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 2bi4_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 0.000 176.213 176.300 -0.145 0.000 1.140 1002 M CA 0.000 55.246 55.300 -0.091 0.000 0.988 1002 M CB 0.000 32.554 32.600 -0.076 0.000 1.302 1003 A N 1.191 123.918 122.820 -0.155 0.000 2.271 1003 A HA 0.769 5.089 4.320 -0.000 0.000 0.288 1003 A C -0.774 176.632 177.584 -0.296 0.000 1.094 1003 A CA -0.705 51.196 52.037 -0.227 0.000 0.828 1003 A CB 0.365 19.263 19.000 -0.170 0.000 1.091 1003 A HN 0.775 nan 8.150 nan 0.000 0.493 1004 N N 1.060 119.477 118.700 -0.471 0.000 2.399 1004 N HA 0.303 5.043 4.740 -0.000 0.000 0.295 1004 N C -0.630 174.722 175.510 -0.263 0.000 1.048 1004 N CA -0.412 52.324 53.050 -0.523 0.000 0.886 1004 N CB 1.792 39.463 38.487 -1.360 0.000 1.185 1004 N HN 0.662 nan 8.380 nan 0.000 0.487 1005 R N 2.605 123.044 120.500 -0.100 0.000 2.532 1005 R HA 0.448 4.788 4.340 -0.000 0.000 0.295 1005 R C -1.110 175.225 176.300 0.058 0.000 0.968 1005 R CA -0.358 55.726 56.100 -0.027 0.000 0.916 1005 R CB 0.914 31.194 30.300 -0.034 0.000 1.124 1005 R HN 0.470 nan 8.270 nan 0.000 0.463 1006 M N 5.665 125.303 119.600 0.064 0.000 2.321 1006 M HA 0.465 4.945 4.480 -0.000 0.000 0.315 1006 M C -0.804 175.504 176.300 0.015 0.000 1.052 1006 M CA -0.690 54.656 55.300 0.077 0.000 0.936 1006 M CB 1.806 34.480 32.600 0.125 0.000 1.639 1006 M HN 0.534 nan 8.290 nan 0.000 0.433 1007 I N 5.119 125.680 120.570 -0.016 0.000 2.448 1007 I HA 0.456 4.626 4.170 -0.000 0.000 0.281 1007 I C -0.743 175.342 176.117 -0.054 0.000 1.027 1007 I CA -0.314 60.963 61.300 -0.038 0.000 1.111 1007 I CB 1.412 39.378 38.000 -0.056 0.000 1.236 1007 I HN 0.525 nan 8.210 nan 0.000 0.452 1008 L N 4.499 125.702 121.223 -0.034 0.000 2.235 1008 L HA 0.511 4.851 4.340 -0.000 0.000 0.260 1008 L C -0.151 176.717 176.870 -0.003 0.000 1.025 1008 L CA -1.107 53.717 54.840 -0.027 0.000 0.836 1008 L CB 1.610 43.668 42.059 -0.001 0.000 1.395 1008 L HN 0.464 nan 8.230 nan 0.000 0.443 1009 N N 0.460 119.179 118.700 0.032 0.000 2.475 1009 N HA -0.005 4.735 4.740 -0.000 0.000 0.267 1009 N C 0.493 176.010 175.510 0.012 0.000 1.169 1009 N CA -0.115 52.954 53.050 0.032 0.000 0.947 1009 N CB 1.033 39.560 38.487 0.067 0.000 1.061 1009 N HN 0.583 nan 8.380 nan 0.000 0.466 1010 E N 1.276 121.474 120.200 -0.003 0.000 2.338 1010 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 1010 E C -0.522 176.054 176.600 -0.040 0.000 1.007 1010 E CA 0.745 57.138 56.400 -0.013 0.000 0.849 1010 E CB 0.360 30.058 29.700 -0.003 0.000 0.774 1010 E HN 0.501 nan 8.360 nan 0.000 0.506 1011 T N -0.148 114.369 114.554 -0.062 0.000 2.993 1011 T HA 0.687 5.037 4.350 -0.000 0.000 0.312 1011 T C -1.558 173.009 174.700 -0.222 0.000 1.115 1011 T CA -0.273 61.744 62.100 -0.138 0.000 1.027 1011 T CB 1.788 70.598 68.868 -0.096 0.000 1.116 1011 T HN 0.136 nan 8.240 nan 0.000 0.464 1012 A N 2.035 124.632 122.820 -0.371 0.000 2.547 1012 A HA 0.769 5.089 4.320 -0.000 0.000 0.297 1012 A C -2.334 174.780 177.584 -0.784 0.000 1.056 1012 A CA -0.926 50.784 52.037 -0.545 0.000 0.688 1012 A CB 1.240 19.963 19.000 -0.461 0.000 1.282 1012 A HN 0.748 nan 8.150 nan 0.000 0.400 1013 W N 0.815 121.654 121.300 -0.770 0.000 2.632 1013 W HA 0.752 5.412 4.660 -0.000 0.000 0.328 1013 W C -0.961 175.140 176.519 -0.696 0.000 1.044 1013 W CA -0.161 56.898 57.345 -0.478 0.000 1.225 1013 W CB 1.768 31.111 29.460 -0.195 0.000 1.396 1013 W HN 0.524 nan 8.180 nan 0.000 0.499 1014 F N 1.880 121.892 119.950 0.104 0.000 2.563 1014 F HA 0.819 5.346 4.527 -0.000 0.000 0.316 1014 F C 0.784 176.638 175.800 0.090 0.000 1.076 1014 F CA -0.928 57.087 58.000 0.025 0.000 0.921 1014 F CB 2.093 41.038 39.000 -0.092 0.000 1.209 1014 F HN 0.559 nan 8.300 nan 0.000 0.462 1015 G N 1.558 110.508 108.800 0.249 0.000 2.650 1015 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 1015 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 1015 G C -1.079 173.894 174.900 0.121 0.000 1.205 1015 G CA -1.447 43.754 45.100 0.167 0.000 0.781 1015 G HN 0.613 nan 8.290 nan 0.000 0.648 1016 R N 0.686 121.237 120.500 0.085 0.000 2.763 1016 R HA 0.266 4.606 4.340 -0.000 0.000 0.348 1016 R C 1.585 177.912 176.300 0.046 0.000 0.826 1016 R CA 1.670 57.803 56.100 0.056 0.000 1.109 1016 R CB -0.615 29.710 30.300 0.041 0.000 0.889 1016 R HN 2.437 nan 8.270 nan 0.000 0.402 1017 G N 1.253 110.071 108.800 0.030 0.000 2.148 1017 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.203 1017 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.203 1017 G C 0.861 175.758 174.900 -0.004 0.000 0.993 1017 G CA 0.194 45.294 45.100 -0.000 0.000 0.661 1017 G HN 0.677 nan 8.290 nan 0.000 0.518 1018 A N 0.193 123.047 122.820 0.057 0.000 2.070 1018 A HA 0.217 4.537 4.320 -0.000 0.000 0.220 1018 A C 2.712 180.318 177.584 0.037 0.000 1.159 1018 A CA 2.916 55.025 52.037 0.119 0.000 0.656 1018 A CB -0.545 18.594 19.000 0.232 0.000 0.800 1018 A HN 1.670 nan 8.150 nan 0.000 0.453 1019 V N -1.938 117.936 119.914 -0.065 0.000 2.594 1019 V HA -0.077 4.043 4.120 -0.000 0.000 0.253 1019 V C 2.305 178.189 176.094 -0.350 0.000 1.069 1019 V CA 1.691 63.829 62.300 -0.269 0.000 1.082 1019 V CB -1.856 29.845 31.823 -0.203 0.000 0.680 1019 V HN 0.385 nan 8.190 nan 0.000 0.469 1020 G N 0.411 109.069 108.800 -0.236 0.000 2.442 1020 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 1020 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 1020 G C 1.592 176.300 174.900 -0.320 0.000 1.141 1020 G CA 0.988 45.946 45.100 -0.236 0.000 0.763 1020 G HN 0.895 nan 8.290 nan 0.000 0.554 1021 A N -0.082 122.473 122.820 -0.442 0.000 2.209 1021 A HA 0.272 4.592 4.320 -0.000 0.000 0.212 1021 A C 2.148 179.507 177.584 -0.374 0.000 1.158 1021 A CA 1.138 52.806 52.037 -0.616 0.000 0.742 1021 A CB -0.207 17.889 19.000 -1.507 0.000 0.790 1021 A HN 0.401 nan 8.150 nan 0.000 0.472 1022 L N 0.570 121.471 121.223 -0.536 0.000 1.948 1022 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 1022 L C 2.855 179.600 176.870 -0.209 0.000 1.074 1022 L CA 3.160 57.632 54.840 -0.613 0.000 0.753 1022 L CB -1.306 40.229 42.059 -0.873 0.000 0.888 1022 L HN 0.557 nan 8.230 nan 0.000 0.432 1023 T N -3.329 111.112 114.554 -0.189 0.000 2.653 1023 T HA -0.324 4.026 4.350 -0.000 0.000 0.267 1023 T C 1.825 176.491 174.700 -0.057 0.000 1.037 1023 T CA 1.958 64.007 62.100 -0.084 0.000 1.159 1023 T CB -1.007 67.812 68.868 -0.081 0.000 0.859 1023 T HN 0.503 nan 8.240 nan 0.000 0.449 1024 D N 0.792 121.143 120.400 -0.083 0.000 2.097 1024 D HA -0.091 4.549 4.640 -0.000 0.000 0.195 1024 D C 2.429 178.713 176.300 -0.027 0.000 0.989 1024 D CA 1.186 55.152 54.000 -0.056 0.000 0.827 1024 D CB -0.109 40.644 40.800 -0.077 0.000 0.966 1024 D HN 0.496 nan 8.370 nan 0.000 0.456 1025 E N 0.666 120.876 120.200 0.017 0.000 2.038 1025 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 1025 E C 2.500 179.062 176.600 -0.062 0.000 1.000 1025 E CA 0.441 56.881 56.400 0.067 0.000 0.803 1025 E CB -0.487 29.372 29.700 0.265 0.000 0.750 1025 E HN 0.160 nan 8.360 nan 0.000 0.448 1026 V N 1.860 121.744 119.914 -0.050 0.000 2.278 1026 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 1026 V C 2.361 178.311 176.094 -0.239 0.000 1.062 1026 V CA 2.160 64.362 62.300 -0.163 0.000 1.038 1026 V CB -0.486 31.343 31.823 0.011 0.000 0.646 1026 V HN 0.242 nan 8.190 nan 0.000 0.447 1027 K N -0.237 120.093 120.400 -0.115 0.000 2.001 1027 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 1027 K C 2.238 178.766 176.600 -0.120 0.000 1.048 1027 K CA 1.204 57.434 56.287 -0.095 0.000 0.932 1027 K CB -0.296 32.177 32.500 -0.045 0.000 0.715 1027 K HN 0.330 nan 8.250 nan 0.000 0.437 1028 R N 1.156 121.597 120.500 -0.098 0.000 2.355 1028 R HA -0.104 4.236 4.340 -0.000 0.000 0.219 1028 R C 0.843 177.060 176.300 -0.139 0.000 1.107 1028 R CA 0.866 56.917 56.100 -0.082 0.000 1.021 1028 R CB -0.065 30.216 30.300 -0.031 0.000 0.852 1028 R HN 0.291 nan 8.270 nan 0.000 0.475 1029 R N -1.201 119.141 120.500 -0.263 0.000 2.688 1029 R HA 0.125 4.465 4.340 -0.000 0.000 0.396 1029 R C -0.094 175.910 176.300 -0.494 0.000 1.081 1029 R CA 0.037 55.910 56.100 -0.379 0.000 1.093 1029 R CB -0.022 29.963 30.300 -0.525 0.000 1.338 1029 R HN -0.005 nan 8.270 nan 0.000 0.613 1030 G N 2.200 110.838 108.800 -0.270 0.000 2.330 1030 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 1030 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 1030 G C -0.524 174.323 174.900 -0.089 0.000 0.358 1030 G CA 0.632 45.641 45.100 -0.152 0.000 1.074 1030 G HN 0.353 nan 8.290 nan 0.000 0.466 1031 Y N 0.279 120.531 120.300 -0.081 0.000 2.616 1031 Y HA 0.463 5.013 4.550 -0.000 0.000 0.389 1031 Y C 1.538 177.470 175.900 0.053 0.000 1.342 1031 Y CA -0.850 57.210 58.100 -0.066 0.000 1.625 1031 Y CB 0.465 38.697 38.460 -0.379 0.000 1.685 1031 Y HN 0.342 nan 8.280 nan 0.000 0.650 1032 Q N -0.501 119.522 119.800 0.371 0.000 2.497 1032 Q HA 0.193 4.533 4.340 -0.000 0.000 0.201 1032 Q C -0.482 175.691 176.000 0.288 0.000 0.724 1032 Q CA 0.296 56.251 55.803 0.253 0.000 0.923 1032 Q CB 0.921 29.757 28.738 0.163 0.000 1.302 1032 Q HN 0.526 nan 8.270 nan 0.000 0.484 1033 K N -0.089 120.503 120.400 0.320 0.000 2.469 1033 K HA 0.757 5.077 4.320 -0.000 0.000 0.254 1033 K C -1.755 174.837 176.600 -0.013 0.000 0.939 1033 K CA -0.413 55.989 56.287 0.191 0.000 0.812 1033 K CB 2.320 34.855 32.500 0.059 0.000 1.301 1033 K HN 0.088 nan 8.250 nan 0.000 0.433 1034 A N 2.857 125.565 122.820 -0.187 0.000 2.365 1034 A HA 0.590 4.910 4.320 -0.000 0.000 0.318 1034 A C -1.717 175.783 177.584 -0.140 0.000 1.091 1034 A CA -0.728 50.959 52.037 -0.584 0.000 0.763 1034 A CB 1.214 19.732 19.000 -0.804 0.000 1.248 1034 A HN 0.563 nan 8.150 nan 0.000 0.442 1035 L N 3.196 124.367 121.223 -0.087 0.000 2.262 1035 L HA 0.561 4.901 4.340 -0.000 0.000 0.288 1035 L C -1.149 175.754 176.870 0.055 0.000 1.035 1035 L CA -0.400 54.497 54.840 0.096 0.000 0.820 1035 L CB 0.653 42.881 42.059 0.281 0.000 1.204 1035 L HN 0.531 nan 8.230 nan 0.000 0.424 1036 I N 6.377 127.007 120.570 0.101 0.000 2.379 1036 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 1036 I C -0.096 176.070 176.117 0.082 0.000 1.063 1036 I CA -0.039 61.286 61.300 0.041 0.000 1.351 1036 I CB 1.145 39.140 38.000 -0.008 0.000 1.410 1036 I HN 0.226 nan 8.210 nan 0.000 0.505 1037 V N 7.456 127.402 119.914 0.052 0.000 2.383 1037 V HA 0.713 4.833 4.120 -0.000 0.000 0.275 1037 V C 0.339 176.420 176.094 -0.022 0.000 1.036 1037 V CA -0.048 62.300 62.300 0.079 0.000 0.889 1037 V CB 0.965 32.837 31.823 0.082 0.000 0.985 1037 V HN 0.980 nan 8.190 nan 0.000 0.459 1038 T N 2.211 116.698 114.554 -0.111 0.000 2.647 1038 T HA 0.330 4.680 4.350 -0.000 0.000 0.302 1038 T C -1.220 173.373 174.700 -0.178 0.000 1.389 1038 T CA -0.763 61.264 62.100 -0.121 0.000 1.037 1038 T CB 1.386 70.198 68.868 -0.093 0.000 1.755 1038 T HN 0.513 nan 8.240 nan 0.000 0.467 1039 D N -0.094 120.233 120.400 -0.121 0.000 2.549 1039 D HA 0.465 5.105 4.640 -0.000 0.000 0.270 1039 D C 0.691 176.934 176.300 -0.095 0.000 1.181 1039 D CA -0.564 53.373 54.000 -0.106 0.000 1.070 1039 D CB 1.807 42.569 40.800 -0.063 0.000 1.154 1039 D HN 0.391 nan 8.370 nan 0.000 0.602 1040 K N -0.769 119.588 120.400 -0.071 0.000 2.313 1040 K HA 0.052 4.372 4.320 -0.000 0.000 0.197 1040 K C 1.707 178.285 176.600 -0.035 0.000 1.061 1040 K CA 0.290 56.546 56.287 -0.051 0.000 0.980 1040 K CB 0.300 32.776 32.500 -0.041 0.000 0.888 1040 K HN 0.221 nan 8.250 nan 0.000 0.502 1041 T N 2.224 116.759 114.554 -0.033 0.000 2.652 1041 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 1041 T C 1.526 176.210 174.700 -0.026 0.000 1.039 1041 T CA 1.024 63.110 62.100 -0.023 0.000 1.153 1041 T CB -0.112 68.745 68.868 -0.018 0.000 0.863 1041 T HN 0.021 nan 8.240 nan 0.000 0.428 1042 L N 0.976 122.179 121.223 -0.034 0.000 2.079 1042 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 1042 L C 2.586 179.430 176.870 -0.044 0.000 1.081 1042 L CA 1.212 56.029 54.840 -0.038 0.000 0.752 1042 L CB -1.343 40.689 42.059 -0.045 0.000 0.896 1042 L HN 0.171 nan 8.230 nan 0.000 0.433 1043 V N -0.947 118.941 119.914 -0.044 0.000 2.270 1043 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 1043 V C 2.462 178.540 176.094 -0.026 0.000 1.043 1043 V CA 1.418 63.695 62.300 -0.039 0.000 1.014 1043 V CB -0.581 31.225 31.823 -0.029 0.000 0.645 1043 V HN 0.476 nan 8.190 nan 0.000 0.447 1044 Q N -1.095 118.693 119.800 -0.020 0.000 2.170 1044 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 1044 Q C 2.110 178.102 176.000 -0.014 0.000 0.976 1044 Q CA 1.731 57.527 55.803 -0.012 0.000 0.858 1044 Q CB -0.352 28.381 28.738 -0.009 0.000 0.907 1044 Q HN 0.588 nan 8.270 nan 0.000 0.433 1045 C N 0.486 119.775 119.300 -0.018 0.000 2.536 1045 C HA 0.140 4.600 4.460 -0.000 0.000 0.285 1045 C C 1.527 176.503 174.990 -0.022 0.000 1.371 1045 C CA 0.459 59.467 59.018 -0.018 0.000 1.675 1045 C CB -1.552 26.178 27.740 -0.017 0.000 1.689 1045 C HN 0.801 nan 8.230 nan 0.000 0.589 1046 G N 0.599 109.383 108.800 -0.026 0.000 2.187 1046 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.261 1046 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.261 1046 G C 0.595 175.467 174.900 -0.046 0.000 1.000 1046 G CA 0.747 45.828 45.100 -0.033 0.000 0.718 1046 G HN 0.418 nan 8.290 nan 0.000 0.519 1047 V N -0.541 119.343 119.914 -0.050 0.000 2.446 1047 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 1047 V C 2.746 178.787 176.094 -0.088 0.000 1.039 1047 V CA 1.639 63.904 62.300 -0.058 0.000 1.045 1047 V CB -0.246 31.550 31.823 -0.045 0.000 0.681 1047 V HN 0.292 nan 8.190 nan 0.000 0.459 1048 V N 0.817 120.669 119.914 -0.104 0.000 2.358 1048 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 1048 V C 2.838 178.809 176.094 -0.205 0.000 1.047 1048 V CA 1.811 64.015 62.300 -0.160 0.000 1.035 1048 V CB -1.195 30.528 31.823 -0.167 0.000 0.658 1048 V HN 0.522 nan 8.190 nan 0.000 0.452 1049 A N 0.041 