1380 H HN 0.377 nan 8.280 nan 0.000 0.487 1381 T N -1.660 112.992 114.554 0.163 0.000 2.929 1381 T HA -0.073 4.277 4.350 -0.000 0.000 0.271 1381 T C 2.002 176.626 174.700 -0.127 0.000 1.085 1381 T CA 0.919 63.062 62.100 0.072 0.000 1.125 1381 T CB -0.240 68.683 68.868 0.091 0.000 0.874 1381 T HN 0.421 nan 8.240 nan 0.000 0.494 1382 A N -0.462 122.224 122.820 -0.224 0.000 2.195 1382 A HA 0.370 4.690 4.320 -0.000 0.000 0.210 1382 A C 0.865 178.466 177.584 0.029 0.000 1.165 1382 A CA -0.608 51.202 52.037 -0.378 0.000 0.806 1382 A CB -0.592 18.213 19.000 -0.326 0.000 0.847 1382 A HN 0.633 nan 8.150 nan 0.000 0.482 1383 W N 0.000 121.273 121.300 -0.046 0.000 2.388 1383 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 1383 W CA 0.000 57.336 57.345 -0.015 0.000 1.226 1383 W CB 0.000 29.429 29.460 -0.052 0.000 1.126 1383 W HN 0.000 nan 8.180 nan 0.000 0.535