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 2bvt_1_B DATA FIRST_RESID 5 DATA SEQUENCE TIAIVDADAT AETRSLLSYL DGVRGEGILF GHQHTTSFGL TTGPTDGTTS DATA SEQUENCE DVKNVTGDFP AVFGWDTLII EGNERPGLAE NTRDENIALF ADYIRKADAI DATA SEQUENCE GGVNTVSAHV ENFVTGGSFY DTSGDTLRAV LPGGSHHAEL VAYLDDIAEL DATA SEQUENCE ADASRRDDGT LIPIVFRPWH ENAGSWFWWG AAYGSPGEYQ ELYRFTVEYL DATA SEQUENCE RDVKGVSNFL YAWGPGGGFG GNRDVYLRTY PGDAFVDVLG LDTYDSTGSD DATA SEQUENCE AFLAGLVADL RMIAEIADEK GKVSAFTEFG VSGGVGTNGS SPAQWFTKVL DATA SEQUENCE AAIKADPVAS RNAYMETWAN FDAGQHFVPV PGDALLEDFQ AYAADPFTLF DATA SEQUENCE ASEVTGAFDR TVAAAPAQPV VHIASPADGA RVASAPTTVR VRVGGTDVQS DATA SEQUENCE VTVEVAQXXX VVDTLDLAYD GALWWTAPWS PXXXXXXXXX YTVTATATTA DATA SEQUENCE AGTLDVTNEV AAAL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.724 174.700 0.039 0.000 1.109 5 T CA 0.000 62.120 62.100 0.034 0.000 1.349 5 T CB 0.000 68.885 68.868 0.028 0.000 0.612 6 I N 0.025 120.623 120.570 0.047 0.000 3.002 6 I HA 0.982 5.151 4.170 -0.001 0.000 0.310 6 I C -0.401 175.750 176.117 0.057 0.000 1.087 6 I CA -1.640 59.693 61.300 0.055 0.000 1.017 6 I CB 1.414 39.454 38.000 0.067 0.000 1.226 6 I HN 0.729 nan 8.210 nan 0.000 0.443 7 A N 5.582 128.440 122.820 0.062 0.000 2.310 7 A HA 0.637 4.957 4.320 -0.001 0.000 0.300 7 A C -0.367 177.267 177.584 0.083 0.000 1.269 7 A CA -0.359 51.715 52.037 0.062 0.000 0.909 7 A CB -0.180 18.855 19.000 0.059 0.000 1.144 7 A HN 0.775 nan 8.150 nan 0.000 0.540 8 I N 3.871 124.489 120.570 0.081 0.000 2.499 8 I HA 0.273 4.443 4.170 -0.001 0.000 0.288 8 I C 0.699 176.876 176.117 0.101 0.000 1.048 8 I CA -0.784 60.584 61.300 0.113 0.000 1.062 8 I CB 2.018 40.091 38.000 0.121 0.000 1.238 8 I HN 0.383 nan 8.210 nan 0.000 0.426 9 V N 4.708 124.703 119.914 0.135 0.000 2.313 9 V HA -0.252 3.867 4.120 -0.001 0.000 0.253 9 V C 0.730 176.865 176.094 0.068 0.000 1.070 9 V CA 2.118 64.467 62.300 0.082 0.000 1.057 9 V CB -0.710 31.213 31.823 0.167 0.000 0.653 9 V HN 0.824 nan 8.190 nan 0.000 0.450 10 D N -0.887 119.604 120.400 0.151 0.000 2.467 10 D HA 0.482 5.122 4.640 -0.001 0.000 0.220 10 D C 0.887 177.233 176.300 0.076 0.000 1.103 10 D CA 0.372 54.441 54.000 0.116 0.000 0.886 10 D CB 1.196 42.108 40.800 0.186 0.000 1.025 10 D HN 0.161 nan 8.370 nan 0.000 0.514 11 A N 3.585 126.428 122.820 0.038 0.000 2.131 11 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 11 A C 1.188 178.788 177.584 0.028 0.000 1.158 11 A CA 1.034 53.088 52.037 0.029 0.000 0.665 11 A CB 0.026 19.031 19.000 0.009 0.000 0.795 11 A HN 0.519 nan 8.150 nan 0.000 0.460 12 D N -0.358 120.057 120.400 0.026 0.000 2.463 12 D HA 0.415 5.054 4.640 -0.001 0.000 0.224 12 D C 0.654 176.967 176.300 0.021 0.000 1.174 12 D CA 0.483 54.492 54.000 0.015 0.000 0.829 12 D CB 0.028 40.828 40.800 -0.001 0.000 0.993 12 D HN 0.435 nan 8.370 nan 0.000 0.497 13 A N 0.874 123.721 122.820 0.045 0.000 2.475 13 A HA 0.319 4.638 4.320 -0.001 0.000 0.239 13 A C 1.152 178.758 177.584 0.037 0.000 1.087 13 A CA -0.065 52.004 52.037 0.054 0.000 0.779 13 A CB 0.054 19.109 19.000 0.091 0.000 1.036 13 A HN 0.225 nan 8.150 nan 0.000 0.506 14 T N -1.713 112.859 114.554 0.030 0.000 2.766 14 T HA 0.448 4.797 4.350 -0.001 0.000 0.295 14 T C 1.367 176.091 174.700 0.041 0.000 1.024 14 T CA 0.143 62.254 62.100 0.019 0.000 1.018 14 T CB 0.766 69.632 68.868 -0.002 0.000 1.002 14 T HN 1.425 nan 8.240 nan 0.000 0.532 15 A N 1.188 124.028 122.820 0.034 0.000 1.883 15 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 15 A C 2.200 179.834 177.584 0.084 0.000 1.186 15 A CA 2.022 54.090 52.037 0.050 0.000 0.624 15 A CB -1.219 17.803 19.000 0.037 0.000 0.822 15 A HN 0.934 nan 8.150 nan 0.000 0.444 16 E N -0.307 119.946 120.200 0.087 0.000 2.110 16 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 16 E C 2.099 178.840 176.600 0.234 0.000 0.988 16 E CA 1.667 58.170 56.400 0.173 0.000 0.804 16 E CB -0.782 28.960 29.700 0.069 0.000 0.745 16 E HN 0.639 nan 8.360 nan 0.000 0.458 17 T N 0.664 115.308 114.554 0.149 0.000 2.622 17 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 17 T C 1.840 176.636 174.700 0.160 0.000 1.047 17 T CA 1.490 63.686 62.100 0.161 0.000 1.159 17 T CB -0.255 68.684 68.868 0.118 0.000 0.863 17 T HN 0.098 nan 8.240 nan 0.000 0.422 18 R N 0.755 121.330 120.500 0.126 0.000 2.127 18 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 18 R C 2.932 179.303 176.300 0.119 0.000 1.134 18 R CA 1.313 57.481 56.100 0.114 0.000 0.975 18 R CB -0.450 29.903 30.300 0.089 0.000 0.865 18 R HN 0.288 nan 8.270 nan 0.000 0.447 19 S N 0.816 116.593 115.700 0.128 0.000 2.356 19 S HA -0.136 4.333 4.470 -0.001 0.000 0.223 19 S C 1.857 176.523 174.600 0.111 0.000 1.032 19 S CA 1.108 59.378 58.200 0.116 0.000 1.005 19 S CB -0.150 63.128 63.200 0.130 0.000 0.867 19 S HN 0.241 nan 8.310 nan 0.000 0.449 20 L N 1.550 122.852 121.223 0.132 0.000 2.046 20 L HA 0.073 4.412 4.340 -0.001 0.000 0.208 20 L C 2.233 179.199 176.870 0.162 0.000 1.077 20 L CA 1.645 56.544 54.840 0.099 0.000 0.747 20 L CB -0.649 41.514 42.059 0.173 0.000 0.896 20 L HN 0.418 nan 8.230 nan 0.000 0.432 21 L N -1.270 120.049 121.223 0.159 0.000 2.083 21 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 21 L C 2.663 179.615 176.870 0.136 0.000 1.083 21 L CA 1.673 56.607 54.840 0.157 0.000 0.752 21 L CB -0.318 41.832 42.059 0.151 0.000 0.899 21 L HN 0.545 nan 8.230 nan 0.000 0.433 22 S N -1.155 114.620 115.700 0.125 0.000 2.368 22 S HA -0.279 4.191 4.470 -0.001 0.000 0.224 22 S C 2.016 176.678 174.600 0.103 0.000 1.029 22 S CA 1.264 59.525 58.200 0.102 0.000 0.988 22 S CB -0.448 62.809 63.200 0.095 0.000 0.838 22 S HN 0.555 nan 8.310 nan 0.000 0.462 23 Y N 1.909 122.206 120.300 -0.004 0.000 2.133 23 Y HA 0.044 4.593 4.550 -0.001 0.000 0.287 23 Y C 2.029 177.929 175.900 -0.000 0.000 1.134 23 Y CA 1.775 59.856 58.100 -0.032 0.000 1.133 23 Y CB -0.536 37.857 38.460 -0.112 0.000 0.987 23 Y HN 0.233 nan 8.280 nan 0.000 0.502 24 L N 0.198 121.502 121.223 0.136 0.000 2.129 24 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 24 L C 1.995 178.878 176.870 0.020 0.000 1.087 24 L CA 1.955 56.852 54.840 0.094 0.000 0.757 24 L CB -0.551 41.635 42.059 0.213 0.000 0.896 24 L HN 0.332 nan 8.230 nan 0.000 0.434 25 D N -0.402 120.013 120.400 0.025 0.000 2.183 25 D HA -0.076 4.564 4.640 -0.001 0.000 0.205 25 D C 2.120 178.400 176.300 -0.034 0.000 0.962 25 D CA 1.067 55.078 54.000 0.019 0.000 0.849 25 D CB 0.080 40.908 40.800 0.047 0.000 0.978 25 D HN 0.140 nan 8.370 nan 0.000 0.488 26 G N -0.064 108.689 108.800 -0.078 0.000 2.448 26 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.218 26 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.218 26 G C 1.684 176.487 174.900 -0.162 0.000 1.135 26 G CA 0.530 45.570 45.100 -0.100 0.000 0.784 26 G HN 0.285 nan 8.290 nan 0.000 0.543 27 V N 0.822 120.569 119.914 -0.278 0.000 2.667 27 V HA 0.053 4.173 4.120 -0.001 0.000 0.252 27 V C 1.503 177.519 176.094 -0.130 0.000 1.065 27 V CA 0.351 62.474 62.300 -0.293 0.000 1.083 27 V CB -0.357 31.185 31.823 -0.468 0.000 0.692 27 V HN 0.315 nan 8.190 nan 0.000 0.468 28 R N 0.233 120.690 120.500 -0.071 0.000 2.494 28 R HA 0.173 4.512 4.340 -0.001 0.000 0.291 28 R C 1.408 177.724 176.300 0.027 0.000 0.953 28 R CA 0.875 56.971 56.100 -0.006 0.000 1.098 28 R CB -0.439 29.867 30.300 0.010 0.000 0.911 28 R HN 0.511 nan 8.270 nan 0.000 0.407 29 G N 2.348 111.205 108.800 0.097 0.000 2.284 29 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.247 29 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.247 29 G C 0.832 175.869 174.900 0.228 0.000 1.012 29 G CA 0.212 45.407 45.100 0.158 0.000 0.618 29 G HN 0.585 nan 8.290 nan 0.000 0.521 30 E N 0.673 120.946 120.200 0.122 0.000 2.216 30 E HA 0.376 4.726 4.350 -0.001 0.000 0.192 30 E C 1.341 177.983 176.600 0.070 0.000 0.973 30 E CA 1.280 57.745 56.400 0.109 0.000 0.851 30 E CB 0.506 30.209 29.700 0.006 0.000 0.804 30 E HN 1.356 nan 8.360 nan 0.000 0.477 31 G N 0.601 109.284 108.800 -0.195 0.000 2.633 31 G HA2 0.419 4.378 3.960 -0.001 0.000 0.299 31 G HA3 0.419 4.378 3.960 -0.001 0.000 0.299 31 G C -1.653 172.889 174.900 -0.597 0.000 1.501 31 G CA -0.748 43.971 45.100 -0.636 0.000 0.887 31 G HN 0.041 nan 8.290 nan 0.000 0.561 32 I N 2.165 122.239 120.570 -0.826 0.000 2.354 32 I HA 0.466 4.636 4.170 -0.001 0.000 0.292 32 I C -0.013 176.029 176.117 -0.125 0.000 0.989 32 I CA -1.185 59.914 61.300 -0.335 0.000 1.188 32 I CB 1.002 38.856 38.000 -0.243 0.000 1.342 32 I HN 0.309 nan 8.210 nan 0.000 0.457 33 L N 7.442 128.687 121.223 0.037 0.000 2.367 33 L HA 0.206 4.546 4.340 -0.001 0.000 0.275 33 L C -0.356 176.594 176.870 0.133 0.000 1.129 33 L CA -0.238 54.655 54.840 0.088 0.000 0.839 33 L CB 0.359 42.493 42.059 0.125 0.000 1.133 33 L HN 0.517 nan 8.230 nan 0.000 0.453 34 F N 2.517 122.385 119.950 -0.137 0.000 2.410 34 F HA 0.619 5.146 4.527 -0.001 0.000 0.348 34 F C 0.530 176.263 175.800 -0.110 0.000 1.106 34 F CA -0.521 57.410 58.000 -0.114 0.000 1.163 34 F CB 1.200 39.964 39.000 -0.394 0.000 1.129 34 F HN 0.379 nan 8.300 nan 0.000 0.516 35 G N 4.281 112.635 108.800 -0.742 0.000 2.453 35 G HA2 0.392 4.352 3.960 -0.001 0.000 0.323 35 G HA3 0.392 4.352 3.960 -0.001 0.000 0.323 35 G C -2.108 172.250 174.900 -0.903 0.000 1.198 35 G CA -0.647 44.059 45.100 -0.656 0.000 0.959 35 G HN 0.894 nan 8.290 nan 0.000 0.482 36 H N 0.753 119.361 119.070 -0.770 0.000 3.018 36 H HA 0.311 4.866 4.556 -0.001 0.000 0.334 36 H C -0.749 174.207 175.328 -0.620 0.000 0.983 36 H CA -0.733 54.934 56.048 -0.636 0.000 1.363 36 H CB 1.998 31.451 29.762 -0.515 0.000 1.668 36 H HN 0.464 nan 8.280 nan 0.000 0.513 37 Q N 3.850 123.267 119.800 -0.638 0.000 2.274 37 Q HA -0.010 4.330 4.340 -0.001 0.000 0.280 37 Q C -0.029 175.417 176.000 -0.925 0.000 1.047 37 Q CA 0.616 55.840 55.803 -0.964 0.000 0.907 37 Q CB -0.075 27.783 28.738 -1.466 0.000 1.171 37 Q HN 0.771 nan 8.270 nan 0.000 0.381 38 H N 2.225 120.794 119.070 -0.835 0.000 2.820 38 H HA -0.196 4.360 4.556 -0.001 0.000 0.295 38 H C 0.810 175.855 175.328 -0.471 0.000 1.187 38 H CA 1.141 56.922 56.048 -0.446 0.000 1.144 38 H CB -1.570 28.152 29.762 -0.066 0.000 1.354 38 H HN 0.794 nan 8.280 nan 0.000 0.395 39 T N -0.325 113.826 114.554 -0.671 0.000 2.869 39 T HA -0.127 4.223 4.350 -0.001 0.000 0.270 39 T C 1.838 176.481 174.700 -0.096 0.000 1.082 39 T CA 2.135 63.893 62.100 -0.569 0.000 1.123 39 T CB -0.056 68.426 68.868 -0.643 0.000 0.856 39 T HN 0.730 nan 8.240 nan 0.000 0.499 40 T N -2.032 112.610 114.554 0.146 0.000 3.145 40 T HA 0.311 4.660 4.350 -0.001 0.000 0.281 40 T C 1.396 176.302 174.700 0.343 0.000 1.003 40 T CA 0.418 62.688 62.100 0.284 0.000 0.901 40 T CB 0.245 69.339 68.868 0.376 0.000 1.112 40 T HN 0.314 nan 8.240 nan 0.000 0.535 41 S N -0.331 115.578 115.700 0.348 0.000 2.604 41 S HA 0.482 4.951 4.470 -0.001 0.000 0.235 41 S C -0.350 174.135 174.600 -0.192 0.000 1.043 41 S CA -0.534 57.786 58.200 0.200 0.000 0.997 41 S CB -0.017 63.332 63.200 0.248 0.000 0.956 41 S HN 0.283 nan 8.310 nan 0.000 0.535 42 F N 1.373 121.358 119.950 0.058 0.000 2.562 42 F HA 0.781 5.307 4.527 -0.000 0.000 0.319 42 F C 0.435 176.227 175.800 -0.014 0.000 1.154 42 F CA -0.457 57.541 58.000 -0.002 0.000 0.931 42 F CB 1.956 40.915 39.000 -0.069 0.000 1.198 42 F HN 0.275 nan 8.300 nan 0.000 0.444 43 G N 2.657 111.591 108.800 0.224 0.000 2.684 43 G HA2 0.570 4.529 3.960 -0.001 0.000 0.290 43 G HA3 0.570 4.529 3.960 -0.001 0.000 0.290 43 G C -0.685 174.257 174.900 0.070 0.000 1.425 43 G CA -0.730 44.440 45.100 0.117 0.000 0.822 43 G HN 0.546 nan 8.290 nan 0.000 0.482 44 L N -0.427 120.799 121.223 0.005 0.000 2.717 44 L HA 0.201 4.540 4.340 -0.001 0.000 0.239 44 L C 2.246 179.099 176.870 -0.029 0.000 1.086 44 L CA 1.068 55.880 54.840 -0.047 0.000 0.897 44 L CB 0.869 42.821 42.059 -0.178 0.000 1.214 44 L HN 0.709 nan 8.230 nan 0.000 0.508 45 T N -5.392 109.156 114.554 -0.010 0.000 3.040 45 T HA 0.001 4.351 4.350 -0.001 0.000 0.266 45 T C 1.543 176.252 174.700 0.015 0.000 1.005 45 T CA 0.624 62.723 62.100 -0.002 0.000 0.906 45 T CB 0.038 68.903 68.868 -0.005 0.000 1.082 45 T HN 0.197 nan 8.240 nan 0.000 0.531 46 T N -1.237 113.334 114.554 0.028 0.000 3.009 46 T HA 0.506 4.856 4.350 -0.001 0.000 0.258 46 T C 1.592 176.316 174.700 0.041 0.000 1.063 46 T CA 0.729 62.853 62.100 0.040 0.000 1.139 46 T CB -0.588 68.316 68.868 0.060 0.000 0.890 46 T HN 1.234 nan 8.240 nan 0.000 0.471 47 G N 1.901 110.724 108.800 0.039 0.000 2.545 47 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.216 47 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.216 47 G C -2.801 172.124 174.900 0.043 0.000 1.314 47 G CA -0.738 44.384 45.100 0.036 0.000 0.906 47 G HN 0.489 nan 8.290 nan 0.000 0.563 48 P HA 0.344 nan 4.420 nan 0.000 0.265 48 P C 0.777 178.104 177.300 0.046 0.000 1.222 48 P CA 0.829 63.951 63.100 0.036 0.000 0.767 48 P CB 0.456 32.174 31.700 0.029 0.000 0.801 49 T N -0.388 114.194 114.554 0.048 0.000 2.860 49 T HA 0.281 4.631 4.350 -0.001 0.000 0.299 49 T C 0.490 175.255 174.700 0.109 0.000 1.045 49 T CA -0.094 62.054 62.100 0.080 0.000 1.071 49 T CB 0.689 69.610 68.868 0.087 0.000 0.985 49 T HN 0.503 nan 8.240 nan 0.000 0.537 50 D N -1.890 118.578 120.400 0.113 0.000 2.557 50 D HA 0.189 4.828 4.640 -0.001 0.000 0.317 50 D C 1.137 177.299 176.300 -0.229 0.000 1.403 50 D CA 0.238 54.288 54.000 0.083 0.000 0.886 50 D CB -0.663 40.155 40.800 0.030 0.000 1.363 50 D HN 1.251 nan 8.370 nan 0.000 0.458 51 G N 0.222 108.802 108.800 -0.367 0.000 2.132 51 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.234 51 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.234 51 G C 0.892 175.645 174.900 -0.246 0.000 0.989 51 G CA 1.164 45.786 45.100 -0.796 0.000 0.676 51 G HN 0.990 nan 8.290 nan 0.000 0.522 52 T N -3.561 110.974 114.554 -0.031 0.000 2.992 52 T HA 0.419 4.769 4.350 -0.001 0.000 0.255 52 T C 1.021 175.899 174.700 0.297 0.000 0.938 52 T CA 1.457 63.608 62.100 0.086 0.000 0.895 52 T CB 0.563 69.448 68.868 0.029 0.000 1.221 52 T HN 1.341 nan 8.240 nan 0.000 0.512 53 T N 0.385 115.078 114.554 0.231 0.000 2.943 53 T HA 0.718 5.067 4.350 -0.001 0.000 0.284 53 T C -0.419 174.409 174.700 0.214 0.000 1.015 53 T CA -0.633 61.601 62.100 0.222 0.000 1.042 53 T CB 1.784 70.725 68.868 0.121 0.000 1.055 53 T HN 0.317 nan 8.240 nan 0.000 0.500 54 S N -0.111 115.641 115.700 0.086 0.000 2.535 54 S HA 0.307 4.776 4.470 -0.001 0.000 0.272 54 S C 0.006 174.599 174.600 -0.012 0.000 1.149 54 S CA -0.673 57.550 58.200 0.038 0.000 0.888 54 S CB 1.664 64.870 63.200 0.009 0.000 1.110 54 S HN 0.708 nan 8.310 nan 0.000 0.463 55 D N 2.519 122.953 120.400 0.057 0.000 2.178 55 D HA -0.085 4.555 4.640 -0.001 0.000 0.201 55 D C 2.040 178.369 176.300 0.048 0.000 0.980 55 D CA 1.240 55.269 54.000 0.048 0.000 0.842 55 D CB -0.047 40.795 40.800 0.070 0.000 0.948 55 D HN 0.358 nan 8.370 nan 0.000 0.472 56 V N 0.971 120.944 119.914 0.098 0.000 2.295 56 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 56 V C 2.400 178.518 176.094 0.040 0.000 1.049 56 V CA 1.559 63.966 62.300 0.178 0.000 1.024 56 V CB -0.426 31.584 31.823 0.311 0.000 0.648 56 V HN 0.090 nan 8.190 nan 0.000 0.447 57 K N 1.268 121.549 120.400 -0.198 0.000 2.063 57 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 57 K C 1.752 178.242 176.600 -0.184 0.000 1.048 57 K CA 1.856 57.893 56.287 -0.417 0.000 0.928 57 K CB -0.516 31.402 32.500 -0.971 0.000 0.713 57 K HN 0.480 nan 8.250 nan 0.000 0.442 58 N N -0.097 118.542 118.700 -0.101 0.000 2.270 58 N HA -0.093 4.646 4.740 -0.001 0.000 0.181 58 N C 1.607 177.109 175.510 -0.013 0.000 1.016 58 N CA 1.539 54.563 53.050 -0.043 0.000 0.870 58 N CB -0.011 38.465 38.487 -0.019 0.000 0.979 58 N HN 0.336 nan 8.380 nan 0.000 0.431 59 V N -1.939 117.986 119.914 0.019 0.000 3.307 59 V HA 0.170 4.290 4.120 -0.001 0.000 0.253 59 V C 1.887 177.995 176.094 0.022 0.000 1.149 59 V CA 1.467 63.795 62.300 0.047 0.000 1.112 59 V CB -0.243 31.649 31.823 0.114 0.000 0.777 59 V HN 0.309 nan 8.190 nan 0.000 0.464 60 T N -3.962 110.593 114.554 0.002 0.000 2.971 60 T HA 0.457 4.806 4.350 -0.001 0.000 0.252 60 T C 1.698 176.313 174.700 -0.141 0.000 1.022 60 T CA 1.068 63.104 62.100 -0.107 0.000 0.980 60 T CB 0.583 69.352 68.868 -0.166 0.000 1.044 60 T HN 1.612 nan 8.240 nan 0.000 0.501 61 G N 0.868 109.613 108.800 -0.092 0.000 2.157 61 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.248 61 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.248 61 G C -0.323 174.550 174.900 -0.046 0.000 0.979 61 G CA 0.152 