122.769 122.820 -0.154 0.000 1.915 1049 A HA -0.351 3.969 4.320 -0.000 0.000 0.220 1049 A C 2.249 179.746 177.584 -0.145 0.000 1.198 1049 A CA 2.465 54.419 52.037 -0.139 0.000 0.647 1049 A CB -0.622 18.335 19.000 -0.071 0.000 0.825 1049 A HN 0.555 nan 8.150 nan 0.000 0.456 1050 K N -1.000 119.328 120.400 -0.121 0.000 2.173 1050 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 1050 K C 1.740 178.249 176.600 -0.152 0.000 1.046 1050 K CA 1.670 57.889 56.287 -0.113 0.000 0.929 1050 K CB -0.296 32.147 32.500 -0.094 0.000 0.720 1050 K HN 0.426 nan 8.250 nan 0.000 0.453 1051 V N 0.164 119.956 119.914 -0.205 0.000 2.581 1051 V HA -0.155 3.964 4.120 -0.000 0.000 0.240 1051 V C 2.456 178.359 176.094 -0.318 0.000 1.054 1051 V CA 1.812 63.960 62.300 -0.253 0.000 1.076 1051 V CB -0.183 31.478 31.823 -0.270 0.000 0.748 1051 V HN 0.472 nan 8.190 nan 0.000 0.474 1052 T N -1.479 112.798 114.554 -0.462 0.000 2.759 1052 T HA -0.273 4.077 4.350 -0.000 0.000 0.269 1052 T C 1.503 176.059 174.700 -0.240 0.000 1.042 1052 T CA 1.948 63.640 62.100 -0.680 0.000 1.140 1052 T CB -0.525 67.735 68.868 -1.012 0.000 0.864 1052 T HN 0.376 nan 8.240 nan 0.000 0.455 1053 D N 1.630 121.943 120.400 -0.145 0.000 2.104 1053 D HA -0.045 4.595 4.640 -0.000 0.000 0.194 1053 D C 2.259 178.537 176.300 -0.037 0.000 0.994 1053 D CA 1.248 55.222 54.000 -0.043 0.000 0.830 1053 D CB -0.232 40.540 40.800 -0.046 0.000 0.959 1053 D HN 0.533 nan 8.370 nan 0.000 0.452 1054 K N -0.071 120.279 120.400 -0.083 0.000 2.057 1054 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 1054 K C 2.312 178.885 176.600 -0.045 0.000 1.049 1054 K CA 0.866 57.107 56.287 -0.075 0.000 0.931 1054 K CB -0.115 32.313 32.500 -0.120 0.000 0.714 1054 K HN 0.146 nan 8.250 nan 0.000 0.440 1055 M N 0.996 120.564 119.600 -0.053 0.000 2.086 1055 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 1055 M C 1.509 177.883 176.300 0.123 0.000 1.067 1055 M CA 1.452 56.770 55.300 0.030 0.000 1.116 1055 M CB -0.319 32.294 32.600 0.021 0.000 1.348 1055 M HN 0.083 nan 8.290 nan 0.000 0.407 1056 D N 0.721 121.222 120.400 0.169 0.000 2.092 1056 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 1056 D C 1.992 178.350 176.300 0.096 0.000 0.994 1056 D CA 1.880 55.995 54.000 0.192 0.000 0.828 1056 D CB -0.386 40.542 40.800 0.212 0.000 0.963 1056 D HN 0.346 nan 8.370 nan 0.000 0.450 1057 A N 0.921 123.776 122.820 0.057 0.000 1.940 1057 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 1057 A C 2.176 179.775 177.584 0.024 0.000 1.176 1057 A CA 2.279 54.333 52.037 0.029 0.000 0.631 1057 A CB -0.617 18.387 19.000 0.008 0.000 0.814 1057 A HN 0.255 nan 8.150 nan 0.000 0.446 1058 A N -1.665 121.170 122.820 0.025 0.000 2.238 1058 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 1058 A C 1.700 179.308 177.584 0.040 0.000 1.177 1058 A CA 1.126 53.175 52.037 0.020 0.000 0.804 1058 A CB -1.104 17.899 19.000 0.005 0.000 0.823 1058 A HN 1.966 nan 8.150 nan 0.000 0.482 1059 G N -0.696 108.139 108.800 0.058 0.000 2.221 1059 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.265 1059 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.265 1059 G C -0.098 174.855 174.900 0.088 0.000 1.041 1059 G CA 0.385 45.523 45.100 0.063 0.000 0.807 1059 G HN 0.483 nan 8.290 nan 0.000 0.502 1060 L N 0.136 121.439 121.223 0.133 0.000 2.289 1060 L HA 0.707 5.047 4.340 -0.000 0.000 0.285 1060 L C 0.954 177.966 176.870 0.238 0.000 1.049 1060 L CA -0.549 54.400 54.840 0.182 0.000 0.804 1060 L CB 1.672 43.851 42.059 0.200 0.000 1.195 1060 L HN 0.310 nan 8.230 nan 0.000 0.428 1061 A N 5.052 127.981 122.820 0.182 0.000 2.401 1061 A HA 0.547 4.867 4.320 -0.000 0.000 0.259 1061 A C -0.790 176.912 177.584 0.196 0.000 1.103 1061 A CA -0.330 51.766 52.037 0.097 0.000 0.789 1061 A CB 0.306 19.331 19.000 0.043 0.000 1.035 1061 A HN 0.812 nan 8.150 nan 0.000 0.491 1062 W N -0.138 121.164 121.300 0.004 0.000 3.296 1062 W HA 0.708 5.368 4.660 -0.000 0.000 0.314 1062 W C -0.989 175.517 176.519 -0.023 0.000 1.238 1062 W CA -0.733 56.597 57.345 -0.025 0.000 1.193 1062 W CB 1.286 30.732 29.460 -0.024 0.000 1.383 1062 W HN 1.033 nan 8.180 nan 0.000 0.545 1063 A N 3.804 126.776 122.820 0.254 0.000 2.386 1063 A HA 0.806 5.126 4.320 -0.000 0.000 0.311 1063 A C -1.794 176.000 177.584 0.349 0.000 1.068 1063 A CA -0.869 51.260 52.037 0.153 0.000 0.743 1063 A CB 2.169 21.188 19.000 0.032 0.000 1.258 1063 A HN 0.773 nan 8.150 nan 0.000 0.429 1064 I N 0.665 121.443 120.570 0.346 0.000 2.707 1064 I HA 0.675 4.845 4.170 -0.000 0.000 0.309 1064 I C -1.581 174.696 176.117 0.266 0.000 1.001 1064 I CA -0.923 60.561 61.300 0.307 0.000 1.129 1064 I CB 1.929 40.128 38.000 0.332 0.000 1.308 1064 I HN 0.723 nan 8.210 nan 0.000 0.466 1065 Y N 5.497 125.847 120.300 0.083 0.000 2.359 1065 Y HA 0.306 4.856 4.550 -0.000 0.000 0.336 1065 Y C -1.101 174.820 175.900 0.035 0.000 1.098 1065 Y CA -1.688 56.445 58.100 0.055 0.000 1.272 1065 Y CB 0.541 39.032 38.460 0.051 0.000 1.112 1065 Y HN 0.584 nan 8.280 nan 0.000 0.481 1066 D N 1.612 121.783 120.400 -0.381 0.000 2.587 1066 D HA 0.226 4.866 4.640 -0.000 0.000 0.233 1066 D C 1.378 177.372 176.300 -0.509 0.000 1.213 1066 D CA 0.147 53.911 54.000 -0.392 0.000 0.827 1066 D CB 0.269 40.975 40.800 -0.157 0.000 1.006 1066 D HN 0.691 nan 8.370 nan 0.000 0.490 1067 G N -0.212 107.946 108.800 -1.070 0.000 2.813 1067 G HA2 0.045 4.005 3.960 -0.000 0.000 0.209 1067 G HA3 0.045 4.005 3.960 -0.000 0.000 0.209 1067 G C 0.609 175.323 174.900 -0.310 0.000 1.150 1067 G CA -0.147 44.627 45.100 -0.544 0.000 0.785 1067 G HN 0.261 nan 8.290 nan 0.000 0.535 1068 V N 0.864 120.544 119.914 -0.390 0.000 2.872 1068 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 1068 V C 0.626 176.673 176.094 -0.079 0.000 1.072 1068 V CA -0.198 62.019 62.300 -0.139 0.000 1.148 1068 V CB 1.161 32.916 31.823 -0.114 0.000 0.954 1068 V HN 0.271 nan 8.190 nan 0.000 0.490 1069 V N 2.216 122.115 119.914 -0.025 0.000 3.040 1069 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 1069 V C -2.889 173.208 176.094 0.005 0.000 1.115 1069 V CA -3.012 59.283 62.300 -0.010 0.000 0.998 1069 V CB 1.839 33.666 31.823 0.006 0.000 1.042 1069 V HN 0.664 nan 8.190 nan 0.000 0.433 1070 P HA 0.207 nan 4.420 nan 0.000 0.265 1070 P C -0.358 176.961 177.300 0.033 0.000 1.193 1070 P CA 0.727 63.841 63.100 0.025 0.000 0.765 1070 P CB -0.264 31.455 31.700 0.031 0.000 0.823 1071 N N 0.669 119.390 118.700 0.035 0.000 2.681 1071 N HA -0.142 4.598 4.740 -0.000 0.000 0.259 1071 N C -2.418 173.110 175.510 0.029 0.000 1.066 1071 N CA -0.351 52.722 53.050 0.037 0.000 0.717 1071 N CB -1.467 37.057 38.487 0.062 0.000 0.885 1071 N HN 0.409 nan 8.380 nan 0.000 0.547 1072 P HA -0.054 nan 4.420 nan 0.000 0.261 1072 P C 0.305 177.625 177.300 0.034 0.000 1.173 1072 P CA 0.433 63.548 63.100 0.025 0.000 0.760 1072 P CB 0.566 32.276 31.700 0.016 0.000 0.783 1073 T N -0.233 114.355 114.554 0.057 0.000 2.944 1073 T HA 0.403 4.753 4.350 -0.000 0.000 0.284 1073 T C 1.423 176.183 174.700 0.099 0.000 1.010 1073 T CA -0.845 61.304 62.100 0.082 0.000 1.025 1073 T CB 0.567 69.479 68.868 0.073 0.000 1.079 1073 T HN 0.158 nan 8.240 nan 0.000 0.516 1074 I N 1.158 121.810 120.570 0.136 0.000 2.236 1074 I HA -0.254 3.916 4.170 -0.000 0.000 0.249 1074 I C 3.019 179.192 176.117 0.093 0.000 1.102 1074 I CA 2.069 63.454 61.300 0.141 0.000 1.365 1074 I CB -0.931 37.160 38.000 0.152 0.000 1.051 1074 I HN 0.955 nan 8.210 nan 0.000 0.420 1075 T N -1.313 113.289 114.554 0.079 0.000 2.788 1075 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 1075 T C 1.824 176.569 174.700 0.074 0.000 1.044 1075 T CA 1.276 63.415 62.100 0.064 0.000 1.139 1075 T CB -0.902 68.000 68.868 0.056 0.000 0.867 1075 T HN 0.167 nan 8.240 nan 0.000 0.454 1076 V N 1.474 121.443 119.914 0.091 0.000 2.295 1076 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 1076 V C 2.980 179.148 176.094 0.122 0.000 1.049 1076 V CA 1.488 63.869 62.300 0.134 0.000 1.024 1076 V CB -0.765 31.131 31.823 0.121 0.000 0.648 1076 V HN 0.406 nan 8.190 nan 0.000 0.447 1077 V N -0.214 119.747 119.914 0.079 0.000 2.407 1077 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 1077 V C 2.418 178.514 176.094 0.003 0.000 1.055 1077 V CA 1.973 64.296 62.300 0.037 0.000 1.049 1077 V CB -0.768 31.076 31.823 0.036 0.000 0.662 1077 V HN 0.547 nan 8.190 nan 0.000 0.455 1078 K N -0.129 120.284 120.400 0.020 0.000 2.025 1078 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 1078 K C 2.264 178.839 176.600 -0.042 0.000 1.049 1078 K CA 1.515 57.804 56.287 0.002 0.000 0.933 1078 K CB -0.186 32.327 32.500 0.023 0.000 0.714 1078 K HN 0.521 nan 8.250 nan 0.000 0.438 1079 E N 0.388 120.564 120.200 -0.040 0.000 2.118 1079 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 1079 E C 1.991 178.382 176.600 -0.347 0.000 0.992 1079 E CA 1.325 57.666 56.400 -0.098 0.000 0.804 1079 E CB -0.085 29.627 29.700 0.019 0.000 0.741 1079 E HN 0.388 nan 8.360 nan 0.000 0.458 1080 G N 1.399 109.932 108.800 -0.444 0.000 2.434 1080 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.214 1080 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.214 1080 G C 1.485 176.194 174.900 -0.317 0.000 1.202 1080 G CA 0.757 45.404 45.100 -0.755 0.000 0.788 1080 G HN 0.308 nan 8.290 nan 0.000 0.539 1081 L N 1.817 122.951 121.223 -0.148 0.000 2.034 1081 L HA -0.056 4.284 4.340 -0.000 0.000 0.217 1081 L C 2.791 179.670 176.870 0.016 0.000 1.077 1081 L CA 2.669 57.493 54.840 -0.026 0.000 0.769 1081 L CB -1.062 40.989 42.059 -0.014 0.000 0.890 1081 L HN 0.219 nan 8.230 nan 0.000 0.435 1082 G N -1.148 107.617 108.800 -0.059 0.000 2.545 1082 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 1082 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 1082 G C 1.567 176.428 174.900 -0.066 0.000 1.218 1082 G CA 1.505 46.572 45.100 -0.055 0.000 0.787 1082 G HN 0.348 nan 8.290 nan 0.000 0.571 1083 V N 0.511 120.340 119.914 -0.142 0.000 2.317 1083 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1083 V C 2.377 178.448 176.094 -0.038 0.000 1.065 1083 V CA 2.188 64.419 62.300 -0.115 0.000 1.049 1083 V CB -0.648 31.045 31.823 -0.218 0.000 0.651 1083 V HN 0.386 nan 8.190 nan 0.000 0.450 1084 F N 1.077 120.932 119.950 -0.158 0.000 2.102 1084 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 1084 F C 2.510 178.265 175.800 -0.075 0.000 1.105 1084 F CA 1.943 59.880 58.000 -0.104 0.000 1.239 1084 F CB -0.442 38.494 39.000 -0.106 0.000 0.991 1084 F HN 0.173 nan 8.300 nan 0.000 0.474 1085 Q N -0.202 119.550 119.800 -0.080 0.000 2.515 1085 Q HA -0.152 4.188 4.340 -0.000 0.000 0.215 1085 Q C -0.095 175.795 176.000 -0.184 0.000 0.983 1085 Q CA 1.199 56.910 55.803 -0.154 0.000 0.905 1085 Q CB -0.591 28.136 28.738 -0.019 0.000 0.961 1085 Q HN 0.611 nan 8.270 nan 0.000 0.503 1086 N N -0.490 118.108 118.700 -0.170 0.000 2.696 1086 N HA 0.094 4.834 4.740 -0.000 0.000 0.308 1086 N C -0.444 174.981 175.510 -0.142 0.000 1.915 1086 N CA -0.085 52.885 53.050 -0.133 0.000 0.906 1086 N CB 1.205 39.644 38.487 -0.081 0.000 1.284 1086 N HN 0.035 nan 8.380 nan 0.000 0.488 1087 S N -1.862 113.713 115.700 -0.208 0.000 2.617 1087 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 1087 S C 1.295 175.793 174.600 -0.169 0.000 1.082 1087 S CA 0.216 58.314 58.200 -0.170 0.000 1.228 1087 S CB 0.822 63.932 63.200 -0.150 0.000 1.130 1087 S HN 0.354 nan 8.310 nan 0.000 0.621 1088 G N 1.797 110.467 108.800 -0.216 0.000 2.137 1088 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.237 1088 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.237 1088 G C 0.258 175.067 174.900 -0.153 0.000 1.002 1088 G CA -0.085 44.922 45.100 -0.154 0.000 0.702 1088 G HN 1.475 nan 8.290 nan 0.000 0.515 1089 A N 0.094 122.744 122.820 -0.284 0.000 2.438 1089 A HA 0.514 4.834 4.320 -0.000 0.000 0.280 1089 A C 1.265 178.795 177.584 -0.090 0.000 1.160 1089 A CA 0.853 52.762 52.037 -0.213 0.000 0.821 1089 A CB 0.283 19.101 19.000 -0.305 0.000 1.101 1089 A HN 0.259 nan 8.150 nan 0.000 0.515 1090 D N 1.013 121.455 120.400 0.071 0.000 2.194 1090 D HA 0.047 4.687 4.640 -0.000 0.000 0.204 1090 D C 0.046 176.483 176.300 0.229 0.000 0.964 1090 D CA 1.817 55.928 54.000 0.186 0.000 0.846 1090 D CB 0.136 41.132 40.800 0.328 0.000 0.962 1090 D HN 0.713 nan 8.370 nan 0.000 0.490 1091 Y N -1.255 119.031 120.300 -0.023 0.000 2.750 1091 Y HA 0.451 5.001 4.550 -0.000 0.000 0.335 1091 Y C -1.562 174.353 175.900 0.024 0.000 1.252 1091 Y CA -1.685 56.336 58.100 -0.133 0.000 1.064 1091 Y CB 0.449 38.533 38.460 -0.627 0.000 1.321 1091 Y HN -0.204 nan 8.280 nan 0.000 0.451 1092 L N 0.943 122.087 121.223 -0.133 0.000 2.354 1092 L HA 0.826 5.166 4.340 -0.000 0.000 0.264 1092 L C -1.225 175.612 176.870 -0.055 0.000 1.008 1092 L CA -1.232 53.498 54.840 -0.185 0.000 0.819 1092 L CB 2.554 44.509 42.059 -0.172 0.000 1.339 1092 L HN 0.745 nan 8.230 nan 0.000 0.420 1093 I N 1.730 122.262 120.570 -0.063 0.000 2.406 1093 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 1093 I C 0.056 176.175 176.117 0.003 0.000 0.999 1093 I CA -0.547 60.766 61.300 0.023 0.000 1.124 1093 I CB 2.038 40.040 38.000 0.003 0.000 1.289 1093 I HN 0.820 nan 8.210 nan 0.000 0.441 1094 A N 8.191 131.029 122.820 0.030 0.000 2.252 1094 A HA 0.744 5.064 4.320 -0.000 0.000 0.309 1094 A C -0.476 177.118 177.584 0.017 0.000 1.285 1094 A CA -0.314 51.732 52.037 0.015 0.000 0.900 1094 A CB 0.120 19.132 19.000 0.020 0.000 1.157 1094 A HN 0.694 nan 8.150 nan 0.000 0.536 1095 I N 2.976 123.539 120.570 -0.012 0.000 2.382 1095 I HA 0.651 4.821 4.170 -0.000 0.000 0.285 1095 I C 0.633 176.738 176.117 -0.019 0.000 1.007 1095 I CA 0.110 61.397 61.300 -0.022 0.000 1.142 1095 I CB 1.569 39.531 38.000 -0.064 0.000 1.289 1095 I HN 0.943 nan 8.210 nan 0.000 0.453 1096 G N 3.681 112.482 108.800 0.001 0.000 2.369 1096 G HA2 0.270 4.230 3.960 -0.000 0.000 0.295 1096 G HA3 0.270 4.230 3.960 -0.000 0.000 0.295 1096 G C -0.371 174.543 174.900 0.024 0.000 1.298 1096 G CA -0.395 44.706 45.100 0.003 0.000 0.940 1096 G HN 0.792 nan 8.290 nan 0.000 0.536 1097 G N -0.929 107.886 108.800 0.025 0.000 2.447 1097 G HA2 0.513 4.473 3.960 -0.000 0.000 0.269 1097 G HA3 0.513 4.473 3.960 -0.000 0.000 0.269 1097 G C 1.594 176.520 174.900 0.042 0.000 1.455 1097 G CA 0.668 45.792 45.100 0.042 0.000 1.061 1097 G HN 1.837 nan 8.290 nan 0.000 0.545 1098 G N -0.944 107.885 108.800 0.048 0.000 2.448 1098 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 1098 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 1098 G C 1.997 176.911 174.900 0.023 0.000 1.127 1098 G CA 1.510 46.635 45.100 0.042 0.000 0.766 1098 G HN 0.484 nan 8.290 nan 0.000 0.552 1099 S N 1.336 117.045 115.700 0.015 0.000 2.335 1099 S HA -0.045 4.425 4.470 -0.000 0.000 0.216 1099 S C 0.271 174.871 174.600 -0.000 0.000 1.032 1099 S CA 1.436 59.639 58.200 0.006 0.000 1.000 1099 S CB -0.696 62.507 63.200 0.005 0.000 0.928 1099 S HN 0.366 nan 8.310 nan 0.000 0.434 1100 P HA -0.101 nan 4.420 nan 0.000 0.220 1100 P C 1.067 178.363 177.300 -0.007 0.000 1.148 1100 P CA 1.186 64.278 63.100 -0.014 0.000 0.803 1100 P CB -0.058 31.625 31.700 -0.029 0.000 0.782 1101 Q N -0.255 119.548 119.800 0.004 0.000 2.083 1101 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 1101 Q C 1.823 177.817 176.000 -0.010 0.000 0.969 1101 Q CA 1.291 57.099 55.803 0.007 0.000 0.838 1101 Q CB -0.413 28.346 28.738 0.035 0.000 0.900 1101 Q HN 0.222 nan 8.270 nan 0.000 0.436 1102 D N -0.125 120.279 120.400 0.007 0.000 2.178 1102 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 1102 D C 1.750 177.999 176.300 -0.085 0.000 0.974 1102 D CA 1.088 55.099 54.000 0.018 0.000 0.841 1102 D CB -0.100 40.738 40.800 0.064 0.000 0.953 1102 D HN 0.133 nan 8.370 nan 0.000 0.478 1103 T N -0.362 114.157 114.554 -0.058 0.000 2.737 1103 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 1103 T C 2.165 176.788 174.700 -0.129 0.000 1.038 1103 T CA 1.064 63.125 62.100 -0.065 0.000 1.144 1103 T CB -0.673 68.204 68.868 0.015 0.000 0.866 1103 T HN 0.272 nan 8.240 nan 0.000 0.434 1104 C N 1.903 121.141 119.300 -0.103 0.000 2.413 1104 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 1104 C C 2.636 177.486 174.990 -0.234 0.000 1.236 1104 C CA 0.967 59.903 59.018 -0.137 0.000 1.735 1104 C CB -0.957 26.735 27.740 -0.080 0.000 2.031 1104 C HN 0.533 nan 8.230 nan 0.000 0.474 1105 K N 0.612 120.850 120.400 -0.271 0.000 2.097 1105 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 1105 K C 2.318 178.530 176.600 -0.648 0.000 1.049 1105 K CA 1.438 57.501 56.287 -0.373 0.000 0.933 1105 K CB -0.408 31.922 32.500 -0.283 0.000 0.717 1105 K HN 0.577 nan 8.250 nan 0.000 0.442 1106 A N 2.089 124.409 122.820 -0.834 0.000 1.851 1106 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 1106 A C 2.194 179.555 177.584 -0.371 0.000 1.195 1106 A CA 1.506 53.100 52.037 -0.738 0.000 0.622 1106 A CB -0.766 17.973 19.000 -0.436 0.000 0.831 1106 A HN 0.180 nan 8.150 nan 0.000 0.444 1107 I N -0.267 120.124 120.570 -0.298 0.000 2.208 1107 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 1107 I C 2.687 178.606 176.117 -0.331 0.000 1.097 1107 I CA 1.256 62.393 61.300 -0.272 0.000 1.363 1107 I CB -0.751 37.071 38.000 -0.296 0.000 1.051 1107 I HN 0.427 nan 8.210 nan 0.000 0.413 1108 G N 1.147 109.735 108.800 -0.353 0.000 2.422 1108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 1108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 1108 G C 1.609 176.398 174.900 -0.184 0.000 1.146 1108 G CA 0.428 45.346 45.100 -0.305 0.000 0.769 1108 G HN 0.179 nan 8.290 nan 0.000 0.547 1109 I N 0.987 121.450 120.570 -0.179 0.000 2.193 1109 I HA -0.030 4.140 4.170 -0.000 0.000 0.240 1109 I C 2.848 178.921 176.117 -0.073 0.000 1.084 1109 I CA 0.846 62.076 61.300 -0.116 0.000 1.365 1109 I CB -0.946 36.985 38.000 -0.115 0.000 1.064 1109 I HN 0.165 nan 8.210 nan 0.000 0.410 1110 I N 0.323 120.855 120.570 -0.063 0.000 2.264 1110 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 1110 I C 2.518 178.658 176.117 0.039 0.000 1.111 1110 I CA 1.323 62.637 61.300 0.024 0.000 1.382 1110 I CB -0.422 37.596 38.000 0.031 0.000 1.060 1110 I HN 0.165 nan 8.210 nan 0.000 0.418 1111 S N 0.266 115.969 115.700 0.005 0.000 2.584 1111 S HA -0.083 4.387 4.470 -0.000 0.000 0.240 1111 S C 1.265 175.911 174.600 0.077 0.000 0.975 1111 S CA 1.300 59.544 58.200 0.072 0.000 0.949 1111 S CB -0.560 62.703 63.200 0.105 0.000 0.761 1111 S HN 0.525 nan 8.310 nan 0.000 0.536 1112 N N -0.366 118.359 118.700 0.042 0.000 2.129 1112 N HA 0.185 4.925 4.740 -0.000 0.000 0.222 1112 N C -0.794 174.742 175.510 0.044 0.000 1.303 1112 N CA -0.101 52.972 53.050 0.038 0.000 0.897 1112 N CB 0.532 39.026 38.487 0.012 0.000 1.093 1112 N HN 0.183 nan 8.380 nan 0.000 0.501 1113 N N 1.407 120.151 118.700 0.074 0.000 2.723 1113 N HA 0.188 4.928 4.740 -0.000 0.000 0.290 1113 N C -2.355 173.303 175.510 0.247 0.000 1.882 1113 N CA -0.952 52.202 53.050 0.173 0.000 0.851 1113 N CB 1.622 40.214 38.487 0.174 0.000 1.234 1113 N HN 0.054 nan 8.380 nan 0.000 0.491 1114 P HA -0.173 nan 4.420 nan 0.000 0.219 1114 P C 0.945 178.302 177.300 0.096 0.000 1.144 1114 P CA 1.284 64.447 63.100 0.105 0.000 0.806 1114 P CB 0.369 32.104 31.700 0.058 0.000 0.771 1115 E N -1.122 119.124 120.200 0.077 0.000 2.169 1115 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 1115 E C 0.079 176.520 176.600 -0.266 0.000 1.016 1115 E CA 1.008 57.313 56.400 -0.158 0.000 0.817 1115 E CB -0.638 28.879 29.700 -0.306 0.000 0.736 1115 E HN 0.379 nan 8.360 nan 0.000 0.462 1116 F N -0.585 119.378 119.950 0.023 0.000 2.550 1116 F HA 0.462 4.989 4.527 -0.000 0.000 0.312 1116 F C 0.878 176.701 175.800 0.038 0.000 1.256 1116 F CA -0.596 57.426 58.000 0.036 0.000 1.182 1116 F CB 0.447 39.481 39.000 0.057 0.000 1.383 1116 F HN -0.098 nan 8.300 nan 0.000 0.541 1117 A N -0.301 122.613 122.820 0.157 0.000 2.235 1117 A HA -0.096 4.224 4.320 -0.000 0.000 0.208 1117 A C 2.146 179.790 177.584 0.100 0.000 1.172 1117 A CA 1.255 53.358 52.037 0.109 0.000 0.786 1117 A CB -0.355 18.683 19.000 0.063 0.000 0.804 1117 A HN 0.492 nan 8.150 nan 0.000 0.479 1118 D N -0.604 119.866 120.400 0.116 0.000 2.107 1118 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 1118 D C 0.836 177.212 176.300 0.127 0.000 0.978 1118 D CA 2.095 56.150 54.000 0.092 0.000 0.852 1118 D CB -0.065 40.772 40.800 0.062 0.000 1.008 1118 D HN 0.462 nan 8.370 nan 0.000 0.458 1119 V N -0.478 119.549 119.914 0.189 0.000 5.509 1119 V HA -0.195 3.925 4.120 -0.000 0.000 0.309 1119 V C 1.293 177.529 176.094 0.236 0.000 0.360 1119 V CA 0.913 63.376 62.300 0.271 0.000 0.741 1119 V CB -1.756 30.239 31.823 0.287 0.000 0.564 1119 V HN 0.315 nan 8.190 nan 0.000 1.466 1120 R N 0.073 120.602 120.500 0.049 0.000 2.350 1120 R HA 0.209 4.549 4.340 -0.000 0.000 0.199 1120 R C 1.099 177.407 176.300 0.014 0.000 0.876 1120 R CA 0.757 56.726 56.100 -0.220 0.000 1.062 1120 R CB 0.396 30.554 30.300 -0.237 0.000 1.263 1120 R HN 0.584 nan 8.270 nan 0.000 0.641 1121 S N 1.471 117.252 115.700 0.134 0.000 3.900 1121 S HA 0.271 4.740 4.470 -0.000 0.000 0.248 1121 S C 0.260 175.145 174.600 0.475 0.000 1.310 1121 S CA 0.045 58.418 58.200 0.289 0.000 0.915 1121 S CB 0.447 63.789 63.200 0.238 0.000 1.588 1121 S HN 0.245 nan 8.310 nan 0.000 0.472 1122 L N -0.127 121.257 121.223 0.268 0.000 4.290 1122 L HA 0.190 4.530 4.340 -0.000 0.000 0.552 1122 L C -0.056 176.884 176.870 0.117 0.000 0.700 1122 L CA 0.402 55.307 54.840 0.108 0.000 2.158 1122 L CB -0.446 41.704 42.059 0.152 0.000 1.603 1122 L HN 0.655 nan 8.230 nan 0.000 0.460 1123 E N -0.560 119.736 120.200 0.161 0.000 2.359 1123 E HA 0.541 4.891 4.350 -0.000 0.000 0.255 1123 E C 1.183 177.821 176.600 0.063 0.000 1.191 1123 E CA 0.326 56.825 56.400 0.164 0.000 0.952 1123 E CB 0.846 30.662 29.700 0.193 0.000 1.152 1123 E HN 0.216 nan 8.360 nan 0.000 0.496 1124 G N 0.701 109.529 108.800 0.047 0.000 2.627 1124 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.312 1124 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.312 1124 G C -0.038 174.858 174.900 -0.005 0.000 1.299 1124 G CA 0.264 45.379 45.100 0.025 0.000 0.989 1124 G HN 0.532 nan 8.290 nan 0.000 0.547 1125 L N 1.568 122.798 121.223 0.012 0.000 2.384 1125 L HA 0.272 4.612 4.340 -0.000 0.000 0.258 1125 L C 0.891 177.771 176.870 0.017 0.000 1.266 1125 L CA -0.254 54.591 54.840 0.007 0.000 1.162 1125 L CB -0.003 42.068 42.059 0.020 0.000 1.375 1125 L HN 0.427 nan 8.230 nan 0.000 0.420 1126 S N 4.160 119.846 115.700 -0.022 0.000 3.106 1126 S HA -0.013 4.457 4.470 -0.000 0.000 0.363 1126 S C -1.517 173.071 174.600 -0.020 0.000 1.191 1126 S CA -0.625 57.536 58.200 -0.065 0.000 1.191 1126 S CB -0.065 63.038 63.200 -0.162 0.000 0.884 1126 S HN 0.423 nan 8.310 nan 0.000 0.526 1127 P HA 0.028 nan 4.420 nan 0.000 0.246 1127 P C 0.251 177.681 177.300 0.216 0.000 1.675 1127 P CA -0.185 63.020 63.100 0.175 0.000 0.908 1127 P CB -1.093 30.750 31.700 0.239 0.000 1.890 1128 T N -2.065 112.505 114.554 0.027 0.000 2.913 1128 T HA 0.213 4.563 4.350 -0.000 0.000 0.297 1128 T C 1.021 175.683 174.700 -0.065 0.000 1.029 1128 T CA -0.555 61.509 62.100 -0.060 0.000 1.104 1128 T CB 0.909 69.621 68.868 -0.260 0.000 0.964 1128 T HN 0.028 nan 8.240 nan 0.000 0.532 1129 N N 0.885 119.545 118.700 -0.066 0.000 2.220 1129 N HA 0.106 4.846 4.740 -0.000 0.000 0.195 1129 N C -0.327 175.090 175.510 -0.156 0.000 1.123 1129 N CA 0.070 53.091 53.050 -0.048 0.000 0.874 1129 N CB 0.442 38.950 38.487 0.035 0.000 0.995 1129 N HN 0.466 nan 8.380 nan 0.000 0.498 1130 K N 1.250 121.457 120.400 -0.323 0.000 2.427 1130 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 1130 K C -2.677 173.692 176.600 -0.385 0.000 0.931 1130 K CA -1.915 54.227 56.287 -0.243 0.000 0.793 1130 K CB 2.598 35.053 32.500 -0.076 0.000 1.211 1130 K HN -0.113 nan 8.250 nan 0.000 0.426 1131 P HA -0.012 nan 4.420 nan 0.000 0.268 1131 P C 0.213 177.545 177.300 0.053 0.000 1.204 1131 P CA -0.043 63.165 63.100 0.180 0.000 0.768 1131 P CB 0.824 32.683 31.700 0.265 0.000 0.842 1132 S N 2.323 118.058 115.700 0.060 0.000 2.563 1132 S HA 0.040 4.510 4.470 -0.000 0.000 0.269 1132 S C 0.384 174.988 174.600 0.006 0.000 1.364 1132 S CA -0.573 57.627 58.200 0.001 0.000 1.010 1132 S CB -0.011 63.180 63.200 -0.016 0.000 0.877 1132 S HN 0.252 nan 8.310 nan 0.000 0.549 1133 V N 5.665 125.559 119.914 -0.034 0.000 2.599 1133 V HA 0.179 4.299 4.120 -0.000 0.000 0.300 1133 V C -1.663 174.422 176.094 -0.014 0.000 1.034 1133 V CA -1.160 61.131 62.300 -0.014 0.000 1.115 1133 V CB 0.016 31.795 31.823 -0.074 0.000 0.934 1133 V HN 0.812 nan 8.190 nan 0.000 0.485 1134 P HA 0.061 nan 4.420 nan 0.000 0.260 1134 P C -0.513 176.811 177.300 0.040 0.000 1.172 1134 P CA 0.519 63.636 63.100 0.029 0.000 0.760 1134 P CB 0.619 32.312 31.700 -0.011 0.000 0.773 1135 I N 3.351 123.964 120.570 0.072 0.000 2.498 1135 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 1135 I C -1.503 174.707 176.117 0.154 0.000 1.032 1135 I CA -1.507 59.844 61.300 0.085 0.000 1.073 1135 I CB 1.591 39.595 38.000 0.007 0.000 1.251 1135 I HN -0.034 nan 8.210 nan 0.000 0.426 1136 L N 7.593 128.951 121.223 0.225 0.000 2.265 1136 L HA 0.591 4.931 4.340 -0.000 0.000 0.289 1136 L C 0.317 177.331 176.870 0.240 0.000 1.033 1136 L CA -0.361 54.660 54.840 0.302 0.000 0.814 1136 L CB 1.003 43.337 42.059 0.458 0.000 1.203 1136 L HN 0.701 nan 8.230 nan 0.000 0.423 1137 A N 5.860 128.804 122.820 0.208 0.000 2.289 1137 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 1137 A C -0.139 177.575 177.584 0.217 0.000 1.208 1137 A CA -0.232 51.902 52.037 0.162 0.000 0.845 1137 A CB 0.072 19.138 19.000 0.110 0.000 1.125 1137 A HN 0.639 nan 8.150 nan 0.000 0.517 1138 I N 5.156 125.820 120.570 0.157 0.000 2.563 1138 I HA 0.250 4.420 4.170 -0.000 0.000 0.276 1138 I C -2.370 173.799 176.117 0.086 0.000 1.074 1138 I CA -1.923 59.461 61.300 0.140 0.000 1.124 1138 I CB 2.016 40.061 38.000 0.075 0.000 1.225 1138 I HN 0.474 nan 8.210 nan 0.000 0.482 1139 P HA 0.091 nan 4.420 nan 0.000 0.271 1139 P C 0.377 177.717 177.300 0.066 0.000 1.218 1139 P CA 0.079 63.231 63.100 0.087 0.000 0.780 1139 P CB 1.033 32.804 31.700 0.119 0.000 0.901 1140 T N -2.523 112.062 114.554 0.053 0.000 3.252 1140 T HA 0.268 4.618 4.350 -0.000 0.000 0.286 1140 T C 0.360 175.087 174.700 0.044 0.000 1.013 1140 T CA -0.257 61.866 62.100 0.037 0.000 0.914 1140 T CB -0.655 68.222 68.868 0.016 0.000 1.131 1140 T HN 0.617 nan 8.240 nan 0.000 0.529 1141 T N -1.843 112.749 114.554 0.062 0.000 2.868 1141 T HA 0.707 5.057 4.350 -0.000 0.000 0.306 1141 T C -0.189 174.561 174.700 0.082 0.000 1.224 1141 T CA -0.468 61.670 62.100 0.064 0.000 1.012 1141 T CB 1.503 70.408 68.868 0.061 0.000 1.221 1141 T HN 0.170 nan 8.240 nan 0.000 0.499 1142 A N 0.696 123.558 122.820 0.070 0.000 3.117 1142 A HA 0.731 5.050 4.320 -0.000 0.000 0.255 1142 A C 0.998 178.630 177.584 0.080 0.000 1.583 1142 A CA 0.397 52.479 52.037 0.075 0.000 1.234 1142 A CB -1.435 17.595 19.000 0.049 0.000 1.076 1142 A HN 1.522 nan 8.150 nan 0.000 0.653 1143 G N -1.536 107.332 108.800 0.114 0.000 3.206 1143 G HA2 0.328 4.288 3.960 -0.000 0.000 0.146 1143 G HA3 0.328 4.288 3.960 -0.000 0.000 0.146 1143 G C 0.737 175.775 174.900 0.231 0.000 1.214 1143 G CA 0.823 46.002 45.100 0.132 0.000 1.297 1143 G HN 0.389 nan 8.290 nan 0.000 0.659 1144 T N 1.186 115.903 114.554 0.272 0.000 5.613 1144 T HA -0.325 4.025 4.350 -0.000 0.000 0.231 1144 T C 2.119 177.023 174.700 0.340 0.000 1.470 1144 T CA 4.803 67.096 62.100 0.323 0.000 1.430 1144 T CB -1.387 67.585 68.868 0.175 0.000 1.546 1144 T HN 2.710 nan 8.240 nan 0.000 0.702 1145 A N 0.183 123.152 122.820 0.249 0.000 2.899 1145 A HA -0.050 4.270 4.320 -0.000 0.000 0.257 1145 A C 1.774 179.422 177.584 0.107 0.000 1.335 1145 A CA 1.597 53.750 52.037 0.194 0.000 0.924 1145 A CB -2.162 16.975 19.000 0.228 0.000 1.105 1145 A HN 1.984 nan 8.150 nan 0.000 0.765 1146 