45.206 45.100 -0.076 0.000 0.650 61 G HN 0.910 nan 8.290 nan 0.000 0.529 62 D N -1.361 119.018 120.400 -0.035 0.000 2.706 62 D HA 0.557 5.197 4.640 -0.001 0.000 0.225 62 D C -0.171 176.267 176.300 0.230 0.000 1.241 62 D CA -0.687 53.393 54.000 0.134 0.000 0.784 62 D CB 0.528 41.422 40.800 0.157 0.000 1.521 62 D HN -0.046 nan 8.370 nan 0.000 0.461 63 F N 1.957 122.094 119.950 0.311 0.000 2.444 63 F HA 0.360 4.886 4.527 -0.001 0.000 0.331 63 F C -1.271 174.712 175.800 0.305 0.000 1.167 63 F CA -1.189 56.974 58.000 0.272 0.000 1.262 63 F CB 0.148 39.328 39.000 0.300 0.000 1.196 63 F HN 0.093 nan 8.300 nan 0.000 0.583 64 P HA 0.025 nan 4.420 nan 0.000 0.270 64 P C -0.308 177.032 177.300 0.066 0.000 1.223 64 P CA 0.032 63.103 63.100 -0.047 0.000 0.785 64 P CB 0.762 32.275 31.700 -0.312 0.000 0.923 65 A N 1.947 124.757 122.820 -0.017 0.000 2.067 65 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 65 A C 0.898 178.561 177.584 0.132 0.000 1.156 65 A CA 1.050 53.160 52.037 0.121 0.000 0.683 65 A CB -0.302 18.751 19.000 0.089 0.000 0.808 65 A HN 0.414 nan 8.150 nan 0.000 0.455 66 V N 0.087 120.008 119.914 0.011 0.000 2.531 66 V HA 0.465 4.585 4.120 -0.001 0.000 0.301 66 V C -1.408 174.662 176.094 -0.041 0.000 1.034 66 V CA -0.609 61.690 62.300 -0.002 0.000 0.865 66 V CB 1.400 33.111 31.823 -0.187 0.000 0.995 66 V HN 0.270 nan 8.190 nan 0.000 0.424 67 F N 2.791 122.589 119.950 -0.253 0.000 2.388 67 F HA 0.708 5.235 4.527 -0.001 0.000 0.358 67 F C 0.917 176.216 175.800 -0.835 0.000 1.122 67 F CA -0.770 56.936 58.000 -0.490 0.000 1.056 67 F CB 1.667 40.510 39.000 -0.262 0.000 1.155 67 F HN 0.546 nan 8.300 nan 0.000 0.461 68 G N 2.468 110.739 108.800 -0.882 0.000 2.367 68 G HA2 0.510 4.469 3.960 -0.001 0.000 0.314 68 G HA3 0.510 4.469 3.960 -0.001 0.000 0.314 68 G C -1.580 172.578 174.900 -1.237 0.000 1.130 68 G CA -0.409 44.186 45.100 -0.841 0.000 0.864 68 G HN 0.665 nan 8.290 nan 0.000 0.486 69 W N -0.601 120.563 121.300 -0.228 0.000 3.060 69 W HA 0.633 5.292 4.660 -0.001 0.000 0.346 69 W C -0.589 175.840 176.519 -0.150 0.000 1.194 69 W CA -0.792 56.342 57.345 -0.351 0.000 1.105 69 W CB 2.039 31.442 29.460 -0.094 0.000 1.487 69 W HN 0.440 nan 8.180 nan 0.000 0.592 70 D N -0.905 119.606 120.400 0.185 0.000 2.661 70 D HA 0.098 4.738 4.640 -0.001 0.000 0.228 70 D C 0.807 177.371 176.300 0.441 0.000 1.210 70 D CA -0.229 53.949 54.000 0.297 0.000 0.826 70 D CB 2.428 43.378 40.800 0.250 0.000 1.542 70 D HN 0.487 nan 8.370 nan 0.000 0.447 71 T N 0.236 115.061 114.554 0.451 0.000 2.977 71 T HA -0.075 4.275 4.350 -0.001 0.000 0.271 71 T C 2.178 177.123 174.700 0.409 0.000 1.105 71 T CA 0.477 62.868 62.100 0.484 0.000 1.116 71 T CB -0.162 69.018 68.868 0.519 0.000 0.878 71 T HN 0.405 nan 8.240 nan 0.000 0.509 72 L N 0.112 121.557 121.223 0.370 0.000 2.189 72 L HA -0.080 4.260 4.340 -0.001 0.000 0.214 72 L C 2.527 179.543 176.870 0.243 0.000 1.097 72 L CA 1.194 56.226 54.840 0.320 0.000 0.764 72 L CB -0.611 41.630 42.059 0.303 0.000 0.900 72 L HN 0.350 nan 8.230 nan 0.000 0.436 73 I N -0.137 120.564 120.570 0.218 0.000 2.127 73 I HA -0.359 3.811 4.170 -0.001 0.000 0.241 73 I C 2.384 178.582 176.117 0.134 0.000 1.075 73 I CA 1.655 63.009 61.300 0.090 0.000 1.334 73 I CB -0.374 37.508 38.000 -0.196 0.000 1.040 73 I HN 0.174 nan 8.210 nan 0.000 0.405 74 I N 0.634 121.339 120.570 0.226 0.000 2.208 74 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 74 I C 2.336 178.499 176.117 0.075 0.000 1.097 74 I CA 1.605 62.979 61.300 0.124 0.000 1.363 74 I CB -0.625 37.401 38.000 0.044 0.000 1.051 74 I HN 0.298 nan 8.210 nan 0.000 0.413 75 E N 0.577 120.851 120.200 0.123 0.000 2.265 75 E HA -0.115 4.235 4.350 -0.001 0.000 0.196 75 E C 1.602 178.267 176.600 0.109 0.000 0.996 75 E CA 0.753 57.237 56.400 0.139 0.000 0.832 75 E CB -0.086 29.756 29.700 0.236 0.000 0.756 75 E HN 0.692 nan 8.360 nan 0.000 0.491 76 G N 0.882 109.737 108.800 0.092 0.000 2.157 76 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.239 76 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.239 76 G C 0.676 175.615 174.900 0.065 0.000 0.982 76 G CA 0.361 45.496 45.100 0.057 0.000 0.650 76 G HN 0.205 nan 8.290 nan 0.000 0.527 77 N N 0.446 119.209 118.700 0.105 0.000 2.405 77 N HA 0.062 4.801 4.740 -0.001 0.000 0.175 77 N C 0.393 175.974 175.510 0.118 0.000 1.051 77 N CA 0.777 53.893 53.050 0.110 0.000 0.899 77 N CB 0.449 39.026 38.487 0.150 0.000 1.000 77 N HN 0.656 nan 8.380 nan 0.000 0.451 78 E N 1.057 121.337 120.200 0.132 0.000 2.224 78 E HA 0.306 4.656 4.350 -0.001 0.000 0.265 78 E C -0.431 176.137 176.600 -0.054 0.000 0.878 78 E CA -0.590 55.907 56.400 0.162 0.000 0.759 78 E CB 2.352 32.240 29.700 0.313 0.000 1.164 78 E HN 0.006 nan 8.360 nan 0.000 0.414 79 R N 2.629 122.934 120.500 -0.325 0.000 2.811 79 R HA 0.009 4.349 4.340 -0.001 0.000 0.265 79 R C -1.386 174.650 176.300 -0.439 0.000 1.026 79 R CA -0.837 54.995 56.100 -0.445 0.000 1.142 79 R CB 0.209 30.125 30.300 -0.641 0.000 1.027 79 R HN 0.372 nan 8.270 nan 0.000 0.465 80 P HA -0.052 nan 4.420 nan 0.000 0.242 80 P C 0.387 177.504 177.300 -0.305 0.000 1.197 80 P CA 0.452 63.236 63.100 -0.527 0.000 0.765 80 P CB 0.164 31.301 31.700 -0.939 0.000 0.936 81 G N 0.717 109.375 108.800 -0.237 0.000 2.491 81 G HA2 0.362 4.322 3.960 -0.001 0.000 0.238 81 G HA3 0.362 4.322 3.960 -0.001 0.000 0.238 81 G C -0.621 174.232 174.900 -0.078 0.000 1.277 81 G CA -0.191 44.841 45.100 -0.112 0.000 0.851 81 G HN 0.145 nan 8.290 nan 0.000 0.573 82 L N 1.145 122.342 121.223 -0.042 0.000 2.401 82 L HA 0.409 4.748 4.340 -0.001 0.000 0.266 82 L C 1.404 178.275 176.870 0.002 0.000 0.991 82 L CA -1.014 53.812 54.840 -0.024 0.000 0.818 82 L CB 2.092 44.134 42.059 -0.028 0.000 1.321 82 L HN 0.664 nan 8.230 nan 0.000 0.413 83 A N 1.778 124.605 122.820 0.013 0.000 1.873 83 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 83 A C 1.831 179.426 177.584 0.019 0.000 1.193 83 A CA 2.019 54.071 52.037 0.025 0.000 0.629 83 A CB -0.352 18.664 19.000 0.027 0.000 0.826 83 A HN 0.897 nan 8.150 nan 0.000 0.447 84 E N 1.298 121.505 120.200 0.012 0.000 2.048 84 E HA -0.144 4.206 4.350 -0.001 0.000 0.202 84 E C 0.642 177.246 176.600 0.008 0.000 1.021 84 E CA 1.021 57.427 56.400 0.009 0.000 0.825 84 E CB -0.563 29.139 29.700 0.005 0.000 0.756 84 E HN 0.633 nan 8.360 nan 0.000 0.454 85 N N 1.204 119.905 118.700 0.002 0.000 2.265 85 N HA -0.051 4.689 4.740 -0.001 0.000 0.231 85 N C 0.036 175.549 175.510 0.005 0.000 1.266 85 N CA 0.825 53.874 53.050 -0.001 0.000 0.862 85 N CB 0.059 38.540 38.487 -0.009 0.000 1.100 85 N HN 0.265 nan 8.380 nan 0.000 0.439 86 T N -2.005 112.550 114.554 0.002 0.000 2.882 86 T HA 0.259 4.608 4.350 -0.001 0.000 0.287 86 T C 1.329 176.031 174.700 0.002 0.000 1.014 86 T CA -0.670 61.433 62.100 0.005 0.000 1.049 86 T CB 1.159 70.028 68.868 0.001 0.000 1.001 86 T HN 0.341 nan 8.240 nan 0.000 0.525 87 R N 0.924 121.427 120.500 0.004 0.000 2.139 87 R HA -0.130 4.209 4.340 -0.001 0.000 0.243 87 R C 1.468 177.760 176.300 -0.013 0.000 1.145 87 R CA 1.930 58.028 56.100 -0.004 0.000 0.976 87 R CB -0.511 29.780 30.300 -0.015 0.000 0.866 87 R HN 0.719 nan 8.270 nan 0.000 0.449 88 D N 0.290 120.681 120.400 -0.015 0.000 2.219 88 D HA -0.117 4.522 4.640 -0.001 0.000 0.205 88 D C 1.618 177.907 176.300 -0.019 0.000 0.970 88 D CA 1.056 55.044 54.000 -0.021 0.000 0.851 88 D CB 0.064 40.852 40.800 -0.020 0.000 0.943 88 D HN 0.437 nan 8.370 nan 0.000 0.488 89 E N 0.042 120.234 120.200 -0.014 0.000 2.122 89 E HA -0.025 4.325 4.350 -0.001 0.000 0.190 89 E C 1.528 178.119 176.600 -0.016 0.000 0.977 89 E CA 0.319 56.710 56.400 -0.015 0.000 0.820 89 E CB -0.067 29.625 29.700 -0.014 0.000 0.770 89 E HN 0.202 nan 8.360 nan 0.000 0.462 90 N N 1.539 120.233 118.700 -0.010 0.000 2.166 90 N HA -0.100 4.640 4.740 -0.001 0.000 0.186 90 N C 1.983 177.511 175.510 0.031 0.000 1.019 90 N CA 0.915 53.962 53.050 -0.004 0.000 0.856 90 N CB -0.120 38.376 38.487 0.014 0.000 0.993 90 N HN 0.203 nan 8.380 nan 0.000 0.426 91 I N 1.138 121.720 120.570 0.021 0.000 2.264 91 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 91 I C 2.282 178.396 176.117 -0.005 0.000 1.111 91 I CA 0.875 62.179 61.300 0.007 0.000 1.382 91 I CB -0.250 37.721 38.000 -0.047 0.000 1.060 