A N 0.406 123.298 122.820 0.119 0.000 2.139 1146 A HA -0.082 4.238 4.320 -0.000 0.000 0.221 1146 A C 1.789 179.405 177.584 0.053 0.000 1.159 1146 A CA 1.847 53.930 52.037 0.077 0.000 0.662 1146 A CB -0.500 18.549 19.000 0.083 0.000 0.796 1146 A HN 1.226 nan 8.150 nan 0.000 0.463 1147 E N -0.447 119.801 120.200 0.079 0.000 2.409 1147 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 1147 E C 1.362 178.000 176.600 0.063 0.000 1.024 1147 E CA 1.513 57.969 56.400 0.092 0.000 0.861 1147 E CB -0.197 29.595 29.700 0.152 0.000 0.788 1147 E HN 0.524 nan 8.360 nan 0.000 0.521 1148 V N 1.003 120.900 119.914 -0.029 0.000 3.426 1148 V HA 0.043 4.163 4.120 -0.000 0.000 0.271 1148 V C 0.636 176.614 176.094 -0.193 0.000 1.530 1148 V CA 0.799 63.021 62.300 -0.130 0.000 1.021 1148 V CB 0.701 32.285 31.823 -0.398 0.000 0.824 1148 V HN 0.377 nan 8.190 nan 0.000 0.432 1149 T N 0.057 114.486 114.554 -0.208 0.000 2.899 1149 T HA 0.374 4.724 4.350 -0.000 0.000 0.295 1149 T C 0.857 175.472 174.700 -0.142 0.000 1.033 1149 T CA 0.243 62.175 62.100 -0.281 0.000 1.084 1149 T CB 1.117 69.766 68.868 -0.365 0.000 0.979 1149 T HN 0.582 nan 8.240 nan 0.000 0.532 1150 I N -0.576 119.908 120.570 -0.144 0.000 3.826 1150 I HA 0.343 4.513 4.170 -0.000 0.000 0.319 1150 I C -0.452 175.637 176.117 -0.047 0.000 1.394 1150 I CA -1.027 60.233 61.300 -0.066 0.000 1.197 1150 I CB -1.298 36.658 38.000 -0.073 0.000 1.096 1150 I HN 0.661 nan 8.210 nan 0.000 0.409 1151 N N 0.870 119.542 118.700 -0.046 0.000 2.287 1151 N HA 0.530 5.270 4.740 -0.000 0.000 0.289 1151 N C -1.055 174.452 175.510 -0.006 0.000 1.066 1151 N CA -0.804 52.192 53.050 -0.090 0.000 0.841 1151 N CB 1.283 39.711 38.487 -0.100 0.000 1.599 1151 N HN 0.258 nan 8.380 nan 0.000 0.476 1152 Y N -0.704 119.563 120.300 -0.054 0.000 2.485 1152 Y HA 0.798 5.348 4.550 -0.000 0.000 0.345 1152 Y C -0.640 175.174 175.900 -0.144 0.000 0.998 1152 Y CA -1.709 56.343 58.100 -0.080 0.000 1.059 1152 Y CB 1.112 39.521 38.460 -0.085 0.000 1.234 1152 Y HN 0.483 nan 8.280 nan 0.000 0.461 1153 V N 2.158 122.029 119.914 -0.071 0.000 2.555 1153 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 1153 V C -0.944 174.960 176.094 -0.317 0.000 1.038 1153 V CA -0.734 61.392 62.300 -0.290 0.000 0.887 1153 V CB 1.432 33.073 31.823 -0.303 0.000 0.991 1153 V HN 0.784 nan 8.190 nan 0.000 0.434 1154 I N 2.855 123.002 120.570 -0.706 0.000 2.957 1154 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 1154 I C 0.261 176.074 176.117 -0.507 0.000 1.063 1154 I CA -0.327 60.622 61.300 -0.586 0.000 1.033 1154 I CB 2.442 40.131 38.000 -0.519 0.000 1.230 1154 I HN 0.762 nan 8.210 nan 0.000 0.447 1155 T N 1.905 116.425 114.554 -0.056 0.000 2.758 1155 T HA 0.184 4.534 4.350 -0.000 0.000 0.285 1155 T C -0.264 174.620 174.700 0.306 0.000 0.981 1155 T CA -0.347 61.834 62.100 0.136 0.000 0.965 1155 T CB 0.981 69.897 68.868 0.080 0.000 0.927 1155 T HN 0.369 nan 8.240 nan 0.000 0.448 1156 D N 2.888 123.521 120.400 0.389 0.000 2.524 1156 D HA 0.153 4.793 4.640 -0.000 0.000 0.222 1156 D C 1.206 177.564 176.300 0.097 0.000 1.142 1156 D CA -0.470 53.660 54.000 0.217 0.000 0.973 1156 D CB 0.516 41.346 40.800 0.050 0.000 1.025 1156 D HN 0.310 nan 8.370 nan 0.000 0.519 1157 E N 1.939 122.185 120.200 0.078 0.000 2.108 1157 E HA -0.250 4.100 4.350 -0.000 0.000 0.203 1157 E C 1.233 177.830 176.600 -0.004 0.000 1.022 1157 E CA 1.193 57.610 56.400 0.027 0.000 0.823 1157 E CB 0.205 29.920 29.700 0.026 0.000 0.744 1157 E HN 0.505 nan 8.360 nan 0.000 0.456 1158 E N 0.503 120.704 120.200 0.002 0.000 2.019 1158 E HA -0.145 4.205 4.350 -0.000 0.000 0.208 1158 E C 1.194 177.774 176.600 -0.034 0.000 1.030 1158 E CA 1.511 57.900 56.400 -0.018 0.000 0.856 1158 E CB -0.183 29.508 29.700 -0.015 0.000 0.781 1158 E HN 0.097 nan 8.360 nan 0.000 0.471 1159 K N 1.592 121.974 120.400 -0.030 0.000 2.968 1159 K HA 0.047 4.367 4.320 -0.000 0.000 0.249 1159 K C -0.569 176.018 176.600 -0.023 0.000 1.062 1159 K CA -0.167 56.099 56.287 -0.035 0.000 1.215 1159 K CB -0.502 31.972 32.500 -0.043 0.000 1.097 1159 K HN 0.162 nan 8.250 nan 0.000 0.462 1160 R N 1.825 122.296 120.500 -0.048 0.000 4.610 1160 R HA -0.233 4.107 4.340 -0.000 0.000 0.124 1160 R C -0.948 175.361 176.300 0.014 0.000 0.235 1160 R CA 0.812 56.877 56.100 -0.059 0.000 0.854 1160 R CB -0.804 29.375 30.300 -0.201 0.000 1.052 1160 R HN 0.356 nan 8.270 nan 0.000 0.286 1161 R N 1.268 121.833 120.500 0.108 0.000 2.563 1161 R HA 0.273 4.612 4.340 -0.000 0.000 0.262 1161 R C -1.760 174.682 176.300 0.237 0.000 1.128 1161 R CA -1.253 54.958 56.100 0.186 0.000 0.969 1161 R CB 0.957 31.355 30.300 0.163 0.000 1.251 1161 R HN 0.292 nan 8.270 nan 0.000 0.442 1162 K N 3.393 123.915 120.400 0.203 0.000 2.285 1162 K HA 0.307 4.627 4.320 -0.000 0.000 0.286 1162 K C -1.070 175.578 176.600 0.079 0.000 1.072 1162 K CA -0.521 55.828 56.287 0.103 0.000 0.913 1162 K CB 0.435 32.946 32.500 0.018 0.000 1.067 1162 K HN 0.493 nan 8.250 nan 0.000 0.479 1163 F N 2.101 122.005 119.950 -0.078 0.000 2.443 1163 F HA 0.565 5.092 4.527 -0.000 0.000 0.335 1163 F C -0.624 175.100 175.800 -0.127 0.000 1.104 1163 F CA -1.443 56.511 58.000 -0.077 0.000 1.013 1163 F CB 0.625 39.613 39.000 -0.021 0.000 1.136 1163 F HN -0.018 nan 8.300 nan 0.000 0.470 1164 V N 2.771 122.637 119.914 -0.079 0.000 2.465 1164 V HA 0.307 4.426 4.120 -0.000 0.000 0.279 1164 V C -0.305 175.703 176.094 -0.143 0.000 1.045 1164 V CA -0.541 61.659 62.300 -0.167 0.000 0.938 1164 V CB 1.071 32.868 31.823 -0.043 0.000 0.986 1164 V HN 1.054 nan 8.190 nan 0.000 0.467 1165 C N 5.193 124.269 119.300 -0.374 0.000 2.322 1165 C HA 0.727 5.187 4.460 -0.000 0.000 0.324 1165 C C 0.071 174.741 174.990 -0.534 0.000 1.284 1165 C CA -0.745 57.968 59.018 -0.509 0.000 1.606 1165 C CB 0.831 27.945 27.740 -1.044 0.000 2.251 1165 C HN 0.635 nan 8.230 nan 0.000 0.502 1166 V N 3.233 122.978 119.914 -0.282 0.000 2.531 1166 V HA 0.705 4.825 4.120 -0.000 0.000 0.301 1166 V C -0.964 175.068 176.094 -0.104 0.000 1.034 1166 V CA -0.047 62.146 62.300 -0.178 0.000 0.865 1166 V CB 1.937 33.707 31.823 -0.089 0.000 0.995 1166 V HN 0.934 nan 8.190 nan 0.000 0.424 1167 D N 5.245 125.611 120.400 -0.056 0.000 2.614 1167 D HA 0.350 4.990 4.640 -0.000 0.000 0.203 1167 D C -2.425 173.885 176.300 0.018 0.000 1.312 1167 D CA -1.106 52.903 54.000 0.015 0.000 0.889 1167 D CB 2.774 43.616 40.800 0.071 0.000 1.615 1167 D HN 0.142 nan 8.370 nan 0.000 0.567 1168 P HA -0.104 nan 4.420 nan 0.000 0.224 1168 P C 0.480 177.704 177.300 -0.127 0.000 1.142 1168 P CA 1.132 64.160 63.100 -0.119 0.000 0.778 1168 P CB 0.063 31.646 31.700 -0.194 0.000 0.764 1169 H N -1.673 117.401 119.070 0.007 0.000 2.529 1169 H HA -0.079 4.477 4.556 -0.000 0.000 0.277 1169 H C 1.828 177.166 175.328 0.016 0.000 0.999 1169 H CA 1.128 57.182 56.048 0.011 0.000 1.256 1169 H CB -0.296 29.469 29.762 0.005 0.000 1.402 1169 H HN 0.227 nan 8.280 nan 0.000 0.566 1170 D N 1.012 121.496 120.400 0.141 0.000 2.117 1170 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 1170 D C 0.954 177.289 176.300 0.058 0.000 0.982 1170 D CA 0.071 54.137 54.000 0.111 0.000 0.828 1170 D CB -0.460 40.464 40.800 0.207 0.000 0.967 1170 D HN 0.189 nan 8.370 nan 0.000 0.464 1171 I N 1.613 122.207 120.570 0.040 0.000 3.252 1171 I HA -0.080 4.090 4.170 -0.000 0.000 0.331 1171 I C -2.108 174.027 176.117 0.030 0.000 1.237 1171 I CA -0.893 60.418 61.300 0.018 0.000 1.436 1171 I CB 0.001 37.998 38.000 -0.005 0.000 1.338 1171 I HN 0.024 nan 8.210 nan 0.000 0.512 1172 P HA 0.017 nan 4.420 nan 0.000 0.268 1172 P C -0.074 177.258 177.300 0.054 0.000 1.208 1172 P CA -0.086 63.045 63.100 0.051 0.000 0.777 1172 P CB 0.554 32.289 31.700 0.058 0.000 0.875 1173 Q N 0.565 120.414 119.800 0.082 0.000 2.187 1173 Q HA 0.066 4.406 4.340 -0.000 0.000 0.199 1173 Q C 0.048 176.076 176.000 0.048 0.000 0.957 1173 Q CA 1.202 57.056 55.803 0.084 0.000 0.857 1173 Q CB 0.110 28.935 28.738 0.146 0.000 0.929 1173 Q HN 0.265 nan 8.270 nan 0.000 0.453 1174 V N -0.616 119.321 119.914 0.038 0.000 2.888 1174 V HA 0.800 4.920 4.120 -0.000 0.000 0.309 1174 V C -1.230 174.760 176.094 -0.172 0.000 1.114 1174 V CA -0.916 61.320 62.300 -0.107 0.000 0.940 1174 V CB 1.888 33.620 31.823 -0.152 0.000 1.021 1174 V HN 0.059 nan 8.190 nan 0.000 0.426 1175 A N 3.099 125.722 122.820 -0.329 0.000 2.355 1175 A HA 0.937 5.257 4.320 -0.000 0.000 0.317 1175 A C -1.393 175.877 177.584 -0.522 0.000 1.094 1175 A CA -0.330 51.560 52.037 -0.244 0.000 0.764 1175 A CB 0.903 19.862 19.000 -0.068 0.000 1.230 1175 A HN 0.646 nan 8.150 nan 0.000 0.448 1176 F N 2.198 122.118 119.950 -0.050 0.000 2.382 1176 F HA 0.473 5.000 4.527 -0.000 0.000 0.361 1176 F C -0.405 175.331 175.800 -0.107 0.000 1.109 1176 F CA -0.346 57.614 58.000 -0.066 0.000 1.031 1176 F CB 1.554 40.539 39.000 -0.026 0.000 1.234 1176 F HN 0.291 nan 8.300 nan 0.000 0.445 1177 I N 4.107 124.609 120.570 -0.113 0.000 2.347 1177 I HA 0.244 4.414 4.170 -0.000 0.000 0.283 1177 I C -0.841 175.306 176.117 0.050 0.000 1.058 1177 I CA -0.412 60.854 61.300 -0.056 0.000 1.202 1177 I CB 0.501 38.395 38.000 -0.177 0.000 1.386 1177 I HN 0.368 nan 8.210 nan 0.000 0.475 1178 D N 5.078 125.525 120.400 0.079 0.000 2.686 1178 D HA 0.339 4.979 4.640 -0.000 0.000 0.249 1178 D C 0.724 177.062 176.300 0.063 0.000 1.260 1178 D CA -0.787 53.261 54.000 0.080 0.000 0.910 1178 D CB 1.784 42.627 40.800 0.071 0.000 1.323 1178 D HN 0.351 nan 8.370 nan 0.000 0.561 1179 A N 3.128 125.988 122.820 0.067 0.000 2.148 1179 A HA -0.259 4.061 4.320 -0.000 0.000 0.222 1179 A C 1.499 179.104 177.584 0.035 0.000 1.161 1179 A CA 1.512 53.581 52.037 0.053 0.000 0.662 1179 A CB -0.432 18.598 19.000 0.051 0.000 0.799 1179 A HN 0.622 nan 8.150 nan 0.000 0.466 1180 D N -0.482 119.935 120.400 0.028 0.000 2.144 1180 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 1180 D C 1.831 178.134 176.300 0.005 0.000 0.984 1180 D CA 1.268 55.275 54.000 0.012 0.000 0.834 1180 D CB -0.214 40.588 40.800 0.003 0.000 0.955 1180 D HN 0.370 nan 8.370 nan 0.000 0.465 1181 M N -0.478 119.127 119.600 0.008 0.000 2.394 1181 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 1181 M C 1.905 178.212 176.300 0.010 0.000 1.073 1181 M CA 0.805 56.105 55.300 0.001 0.000 1.111 1181 M CB -0.556 32.047 32.600 0.005 0.000 1.401 1181 M HN 0.060 nan 8.290 nan 0.000 0.448 1182 M N -0.814 118.800 119.600 0.023 0.000 2.509 1182 M HA 0.007 4.487 4.480 -0.000 0.000 0.250 1182 M C 0.898 177.210 176.300 0.020 0.000 1.132 1182 M CA 0.283 55.600 55.300 0.027 0.000 1.080 1182 M CB -0.185 32.440 32.600 0.042 0.000 1.408 1182 M HN -0.004 nan 8.290 nan 0.000 0.484 1183 D N 1.178 121.587 120.400 0.015 0.000 2.221 1183 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 1183 D C 2.116 178.420 176.300 0.007 0.000 0.982 1183 D CA 1.473 55.479 54.000 0.011 0.000 0.857 1183 D CB -0.367 40.438 40.800 0.008 0.000 0.934 1183 D HN 0.476 nan 8.370 nan 0.000 0.475 1184 G N 0.133 108.936 108.800 0.004 0.000 2.443 1184 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.219 1184 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.219 1184 G C 0.810 175.713 174.900 0.004 0.000 1.131 1184 G CA -0.124 44.977 45.100 0.001 0.000 0.775 1184 G HN 0.214 nan 8.290 nan 0.000 0.547 1185 M N 1.740 121.345 119.600 0.008 0.000 2.336 1185 M HA 0.065 4.545 4.480 -0.000 0.000 0.371 1185 M C -2.116 174.189 176.300 0.007 0.000 1.542 1185 M CA -0.777 54.529 55.300 0.010 0.000 0.959 1185 M CB 0.503 33.112 32.600 0.015 0.000 2.033 1185 M HN -0.077 nan 8.290 nan 0.000 0.472 1186 P HA 0.064 nan 4.420 nan 0.000 0.272 1186 P C -1.869 175.433 177.300 0.003 0.000 1.230 1186 P CA -0.976 62.126 63.100 0.003 0.000 0.788 1186 P CB -0.027 31.675 31.700 0.003 0.000 0.949 1187 P HA -0.270 nan 4.420 nan 0.000 0.216 1187 P C 1.042 178.341 177.300 -0.002 0.000 1.153 1187 P CA 2.022 65.121 63.100 -0.001 0.000 0.858 1187 P CB -0.409 31.290 31.700 -0.003 0.000 0.789 1188 A N -0.495 122.324 122.820 -0.003 0.000 1.933 1188 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 1188 A C 2.229 179.812 177.584 -0.001 0.000 1.175 1188 A CA 1.441 53.476 52.037 -0.004 0.000 0.628 1188 A CB -1.490 17.508 19.000 -0.004 0.000 0.814 1188 A HN 0.182 nan 8.150 nan 0.000 0.444 1189 L N -0.265 120.960 121.223 0.004 0.000 2.072 1189 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 1189 L C 2.134 179.010 176.870 0.011 0.000 1.079 1189 L CA 2.036 56.882 54.840 0.010 0.000 0.752 1189 L CB -0.628 41.439 42.059 0.013 0.000 0.906 1189 L HN 0.309 nan 8.230 nan 0.000 0.436 1190 K N -0.445 119.960 120.400 0.009 0.000 2.063 1190 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 1190 K C 2.065 178.666 176.600 0.002 0.000 1.048 1190 K CA 1.406 57.699 56.287 0.010 0.000 0.928 1190 K CB -0.381 32.124 32.500 0.008 0.000 0.713 1190 K HN 0.478 nan 8.250 nan 0.000 0.442 1191 A N 1.593 124.410 122.820 -0.005 0.000 1.858 1191 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 1191 A C 2.403 179.973 177.584 -0.023 0.000 1.190 1191 A CA 1.986 54.013 52.037 -0.016 0.000 0.617 1191 A CB -0.832 18.157 19.000 -0.018 0.000 0.827 1191 A HN 0.343 nan 8.150 nan 0.000 0.443 1192 A N -0.334 122.476 122.820 -0.016 0.000 1.858 1192 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1192 A C 2.503 180.079 177.584 -0.014 0.000 1.190 1192 A CA 2.916 54.941 52.037 -0.019 0.000 0.617 1192 A CB -1.566 17.432 19.000 -0.003 0.000 0.827 1192 A HN 0.832 nan 8.150 nan 0.000 0.443 1193 T N -2.619 111.941 114.554 0.009 0.000 2.821 1193 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 1193 T C 1.905 176.603 174.700 -0.002 0.000 1.046 1193 T CA 1.641 63.756 62.100 0.025 0.000 1.139 1193 T CB -0.957 67.938 68.868 0.046 0.000 0.871 1193 T HN 0.454 nan 8.240 nan 0.000 0.454 1194 G N 1.066 109.861 108.800 -0.009 0.000 2.446 1194 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 1194 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 1194 G C 1.646 176.511 174.900 -0.058 