91 I HN 0.064 nan 8.210 nan 0.000 0.418 92 A N 0.873 123.684 122.820 -0.015 0.000 1.930 92 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 92 A C 2.273 179.853 177.584 -0.005 0.000 1.175 92 A CA 1.208 53.233 52.037 -0.020 0.000 0.627 92 A CB -0.654 18.333 19.000 -0.022 0.000 0.815 92 A HN 0.378 nan 8.150 nan 0.000 0.443 93 L N -2.212 119.002 121.223 -0.015 0.000 2.109 93 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 93 L C 2.450 179.272 176.870 -0.079 0.000 1.086 93 L CA 1.022 55.830 54.840 -0.054 0.000 0.760 93 L CB -0.540 41.429 42.059 -0.149 0.000 0.910 93 L HN 0.400 nan 8.230 nan 0.000 0.437 94 F N 1.238 121.037 119.950 -0.252 0.000 2.102 94 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 94 F C 2.508 178.132 175.800 -0.295 0.000 1.105 94 F CA 1.114 58.914 58.000 -0.332 0.000 1.239 94 F CB -0.578 38.280 39.000 -0.237 0.000 0.991 94 F HN -0.000 nan 8.300 nan 0.000 0.474 95 A N -0.442 122.411 122.820 0.055 0.000 1.933 95 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 95 A C 1.947 179.513 177.584 -0.030 0.000 1.175 95 A CA 2.030 54.039 52.037 -0.047 0.000 0.628 95 A CB -1.219 17.734 19.000 -0.078 0.000 0.814 95 A HN 0.483 nan 8.150 nan 0.000 0.444 96 D N -1.870 118.543 120.400 0.022 0.000 2.097 96 D HA -0.190 4.450 4.640 -0.001 0.000 0.195 96 D C 1.642 177.965 176.300 0.038 0.000 0.989 96 D CA 1.422 55.446 54.000 0.039 0.000 0.827 96 D CB -0.258 40.602 40.800 0.100 0.000 0.966 96 D HN 0.457 nan 8.370 nan 0.000 0.456 97 Y N 0.571 120.743 120.300 -0.214 0.000 2.181 97 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 97 Y C 2.340 178.047 175.900 -0.323 0.000 1.146 97 Y CA 0.685 58.601 58.100 -0.306 0.000 1.164 97 Y CB -0.474 37.627 38.460 -0.597 0.000 0.982 97 Y HN 0.118 nan 8.280 nan 0.000 0.515 98 I N -0.604 119.843 120.570 -0.205 0.000 2.286 98 I HA -0.345 3.825 4.170 -0.001 0.000 0.248 98 I C 2.319 178.361 176.117 -0.125 0.000 1.115 98 I CA 1.314 62.525 61.300 -0.149 0.000 1.392 98 I CB -0.304 37.622 38.000 -0.123 0.000 1.065 98 I HN 0.172 nan 8.210 nan 0.000 0.418 99 R N 0.952 121.377 120.500 -0.125 0.000 2.062 99 R HA -0.132 4.208 4.340 -0.001 0.000 0.231 99 R C 2.301 178.501 176.300 -0.168 0.000 1.136 99 R CA 1.329 57.347 56.100 -0.137 0.000 0.948 99 R CB -0.201 30.034 30.300 -0.109 0.000 0.845 99 R HN 0.273 nan 8.270 nan 0.000 0.430 100 K N 0.288 120.582 120.400 -0.176 0.000 2.103 100 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 100 K C 2.134 178.561 176.600 -0.288 0.000 1.048 100 K CA 1.343 57.504 56.287 -0.210 0.000 0.930 100 K CB -0.160 32.200 32.500 -0.233 0.000 0.716 100 K HN 0.170 nan 8.250 nan 0.000 0.444 101 A N 1.918 124.532 122.820 -0.343 0.000 1.845 101 A HA -0.262 4.058 4.320 -0.001 0.000 0.215 101 A C 1.952 179.192 177.584 -0.573 0.000 1.195 101 A CA 2.120 53.694 52.037 -0.771 0.000 0.616 101 A CB -0.791 17.766 19.000 -0.739 0.000 0.832 101 A HN 0.384 nan 8.150 nan 0.000 0.443 102 D N -0.414 119.788 120.400 -0.330 0.000 2.149 102 D HA -0.062 4.578 4.640 -0.001 0.000 0.198 102 D C 1.921 178.110 176.300 -0.185 0.000 0.990 102 D CA 1.660 55.528 54.000 -0.222 0.000 0.839 102 D CB -0.151 40.516 40.800 -0.222 0.000 0.948 102 D HN 0.362 nan 8.370 nan 0.000 0.460 103 A N 0.353 123.053 122.820 -0.201 0.000 1.898 103 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 103 A C 2.132 179.616 177.584 -0.165 0.000 1.181 103 A CA 1.097 53.039 52.037 -0.158 0.000 0.620 103 A CB -0.607 18.302 19.000 -0.151 0.000 0.819 103 A HN 0.333 nan 8.150 nan 0.000 0.442 104 I N -0.880 119.539 120.570 -0.252 0.000 2.423 104 I HA -0.095 4.075 4.170 -0.001 0.000 0.254 104 I C 1.883 177.919 176.117 -0.135 0.000 1.151 104 I CA 1.579 62.712 61.300 -0.280 0.000 1.421 104 I CB -1.802 35.905 38.000 -0.489 0.000 1.079 104 I HN 0.598 nan 8.210 nan 0.000 0.431 105 G N -0.085 108.649 108.800 -0.111 0.000 2.154 105 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.186 105 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.186 105 G C 0.584 175.505 174.900 0.035 0.000 1.000 105 G CA -0.134 44.961 45.100 -0.007 0.000 0.664 105 G HN 0.697 nan 8.290 nan 0.000 0.513 106 G N -1.046 107.728 108.800 -0.043 0.000 2.522 106 G HA2 0.675 4.634 3.960 -0.001 0.000 0.304 106 G HA3 0.675 4.634 3.960 -0.001 0.000 0.304 106 G C -0.203 174.736 174.900 0.064 0.000 1.210 106 G CA -0.162 44.969 45.100 0.051 0.000 0.960 106 G HN 0.883 nan 8.290 nan 0.000 0.497 107 V N 1.440 121.429 119.914 0.125 0.000 2.427 107 V HA 0.285 4.405 4.120 -0.001 0.000 0.286 107 V C -0.248 175.915 176.094 0.114 0.000 1.034 107 V CA -1.054 61.325 62.300 0.132 0.000 0.893 107 V CB 1.392 33.231 31.823 0.026 0.000 0.982 107 V HN 0.626 nan 8.190 nan 0.000 0.452 108 N N 2.164 120.945 118.700 0.136 0.000 2.456 108 N HA 0.448 5.188 4.740 -0.001 0.000 0.288 108 N C -0.405 175.176 175.510 0.119 0.000 1.059 108 N CA -0.114 53.054 53.050 0.198 0.000 0.946 108 N CB 2.148 40.800 38.487 0.276 0.000 1.150 108 N HN 0.687 nan 8.380 nan 0.000 0.479 109 T N 0.354 114.970 114.554 0.102 0.000 2.906 109 T HA 0.603 4.953 4.350 -0.001 0.000 0.295 109 T C -1.317 173.472 174.700 0.148 0.000 1.061 109 T CA -0.491 61.639 62.100 0.049 0.000 1.000 109 T CB 1.079 69.923 68.868 -0.041 0.000 1.103 109 T HN 0.078 nan 8.240 nan 0.000 0.486 110 V N 3.662 123.647 119.914 0.119 0.000 2.733 110 V HA 0.647 4.767 4.120 -0.001 0.000 0.306 110 V C -0.011 176.100 176.094 0.028 0.000 1.084 110 V CA -0.890 61.530 62.300 0.200 0.000 0.905 110 V CB 1.923 33.925 31.823 0.298 0.000 1.010 110 V HN 1.101 nan 8.190 nan 0.000 0.424 111 S N 2.753 118.478 115.700 0.042 0.000 2.739 111 S HA 0.967 5.437 4.470 -0.001 0.000 0.306 111 S C -0.257 174.316 174.600 -0.045 0.000 1.115 111 S CA -0.353 57.778 58.200 -0.116 0.000 0.985 111 S CB 2.284 65.449 63.200 -0.059 0.000 1.133 111 S HN 1.646 nan 8.310 nan 0.000 0.541 112 A N 0.930 123.631 122.820 -0.199 0.000 2.569 112 A HA 0.549 4.869 4.320 -0.001 0.000 0.282 112 A C -1.232 176.211 177.584 -0.236 0.000 1.165 112 A CA -0.649 51.304 52.037 -0.140 0.000 0.747 112 A CB -0.099 18.703 19.000 -0.330 0.000 1.215 112 A HN 0.857 nan 8.150 nan 0.000 0.431 113 H N 1.522 120.553 119.070 -0.065 0.000 2.799 113 H HA 0.305 4.861 4.556 -0.001 0.000 0.225 113 H C 0.317 175.771 175.328 0.209 0.000 1.904 113 H CA 0.041 56.022 56.048 -0.113 0.000 1.344 113 H CB -0.255 29.130 29.762 -0.629 0.000 1.744 113 H HN 0.395 nan 8.280 nan 0.000 0.542 114 V N 2.257 122.243 119.914 0.120 0.000 2.644 114 V HA -0.111 4.009 4.120 -0.001 0.000 0.305 114 V C 1.033 177.440 176.094 0.522 0.000 1.053 114 V CA -0.090 62.287 62.300 0.129 0.000 1.186 114 V CB -0.024 31.699 31.823 -0.167 0.000 0.895 114 V HN 0.720 nan 8.190 nan 0.000 0.490 115 E N 4.147 124.483 120.200 0.228 0.000 2.404 115 E HA -0.004 4.346 4.350 -0.001 0.000 0.261 115 E C 0.157 176.615 176.600 -0.237 0.000 1.074 115 E CA -0.648 55.835 56.400 0.139 0.000 0.917 115 E CB 0.403 30.162 29.700 0.099 0.000 0.965 115 E HN 0.588 nan 8.360 nan 0.000 0.433 116 N N 2.893 121.460 118.700 -0.222 0.000 2.605 116 N HA -0.019 4.721 4.740 -0.001 0.000 0.258 116 N C -0.068 175.132 175.510 -0.517 0.000 1.156 116 N CA -0.152 52.466 53.050 -0.721 0.000 1.008 116 N CB -0.282 37.937 38.487 -0.447 0.000 1.354 116 N HN 0.463 nan 8.380 nan 0.000 0.509 117 F N 1.855 121.630 119.950 -0.292 0.000 2.085 117 F HA -0.293 4.234 4.527 -0.001 0.000 0.299 117 F C 2.383 178.135 175.800 -0.081 0.000 1.096 117 F CA 1.001 58.951 58.000 -0.085 0.000 1.227 117 F CB -0.906 38.086 39.000 -0.014 0.000 0.983 117 F HN 0.246 nan 8.300 nan 0.000 0.482 118 V N -0.151 119.673 119.914 -0.149 0.000 2.255 118 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 118 V C 2.415 178.464 176.094 -0.074 0.000 1.051 118 V CA 2.539 64.678 62.300 -0.268 0.000 1.018 118 V CB -1.218 30.323 31.823 -0.469 0.000 0.641 118 V HN 0.614 nan 8.190 nan 0.000 0.445 119 T N -3.337 111.147 114.554 -0.116 0.000 3.040 119 T HA 0.350 4.700 4.350 -0.001 0.000 0.250 119 T C 1.503 176.189 174.700 -0.023 0.000 1.058 119 T CA 1.074 63.139 62.100 -0.059 0.000 0.988 119 T CB 0.796 69.615 68.868 -0.081 0.000 0.993 119 T HN 1.013 nan 8.240 nan 0.000 0.519 120 G N 0.553 109.344 108.800 -0.015 0.000 2.179 120 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.260 120 