0.000 1.168 1194 G CA 0.939 46.027 45.100 -0.019 0.000 0.771 1194 G HN 0.484 nan 8.290 nan 0.000 0.551 1195 V N 1.234 121.103 119.914 -0.075 0.000 2.626 1195 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 1195 V C 2.438 178.433 176.094 -0.165 0.000 1.067 1195 V CA 2.080 64.313 62.300 -0.111 0.000 1.081 1195 V CB -0.139 31.619 31.823 -0.108 0.000 0.686 1195 V HN 0.466 nan 8.190 nan 0.000 0.468 1196 D N 0.701 120.998 120.400 -0.171 0.000 2.117 1196 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 1196 D C 2.141 178.113 176.300 -0.547 0.000 0.987 1196 D CA 1.615 55.440 54.000 -0.291 0.000 0.829 1196 D CB -0.079 40.658 40.800 -0.105 0.000 0.961 1196 D HN 0.356 nan 8.370 nan 0.000 0.460 1197 A N 0.705 123.345 122.820 -0.300 0.000 1.877 1197 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1197 A C 2.433 179.935 177.584 -0.137 0.000 1.186 1197 A CA 1.239 53.172 52.037 -0.172 0.000 0.620 1197 A CB -1.041 17.961 19.000 0.004 0.000 0.822 1197 A HN 0.427 nan 8.150 nan 0.000 0.443 1198 L N -0.222 120.925 121.223 -0.127 0.000 2.042 1198 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 1198 L C 2.520 179.305 176.870 -0.141 0.000 1.076 1198 L CA 2.394 57.168 54.840 -0.111 0.000 0.749 1198 L CB -0.848 41.144 42.059 -0.112 0.000 0.893 1198 L HN 0.441 nan 8.230 nan 0.000 0.432 1199 T N -1.510 112.932 114.554 -0.188 0.000 2.720 1199 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 1199 T C 1.563 176.179 174.700 -0.140 0.000 1.037 1199 T CA 1.731 63.733 62.100 -0.162 0.000 1.144 1199 T CB -0.522 68.255 68.868 -0.152 0.000 0.864 1199 T HN 0.578 nan 8.240 nan 0.000 0.444 1200 H N 0.768 119.700 119.070 -0.230 0.000 2.321 1200 H HA 0.041 4.597 4.556 -0.000 0.000 0.300 1200 H C 2.670 177.806 175.328 -0.320 0.000 1.087 1200 H CA 0.784 56.533 56.048 -0.498 0.000 1.319 1200 H CB -0.152 29.229 29.762 -0.635 0.000 1.379 1200 H HN 0.382 nan 8.280 nan 0.000 0.501 1201 A N 1.166 123.971 122.820 -0.025 0.000 1.883 1201 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 1201 A C 2.409 179.890 177.584 -0.170 0.000 1.186 1201 A CA 1.576 53.592 52.037 -0.035 0.000 0.624 1201 A CB -0.713 18.291 19.000 0.006 0.000 0.822 1201 A HN 0.318 nan 8.150 nan 0.000 0.444 1202 I N -0.675 119.817 120.570 -0.129 0.000 2.202 1202 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 1202 I C 2.543 178.615 176.117 -0.074 0.000 1.091 1202 I CA 1.489 62.736 61.300 -0.088 0.000 1.368 1202 I CB -0.537 37.387 38.000 -0.125 0.000 1.058 1202 I HN 0.420 nan 8.210 nan 0.000 0.410 1203 E N 0.870 120.995 120.200 -0.126 0.000 2.077 1203 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 1203 E C 2.273 178.784 176.600 -0.149 0.000 0.989 1203 E CA 1.324 57.658 56.400 -0.109 0.000 0.800 1203 E CB -0.287 29.335 29.700 -0.130 0.000 0.746 1203 E HN 0.590 nan 8.360 nan 0.000 0.452 1204 G N 0.057 108.654 108.800 -0.337 0.000 2.484 1204 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 1204 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 1204 G C 1.300 175.911 174.900 -0.482 0.000 1.130 1204 G CA 0.209 45.007 45.100 -0.504 0.000 0.784 1204 G HN 0.230 nan 8.290 nan 0.000 0.543 1205 Y N 1.717 121.703 120.300 -0.523 0.000 2.314 1205 Y HA 0.077 4.626 4.550 -0.000 0.000 0.293 1205 Y C 2.241 178.147 175.900 0.010 0.000 1.129 1205 Y CA 0.796 58.839 58.100 -0.095 0.000 1.201 1205 Y CB 0.092 38.520 38.460 -0.054 0.000 0.999 1205 Y HN 0.323 nan 8.280 nan 0.000 0.541 1206 I N -3.165 117.405 120.570 -0.000 0.000 4.082 1206 I HA 0.249 4.419 4.170 -0.000 0.000 0.337 1206 I C 0.784 176.905 176.117 0.008 0.000 1.352 1206 I CA -0.035 61.248 61.300 -0.028 0.000 1.097 1206 I CB -0.314 37.729 38.000 0.071 0.000 1.048 1206 I HN -0.094 nan 8.210 nan 0.000 0.393 1207 T N 1.204 115.769 114.554 0.018 0.000 2.903 1207 T HA 0.156 4.506 4.350 -0.000 0.000 0.314 1207 T C 1.376 176.111 174.700 0.058 0.000 1.078 1207 T CA 0.144 62.268 62.100 0.040 0.000 1.114 1207 T CB 0.857 69.758 68.868 0.056 0.000 0.987 1207 T HN 0.377 nan 8.240 nan 0.000 0.548 1208 R N 2.224 122.758 120.500 0.056 0.000 2.105 1208 R HA -0.081 4.259 4.340 -0.000 0.000 0.239 1208 R C 2.443 178.796 176.300 0.088 0.000 1.135 1208 R CA 1.443 57.579 56.100 0.060 0.000 0.967 1208 R CB -0.617 29.711 30.300 0.046 0.000 0.861 1208 R HN 0.775 nan 8.270 nan 0.000 0.442 1209 G N 0.917 109.786 108.800 0.115 0.000 2.598 1209 G HA2 0.039 3.999 3.960 -0.000 0.000 0.215 1209 G HA3 0.039 3.999 3.960 -0.000 0.000 0.215 1209 G C 0.474 175.540 174.900 0.276 0.000 1.131 1209 G CA 0.294 45.492 45.100 0.163 0.000 0.785 1209 G HN 0.406 nan 8.290 nan 0.000 0.539 1210 A N 0.623 123.575 122.820 0.220 0.000 2.632 1210 A HA 0.403 4.723 4.320 -0.000 0.000 0.229 1210 A C 0.355 178.133 177.584 0.324 0.000 1.047 1210 A CA 0.789 52.958 52.037 0.220 0.000 0.754 1210 A CB -0.159 18.903 19.000 0.103 0.000 0.969 1210 A HN 0.924 nan 8.150 nan 0.000 0.509 1211 W N -1.929 119.402 121.300 0.053 0.000 2.926 1211 W HA 0.537 5.197 4.660 -0.000 0.000 0.361 1211 W C 0.477 177.020 176.519 0.041 0.000 1.195 1211 W CA -0.527 56.837 57.345 0.032 0.000 1.177 1211 W CB 0.390 29.861 29.460 0.018 0.000 1.453 1211 W HN 1.217 nan 8.180 nan 0.000 0.571 1212 A N 1.316 124.239 122.820 0.172 0.000 1.997 1212 A HA -0.359 3.961 4.320 -0.000 0.000 0.237 1212 A C 1.913 179.250 177.584 -0.413 0.000 1.807 1212 A CA 3.915 55.935 52.037 -0.029 0.000 0.863 1212 A CB -1.412 17.704 19.000 0.194 0.000 0.821 1212 A HN 1.063 nan 8.150 nan 0.000 0.500 1213 L N -0.865 119.859 121.223 -0.833 0.000 2.021 1213 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 1213 L C 2.531 178.949 176.870 -0.753 0.000 1.074 1213 L CA 3.120 57.477 54.840 -0.805 0.000 0.760 1213 L CB -1.182 40.315 42.059 -0.937 0.000 0.889 1213 L HN 0.538 nan 8.230 nan 0.000 0.433 1214 T N -0.789 113.107 114.554 -1.097 0.000 2.821 1214 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 1214 T C 1.452 175.923 174.700 -0.380 0.000 1.046 1214 T CA 1.278 62.946 62.100 -0.721 0.000 1.139 1214 T CB -0.277 68.190 68.868 -0.668 0.000 0.871 1214 T HN 0.417 nan 8.240 nan 0.000 0.454 1215 D N 1.361 121.648 120.400 -0.187 0.000 2.117 1215 D HA 0.011 4.651 4.640 -0.000 0.000 0.198 1215 D C 2.372 178.726 176.300 0.090 0.000 0.982 1215 D CA 1.158 55.269 54.000 0.185 0.000 0.828 1215 D CB -0.448 40.462 40.800 0.183 0.000 0.967 1215 D HN 0.377 nan 8.370 nan 0.000 0.464 1216 A N 1.002 123.776 122.820 -0.077 0.000 1.865 1216 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 1216 A C 2.436 179.941 177.584 -0.132 0.000 1.191 1216 A CA 1.128 53.109 52.037 -0.094 0.000 0.623 1216 A CB -0.958 17.969 19.000 -0.123 0.000 0.826 1216 A HN 0.193 nan 8.150 nan 0.000 0.444 1217 L N -1.514 119.582 121.223 -0.211 0.000 1.971 1217 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 1217 L C 2.625 179.405 176.870 -0.150 0.000 1.072 1217 L CA 2.154 56.864 54.840 -0.216 0.000 0.758 1217 L CB -0.952 40.909 42.059 -0.330 0.000 0.889 1217 L HN 0.562 nan 8.230 nan 0.000 0.433 1218 H N -1.163 117.860 119.070 -0.078 0.000 2.289 1218 H HA -0.249 4.307 4.556 -0.000 0.000 0.296 1218 H C 2.139 177.324 175.328 -0.239 0.000 1.091 1218 H CA 1.636 57.630 56.048 -0.090 0.000 1.274 1218 H CB -0.010 29.758 29.762 0.009 0.000 1.364 1218 H HN 0.186 nan 8.280 nan 0.000 0.490 1219 I N 1.094 121.507 120.570 -0.262 0.000 2.335 1219 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 1219 I C 2.100 178.095 176.117 -0.204 0.000 1.129 1219 I CA 1.407 62.454 61.300 -0.421 0.000 1.402 1219 I CB -0.150 37.583 38.000 -0.446 0.000 1.069 1219 I HN 0.012 nan 8.210 nan 0.000 0.424 1220 K N 0.973 121.295 120.400 -0.130 0.000 2.062 1220 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 1220 K C 2.081 178.642 176.600 -0.065 0.000 1.051 1220 K CA 1.564 57.798 56.287 -0.089 0.000 0.941 1220 K CB -0.694 31.759 32.500 -0.078 0.000 0.719 1220 K HN 0.326 nan 8.250 nan 0.000 0.440 1221 A N 1.033 123.828 122.820 -0.041 0.000 1.865 1221 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 1221 A C 2.268 179.837 177.584 -0.025 0.000 1.191 1221 A CA 1.881 53.917 52.037 -0.001 0.000 0.623 1221 A CB -0.812 18.224 19.000 0.060 0.000 0.826 1221 A HN 0.333 nan 8.150 nan 0.000 0.444 1222 I N -0.605 119.927 120.570 -0.063 0.000 2.118 1222 I HA -0.338 3.832 4.170 -0.000 0.000 0.241 1222 I C 2.615 178.685 176.117 -0.079 0.000 1.070 1222 I CA 2.064 63.310 61.300 -0.091 0.000 1.327 1222 I CB -0.558 37.347 38.000 -0.158 0.000 1.034 1222 I HN 0.587 nan 8.210 nan 0.000 0.405 1223 E N 1.563 121.711 120.200 -0.087 0.000 2.048 1223 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 1223 E C 2.268 178.840 176.600 -0.047 0.000 1.021 1223 E CA 2.173 58.532 56.400 -0.067 0.000 0.825 1223 E CB -0.147 29.512 29.700 -0.067 0.000 0.756 1223 E HN 0.460 nan 8.360 nan 0.000 0.454 1224 I N 0.793 121.340 120.570 -0.038 0.000 2.099 1224 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 1224 I C 2.633 178.740 176.117 -0.016 0.000 1.066 1224 I CA 1.294 62.580 61.300 -0.022 0.000 1.324 1224 I CB -0.478 37.516 38.000 -0.011 0.000 1.037 1224 I HN 0.223 nan 8.210 nan 0.000 0.401 1225 I N 1.124 121.685 120.570 -0.014 0.000 2.118 1225 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 1225 I C 2.906 179.006 176.117 -0.027 0.000 1.070 1225 I CA 1.635 62.926 61.300 -0.014 0.000 1.327 1225 I CB -0.687 37.301 38.000 -0.018 0.000 1.034 1225 I HN 0.244 nan 8.210 nan 0.000 0.405 1226 A N 0.834 123.630 122.820 -0.041 0.000 1.948 1226 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 1226 A C 2.225 179.789 177.584 -0.033 0.000 1.177 1226 A CA 2.138 54.148 52.037 -0.045 0.000 0.636 1226 A CB -1.374 17.593 19.000 -0.055 0.000 0.815 1226 A HN 0.538 nan 8.150 nan 0.000 0.449 1227 G N -2.625 106.158 108.800 -0.028 0.000 3.181 1227 G HA2 0.405 4.365 3.960 -0.000 0.000 0.219 1227 G HA3 0.405 4.365 3.960 -0.000 0.000 0.219 1227 G C 0.730 175.621 174.900 -0.015 0.000 1.182 1227 G CA 1.012 46.099 45.100 -0.022 0.000 0.791 1227 G HN 0.914 nan 8.290 nan 0.000 0.537 1228 A N -0.665 122.147 122.820 -0.013 0.000 1.999 1228 A HA 0.349 4.669 4.320 -0.000 0.000 0.190 1228 A C 1.777 179.358 177.584 -0.005 0.000 1.737 1228 A CA 0.117 52.151 52.037 -0.006 0.000 1.257 1228 A CB -0.291 18.709 19.000 0.000 0.000 1.401 1228 A HN 0.168 nan 8.150 nan 0.000 0.430 1229 L N 0.384 121.601 121.223 -0.009 0.000 2.010 1229 L HA -0.316 4.024 4.340 -0.000 0.000 0.219 1229 L C 2.702 179.565 176.870 -0.010 0.000 1.077 1229 L CA 2.247 57.081 54.840 -0.010 0.000 0.773 1229 L CB -0.356 41.691 42.059 -0.021 0.000 0.892 1229 L HN 0.471 nan 8.230 nan 0.000 0.436 1230 R N -0.861 119.630 120.500 -0.014 0.000 2.103 1230 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 1230 R C 2.166 178.461 176.300 -0.008 0.000 1.132 1230 R CA 1.719 57.812 56.100 -0.012 0.000 0.925 1230 R CB -0.970 29.322 30.300 -0.013 0.000 0.842 1230 R HN 0.576 nan 8.270 nan 0.000 0.430 1231 G N -0.363 108.433 108.800 -0.006 0.000 2.440 1231 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 1231 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 1231 G C 1.425 176.324 174.900 -0.000 0.000 1.154 1231 G CA 1.064 46.162 45.100 -0.003 0.000 0.767 1231 G HN 0.391 nan 8.290 nan 0.000 0.552 1232 S N -0.361 115.340 115.700 0.002 0.000 2.359 1232 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 1232 S C 2.490 177.092 174.600 0.003 0.000 1.035 1232 S CA 1.657 59.861 58.200 0.006 0.000 1.018 1232 S CB -0.344 62.861 63.200 0.009 0.000 0.876 1232 S HN 0.124 nan 8.310 nan 0.000 0.448 1233 V N 1.854 121.767 119.914 -0.000 0.000 2.407 1233 V HA -0.066 4.054 4.120 -0.000 0.000 0.248 1233 V C 2.686 178.778 176.094 -0.002 0.000 1.055 1233 V CA 1.689 63.988 62.300 -0.002 0.000 1.049 1233 V CB -1.118 30.701 31.823 -0.007 0.000 0.662 1233 V HN 0.620 nan 8.190 nan 0.000 0.455 1234 A N -1.033 121.786 122.820 -0.003 0.000 2.206 1234 A HA 0.378 4.698 4.320 -0.000 0.000 0.211 1234 A C 1.927 179.510 177.584 -0.001 0.000 1.158 1234 A CA 1.248 53.283 52.037 -0.003 0.000 0.761 1234 A CB -0.237 18.761 19.000 -0.004 0.000 0.801 1234 A HN 1.065 nan 8.150 nan 0.000 0.473 1235 G N -0.752 108.048 108.800 0.001 0.000 2.229 1235 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.189 1235 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.189 1235 G C -0.088 174.815 174.900 0.004 0.000 1.000 1235 G CA 0.118 45.220 45.100 0.002 0.000 0.663 1235 G HN 0.513 nan 8.290 nan 0.000 0.493 1236 D N 1.248 121.650 120.400 0.003 0.000 2.363 1236 D HA 0.272 4.912 4.640 -0.000 0.000 0.263 1236 D C 1.595 177.900 176.300 0.008 0.000 1.258 1236 D CA 0.101 54.104 54.000 0.005 0.000 0.907 1236 D CB 0.595 41.397 40.800 0.003 0.000 1.107 1236 D HN 0.368 nan 8.370 nan 0.000 0.495 1237 K N 2.596 123.002 120.400 0.009 0.000 2.147 1237 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 1237 K C 0.975 177.584 176.600 0.015 0.000 1.049 1237 K CA 0.844 57.138 56.287 0.012 0.000 0.936 1237 K CB 0.216 32.723 32.500 0.011 0.000 0.722 1237 K HN 0.448 nan 8.250 nan 0.000 0.446 1238 D N 0.555 120.962 120.400 0.013 0.000 2.178 1238 D HA -0.065 4.574 4.640 -0.000 0.000 0.202 1238 D C 1.699 178.008 176.300 0.014 0.000 0.974 1238 D CA 0.807 54.815 54.000 0.014 0.000 0.841 1238 D CB 0.059 40.865 40.800 0.010 0.000 0.953 1238 D HN 0.165 nan 8.370 nan 0.000 0.478 1239 A N 0.384 123.211 122.820 0.011 0.000 2.015 1239 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 1239 A C 2.288 179.883 177.584 0.017 0.000 1.163 1239 A CA 1.750 53.793 52.037 0.011 0.000 0.646 1239 A CB -0.725 18.278 19.000 0.006 0.000 0.806 1239 A HN 0.288 nan 8.150 nan 0.000 0.448 1240 G N -0.341 108.471 108.800 0.020 0.000 2.402 1240 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 1240 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 1240 G C 1.437 176.361 174.900 0.039 0.000 1.162 1240 G CA 1.040 46.157 45.100 0.028 0.000 0.777 1240 G HN 0.654 nan 8.290 nan 0.000 0.539 1241 E N 0.507 120.729 120.200 0.038 0.000 2.110 1241 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 