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.260 120 G C 0.628 175.527 174.900 -0.001 0.000 0.977 120 G CA 0.068 45.179 45.100 0.017 0.000 0.641 120 G HN 1.035 nan 8.290 nan 0.000 0.533 121 G N 0.000 108.780 108.800 -0.033 0.000 2.516 121 G HA2 0.652 4.611 3.960 -0.001 0.000 0.276 121 G HA3 0.652 4.611 3.960 -0.001 0.000 0.276 121 G C 0.727 175.615 174.900 -0.020 0.000 1.390 121 G CA 0.997 46.081 45.100 -0.028 0.000 1.050 121 G HN 1.610 nan 8.290 nan 0.000 0.519 122 S N -1.597 114.075 115.700 -0.047 0.000 2.738 122 S HA 0.417 4.887 4.470 -0.001 0.000 0.284 122 S C 1.217 175.823 174.600 0.010 0.000 1.146 122 S CA 0.066 58.196 58.200 -0.117 0.000 0.997 122 S CB 0.852 63.786 63.200 -0.443 0.000 1.081 122 S HN 0.811 nan 8.310 nan 0.000 0.553 123 F N -1.175 118.995 119.950 0.366 0.000 2.307 123 F HA 0.041 4.568 4.527 -0.000 0.000 0.301 123 F C 1.723 177.809 175.800 0.478 0.000 1.076 123 F CA 0.527 58.798 58.000 0.452 0.000 1.383 123 F CB -1.020 38.146 39.000 0.276 0.000 1.055 123 F HN 0.457 nan 8.300 nan 0.000 0.526 124 Y N 0.896 121.122 120.300 -0.124 0.000 2.516 124 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 124 Y C 0.781 176.707 175.900 0.043 0.000 1.131 124 Y CA -0.040 58.103 58.100 0.072 0.000 1.281 124 Y CB -0.827 37.587 38.460 -0.075 0.000 1.013 124 Y HN 0.079 nan 8.280 nan 0.000 0.554 125 D N 0.617 121.121 120.400 0.174 0.000 2.344 125 D HA -0.011 4.628 4.640 -0.001 0.000 0.253 125 D C 0.575 176.921 176.300 0.076 0.000 1.255 125 D CA 0.269 54.315 54.000 0.077 0.000 0.894 125 D CB 0.620 41.431 40.800 0.018 0.000 1.067 125 D HN 0.213 nan 8.370 nan 0.000 0.492 126 T N 0.375 114.914 114.554 -0.025 0.000 3.287 126 T HA 0.244 4.593 4.350 -0.001 0.000 0.253 126 T C 0.628 175.135 174.700 -0.322 0.000 0.975 126 T CA -0.632 61.323 62.100 -0.241 0.000 0.912 126 T CB -0.431 68.189 68.868 -0.413 0.000 1.071 126 T HN 0.212 nan 8.240 nan 0.000 0.578 127 S N -0.736 114.867 115.700 -0.162 0.000 2.766 127 S HA 0.758 5.227 4.470 -0.001 0.000 0.307 127 S C 1.242 175.758 174.600 -0.141 0.000 1.121 127 S CA -0.158 57.964 58.200 -0.130 0.000 0.980 127 S CB 1.099 64.255 63.200 -0.073 0.000 1.159 127 S HN 1.135 nan 8.310 nan 0.000 0.546 128 G N 0.135 108.871 108.800 -0.107 0.000 2.199 128 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.254 128 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.254 128 G C 0.238 175.063 174.900 -0.126 0.000 0.982 128 G CA 0.565 45.589 45.100 -0.127 0.000 0.632 128 G HN 1.374 nan 8.290 nan 0.000 0.529 129 D N -0.879 119.472 120.400 -0.082 0.000 2.870 129 D HA -0.162 4.477 4.640 -0.001 0.000 0.228 129 D C 1.481 177.762 176.300 -0.032 0.000 1.147 129 D CA 1.998 55.989 54.000 -0.015 0.000 0.757 129 D CB -1.400 39.400 40.800 -0.001 0.000 1.091 129 D HN 0.626 nan 8.370 nan 0.000 0.429 130 T N -0.356 114.135 114.554 -0.104 0.000 2.778 130 T HA -0.209 4.141 4.350 -0.001 0.000 0.269 130 T C 1.888 176.648 174.700 0.099 0.000 1.050 130 T CA 0.953 62.929 62.100 -0.207 0.000 1.137 130 T CB 0.044 68.489 68.868 -0.704 0.000 0.860 130 T HN 0.299 nan 8.240 nan 0.000 0.468 131 L N 1.729 123.184 121.223 0.387 0.000 1.955 131 L HA -0.072 4.268 4.340 -0.001 0.000 0.213 131 L C 2.338 179.338 176.870 0.216 0.000 1.072 131 L CA 1.948 57.055 54.840 0.444 0.000 0.755 131 L CB -0.894 41.406 42.059 0.403 0.000 0.888 131 L HN 0.199 nan 8.230 nan 0.000 0.432 132 R N -0.566 120.023 120.500 0.149 0.000 2.189 132 R HA -0.022 4.318 4.340 -0.001 0.000 0.223 132 R C 1.997 178.327 176.300 0.050 0.000 1.092 132 R CA 0.968 57.117 56.100 0.080 0.000 0.989 132 R CB -0.302 30.038 30.300 0.066 0.000 0.876 132 R HN 0.513 nan 8.270 nan 0.000 0.457 133 A N 0.120 122.963 122.820 0.038 0.000 2.208 133 A HA 0.033 4.353 4.320 -0.001 0.000 0.209 133 A C 1.871 179.506 177.584 0.085 0.000 1.161 133 A CA 0.542 52.594 52.037 0.026 0.000 0.782 133 A CB 0.307 19.244 19.000 -0.106 0.000 0.816 133 A HN 0.139 nan 8.150 nan 0.000 0.477 134 V N -0.235 119.742 119.914 0.104 0.000 3.565 134 V HA 0.201 4.321 4.120 -0.001 0.000 0.260 134 V C 0.873 177.068 176.094 0.169 0.000 1.231 134 V CA 0.122 62.508 62.300 0.143 0.000 1.100 134 V CB -0.211 31.749 31.823 0.227 0.000 0.807 134 V HN 0.474 nan 8.190 nan 0.000 0.454 135 L N 1.115 122.389 121.223 0.085 0.000 2.474 135 L HA 0.202 4.542 4.340 -0.001 0.000 0.259 135 L C -2.024 174.742 176.870 -0.173 0.000 1.232 135 L CA -1.478 53.361 54.840 -0.001 0.000 0.821 135 L CB -0.485 41.551 42.059 -0.038 0.000 1.108 135 L HN 0.028 nan 8.230 nan 0.000 0.495 136 P HA -0.022 nan 4.420 nan 0.000 0.260 136 P C 0.584 177.516 177.300 -0.613 0.000 1.172 136 P CA 1.220 63.810 63.100 -0.850 0.000 0.760 136 P CB 0.445 31.645 31.700 -0.833 0.000 0.773 137 G N 2.183 110.623 108.800 -0.599 0.000 2.179 137 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.260 137 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.260 137 G C 0.616 175.414 174.900 -0.170 0.000 0.977 137 G CA -0.218 44.691 45.100 -0.318 0.000 0.641 137 G HN 0.875 nan 8.290 nan 0.000 0.533 138 G N -0.004 108.714 108.800 -0.135 0.000 2.539 138 G HA2 0.560 4.520 3.960 -0.001 0.000 0.258 138 G HA3 0.560 4.520 3.960 -0.001 0.000 0.258 138 G C 1.232 176.165 174.900 0.055 0.000 1.202 138 G CA 0.905 45.999 45.100 -0.010 0.000 0.851 138 G HN 1.270 nan 8.290 nan 0.000 0.556 139 S N -0.378 115.381 115.700 0.098 0.000 2.500 139 S HA -0.100 4.370 4.470 -0.001 0.000 0.239 139 S C 1.125 175.824 174.600 0.164 0.000 0.989 139 S CA 1.258 59.541 58.200 0.138 0.000 0.951 139 S CB -0.165 63.151 63.200 0.194 0.000 0.759 139 S HN 0.632 nan 8.310 nan 0.000 0.523 140 H N -1.333 117.737 119.070 0.001 0.000 2.767 140 H HA 0.335 4.890 4.556 -0.001 0.000 0.260 140 H C 1.034 176.319 175.328 -0.072 0.000 1.172 140 H CA -0.324 55.704 56.048 -0.033 0.000 1.048 140 H CB -0.187 29.559 29.762 -0.027 0.000 1.697 140 H HN 0.491 nan 8.280 nan 0.000 0.606 141 H N 1.184 120.241 119.070 -0.022 0.000 2.357 141 H HA -0.174 4.382 4.556 -0.001 0.000 0.296 141 H C 2.199 177.461 175.328 -0.110 0.000 1.108 141 H CA 2.078 58.073 56.048 -0.088 0.000 1.273 141 H CB 0.112 29.808 29.762 -0.110 0.000 1.367 141 H HN 0.407 nan 8.280 nan 0.000 0.498 142 A N 0.950 123.707 122.820 -0.106 0.000 1.978 142 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 142 A C 2.230 179.687 177.584 -0.211 0.000 1.170 142 A CA 1.792 53.741 52.037 -0.147 0.000 0.636 142 A CB -0.322 18.640 19.000 -0.063 0.000 0.810 142 A HN 0.650 nan 8.150 nan 0.000 0.448 143 E N -0.374 119.668 120.200 -0.264 0.000 2.031 143 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 143 E C 2.018 178.271 176.600 -0.578 0.000 0.994 143 E CA 1.354 57.522 56.400 -0.387 0.000 0.800 143 E CB -0.656 28.735 29.700 -0.515 0.000 0.752 143 E HN 0.543 nan 8.360 nan 0.000 0.447 144 L N 1.481 122.284 121.223 -0.701 0.000 2.012 144 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 144 L C 2.394 179.168 176.870 -0.160 0.000 1.073 144 L CA 1.345 55.942 54.840 -0.406 0.000 0.748 144 L CB -0.617 41.358 42.059 -0.140 0.000 0.891 144 L HN -0.108 nan 8.230 nan 0.000 0.431 145 V N 0.348 120.072 119.914 -0.318 0.000 2.282 145 V HA -0.369 3.751 4.120 -0.001 0.000 0.249 145 V C 2.851 178.859 176.094 -0.142 0.000 1.057 145 V CA 1.907 63.978 62.300 -0.382 0.000 1.032 145 V CB -1.489 30.111 31.823 -0.372 0.000 0.645 145 V HN 0.660 nan 8.190 nan 0.000 0.447 146 A N -1.262 121.517 122.820 -0.068 0.000 1.883 146 A HA -0.300 4.020 4.320 -0.001 0.000 0.217 146 A C 2.155 179.806 177.584 0.111 0.000 1.186 146 A CA 2.300 54.353 52.037 0.026 0.000 0.624 146 A CB -0.846 18.164 19.000 0.017 0.000 0.822 146 A HN 0.619 nan 8.150 nan 0.000 0.444 147 Y N 0.363 120.688 120.300 0.042 0.000 2.145 147 Y HA -0.148 4.401 4.550 -0.001 0.000 0.286 147 Y C 2.087 178.077 175.900 0.149 0.000 1.145 147 Y CA 1.820 60.021 58.100 0.168 0.000 1.148 147 Y CB -0.240 38.429 38.460 0.349 0.000 0.981 147 Y HN 0.220 nan 8.280 nan 0.000 0.507 148 L N -0.379 121.058 121.223 0.356 0.000 2.131 148 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 148 L C 1.918 178.925 176.870 0.229 0.000 1.092 148 L CA 1.327 56.346 54.840 0.299 0.000 0.759 148 L CB -0.570 41.637 42.059 0.247 0.000 0.903 148 L HN 0.247 nan 8.230 nan 0.000 0.435 149 D N 0.085 120.608 120.400 0.206 0.000 2.144 149 D HA -0.173 4.466 4.640 -0.001 0.000 0.199 