1241 E C 2.259 178.889 176.600 0.050 0.000 0.988 1241 E CA 1.239 57.669 56.400 0.049 0.000 0.804 1241 E CB -0.118 29.608 29.700 0.042 0.000 0.745 1241 E HN 0.606 nan 8.360 nan 0.000 0.458 1242 E N -0.095 120.126 120.200 0.034 0.000 2.051 1242 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 1242 E C 2.188 178.812 176.600 0.041 0.000 0.991 1242 E CA 1.163 57.579 56.400 0.027 0.000 0.799 1242 E CB -0.116 29.591 29.700 0.013 0.000 0.748 1242 E HN 0.332 nan 8.360 nan 0.000 0.449 1243 M N 0.605 120.231 119.600 0.043 0.000 2.073 1243 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 1243 M C 2.556 178.909 176.300 0.088 0.000 1.070 1243 M CA 1.583 56.916 55.300 0.054 0.000 1.103 1243 M CB -1.261 31.365 32.600 0.045 0.000 1.321 1243 M HN 0.142 nan 8.290 nan 0.000 0.405 1244 A N 0.016 122.893 122.820 0.096 0.000 1.971 1244 A HA -0.227 4.092 4.320 -0.000 0.000 0.222 1244 A C 2.207 179.904 177.584 0.189 0.000 1.182 1244 A CA 1.948 54.067 52.037 0.136 0.000 0.649 1244 A CB -0.957 18.117 19.000 0.124 0.000 0.818 1244 A HN 0.465 nan 8.150 nan 0.000 0.458 1245 L N -0.441 120.872 121.223 0.151 0.000 2.034 1245 L HA 0.134 4.474 4.340 -0.000 0.000 0.203 1245 L C 2.490 179.462 176.870 0.170 0.000 1.074 1245 L CA 2.371 57.301 54.840 0.150 0.000 0.748 1245 L CB -1.379 40.698 42.059 0.030 0.000 0.905 1245 L HN 0.288 nan 8.230 nan 0.000 0.439 1246 G N -0.530 108.334 108.800 0.107 0.000 2.513 1246 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.219 1246 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.219 1246 G C 1.346 176.333 174.900 0.146 0.000 1.160 1246 G CA 1.222 46.379 45.100 0.096 0.000 0.767 1246 G HN 0.668 nan 8.290 nan 0.000 0.571 1247 Q N -0.717 119.185 119.800 0.170 0.000 2.124 1247 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 1247 Q C 2.226 178.383 176.000 0.262 0.000 0.977 1247 Q CA 1.760 57.686 55.803 0.206 0.000 0.850 1247 Q CB -0.827 28.024 28.738 0.188 0.000 0.901 1247 Q HN 0.574 nan 8.270 nan 0.000 0.429 1248 Y N 1.047 121.450 120.300 0.172 0.000 2.163 1248 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 1248 Y C 1.988 177.975 175.900 0.144 0.000 1.136 1248 Y CA 1.689 59.900 58.100 0.185 0.000 1.147 1248 Y CB -0.237 38.389 38.460 0.276 0.000 0.987 1248 Y HN 0.022 nan 8.280 nan 0.000 0.509 1249 V N 1.018 121.094 119.914 0.269 0.000 2.231 1249 V HA -0.418 3.702 4.120 -0.000 0.000 0.248 1249 V C 2.745 178.859 176.094 0.034 0.000 1.054 1249 V CA 2.169 64.536 62.300 0.112 0.000 1.015 1249 V CB -1.847 30.027 31.823 0.086 0.000 0.638 1249 V HN 0.599 nan 8.190 nan 0.000 0.444 1250 A N 0.585 123.489 122.820 0.141 0.000 1.927 1250 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 1250 A C 2.426 180.210 177.584 0.332 0.000 1.185 1250 A CA 2.435 54.644 52.037 0.287 0.000 0.639 1250 A CB -1.433 17.763 19.000 0.327 0.000 0.820 1250 A HN 0.609 nan 8.150 nan 0.000 0.451 1251 G N -0.827 108.062 108.800 0.149 0.000 2.440 1251 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 1251 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 1251 G C 1.604 176.258 174.900 -0.409 0.000 1.154 1251 G CA 1.200 46.187 45.100 -0.189 0.000 0.767 1251 G HN 0.515 nan 8.290 nan 0.000 0.552 1252 M N 0.755 120.146 119.600 -0.349 0.000 2.260 1252 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 1252 M C 2.593 178.731 176.300 -0.270 0.000 1.066 1252 M CA 1.414 56.530 55.300 -0.307 0.000 1.082 1252 M CB -0.305 32.161 32.600 -0.223 0.000 1.388 1252 M HN 0.311 nan 8.290 nan 0.000 0.419 1253 G N 0.430 109.074 108.800 -0.260 0.000 2.664 1253 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 1253 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 1253 G C 1.111 176.025 174.900 0.022 0.000 1.243 1253 G CA 0.339 45.221 45.100 -0.363 0.000 0.859 1253 G HN 0.521 nan 8.290 nan 0.000 0.574 1254 F N 1.998 122.165 119.950 0.360 0.000 2.202 1254 F HA -0.050 4.477 4.527 -0.000 0.000 0.301 1254 F C 2.560 178.370 175.800 0.017 0.000 1.082 1254 F CA 1.537 59.648 58.000 0.185 0.000 1.313 1254 F CB -0.736 38.282 39.000 0.029 0.000 1.024 1254 F HN 0.195 nan 8.300 nan 0.000 0.495 1255 S N 0.873 116.021 115.700 -0.920 0.000 2.374 1255 S HA -0.253 4.217 4.470 -0.000 0.000 0.227 1255 S C 1.485 175.943 174.600 -0.238 0.000 1.037 1255 S CA 1.783 59.571 58.200 -0.687 0.000 1.024 1255 S CB -0.915 61.899 63.200 -0.643 0.000 0.861 1255 S HN 0.701 nan 8.310 nan 0.000 0.456 1256 N N 0.269 118.881 118.700 -0.148 0.000 2.346 1256 N HA 0.197 4.937 4.740 -0.000 0.000 0.225 1256 N C 0.213 175.781 175.510 0.098 0.000 1.144 1256 N CA 0.292 53.334 53.050 -0.013 0.000 0.837 1256 N CB 1.162 39.654 38.487 0.009 0.000 1.069 1256 N HN 0.311 nan 8.380 nan 0.000 0.487 1257 V N -1.275 118.706 119.914 0.111 0.000 3.524 1257 V HA 0.194 4.314 4.120 -0.000 0.000 0.257 1257 V C 0.221 176.408 176.094 0.154 0.000 1.775 1257 V CA 0.629 63.035 62.300 0.176 0.000 1.072 1257 V CB 0.266 32.239 31.823 0.249 0.000 0.940 1257 V HN 0.404 nan 8.190 nan 0.000 0.357 1258 G N 0.173 109.066 108.800 0.156 0.000 2.566 1258 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.599 1258 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.599 1258 G C -0.885 174.090 174.900 0.124 0.000 1.292 1258 G CA -0.090 45.092 45.100 0.137 0.000 0.922 1258 G HN 0.562 nan 8.290 nan 0.000 0.514 1259 L N -0.647 120.606 121.223 0.050 0.000 3.031 1259 L HA 0.942 5.282 4.340 -0.000 0.000 0.225 1259 L C 1.336 178.202 176.870 -0.007 0.000 2.008 1259 L CA -0.184 54.630 54.840 -0.044 0.000 2.397 1259 L CB 0.770 42.711 42.059 -0.197 0.000 2.358 1259 L HN 1.575 nan 8.230 nan 0.000 0.593 1260 G N -1.166 107.630 108.800 -0.006 0.000 2.677 1260 G HA2 0.279 4.239 3.960 -0.000 0.000 0.283 1260 G HA3 0.279 4.239 3.960 -0.000 0.000 0.283 1260 G C -0.082 174.835 174.900 0.028 0.000 1.221 1260 G CA -0.536 44.577 45.100 0.021 0.000 0.851 1260 G HN 0.294 nan 8.290 nan 0.000 0.504 1261 L N 0.377 121.608 121.223 0.013 0.000 2.042 1261 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 1261 L C 3.117 179.954 176.870 -0.056 0.000 1.076 1261 L CA 1.376 56.199 54.840 -0.028 0.000 0.749 1261 L CB -0.414 41.609 42.059 -0.060 0.000 0.893 1261 L HN 0.344 nan 8.230 nan 0.000 0.432 1262 V N -0.773 119.118 119.914 -0.039 0.000 2.278 1262 V HA -0.380 3.740 4.120 -0.000 0.000 0.251 1262 V C 2.268 178.297 176.094 -0.109 0.000 1.062 1262 V CA 2.212 64.468 62.300 -0.074 0.000 1.038 1262 V CB -0.892 30.907 31.823 -0.041 0.000 0.646 1262 V HN 0.487 nan 8.190 nan 0.000 0.447 1263 H N 0.211 119.176 119.070 -0.175 0.000 2.436 1263 H HA 0.076 4.632 4.556 -0.000 0.000 0.294 1263 H C 2.290 177.455 175.328 -0.271 0.000 1.048 1263 H CA 1.332 57.220 56.048 -0.267 0.000 1.353 1263 H CB -0.655 29.001 29.762 -0.176 0.000 1.414 1263 H HN 0.430 nan 8.280 nan 0.000 0.536 1264 G N -0.392 108.411 108.800 0.004 0.000 2.422 1264 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 1264 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 1264 G C 1.512 176.428 174.900 0.026 0.000 1.140 1264 G CA 0.616 45.750 45.100 0.057 0.000 0.775 1264 G HN 0.322 nan 8.290 nan 0.000 0.545 1265 M N 0.357 119.915 119.600 -0.070 0.000 2.514 1265 M HA 0.262 4.742 4.480 -0.000 0.000 0.258 1265 M C 2.679 178.993 176.300 0.023 0.000 1.119 1265 M CA 0.617 55.866 55.300 -0.085 0.000 1.111 1265 M CB 0.400 32.761 32.600 -0.397 0.000 1.390 1265 M HN 0.309 nan 8.290 nan 0.000 0.475 1266 A N -0.765 121.993 122.820 -0.104 0.000 1.943 1266 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 1266 A C 1.558 179.149 177.584 0.011 0.000 1.181 1266 A CA 0.935 52.893 52.037 -0.131 0.000 0.653 1266 A CB -0.777 17.968 19.000 -0.424 0.000 0.833 1266 A HN 0.444 nan 8.150 nan 0.000 0.451 1267 H N 0.265 119.372 119.070 0.063 0.000 2.290 1267 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 1267 H C -0.580 174.836 175.328 0.146 0.000 1.087 1267 H CA 1.767 57.891 56.048 0.126 0.000 1.291 1267 H CB -0.829 29.017 29.762 0.141 0.000 1.369 1267 H HN 0.371 nan 8.280 nan 0.000 0.492 1268 P HA -0.153 nan 4.420 nan 0.000 0.218 1268 P C 1.229 178.625 177.300 0.159 0.000 1.148 1268 P CA 0.891 64.108 63.100 0.194 0.000 0.822 1268 P CB 0.094 31.836 31.700 0.071 0.000 0.784 1269 L N -0.747 120.572 121.223 0.160 0.000 2.141 1269 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 1269 L C 2.314 179.342 176.870 0.263 0.000 1.094 1269 L CA 1.911 56.879 54.840 0.214 0.000 0.763 1269 L CB -1.670 40.505 42.059 0.192 0.000 0.908 1269 L HN -0.023 nan 8.230 nan 0.000 0.437 1270 G N -1.461 107.476 108.800 0.228 0.000 2.434 1270 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 1270 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 1270 G C 1.673 176.691 174.900 0.198 0.000 1.202 1270 G CA 0.727 45.954 45.100 0.212 0.000 0.788 1270 G HN 0.493 nan 8.290 nan 0.000 0.539 1271 A N 0.076 123.026 122.820 0.216 0.000 1.948 1271 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 1271 A C 2.200 179.846 177.584 0.103 0.000 1.177 1271 A CA 1.695 53.835 52.037 0.172 0.000 0.636 1271 A CB -0.527 18.606 19.000 0.222 0.000 0.815 1271 A HN 0.301 nan 8.150 nan 0.000 0.449 1272 F N -2.539 117.333 119.950 -0.130 0.000 2.179 1272 F HA 0.052 4.579 4.527 -0.000 0.000 0.292 1272 F C 1.423 176.904 175.800 -0.532 0.000 1.089 1272 F CA 1.206 58.952 58.000 -0.424 0.000 1.295 1272 F CB -0.208 38.368 39.000 -0.706 0.000 1.041 1272 F HN 0.284 nan 8.300 nan 0.000 0.487 1273 Y N -1.350 119.084 120.300 0.224 0.000 2.682 1273 Y HA 0.284 4.834 4.550 -0.000 0.000 0.251 1273 Y C 0.576 176.530 175.900 0.090 0.000 1.172 1273 Y CA -0.800 57.378 58.100 0.129 0.000 1.186 1273 Y CB -0.507 38.021 38.460 0.114 0.000 1.216 1273 Y HN -0.055 nan 8.280 nan 0.000 0.540 1274 N N 0.657 119.471 118.700 0.190 0.000 2.714 1274 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 1274 N C -0.652 174.942 175.510 0.141 0.000 1.117 1274 N CA 1.344 54.477 53.050 0.139 0.000 0.719 1274 N CB -1.163 37.387 38.487 0.105 0.000 1.081 1274 N HN 0.229 nan 8.380 nan 0.000 0.557 1275 T N 1.740 116.397 114.554 0.172 0.000 2.834 1275 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 1275 T C -2.179 172.580 174.700 0.099 0.000 0.966 1275 T CA -0.673 61.501 62.100 0.123 0.000 1.141 1275 T CB 1.080 70.022 68.868 0.123 0.000 0.905 1275 T HN 0.013 nan 8.240 nan 0.000 0.535 1276 P HA 0.014 nan 4.420 nan 0.000 0.261 1276 P C 0.676 178.021 177.300 0.075 0.000 1.183 1276 P CA 0.139 63.284 63.100 0.076 0.000 0.761 1276 P CB 0.335 32.063 31.700 0.047 0.000 0.785 1277 H N 3.970 123.049 119.070 0.014 0.000 2.325 1277 H HA -0.251 4.305 4.556 -0.000 0.000 0.293 1277 H C 2.087 177.364 175.328 -0.085 0.000 1.106 1277 H CA 2.779 58.810 56.048 -0.028 0.000 1.247 1277 H CB -0.609 29.160 29.762 0.012 0.000 1.359 1277 H HN 0.546 nan 8.280 nan 0.000 0.488 1278 G N -0.242 108.576 108.800 0.029 0.000 2.459 1278 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 1278 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 1278 G C 1.903 176.731 174.900 -0.119 0.000 1.183 1278 G CA 2.145 47.209 45.100 -0.061 0.000 0.776 1278 G HN 0.559 nan 8.290 nan 0.000 0.552 1279 V N -0.659 119.212 119.914 -0.072 0.000 2.427 1279 V HA 0.098 4.218 4.120 -0.000 0.000 0.248 1279 V C 2.964 179.000 176.094 -0.096 0.000 1.051 1279 V CA 1.816 64.073 62.300 -0.072 0.000 1.048 1279 V CB -1.183 30.616 31.823 -0.039 0.000 0.666 1279 V HN 0.446 nan 8.190 nan 0.000 0.456 1280 A N 1.575 124.327 122.820 -0.112 0.000 1.841 1280 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 1280 A C 2.090 179.562 177.584 -0.186 0.000 1.199 1280 A CA 2.537 54.502 52.037 -0.120 0.000 0.621 1280 A CB -1.337 17.590 19.000 -0.121 0.000 0.835 1280 A HN 0.701 nan 8.150 nan 0.000 0.445 1281 N N 0.075 118.577 118.700 -0.330 0.000 2.037 1281 N HA -0.221 4.519 4.740 -0.000 0.000 0.196 1281 N C 2.023 177.404 175.510 -0.215 0.000 1.034 1281 N CA 1.353 54.200 53.050 -0.338 0.000 0.861 1281 N CB -0.342 37.864 38.487 -0.469 0.000 1.039 1281 N HN 0.531 nan 8.380 nan 0.000 0.427 1282 A N 1.523 124.229 122.820 -0.190 0.000 1.884 1282 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 1282 A C 2.185 179.691 177.584 -0.131 0.000 1.197 1282 A CA 1.521 53.467 52.037 -0.152 0.000 0.637 1282 A CB -0.944 17.985 19.000 -0.118 0.000 0.827 1282 A HN 0.258 nan 8.150 nan 0.000 0.450 1283 I N -0.609 119.911 120.570 -0.084 0.000 2.179 1283 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 1283 I C 2.344 178.490 176.117 0.048 0.000 1.088 1283 I CA 0.804 62.097 61.300 -0.012 0.000 1.357 1283 I CB -0.345 37.658 38.000 0.006 0.000 1.051 1283 I HN 0.253 nan 8.210 nan 0.000 0.409 1284 L N -0.267 120.958 121.223 0.002 0.000 1.961 1284 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 1284 L C 2.486 179.331 176.870 -0.042 0.000 1.075 1284 L CA 1.472 56.333 54.840 0.035 0.000 0.749 1284 L CB -1.739 40.274 42.059 -0.076 0.000 0.890 1284 L HN 0.233 nan 8.230 nan 0.000 0.433 1285 L N 0.111 121.254 121.223 -0.133 0.000 2.402 1285 L HA -0.319 4.021 4.340 -0.000 0.000 0.240 1285 L C -0.555 176.161 176.870 -0.257 0.000 1.135 1285 L CA 2.976 57.705 54.840 -0.184 0.000 0.830 1285 L CB -2.267 39.660 42.059 -0.220 0.000 0.988 1285 L HN 0.170 nan 8.230 nan 0.000 0.428 1286 P HA -0.159 nan 4.420 nan 0.000 0.215 1286 P C 1.298 178.350 177.300 -0.413 0.000 1.157 1286 P CA 2.271 64.929 63.100 -0.737 0.000 0.874 1286 P CB -0.250 30.331 31.700 -1.864 0.000 0.790 1287 H N -1.279 117.711 119.070 -0.134 0.000 2.290 1287 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 1287 H C 1.870 177.228 175.328 0.050 0.000 1.087 1287 H CA 1.305 57.378 56.048 0.040 0.000 1.291 1287 H CB -1.139 28.658 29.762 0.058 0.000 1.369 1287 H HN -0.127 nan 8.280 nan 0.000 0.492 1288 V N 0.765 120.746 119.914 0.111 0.000 2.392 1288 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 1288 V C 2.331 178.524 176.094 0.166 0.000 1.059 1288 V CA 1.851 64.212 62.300 0.101 0.000 1.051 1288 V CB -0.568 31.262 31.823 0.011 0.000 0.658 1288 V HN 0.431 nan 8.190 nan 0.000 0.455 1289 