149 D C 1.654 177.970 176.300 0.027 0.000 0.984 149 D CA 1.171 55.253 54.000 0.137 0.000 0.834 149 D CB -0.089 40.781 40.800 0.117 0.000 0.955 149 D HN 0.309 nan 8.370 nan 0.000 0.465 150 D N 0.312 120.713 120.400 0.002 0.000 2.219 150 D HA -0.026 4.614 4.640 -0.001 0.000 0.205 150 D C 2.198 178.450 176.300 -0.080 0.000 0.970 150 D CA 0.186 54.146 54.000 -0.066 0.000 0.851 150 D CB 0.004 40.723 40.800 -0.136 0.000 0.943 150 D HN 0.297 nan 8.370 nan 0.000 0.488 151 I N 0.656 121.209 120.570 -0.028 0.000 2.546 151 I HA -0.144 4.026 4.170 -0.001 0.000 0.255 151 I C 2.266 178.304 176.117 -0.131 0.000 1.163 151 I CA 0.470 61.745 61.300 -0.041 0.000 1.457 151 I CB -0.066 37.963 38.000 0.048 0.000 1.092 151 I HN -0.084 nan 8.210 nan 0.000 0.434 152 A N 0.270 123.008 122.820 -0.135 0.000 1.968 152 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 152 A C 2.198 179.656 177.584 -0.210 0.000 1.169 152 A CA 1.046 52.943 52.037 -0.232 0.000 0.638 152 A CB -0.237 18.654 19.000 -0.181 0.000 0.812 152 A HN 0.237 nan 8.150 nan 0.000 0.446 153 E N -0.226 119.885 120.200 -0.147 0.000 2.031 153 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 153 E C 1.983 178.485 176.600 -0.164 0.000 0.994 153 E CA 1.225 57.544 56.400 -0.136 0.000 0.800 153 E CB -0.609 29.029 29.700 -0.103 0.000 0.752 153 E HN 0.487 nan 8.360 nan 0.000 0.447 154 L N 0.908 122.018 121.223 -0.189 0.000 2.079 154 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 154 L C 2.160 178.899 176.870 -0.217 0.000 1.081 154 L CA 2.140 56.830 54.840 -0.250 0.000 0.752 154 L CB -0.813 41.015 42.059 -0.386 0.000 0.896 154 L HN 0.067 nan 8.230 nan 0.000 0.433 155 A N -0.769 121.923 122.820 -0.214 0.000 1.883 155 A HA -0.312 4.007 4.320 -0.001 0.000 0.217 155 A C 2.138 179.593 177.584 -0.215 0.000 1.186 155 A CA 2.058 53.950 52.037 -0.243 0.000 0.624 155 A CB -1.091 17.508 19.000 -0.668 0.000 0.822 155 A HN 0.587 nan 8.150 nan 0.000 0.444 156 D N -0.740 119.529 120.400 -0.218 0.000 2.178 156 D HA 0.077 4.716 4.640 -0.001 0.000 0.202 156 D C 1.820 178.038 176.300 -0.137 0.000 0.974 156 D CA 1.186 55.084 54.000 -0.171 0.000 0.841 156 D CB -0.123 40.582 40.800 -0.158 0.000 0.953 156 D HN 0.349 nan 8.370 nan 0.000 0.478 157 A N -0.503 122.234 122.820 -0.137 0.000 2.119 157 A HA 0.093 4.413 4.320 -0.001 0.000 0.216 157 A C 1.414 178.929 177.584 -0.115 0.000 1.152 157 A CA 0.217 52.184 52.037 -0.116 0.000 0.708 157 A CB -0.022 18.911 19.000 -0.111 0.000 0.805 157 A HN 0.133 nan 8.150 nan 0.000 0.460 158 S N 1.216 116.839 115.700 -0.128 0.000 3.900 158 S HA 0.340 4.810 4.470 -0.001 0.000 0.248 158 S C 0.101 174.630 174.600 -0.118 0.000 1.310 158 S CA 0.014 58.142 58.200 -0.121 0.000 0.915 158 S CB -0.432 62.700 63.200 -0.113 0.000 1.588 158 S HN 0.489 nan 8.310 nan 0.000 0.472 159 R N 1.063 121.495 120.500 -0.113 0.000 2.795 159 R HA 0.488 4.827 4.340 -0.001 0.000 0.275 159 R C -0.134 176.098 176.300 -0.113 0.000 0.981 159 R CA -0.950 55.082 56.100 -0.114 0.000 0.917 159 R CB 1.780 32.021 30.300 -0.098 0.000 1.202 159 R HN 0.353 nan 8.270 nan 0.000 0.469 160 R N 0.430 120.858 120.500 -0.120 0.000 2.649 160 R HA 0.067 4.407 4.340 -0.001 0.000 0.270 160 R C 0.410 176.658 176.300 -0.088 0.000 1.105 160 R CA -0.515 55.517 56.100 -0.113 0.000 1.193 160 R CB 0.412 30.639 30.300 -0.122 0.000 1.120 160 R HN 0.630 nan 8.270 nan 0.000 0.561 161 D N 1.251 121.604 120.400 -0.077 0.000 2.221 161 D HA -0.157 4.482 4.640 -0.001 0.000 0.204 161 D C 0.812 177.077 176.300 -0.057 0.000 0.982 161 D CA 1.490 55.453 54.000 -0.062 0.000 0.857 161 D CB -0.075 40.692 40.800 -0.055 0.000 0.934 161 D HN 0.552 nan 8.370 nan 0.000 0.475 162 D N -0.817 119.547 120.400 -0.060 0.000 2.336 162 D HA 0.087 4.727 4.640 -0.001 0.000 0.229 162 D C 1.504 177.770 176.300 -0.057 0.000 1.061 162 D CA 0.696 54.664 54.000 -0.053 0.000 0.875 162 D CB -0.161 40.609 40.800 -0.050 0.000 0.904 162 D HN 0.190 nan 8.370 nan 0.000 0.525 163 G N -0.479 108.282 108.800 -0.065 0.000 2.179 163 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.260 163 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.260 163 G C 0.434 175.288 174.900 -0.077 0.000 0.977 163 G CA 0.408 45.468 45.100 -0.068 0.000 0.641 163 G HN 0.461 nan 8.290 nan 0.000 0.533 164 T N 2.057 116.561 114.554 -0.084 0.000 2.853 164 T HA 0.418 4.768 4.350 -0.001 0.000 0.298 164 T C 1.018 175.647 174.700 -0.118 0.000 0.978 164 T CA -0.125 61.918 62.100 -0.095 0.000 1.152 164 T CB 0.931 69.737 68.868 -0.102 0.000 0.914 164 T HN 0.342 nan 8.240 nan 0.000 0.539 165 L N 4.552 125.709 121.223 -0.110 0.000 2.513 165 L HA 0.129 4.469 4.340 -0.001 0.000 0.272 165 L C 0.609 177.388 176.870 -0.152 0.000 1.187 165 L CA -0.424 54.345 54.840 -0.118 0.000 0.895 165 L CB 0.140 42.141 42.059 -0.098 0.000 1.147 165 L HN 0.451 nan 8.230 nan 0.000 0.483 166 I N 5.618 126.090 120.570 -0.164 0.000 2.471 166 I HA 0.177 4.347 4.170 -0.001 0.000 0.286 166 I C -1.933 174.106 176.117 -0.129 0.000 1.079 166 I CA -2.021 59.145 61.300 -0.222 0.000 1.398 166 I CB 0.581 38.467 38.000 -0.190 0.000 1.403 166 I HN 0.257 nan 8.210 nan 0.000 0.530 167 P HA 0.312 nan 4.420 nan 0.000 0.271 167 P C -0.568 176.774 177.300 0.070 0.000 1.218 167 P CA 0.069 63.191 63.100 0.037 0.000 0.780 167 P CB 0.715 32.514 31.700 0.164 0.000 0.901 168 I N 1.649 122.276 120.570 0.095 0.000 2.571 168 I HA 0.182 4.352 4.170 -0.001 0.000 0.289 168 I C -0.669 175.381 176.117 -0.112 0.000 1.115 168 I CA -1.169 60.136 61.300 0.007 0.000 1.045 168 I CB 2.358 40.339 38.000 -0.033 0.000 1.238 168 I HN -0.081 nan 8.210 nan 0.000 0.424 169 V N 6.234 126.116 119.914 -0.053 0.000 2.356 169 V HA 0.132 4.251 4.120 -0.001 0.000 0.258 169 V C -0.219 175.824 176.094 -0.085 0.000 1.065 169 V CA -0.183 62.096 62.300 -0.034 0.000 0.935 169 V CB 0.265 32.117 31.823 0.049 0.000 1.061 169 V HN 0.393 nan 8.190 nan 0.000 0.484 170 F N 6.080 125.750 119.950 -0.466 0.000 2.424 170 F HA 0.460 4.987 4.527 -0.001 0.000 0.356 170 F C 0.677 176.395 175.800 -0.137 0.000 1.110 170 F CA -0.688 57.011 58.000 -0.501 0.000 1.161 170 F CB 0.578 38.994 39.000 -0.972 0.000 1.115 170 F HN 0.386 nan 8.300 nan 0.000 0.507 171 R N 8.406 128.622 120.500 -0.475 0.000 2.505 171 R HA 0.368 4.708 4.340 -0.001 0.000 0.284 171 R C -2.807 173.165 176.300 -0.547 0.000 1.324 171 R CA -1.925 54.002 56.100 -0.288 0.000 1.432 171 R CB 0.462 30.718 30.300 -0.073 0.000 1.107 171 R HN 0.354 nan 8.270 nan 0.000 0.587 172 P HA 0.045 nan 4.420 nan 0.000 0.281 172 P C -0.946 176.107 177.300 -0.411 0.000 1.249 172 P CA -0.167 62.369 63.100 -0.940 0.000 0.810 172 P CB 0.441 31.490 31.700 -1.086 0.000 1.008 173 W N 1.283 122.284 121.300 -0.499 0.000 6.880 173 W HA -0.214 4.445 4.660 -0.001 0.000 0.423 173 W C 1.028 177.624 176.519 0.127 0.000 1.695 173 W CA 0.000 56.937 57.345 -0.681 0.000 1.126 173 W CB -2.660 26.595 29.460 -0.342 0.000 2.925 173 W HN 0.452 nan 8.180 nan 0.000 1.530 174 H N -0.255 118.949 119.070 0.224 0.000 2.508 174 H HA 0.411 4.967 4.556 -0.000 0.000 0.358 174 H C 0.917 176.570 175.328 0.543 0.000 1.212 174 H CA -0.235 56.008 56.048 0.326 0.000 1.356 174 H CB 0.674 30.539 29.762 0.171 0.000 1.525 174 H HN 0.444 nan 8.280 nan 0.000 0.578 175 E N 0.231 120.637 120.200 0.343 0.000 2.360 175 E HA -0.259 4.091 4.350 -0.001 0.000 0.238 175 E C 0.715 177.333 176.600 0.029 0.000 1.186 175 E CA 0.676 57.237 56.400 0.269 0.000 0.719 175 E CB -0.902 29.118 29.700 0.533 0.000 1.236 175 E HN 0.836 nan 8.360 nan 0.000 0.386 176 N N -0.351 118.376 118.700 0.046 0.000 2.396 176 N HA -0.130 4.610 4.740 -0.001 0.000 0.180 176 N C 1.772 177.129 175.510 -0.255 0.000 1.028 176 N CA 1.099 54.092 53.050 -0.095 0.000 0.893 176 N CB -0.097 38.218 38.487 -0.287 0.000 0.967 176 N HN 0.298 nan 8.380 nan 0.000 0.440 177 A N 1.169 123.885 122.820 -0.173 0.000 1.917 177 A HA 0.047 4.367 4.320 -0.001 0.000 0.219 177 A C 1.552 178.966 177.584 -0.284 0.000 1.182 177 A CA 1.558 53.523 52.037 -0.119 0.000 0.633 177 A CB -1.248 17.801 19.000 0.082 0.000 0.819 177 A HN 0.488 nan 8.150 nan 0.000 0.448 178 G N -2.429 106.025 108.800 -0.578 0.000 2.563 178 G HA2 0.421 4.380 3.960 -0.001 0.000 0.283 178 G HA3 0.421 4.380 3.960 -0.001 0.000 0.283 178 G C 0.276 174.535 174.900 -1.068 0.000 1.309 178 G CA 0.388 44.868 45.100 -1.034 0.000 1.022 178 G HN 0.260 nan 8.290 nan 0.000 0.501 179 S N -0.536 114.616 115.700 -0.913 0.000 2.843 179 S HA 0.091 4.561 4.470 -0.001 0.000 0.249 179 S C 0.645 175.070 174.600 -0.291 0.000 1.047 179 S CA -0.489 57.395 58.200 -0.528 0.000 1.042 179 S CB -0.053 62.911 63.200 -0.394 0.000 0.936 179 S HN 0.745 nan 8.310 nan 0.000 0.531 180 W N -0.038 121.081 121.300 -0.301 0.000 3.180 180 W HA 0.545 5.205 4.660 -0.001 0.000 0.254 180 W C -0.512 175.807 176.519 -0.333 0.000 1.318 180 W CA -0.506 56.607 57.345 -0.387 0.000 1.608 180 W CB -0.483 28.636 29.460 -0.568 0.000 1.124 180 W HN 0.001 nan 8.180 nan 0.000 0.694 181 F N 1.174 120.881 119.950 -0.403 0.000 2.538 181 F HA 0.289 4.816 4.527 -0.001 0.000 0.325 181 F C 1.362 176.769 175.800 -0.655 0.000 1.066 181 F CA -2.679 54.873 58.000 -0.745 0.000 0.946 181 F CB 0.366 38.256 39.000 -1.850 0.000 1.199 181 F HN 0.026 nan 8.300 nan 0.000 0.473 182 W N 0.576 121.708 121.300 -0.280 0.000 2.611 182 W HA -0.107 4.552 4.660 -0.001 0.000 0.251 182 W C 0.538 177.103 176.519 0.077 0.000 1.265 182 W CA 0.386 57.595 57.345 -0.225 0.000 1.295 182 W CB -1.059 28.337 29.460 -0.107 0.000 1.129 182 W HN 0.796 nan 8.180 nan 0.000 0.630 183 W N 1.970 123.203 121.300 -0.111 0.000 3.305 183 W HA 0.688 5.348 4.660 0.000 0.000 0.392 183 W C 0.571 177.184 176.519 0.157 0.000 1.121 183 W CA -1.186 56.149 57.345 -0.016 0.000 1.909 183 W CB -0.856 28.411 29.460 -0.321 0.000 1.065 183 W HN -0.165 nan 8.180 nan 0.000 0.714 184 G N 0.491 109.338 108.800 0.079 0.000 2.588 184 G HA2 0.365 4.325 3.960 -0.001 0.000 0.281 184 G HA3 0.365 4.325 3.960 -0.001 0.000 0.281 184 G C 1.037 175.861 174.900 -0.128 0.000 1.236 184 G CA -0.305 44.732 45.100 -0.105 0.000 0.969 184 G HN 0.301 nan 8.290 nan 0.000 0.504 185 A N -0.116 122.543 122.820 -0.268 0.000 1.948 185 A HA 0.058 4.378 4.320 -0.001 0.000 0.220 185 A C 2.534 179.923 177.584 -0.325 0.000 1.177 185 A CA 2.571 54.467 52.037 -0.235 0.000 0.636 185 A CB -0.696 18.174 19.000 -0.218 0.000 0.815 185 A HN 1.393 nan 8.150 nan 0.000 0.449 186 A N -2.249 120.180 122.820 -0.651 0.000 2.235 186 A HA 0.260 4.579 4.320 -0.001 0.000 0.208 186 A C 1.024 178.132 177.584 -0.793 0.000 1.172 186 A CA 0.756 52.331 52.037 -0.770 0.000 0.786 186 A CB -0.467 17.988 19.000 -0.909 0.000 0.804 186 A HN 0.618 nan 8.150 nan 0.000 0.479 187 Y N -1.313 118.996 120.300 0.015 0.000 2.641 187 Y HA 0.496 5.046 4.550 -0.001 0.000 0.248 187 Y C 0.913 176.863 175.900 0.084 0.000 1.170 187 Y CA -0.633 57.502 58.100 0.059 0.000 1.201 187 Y CB 0.272 38.791 38.460 0.099 0.000 1.232 187 Y HN 0.236 nan 8.280 nan 0.000 0.537 188 G N -0.197 108.677 108.800 0.124 0.000 2.556 188 G HA2 0.406 4.366 3.960 -0.001 0.000 0.294 188 G HA3 0.406 4.366 3.960 -0.001 0.000 0.294 188 G C -0.990 173.959 174.900 0.081 0.000 1.516 188 G CA -0.677 44.498 45.100 0.126 0.000 0.824 188 G HN 0.072 nan 8.290 nan 0.000 0.535 189 S N 1.012 116.757 115.700 0.075 0.000 2.624 189 S HA 0.547 5.017 4.470 -0.001 0.000 0.263 189 S C -1.460 173.198 174.600 0.096 0.000 1.287 189 S CA -0.828 57.408 58.200 0.060 0.000 0.990 189 S CB 1.981 65.207 63.200 0.044 0.000 0.950 189 S HN 0.244 nan 8.310 nan 0.000 0.561 190 P HA -0.031 nan 4.420 nan 0.000 0.216 190 P C 1.699 179.081 177.300 0.137 0.000 1.150 190 P CA 1.728 64.894 63.100 0.111 0.000 0.843 190 P CB -0.481 31.260 31.700 0.068 0.000 0.787 191 G N -0.021 108.829 108.800 0.082 0.000 2.421 191 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 191 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 191 G C 1.431 176.366 174.900 0.059 0.000 1.171 191 G CA 0.600 45.733 45.100 0.056 0.000 0.775 191 G HN 0.283 nan 8.290 nan 0.000 0.543 192 E N -0.625 119.619 120.200 0.073 0.000 2.110 192 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 192 E C 2.075 178.714 176.600 0.065 0.000 0.988 192 E CA 1.024 57.461 56.400 0.062 0.000 0.804 192 E CB -0.259 29.486 29.700 0.074 0.000 0.745 192 E HN 0.594 nan 8.360 nan 0.000 0.458 193 Y N 2.080 122.397 120.300 0.029 0.000 2.114 193 Y HA -0.258 4.291 4.550 -0.001 0.000 0.284 193 Y C 2.210 178.126 175.900 0.027 0.000 1.143 193 Y CA 1.903 60.027 58.100 0.040 0.000 1.135 193 Y CB -0.170 38.346 38.460 0.093 0.000 0.980 193 Y HN -0.027 nan 8.280 nan 0.000 0.499 194 Q N -0.111 119.679 119.800 -0.016 0.000 2.077 194 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 194 Q C 2.050 177.930 176.000 -0.200 0.000 0.989 194 Q CA 1.793 57.505 55.803 -0.151 0.000 0.853 194 Q CB -0.218 28.463 28.738 -0.095 0.000 0.907 194 Q HN 0.473 nan 8.270 nan 0.000 0.418 195 E N 0.647 120.792 120.200 -0.092 0.000 2.153 195 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 195 E C 1.985 178.594 176.600 0.014 0.000 0.988 195 E CA 0.611 57.011 56.400 -0.000 0.000 0.811 195 E CB -0.257 29.466 29.700 0.039 0.000 0.746 195 E HN 0.222 nan 8.360 nan 0.000 0.466 196 L N 0.057 121.207 121.223 -0.122 0.000 2.017 196 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 196 L C 2.319 179.108 176.870 -0.135 0.000 1.073 196 L CA 1.705 56.429 54.840 -0.193 0.000 0.745 196 L CB -0.861 40.886 42.059 -0.519 0.000 0.894 196 L HN 0.065 nan 8.230 nan 0.000 0.432 197 Y N 0.378 120.448 120.300 -0.382 0.000 2.145 197 Y HA -0.226 4.324 4.550 -0.001 0.000 0.286 197 Y C 2.730 178.577 175.900 -0.088 0.000 1.145 197 Y CA 1.953 59.970 58.100 -0.138 0.000 1.148 197 Y CB -0.156 38.158 38.460 -0.243 0.000 0.981 197 Y HN 0.151 nan 8.280 nan 0.000 0.507 198 R N -1.118 119.332 120.500 -0.083 0.000 2.091 198 R HA -0.207 4.133 4.340 -0.001 0.000 0.238 198 R C 2.185 178.527 176.300 0.069 0.000 1.136 198 R CA 1.827 57.700 56.100 -0.379 0.000 0.959 198 R CB -0.898 28.847 30.300 -0.926 0.000 0.856 198 R HN 0.415 nan 8.270 nan 0.000 0.437 199 F N 1.746 121.775 119.950 0.131 0.000 2.216 199 F HA -0.168 4.359 4.527 -0.001 0.000 0.300 199 F C 1.878 177.838 175.800 0.266 0.000 1.085 199 F CA 1.498 59.668 58.000 0.283 0.000 1.326 199 F CB -0.326 38.888 39.000 0.356 0.000 1.027 199 F HN -0.125 nan 8.300 nan 0.000 0.497 200 T N 0.147 114.746 114.554 0.076 0.000 2.701 200 T HA -0.158 4.192 4.350 -0.001 0.000 0.263 200 T C 2.217 176.926 174.700 0.015 0.000 1.040 200 T CA 1.768 63.911 62.100 0.071 0.000 1.147 200 T CB -0.766 68.275 68.868 0.289 0.000 0.865 200 T HN 0.122 nan 8.240 nan 0.000 0.426 201 V N 1.824 121.721 119.914 -0.028 0.000 2.287 201 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 201 V C 2.502 178.541 176.094 -0.091 0.000 1.053 201 V CA 1.882 64.073 62.300 -0.180 0.000 1.027 201 V CB -0.669 31.069 31.823 -0.142 0.000 0.646 201 V HN 0.585 nan 8.190 nan 0.000 0.447 202 E N -1.117 119.094 120.200 0.018 0.000 2.110 202 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 202 E C 2.123 178.653 176.600 -0.116 0.000 0.988 202 E CA 1.591 58.001 56.400 0.017 0.000 0.804 202 E CB -0.285 29.515 29.700 0.166 0.000 0.745 202 E HN 0.741 nan 8.360 nan 0.000 0.458 203 Y N 1.501 121.568 120.300 -0.389 0.000 2.181 203 Y HA -0.176 4.373 4.550 -0.000 0.000 0.288 203 Y C 1.893 177.657 175.900 -0.228 0.000 1.146 203 Y CA 1.366 59.206 58.100 -0.434 0.000 1.164 203 Y CB -0.072 37.903 38.460 -0.808 0.000 0.982 203 Y HN -0.071 nan 8.280 nan 0.000 0.515 204 L N -0.471 120.653 121.223 -0.165 0.000 2.044 204 L HA -0.132 4.208 4.340 -0.001 0.000 0.205 204 L C 2.721 179.480 176.870 -0.184 0.000 1.075 204 L CA 1.582 56.318 54.840 -0.174 0.000 0.747 204 L CB -0.553 41.511 42.059 0.008 0.000 0.903 204 L HN 0.093 nan 8.230 nan 0.000 0.435 205 R N 0.338 120.788 120.500 -0.082 0.000 2.056 205 R HA -0.135 4.204 4.340 -0.001 0.000 0.227 205 R C 1.937 178.170 176.300 -0.112 0.000 1.149 205 R CA 1.906 57.972 56.100 -0.057 0.000 0.937 205 R CB -0.144 30.150 30.300 -0.011 0.000 0.835 205 R HN 0.278 nan 8.270 nan 0.000 0.430 206 D N -0.113 120.220 120.400 -0.112 0.000 2.123 206 D HA -0.098 4.542 4.640 -0.001 0.000 0.200 206 D C 1.997 178.197 176.300 -0.166 0.000 0.976 206 D CA 1.130 55.067 54.000 -0.105 0.000 0.831 206 D CB -0.003 40.765 40.800 -0.054 0.000 0.974 206 D HN 0.166 nan 8.370 nan 0.000 0.469 207 V N 1.081 120.823 119.914 -0.286 0.000 2.426 207 V HA -0.065 4.055 4.120 -0.001 0.000 0.242 207 V C 2.061 177.907 176.094 -0.413 0.000 1.036 207 V CA 1.045 63.117 62.300 -0.380 0.000 1.044 207 