M N -0.955 118.700 119.600 0.093 0.000 2.080 1289 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 1289 M C 2.552 179.031 176.300 0.299 0.000 1.068 1289 M CA 1.891 57.298 55.300 0.179 0.000 1.109 1289 M CB -0.490 32.107 32.600 -0.006 0.000 1.342 1289 M HN 0.226 nan 8.290 nan 0.000 0.405 1290 R N -0.508 120.127 120.500 0.225 0.000 2.082 1290 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 1290 R C 2.141 178.573 176.300 0.220 0.000 1.136 1290 R CA 1.994 58.229 56.100 0.226 0.000 0.935 1290 R CB -1.227 29.206 30.300 0.221 0.000 0.842 1290 R HN 0.435 nan 8.270 nan 0.000 0.430 1291 Y N 1.965 122.335 120.300 0.117 0.000 2.446 1291 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 1291 Y C 1.338 177.291 175.900 0.088 0.000 1.159 1291 Y CA 1.516 59.668 58.100 0.087 0.000 1.297 1291 Y CB -0.110 38.377 38.460 0.044 0.000 0.974 1291 Y HN 0.093 nan 8.280 nan 0.000 0.557 1292 N N -0.686 118.090 118.700 0.126 0.000 2.407 1292 N HA 0.135 4.875 4.740 -0.000 0.000 0.182 1292 N C 1.926 177.475 175.510 0.065 0.000 1.079 1292 N CA 0.853 53.946 53.050 0.072 0.000 0.882 1292 N CB -0.541 38.041 38.487 0.158 0.000 1.106 1292 N HN 0.345 nan 8.380 nan 0.000 0.461 1293 A N 2.079 124.881 122.820 -0.031 0.000 1.883 1293 A HA -0.311 4.009 4.320 -0.000 0.000 0.232 1293 A C 1.603 178.967 177.584 -0.367 0.000 1.671 1293 A CA 2.543 54.326 52.037 -0.424 0.000 0.748 1293 A CB -1.147 17.755 19.000 -0.164 0.000 0.850 1293 A HN 0.240 nan 8.150 nan 0.000 0.488 1294 D N -0.993 119.299 120.400 -0.181 0.000 2.239 1294 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 1294 D C 0.511 176.539 176.300 -0.454 0.000 0.993 1294 D CA 1.110 54.912 54.000 -0.331 0.000 0.874 1294 D CB -0.380 40.155 40.800 -0.441 0.000 0.922 1294 D HN 0.519 nan 8.370 nan 0.000 0.464 1295 F N -0.178 119.648 119.950 -0.207 0.000 2.975 1295 F HA 0.254 4.781 4.527 -0.000 0.000 0.311 1295 F C 1.003 176.711 175.800 -0.154 0.000 1.239 1295 F CA -0.362 57.545 58.000 -0.155 0.000 1.282 1295 F CB -0.080 38.844 39.000 -0.128 0.000 1.071 1295 F HN -0.205 nan 8.300 nan 0.000 0.516 1296 T N -3.015 111.484 114.554 -0.093 0.000 3.541 1296 T HA 0.475 4.825 4.350 -0.000 0.000 0.309 1296 T C 1.068 175.697 174.700 -0.119 0.000 0.973 1296 T CA -0.048 61.989 62.100 -0.105 0.000 0.993 1296 T CB -0.370 68.398 68.868 -0.166 0.000 1.206 1296 T HN 0.519 nan 8.240 nan 0.000 0.489 1297 G N 2.643 111.375 108.800 -0.114 0.000 2.616 1297 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.361 1297 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.361 1297 G C 0.732 175.591 174.900 -0.068 0.000 1.361 1297 G CA 0.737 45.783 45.100 -0.089 0.000 0.969 1297 G HN 0.453 nan 8.290 nan 0.000 0.528 1298 E N 0.921 121.104 120.200 -0.027 0.000 2.511 1298 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 1298 E C 2.508 179.158 176.600 0.084 0.000 1.066 1298 E CA 0.418 56.830 56.400 0.020 0.000 0.871 1298 E CB -0.080 29.637 29.700 0.027 0.000 0.863 1298 E HN 0.441 nan 8.360 nan 0.000 0.520 1299 K N 0.337 120.777 120.400 0.066 0.000 2.032 1299 K HA -0.206 4.114 4.320 -0.000 0.000 0.218 1299 K C 1.934 178.782 176.600 0.412 0.000 1.054 1299 K CA 1.344 57.732 56.287 0.169 0.000 0.941 1299 K CB -0.700 31.802 32.500 0.004 0.000 0.720 1299 K HN 0.260 nan 8.250 nan 0.000 0.449 1300 Y N 0.983 121.337 120.300 0.089 0.000 2.256 1300 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 1300 Y C 2.621 178.563 175.900 0.070 0.000 1.155 1300 Y CA 1.196 59.345 58.100 0.082 0.000 1.203 1300 Y CB -0.706 37.781 38.460 0.044 0.000 0.980 1300 Y HN 0.153 nan 8.280 nan 0.000 0.530 1301 R N 0.813 121.448 120.500 0.226 0.000 2.083 1301 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 1301 R C 1.726 178.093 176.300 0.111 0.000 1.137 1301 R CA 2.190 58.370 56.100 0.132 0.000 0.951 1301 R CB -0.371 29.986 30.300 0.095 0.000 0.851 1301 R HN 0.264 nan 8.270 nan 0.000 0.434 1302 D N 0.192 120.681 120.400 0.148 0.000 2.117 1302 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 1302 D C 2.050 178.378 176.300 0.047 0.000 0.982 1302 D CA 1.560 55.626 54.000 0.111 0.000 0.828 1302 D CB -0.201 40.714 40.800 0.193 0.000 0.967 1302 D HN 0.359 nan 8.370 nan 0.000 0.464 1303 I N 1.634 122.249 120.570 0.075 0.000 2.163 1303 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 1303 I C 2.654 178.743 176.117 -0.045 0.000 1.085 1303 I CA 1.173 62.454 61.300 -0.033 0.000 1.347 1303 I CB -0.342 37.612 38.000 -0.077 0.000 1.044 1303 I HN -0.071 nan 8.210 nan 0.000 0.408 1304 A N 0.623 123.438 122.820 -0.007 0.000 1.908 1304 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 1304 A C 2.460 180.039 177.584 -0.008 0.000 1.181 1304 A CA 1.721 53.753 52.037 -0.007 0.000 0.627 1304 A CB -0.679 18.337 19.000 0.027 0.000 0.818 1304 A HN 0.333 nan 8.150 nan 0.000 0.445 1305 R N -0.035 120.466 120.500 0.002 0.000 2.088 1305 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 1305 R C 2.025 178.314 176.300 -0.019 0.000 1.136 1305 R CA 2.396 58.494 56.100 -0.003 0.000 0.926 1305 R CB -0.685 29.618 30.300 0.005 0.000 0.837 1305 R HN 0.559 nan 8.270 nan 0.000 0.429 1306 V N -1.067 118.827 119.914 -0.033 0.000 3.330 1306 V HA -0.077 4.043 4.120 -0.000 0.000 0.273 1306 V C 1.472 177.537 176.094 -0.049 0.000 1.179 1306 V CA 1.393 63.665 62.300 -0.047 0.000 1.174 1306 V CB -0.468 31.312 31.823 -0.073 0.000 0.794 1306 V HN 0.306 nan 8.190 nan 0.000 0.527 1307 M N 0.335 119.909 119.600 -0.044 0.000 2.405 1307 M HA 0.450 4.930 4.480 -0.000 0.000 0.292 1307 M C 1.524 177.807 176.300 -0.029 0.000 1.111 1307 M CA 0.672 55.946 55.300 -0.044 0.000 0.979 1307 M CB 0.900 33.467 32.600 -0.055 0.000 1.426 1307 M HN 0.601 nan 8.290 nan 0.000 0.509 1308 G N 0.618 109.405 108.800 -0.023 0.000 2.217 1308 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.246 1308 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.246 1308 G C 0.141 175.035 174.900 -0.009 0.000 0.990 1308 G CA -0.228 44.863 45.100 -0.015 0.000 0.627 1308 G HN 0.297 nan 8.290 nan 0.000 0.522 1309 V N 1.826 121.736 119.914 -0.007 0.000 2.529 1309 V HA 0.212 4.332 4.120 -0.000 0.000 0.292 1309 V C 1.015 177.112 176.094 0.004 0.000 1.028 1309 V CA 0.485 62.785 62.300 0.001 0.000 1.074 1309 V CB 1.182 33.008 31.823 0.005 0.000 0.958 1309 V HN 0.326 nan 8.190 nan 0.000 0.481 1310 K N 4.128 124.531 120.400 0.006 0.000 2.155 1310 K HA 0.175 4.495 4.320 -0.000 0.000 0.240 1310 K C 0.563 177.170 176.600 0.011 0.000 1.193 1310 K CA -0.242 56.049 56.287 0.006 0.000 1.104 1310 K CB 0.462 32.965 32.500 0.005 0.000 1.558 1310 K HN 0.581 nan 8.250 nan 0.000 0.313 1311 V N 1.769 121.692 119.914 0.015 0.000 3.559 1311 V HA -0.153 3.967 4.120 -0.000 0.000 0.272 1311 V C 1.964 178.069 176.094 0.018 0.000 1.235 1311 V CA 0.990 63.303 62.300 0.021 0.000 1.192 1311 V CB -1.270 30.571 31.823 0.029 0.000 0.930 1311 V HN 0.681 nan 8.190 nan 0.000 0.492 1312 E N 2.210 122.417 120.200 0.013 0.000 2.007 1312 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 1312 E C 2.043 178.649 176.600 0.010 0.000 1.020 1312 E CA 1.733 58.140 56.400 0.011 0.000 0.845 1312 E CB -0.385 29.319 29.700 0.008 0.000 0.779 1312 E HN 0.554 nan 8.360 nan 0.000 0.466 1313 G N 0.142 108.947 108.800 0.009 0.000 3.383 1313 G HA2 0.174 4.134 3.960 -0.000 0.000 0.251 1313 G HA3 0.174 4.134 3.960 -0.000 0.000 0.251 1313 G C 0.097 175.003 174.900 0.010 0.000 1.203 1313 G CA -0.362 44.743 45.100 0.008 0.000 0.852 1313 G HN 0.088 nan 8.290 nan 0.000 0.531 1314 M N 1.425 121.033 119.600 0.013 0.000 2.250 1314 M HA 0.289 4.768 4.480 -0.000 0.000 0.344 1314 M C 0.739 177.047 176.300 0.014 0.000 1.150 1314 M CA -0.331 54.978 55.300 0.016 0.000 1.147 1314 M CB 1.476 34.090 32.600 0.023 0.000 1.498 1314 M HN 0.165 nan 8.290 nan 0.000 0.461 1315 S N 1.369 117.076 115.700 0.011 0.000 2.632 1315 S HA 0.228 4.698 4.470 -0.000 0.000 0.271 1315 S C 0.674 175.279 174.600 0.008 0.000 1.260 1315 S CA -0.907 57.296 58.200 0.005 0.000 1.010 1315 S CB 1.149 64.350 63.200 0.001 0.000 0.965 1315 S HN 0.745 nan 8.310 nan 0.000 0.534 1316 L N 0.803 122.025 121.223 -0.002 0.000 2.043 1316 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 1316 L C 2.365 179.233 176.870 -0.004 0.000 1.075 1316 L CA 2.040 56.877 54.840 -0.005 0.000 0.752 1316 L CB -1.144 40.898 42.059 -0.029 0.000 0.891 1316 L HN 0.822 nan 8.230 nan 0.000 0.432 1317 E N -0.021 120.172 120.200 -0.012 0.000 2.051 1317 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 1317 E C 2.142 178.755 176.600 0.022 0.000 0.991 1317 E CA 1.344 57.741 56.400 -0.005 0.000 0.799 1317 E CB -0.167 29.527 29.700 -0.010 0.000 0.748 1317 E HN 0.577 nan 8.360 nan 0.000 0.449 1318 E N 0.068 120.282 120.200 0.022 0.000 2.021 1318 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 1318 E C 1.926 178.557 176.600 0.050 0.000 1.015 1318 E CA 1.772 58.191 56.400 0.032 0.000 0.824 1318 E CB -0.325 29.390 29.700 0.024 0.000 0.762 1318 E HN 0.274 nan 8.360 nan 0.000 0.454 1319 A N 0.804 123.656 122.820 0.053 0.000 1.873 1319 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 1319 A C 2.077 179.736 177.584 0.126 0.000 1.193 1319 A CA 2.093 54.176 52.037 0.076 0.000 0.629 1319 A CB -0.663 18.381 19.000 0.074 0.000 0.826 1319 A HN 0.160 nan 8.150 nan 0.000 0.447 1320 R N -0.489 120.095 120.500 0.141 0.000 2.117 1320 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 1320 R C 1.837 178.287 176.300 0.251 0.000 1.143 1320 R CA 1.513 57.767 56.100 0.255 0.000 0.968 1320 R CB -0.369 29.974 30.300 0.071 0.000 0.863 1320 R HN 0.573 nan 8.270 nan 0.000 0.444 1321 N N 0.252 119.038 118.700 0.142 0.000 2.250 1321 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 1321 N C 1.665 177.237 175.510 0.103 0.000 1.017 1321 N CA 1.137 54.261 53.050 0.123 0.000 0.866 1321 N CB -0.097 38.443 38.487 0.089 0.000 0.985 1321 N HN 0.198 nan 8.380 nan 0.000 0.429 1322 A N 1.386 124.256 122.820 0.083 0.000 1.908 1322 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 1322 A C 2.398 180.005 177.584 0.038 0.000 1.181 1322 A CA 1.953 54.024 52.037 0.057 0.000 0.627 1322 A CB -0.787 18.240 19.000 0.046 0.000 0.818 1322 A HN 0.312 nan 8.150 nan 0.000 0.445 1323 A N -0.661 122.182 122.820 0.039 0.000 1.851 1323 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 1323 A C 2.343 179.870 177.584 -0.095 0.000 1.195 1323 A CA 1.991 53.997 52.037 -0.052 0.000 0.622 1323 A CB -1.358 17.573 19.000 -0.114 0.000 0.831 1323 A HN 0.941 nan 8.150 nan 0.000 0.444 1324 V N 0.053 119.941 119.914 -0.044 0.000 2.380 1324 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 1324 V C 2.457 178.537 176.094 -0.023 0.000 1.063 1324 V CA 3.139 65.394 62.300 -0.075 0.000 1.055 1324 V CB -0.489 31.366 31.823 0.053 0.000 0.657 1324 V HN 0.737 nan 8.190 nan 0.000 0.455 1325 E N 0.500 120.754 120.200 0.090 0.000 2.072 1325 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 1325 E C 2.141 178.792 176.600 0.084 0.000 0.985 1325 E CA 1.665 58.162 56.400 0.163 0.000 0.801 1325 E CB -0.666 29.101 29.700 0.112 0.000 0.750 1325 E HN 0.645 nan 8.360 nan 0.000 0.452 1326 A N 0.137 122.964 122.820 0.012 0.000 1.948 1326 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 1326 A C 2.448 180.006 177.584 -0.044 0.000 1.177 1326 A CA 1.810 53.837 52.037 -0.017 0.000 0.636 1326 A CB -0.808 18.167 19.000 -0.042 0.000 0.815 1326 A HN 0.204 nan 8.150 nan 0.000 0.449 1327 V N -1.384 118.468 119.914 -0.102 0.000 2.229 1327 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 1327 V C 2.228 178.246 176.094 -0.127 0.000 1.042 1327 V CA 2.035 64.230 62.300 -0.175 0.000 1.000 1327 V CB -1.085 30.552 31.823 -0.310 0.000 0.637 1327 V HN 0.523 nan 8.190 nan 0.000 0.446 1328 F N 1.079 120.965 119.950 -0.107 0.000 2.111 1328 F HA -0.314 4.213 4.527 -0.000 0.000 0.300 1328 F C 2.460 178.210 175.800 -0.083 0.000 1.088 1328 F CA 1.717 59.652 58.000 -0.107 0.000 1.243 1328 F CB -1.255 37.684 39.000 -0.102 0.000 0.996 1328 F HN 0.113 nan 8.300 nan 0.000 0.483 1329 A N -0.334 122.565 122.820 0.131 0.000 1.892 1329 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 1329 A C 2.167 179.761 177.584 0.016 0.000 1.188 1329 A CA 1.903 53.973 52.037 0.054 0.000 0.631 1329 A CB -1.180 17.840 19.000 0.032 0.000 0.822 1329 A HN 0.357 nan 8.150 nan 0.000 0.447 1330 L N 0.427 121.645 121.223 -0.008 0.000 2.005 1330 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 1330 L C 1.907 178.760 176.870 -0.028 0.000 1.072 1330 L CA 2.582 57.406 54.840 -0.027 0.000 0.744 1330 L CB -0.980 41.048 42.059 -0.051 0.000 0.895 1330 L HN 0.439 nan 8.230 nan 0.000 0.433 1331 N N -0.409 118.271 118.700 -0.034 0.000 2.060 1331 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 1331 N C 1.850 177.347 175.510 -0.020 0.000 1.028 1331 N CA 1.910 54.939 53.050 -0.036 0.000 0.861 1331 N CB -0.263 38.201 38.487 -0.037 0.000 1.029 1331 N HN 0.312 nan 8.380 nan 0.000 0.428 1332 R N 0.448 120.947 120.500 -0.002 0.000 2.088 1332 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 1332 R C 1.272 177.563 176.300 -0.015 0.000 1.136 1332 R CA 1.642 57.736 56.100 -0.010 0.000 0.926 1332 R CB -0.532 29.766 30.300 -0.003 0.000 0.837 1332 R HN 0.282 nan 8.270 nan 0.000 0.429 1333 D N 0.009 120.402 120.400 -0.012 0.000 2.239 1333 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 1333 D C 1.597 177.887 176.300 -0.017 0.000 0.993 1333 D CA 1.022 55.014 54.000 -0.013 0.000 0.874 1333 D CB -0.008 40.785 40.800 -0.013 0.000 0.922 1333 D HN 0.079 nan 8.370 nan 0.000 0.464 1334 V N -1.062 118.840 119.914 -0.021 0.000 3.650 1334 V HA 0.231 4.351 4.120 -0.000 0.000 0.271 1334 V C 1.587 177.667 176.094 -0.023 0.000 1.281 1334 V CA 0.804 63.090 62.300 -0.022 0.000 1.120 1334 V CB 0.400 32.206 31.823 -0.029 0.000 0.856 1334 V HN 0.376 nan 8.190 nan 0.000 0.443 1335 G N 0.929 109.714 108.800 -0.024 0.000 2.131 1335 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 1335 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 1335 G C 0.006 174.888 174.900 -0.031 0.000 0.990 1335 G CA -0.050 45.035 45.100 -0.025 0.000 0.671 1335 G HN 0.461 nan 8.290 nan 0.000 0.521 1336 I N 2.777 123.325 120.570 -0.037 0.000 2.342 1336 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 1336 I C -1.308 174.775 176.117 -0.055 0.000 1.010 1336 I CA -2.253 59.020 61.300 -0.045 0.000 1.308 1336 I CB 1.129 39.099 38.000 -0.051 0.000 1.400 1336 I HN -0.059 nan 8.210 nan 0.000 0.488 1337 P HA 0.038 nan 4.420 nan 0.000 0.265 1337 P C -2.151 175.074 177.300 -0.125 0.000 1.193 1337 P CA -0.990 62.058 63.100 -0.087 0.000 0.765 1337 P CB 0.255 31.911 31.700 -0.075 0.000 0.823 1338 P HA -0.101 nan 4.420 nan 0.000 0.219 1338 P C -0.103 176.956 177.300 -0.401 0.000 1.150 1338 P CA 1.403 64.292 63.100 -0.351 0.000 0.814 1338 P CB 0.087 31.439 31.700 -0.579 0.000 0.787 1339 H N -1.601 117.444 119.070 -0.041 0.000 2.569 1339 H HA 0.331 4.887 4.556 -0.000 0.000 0.357 1339 H C 1.275 176.481 175.328 -0.203 0.000 1.153 1339 H CA -0.884 55.097 56.048 -0.112 0.000 1.193 1339 H CB 1.568 31.198 29.762 -0.220 0.000 1.602 1339 H HN -0.264 nan 8.280 nan 0.000 0.523 1340 L N 1.043 122.209 121.223 -0.094 0.000 2.362 1340 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 1340 L C 2.575 179.193 176.870 -0.419 0.000 1.134 1340 L CA 0.979 55.717 54.840 -0.171 0.000 0.807 1340 L CB -0.283 41.755 42.059 -0.035 0.000 0.927 1340 L HN 0.656 nan 8.230 nan 0.000 0.447 1341 R N -0.113 119.910 120.500 -0.795 0.000 2.115 1341 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 1341 R C 1.272 177.277 176.300 -0.492 0.000 1.111 1341 R CA 1.538 56.988 56.100 -1.084 0.000 0.976 1341 R CB -0.454 28.728 30.300 -1.864 0.000 0.870 1341 R HN 0.318 nan 8.270 nan 0.000 0.445 1342 D N 1.405 121.618 120.400 -0.311 0.000 2.219 1342 D HA -0.085 4.554 4.640 -0.000 0.000 0.205 1342 D C 1.559 177.773 176.300 -0.144 0.000 0.970 1342 D CA 1.613 55.511 54.000 -0.170 0.000 0.851 1342 D CB 0.314 41.058 40.800 -0.093 0.000 0.943 1342 D HN 0.348 nan 8.370 nan 0.000 0.488 1343 V N -2.787 117.028 119.914 -0.165 0.000 3.170 1343 V HA 0.535 4.654 4.120 -0.000 0.000 0.354 1343 V C 1.221 177.211 176.094 -0.173 0.000 1.350 1343 V CA 0.249 62.474 62.300 -0.125 0.000 1.244 1343 V CB -0.082 31.686 31.823 -0.090 0.000 1.222 1343 V HN 0.172 nan 8.190 nan 0.000 0.478 1344 G N 0.056 108.730 108.800 -0.209 0.000 2.155 1344 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 1344 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 1344 G C 0.142 174.738 174.900 -0.508 0.000 0.983 1344 G CA 0.191 45.148 45.100 -0.237 0.000 0.676 1344 G HN 0.854 nan 8.290 nan 0.000 0.528 1345 V N 0.984 120.573 119.914 -0.540 0.000 2.655 1345 V HA 0.332 4.452 4.120 -0.000 0.000 0.300 1345 V C 1.256 177.292 176.094 -0.097 0.000 1.044 1345 V CA 0.178 62.068 62.300 -0.683 0.000 1.095 1345 V CB 0.858 32.523 31.823 -0.263 0.000 0.952 1345 V HN 0.474 nan 8.190 nan 0.000 0.485 1346 R N 3.424 123.888 120.500 -0.061 0.000 2.573 1346 R HA 0.429 4.769 4.340 -0.000 0.000 0.272 1346 R C 0.553 176.868 176.300 0.025 0.000 1.009 1346 R CA -0.737 55.454 56.100 0.152 0.000 1.059 1346 R CB 1.231 31.658 30.300 0.211 0.000 1.112 1346 R HN 0.527 nan 8.270 nan 0.000 0.517 1347 K N 1.125 121.443 120.400 -0.136 0.000 2.374 1347 K HA -0.033 4.287 4.320 -0.000 0.000 0.196 1347 K C 0.790 177.288 176.600 -0.170 0.000 1.023 1347 K CA 0.384 56.465 56.287 -0.343 0.000 1.103 1347 K CB 0.572 32.734 32.500 -0.563 0.000 0.848 1347 K HN 0.614 nan 8.250 nan 0.000 0.528 1348 E N -0.015 120.145 120.200 -0.066 0.000 2.318 1348 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 1348 E C 0.531 177.127 176.600 -0.007 0.000 0.998 1348 E CA 0.647 57.034 56.400 -0.021 0.000 0.859 1348 E CB 0.198 29.908 29.700 0.017 0.000 0.812 1348 E HN 0.062 nan 8.360 nan 0.000 0.492 1349 D N 0.879 121.279 120.400 0.000 0.000 2.346 1349 D HA 0.120 4.760 4.640 -0.000 0.000 0.206 1349 D C 1.839 178.035 176.300 -0.173 0.000 1.001 1349 D CA 0.050 54.051 54.000 0.001 0.000 0.871 1349 D CB 0.106 40.995 40.800 0.149 0.000 0.943 1349 D HN 0.178 nan 8.370 nan 0.000 0.518 1350 I N 2.249 122.670 120.570 -0.248 0.000 2.143 1350 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 1350 I C -0.552 175.424 176.117 -0.234 0.000 1.068 1350 I CA 1.470 62.542 61.300 -0.379 0.000 1.326 1350 I CB -1.193 36.539 38.000 -0.446 0.000 1.028 1350 I HN 0.074 nan 8.210 nan 0.000 0.412 1351 P HA -0.206 nan 4.420 nan 0.000 0.216 1351 P C 1.376 178.649 177.300 -0.046 0.000 1.150 1351 P CA 2.181 65.258 63.100 -0.037 0.000 0.837 1351 P CB -0.054 31.644 31.700 -0.003 0.000 0.786 1352 A N 0.479 123.258 122.820 -0.068 0.000 1.858 1352 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 1352 A C 2.485 179.979 177.584 -0.150 0.000 1.190 1352 A CA 1.584 53.606 52.037 -0.025 0.000 0.617 1352 A CB -1.611 17.457 19.000 0.115 0.000 0.827 1352 A HN 0.098 nan 8.150 nan 0.000 0.443 1353 L N -0.548 120.406 121.223 -0.448 0.000 1.990 1353 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 1353 L C 3.106 179.932 176.870 -0.072 0.000 1.072 1353 L CA 1.386 55.904 54.840 -0.537 0.000 0.755 1353 L CB -0.982 40.449 42.059 -1.046 0.000 0.889 1353 L HN 0.435 nan 8.230 nan 0.000 0.432 1354 A N -0.160 122.679 122.820 0.031 0.000 1.903 1354 A HA -0.355 3.965 4.320 -0.000 0.000 0.219 1354 A C 2.245 179.891 177.584 0.104 0.000 1.191 1354 A CA 2.436 54.597 52.037 0.208 0.000 0.638 1354 A CB -0.711 18.373 19.000 0.139 0.000 0.823 1354 A HN 0.473 nan 8.150 nan 0.000 0.451 1355 Q N -0.405 119.428 119.800 0.054 0.000 2.020 1355 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 1355 Q C 2.147 178.189 176.000 0.071 0.000 0.982 1355 Q CA 2.430 58.267 55.803 0.055 0.000 0.838 1355 Q CB -0.745 28.023 28.738 0.049 0.000 0.899 1355 Q HN 0.576 nan 8.270 nan 0.000 0.423 1356 A N 0.480 123.344 122.820 0.073 0.000 1.903 1356 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 1356 A C 2.325 179.981 177.584 0.119 0.000 1.191 1356 A CA 2.547 54.647 52.037 0.105 0.000 0.638 1356 A CB -1.427 17.634 19.000 0.102 0.000 0.823 1356 A HN 0.570 nan 8.150 nan 0.000 0.451 1357 A N -0.953 121.943 122.820 0.126 0.000 1.902 1357 A HA -0.026 4.293 4.320 -0.000 0.000 0.217 1357 A C 2.116 179.746 177.584 0.077 0.000 1.181 1357 A CA 1.719 53.824 52.037 0.114 0.000 0.623 1357 A CB -0.638 18.422 19.000 0.101 0.000 0.818 1357 A HN 0.668 nan 8.150 nan 0.000 0.443 1358 L N 0.144 121.406 121.223 0.065 0.000 2.079 1358 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1358 L C 1.325 178.230 176.870 0.059 0.000 1.081 1358 L CA 2.354 57.223 54.840 0.048 0.000 0.752 1358 L CB -0.467 41.617 42.059 0.043 0.000 0.896 1358 L HN 0.388 nan 8.230 nan 0.000 0.433 1359 D N -1.180 119.264 120.400 0.073 0.000 2.305 1359 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 1359 D C 0.433 176.789 176.300 0.094 0.000 0.974 1359 D CA 0.226 54.271 54.000 0.076 0.000 0.871 1359 D CB -0.187 40.659 40.800 0.076 0.000 0.947 1359 D HN 0.423 nan 8.370 nan 0.000 0.516 1360 D N 0.480 120.951 120.400 0.118 0.000 2.533 1360 D HA -0.066 4.574 4.640 -0.000 0.000 0.236 1360 D C 1.913 178.292 176.300 0.133 0.000 1.137 1360 D CA -0.044 54.048 54.000 0.154 0.000 0.867 1360 D CB 1.341 42.264 40.800 0.205 0.000 1.170 1360 D HN -0.130 nan 8.370 nan 0.000 0.474 1361 V N 1.987 121.982 119.914 0.135 0.000 2.332 1361 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 1361 V C 2.262 178.421 176.094 0.108 0.000 1.055 1361 V CA 1.527 63.891 62.300 0.106 0.000 1.038 1361 V CB -1.166 30.712 31.823 0.091 0.000 0.651 1361 V HN 0.786 nan 8.190 nan 0.000 0.450 1362 C N 0.960 120.348 119.300 0.147 0.000 2.401 1362 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 1362 C C 3.015 178.058 174.990 0.088 0.000 1.233 1362 C CA 1.808 60.904 59.018 0.129 0.000 1.753 1362 C CB -1.792 26.056 27.740 0.181 0.000 2.029 1362 C HN 0.743 nan 8.230 nan 0.000 0.478 1363 T N 0.940 115.546 114.554 0.087 0.000 2.620 1363 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1363 T C 2.010 176.737 174.700 0.044 0.000 1.044 1363 T CA 2.135 64.268 62.100 0.055 0.000 1.161 1363 T CB -0.991 67.907 68.868 0.051 0.000 0.862 1363 T HN 0.704 nan 8.240 nan 0.000 0.438 1364 G N 0.754 109.583 108.800 0.048 0.000 2.581 1364 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.223 1364 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.223 1364 G C 1.515 176.436 174.900 0.035 0.000 1.094 1364 G CA 1.083 46.206 45.100 0.039 0.000 0.736 1364 G HN 0.640 nan 8.290 nan 0.000 0.588 1365 G N -0.185 108.640 108.800 0.041 0.000 2.712 1365 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.212 1365 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.212 1365 G C 0.706 175.624 174.900 0.030 0.000 1.142 1365 G CA -0.063 45.062 45.100 0.041 0.000 0.789 1365 G HN 0.458 nan 8.290 nan 0.000 0.535 1366 N N 1.408 120.122 118.700 0.023 0.000 2.357 1366 N HA 0.070 4.810 4.740 -0.000 0.000 0.257 1366 N C -0.589 174.913 175.510 -0.012 0.000 1.250 1366 N CA -1.157 51.902 53.050 0.015 0.000 0.862 1366 N CB 1.435 39.937 38.487 0.026 0.000 1.066 1366 N HN -0.052 nan 8.380 nan 0.000 0.468 1367 P HA -0.184 nan 4.420 nan 0.000 0.219 1367 P C -0.278 176.924 177.300 -0.164 0.000 1.146 1367 P CA 1.196 64.278 63.100 -0.030 0.000 0.808 1367 P CB 0.270 31.984 31.700 0.024 0.000 0.779 1368 R N 0.758 121.073 120.500 -0.308 0.000 2.360 1368 R HA 0.217 4.557 4.340 -0.000 0.000 0.318 1368 R C -0.195 175.927 176.300 -0.297 0.000 0.950 1368 R CA -0.566 55.137 56.100 -0.663 0.000 0.837 1368 R CB 0.923 30.478 30.300 -1.241 0.000 1.165 1368 R HN -0.089 nan 8.270 nan 0.000 0.458 1369 E N 2.162 122.230 120.200 -0.221 0.000 2.481 1369 E HA 0.030 4.379 4.350 -0.000 0.000 0.263 1369 E C -0.944 175.664 176.600 0.014 0.000 0.992 1369 E CA 0.568 56.926 56.400 -0.070 0.000 0.938 1369 E CB 0.802 30.474 29.700 -0.047 0.000 0.933 1369 E HN 0.618 nan 8.360 nan 0.000 0.453 1370 A N 3.331 126.190 122.820 0.065 0.000 2.355 1370 A HA 0.486 4.806 4.320 -0.000 0.000 0.317 1370 A C -0.477 177.134 177.584 0.045 0.000 1.094 1370 A CA -0.634 51.469 52.037 0.109 0.000 0.764 1370 A CB 1.831 20.855 19.000 0.040 0.000 1.230 1370 A HN 0.508 nan 8.150 nan 0.000 0.448 1371 T N 2.225 116.808 114.554 0.048 0.000 2.929 1371 T HA 0.324 4.674 4.350 -0.000 0.000 0.284 1371 T C 1.566 176.273 174.700 0.011 0.000 1.014 1371 T CA -0.320 61.799 62.100 0.031 0.000 1.051 1371 T CB 1.235 70.129 68.868 0.042 0.000 1.028 1371 T HN 0.723 nan 8.240 nan 0.000 0.485 1372 L N 2.723 123.957 121.223 0.018 0.000 2.054 1372 L HA -0.249 4.091 4.340 -0.000 0.000 0.220 1372 L C 2.107 178.990 176.870 0.022 0.000 1.081 1372 L CA 2.168 57.022 54.840 0.023 0.000 0.780 1372 L CB -0.611 41.466 42.059 0.030 0.000 0.893 1372 L HN 0.732 nan 8.230 nan 0.000 0.438 1373 E N -0.450 119.765 120.200 0.026 0.000 2.077 1373 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 1373 E C 1.871 178.482 176.600 0.018 0.000 0.989 1373 E CA 1.528 57.947 56.400 0.031 0.000 0.800 1373 E CB -0.357 29.362 29.700 0.033 0.000 0.746 1373 E HN 0.620 nan 8.360 nan 0.000 0.452 1374 D N 0.183 120.584 120.400 0.001 0.000 2.117 1374 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 1374 D C 1.717 177.900 176.300 -0.194 0.000 0.987 1374 D CA 0.960 54.931 54.000 -0.049 0.000 0.829 1374 D CB -0.028 40.770 40.800 -0.002 0.000 0.961 1374 D HN 0.158 nan 8.370 nan 0.000 0.460 1375 I N -0.052 120.417 120.570 -0.168 0.000 2.286 1375 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 1375 I C 2.167 178.241 176.117 -0.072 0.000 1.104 1375 I CA 0.461 61.634 61.300 -0.211 0.000 1.397 1375 I CB -0.200 37.721 38.000 -0.132 0.000 1.072 1375 I HN -0.054 nan 8.210 nan 0.000 0.417 1376 V N 0.786 120.731 119.914 0.053 0.000 2.252 1376 V HA -0.297 3.822 4.120 -0.000 0.000 0.249 1376 V C 2.524 178.731 176.094 0.189 0.000 1.056 1376 V CA 1.879 64.273 62.300 0.157 0.000 1.022 1376 V CB -0.720 31.188 31.823 0.141 0.000 0.641 1376 V HN 0.420 nan 8.190 nan 0.000 0.445 1377 E N -0.143 120.116 120.200 0.099 0.000 2.086 1377 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 1377 E C 2.226 178.859 176.600 0.057 0.000 1.012 1377 E CA 1.762 58.211 56.400 0.081 0.000 0.812 1377 E CB -0.373 29.343 29.700 0.027 0.000 0.743 1377 E HN 0.523 nan 8.360 nan 0.000 0.453 1378 L N -0.295 120.886 121.223 -0.069 0.000 1.976 1378 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 1378 L C 2.592 179.402 176.870 -0.100 0.000 1.071 1378 L CA 1.367 56.118 54.840 -0.148 0.000 0.746 1378 L CB -0.558 41.300 42.059 -0.336 0.000 0.890 1378 L HN 0.131 nan 8.230 nan 0.000 0.432 1379 Y N -0.376 119.873 120.300 -0.084 0.000 2.151 1379 Y HA -0.331 4.219 4.550 -0.000 0.000 0.284 1379 Y C 2.635 178.491 175.900 -0.073 0.000 1.166 1379 Y CA 1.838 59.878 58.100 -0.099 0.000 1.163 1379 Y CB -0.779 37.587 38.460 -0.157 0.000 0.974 1379 Y HN 0.261 nan 8.280 nan 0.000 0.511 1380 H N -1.353 117.796 119.070 0.132 0.000 2.276 1380 H HA -0.123 4.433 4.556 -0.000 0.000 0.301 1380 H C 2.210 177.586 175.328 0.079 0.000 1.073 1380 H CA 2.233 58.324 56.048 0.071 0.000 1.311 1380 H CB -0.396 29.363 29.762 -0.004 0.000 1.379 1380 H HN 0.310 nan 8.280 nan 0.000 0.494 1381 T N -1.926 112.711 114.554 0.139 0.000 3.155 1381 T HA 0.094 4.444 4.350 -0.000 0.000 0.264 1381 T C 1.560 176.132 174.700 -0.215 0.000 1.160 1381 T CA 0.625 62.742 62.100 0.029 0.000 1.075 1381 T CB -0.050 68.840 68.868 0.036 0.000 0.921 1381 T HN 0.393 nan 8.240 nan 0.000 0.533 1382 A N -0.824 121.883 122.820 -0.188 0.000 2.259 1382 A HA 0.452 4.772 4.320 -0.000 0.000 0.213 1382 A C 0.649 178.271 177.584 0.063 0.000 1.209 1382 A CA -0.774 51.054 52.037 -0.347 0.000 0.910 1382 A CB -0.339 18.516 19.000 -0.241 0.000 0.946 1382 A HN 0.608 nan 8.150 nan 0.000 0.497 1383 W N 0.000 121.284 121.300 -0.027 0.000 2.388 1383 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 1383 W CA 0.000 57.348 57.345 0.005 0.000 1.226 1383 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 1383 W HN 0.000 nan 8.180 nan 0.000 0.535