V CB -0.125 31.333 31.823 -0.607 0.000 0.688 207 V HN 0.007 nan 8.190 nan 0.000 0.462 208 K N 0.277 120.377 120.400 -0.500 0.000 2.361 208 K HA 0.232 4.551 4.320 -0.001 0.000 0.196 208 K C 1.642 178.083 176.600 -0.264 0.000 1.039 208 K CA 0.856 56.913 56.287 -0.384 0.000 1.001 208 K CB -0.192 32.061 32.500 -0.411 0.000 0.795 208 K HN 0.560 nan 8.250 nan 0.000 0.495 209 G N 1.487 110.148 108.800 -0.231 0.000 2.148 209 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.254 209 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.254 209 G C 0.265 175.051 174.900 -0.190 0.000 0.981 209 G CA 0.306 45.301 45.100 -0.175 0.000 0.670 209 G HN 0.107 nan 8.290 nan 0.000 0.528 210 V N 0.998 120.756 119.914 -0.260 0.000 2.752 210 V HA 0.314 4.433 4.120 -0.001 0.000 0.306 210 V C 1.489 177.451 176.094 -0.220 0.000 1.099 210 V CA 1.638 63.723 62.300 -0.358 0.000 1.240 210 V CB 1.325 32.773 31.823 -0.625 0.000 0.887 210 V HN 1.188 nan 8.190 nan 0.000 0.499 211 S N 0.777 116.360 115.700 -0.195 0.000 2.847 211 S HA 0.099 4.568 4.470 -0.001 0.000 0.254 211 S C 0.495 175.074 174.600 -0.035 0.000 1.039 211 S CA -0.087 58.066 58.200 -0.078 0.000 1.113 211 S CB -0.049 63.113 63.200 -0.063 0.000 1.092 211 S HN 0.870 nan 8.310 nan 0.000 0.620 212 N N 0.898 119.558 118.700 -0.066 0.000 2.480 212 N HA 0.314 5.054 4.740 -0.001 0.000 0.281 212 N C -1.287 174.382 175.510 0.265 0.000 1.381 212 N CA -0.355 52.723 53.050 0.047 0.000 0.903 212 N CB -0.167 38.317 38.487 -0.004 0.000 1.274 212 N HN 0.206 nan 8.380 nan 0.000 0.505 213 F N 0.660 120.544 119.950 -0.110 0.000 2.520 213 F HA 0.563 5.090 4.527 -0.001 0.000 0.322 213 F C -0.164 175.517 175.800 -0.198 0.000 1.103 213 F CA -1.476 56.369 58.000 -0.258 0.000 0.926 213 F CB 1.862 40.519 39.000 -0.572 0.000 1.154 213 F HN -0.102 nan 8.300 nan 0.000 0.453 214 L N 4.558 125.762 121.223 -0.031 0.000 2.325 214 L HA 0.407 4.746 4.340 -0.001 0.000 0.281 214 L C -1.164 175.724 176.870 0.030 0.000 1.004 214 L CA -0.958 53.948 54.840 0.111 0.000 0.823 214 L CB 1.389 43.543 42.059 0.158 0.000 1.236 214 L HN 0.444 nan 8.230 nan 0.000 0.415 215 Y N 2.019 122.509 120.300 0.316 0.000 2.316 215 Y HA 0.526 5.075 4.550 -0.001 0.000 0.331 215 Y C 0.613 176.759 175.900 0.411 0.000 1.083 215 Y CA -0.368 57.965 58.100 0.388 0.000 1.206 215 Y CB 1.267 40.010 38.460 0.472 0.000 1.195 215 Y HN 0.579 nan 8.280 nan 0.000 0.497 216 A N 3.540 126.665 122.820 0.508 0.000 2.355 216 A HA 0.687 5.006 4.320 -0.001 0.000 0.324 216 A C -1.936 176.017 177.584 0.615 0.000 1.117 216 A CA -0.648 51.674 52.037 0.475 0.000 0.785 216 A CB 0.743 19.939 19.000 0.327 0.000 1.254 216 A HN 0.863 nan 8.150 nan 0.000 0.453 217 W N 1.713 123.219 121.300 0.344 0.000 2.830 217 W HA 0.599 5.259 4.660 -0.001 0.000 0.335 217 W C -0.312 176.360 176.519 0.256 0.000 1.043 217 W CA -0.400 57.121 57.345 0.293 0.000 1.239 217 W CB 1.687 31.180 29.460 0.055 0.000 1.378 217 W HN 1.013 nan 8.180 nan 0.000 0.456 218 G N 7.280 115.791 108.800 -0.482 0.000 2.954 218 G HA2 0.289 4.249 3.960 -0.001 0.000 0.290 218 G HA3 0.289 4.249 3.960 -0.001 0.000 0.290 218 G C -1.840 172.761 174.900 -0.499 0.000 1.574 218 G CA -1.178 43.625 45.100 -0.495 0.000 1.088 218 G HN 0.330 nan 8.290 nan 0.000 0.557 219 P HA -0.011 nan 4.420 nan 0.000 0.218 219 P C 1.166 178.526 177.300 0.101 0.000 1.148 219 P CA 2.014 64.900 63.100 -0.357 0.000 0.822 219 P CB 0.860 32.293 31.700 -0.444 0.000 0.784 220 G N -1.702 107.274 108.800 0.292 0.000 2.530 220 G HA2 0.418 4.378 3.960 -0.001 0.000 0.081 220 G HA3 0.418 4.378 3.960 -0.001 0.000 0.081 220 G C -0.819 174.293 174.900 0.353 0.000 1.062 220 G CA -0.052 45.251 45.100 0.340 0.000 1.108 220 G HN 0.549 nan 8.290 nan 0.000 0.466 221 G N -2.265 106.478 108.800 -0.095 0.000 2.550 221 G HA2 0.690 4.650 3.960 -0.001 0.000 0.293 221 G HA3 0.690 4.650 3.960 -0.001 0.000 0.293 221 G C 0.547 175.052 174.900 -0.657 0.000 1.402 221 G CA 1.149 46.123 45.100 -0.210 0.000 0.784 221 G HN 2.420 nan 8.290 nan 0.000 0.482 222 G N -1.452 107.158 108.800 -0.316 0.000 2.324 222 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.292 222 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.292 222 G C 0.314 175.007 174.900 -0.344 0.000 1.079 222 G CA 0.712 45.677 45.100 -0.225 0.000 1.026 222 G HN 0.904 nan 8.290 nan 0.000 0.506 223 F N -0.047 119.936 119.950 0.056 0.000 2.746 223 F HA 0.377 4.903 4.527 -0.000 0.000 0.297 223 F C 2.169 177.983 175.800 0.023 0.000 1.113 223 F CA 0.522 58.556 58.000 0.058 0.000 1.367 223 F CB 0.441 39.491 39.000 0.083 0.000 1.111 223 F HN 0.883 nan 8.300 nan 0.000 0.590 224 G N 0.451 109.328 108.800 0.128 0.000 2.179 224 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.257 224 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.257 224 G C 1.275 176.209 174.900 0.057 0.000 1.010 224 G CA 0.308 45.448 45.100 0.066 0.000 0.736 224 G HN 1.169 nan 8.290 nan 0.000 0.513 225 G N -0.924 107.918 108.800 0.070 0.000 2.160 225 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.251 225 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.251 225 G C 0.224 175.129 174.900 0.008 0.000 1.008 225 G CA 0.784 45.883 45.100 -0.001 0.000 0.724 225 G HN 1.498 nan 8.290 nan 0.000 0.514 226 N N 0.405 119.152 118.700 0.078 0.000 2.448 226 N HA 0.221 4.961 4.740 -0.001 0.000 0.250 226 N C 1.714 177.256 175.510 0.054 0.000 1.136 226 N CA -0.257 52.838 53.050 0.075 0.000 0.953 226 N CB 0.138 38.700 38.487 0.125 0.000 1.251 226 N HN 0.474 nan 8.380 nan 0.000 0.502 227 R N 2.222 122.729 120.500 0.013 0.000 2.113 227 R HA -0.171 4.169 4.340 -0.001 0.000 0.244 227 R C 0.726 177.064 176.300 0.064 0.000 1.142 227 R CA 1.831 57.942 56.100 0.018 0.000 0.953 227 R CB 0.100 30.398 30.300 -0.003 0.000 0.860 227 R HN 0.619 nan 8.270 nan 0.000 0.438 228 D N -0.180 120.252 120.400 0.053 0.000 2.127 228 D HA -0.178 4.461 4.640 -0.001 0.000 0.190 228 D C 1.988 178.332 176.300 0.075 0.000 1.000 228 D CA 1.671 55.705 54.000 0.057 0.000 0.839 228 D CB -0.444 40.387 40.800 0.052 0.000 0.955 228 D HN 0.087 nan 8.370 nan 0.000 0.446 229 V N 0.686 120.663 119.914 0.105 0.000 2.261 229 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 229 V C 2.277 178.429 176.094 0.096 0.000 1.047 229 V CA 1.600 63.986 62.300 0.144 0.000 1.015 229 V CB -0.877 31.094 31.823 0.247 0.000 0.642 229 V HN 0.129 nan 8.190 nan 0.000 0.446 230 Y N 0.902 121.082 120.300 -0.200 0.000 2.030 230 Y HA -0.297 4.252 4.550 -0.001 0.000 0.272 230 Y C 2.186 178.043 175.900 -0.071 0.000 1.185 230 Y CA 2.022 59.781 58.100 -0.570 0.000 1.120 230 Y CB -0.424 37.647 38.460 -0.649 0.000 0.955 230 Y HN 0.150 nan 8.280 nan 0.000 0.495 231 L N -0.118 121.104 121.223 -0.001 0.000 2.376 231 L HA -0.107 4.233 4.340 -0.001 0.000 0.219 231 L C 2.508 179.382 176.870 0.006 0.000 1.133 231 L CA 1.008 55.826 54.840 -0.038 0.000 0.816 231 L CB -0.525 41.514 42.059 -0.033 0.000 0.933 231 L HN 0.167 nan 8.230 nan 0.000 0.449 232 R N -0.071 120.450 120.500 0.035 0.000 2.204 232 R HA -0.214 4.126 4.340 -0.001 0.000 0.253 232 R C 1.830 178.160 176.300 0.050 0.000 1.172 232 R CA 2.013 58.141 56.100 0.047 0.000 0.994 232 R CB -0.181 30.154 30.300 0.058 0.000 0.874 232 R HN 0.162 nan 8.270 nan 0.000 0.462 233 T N -0.811 113.790 114.554 0.079 0.000 3.037 233 T HA 0.001 4.351 4.350 -0.001 0.000 0.251 233 T C -0.592 174.076 174.700 -0.053 0.000 1.079 233 T CA -0.253 61.917 62.100 0.117 0.000 1.067 233 T CB -0.086 68.882 68.868 0.166 0.000 0.948 233 T HN 0.221 nan 8.240 nan 0.000 0.496 234 Y N 3.483 123.439 120.300 -0.573 0.000 2.910 234 Y HA -0.020 4.530 4.550 -0.001 0.000 0.358 234 Y C -1.940 173.539 175.900 -0.703 0.000 1.293 234 Y CA -2.182 55.232 58.100 -1.143 0.000 1.630 234 Y CB 0.650 38.648 38.460 -0.770 0.000 1.178 234 Y HN 0.108 nan 8.280 nan 0.000 0.550 235 P HA 0.083 nan 4.420 nan 0.000 0.226 235 P C -0.139 176.721 177.300 -0.733 0.000 1.153 235 P CA 1.662 64.255 63.100 -0.844 0.000 0.777 235 P CB 0.072 31.211 31.700 -0.933 0.000 0.794 236 G N -0.345 107.614 108.800 -1.401 0.000 2.617 236 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.686 236 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.686 236 G C 0.041 174.567 174.900 -0.624 0.000 1.214 236 G CA -0.335 44.243 45.100 -0.870 0.000 0.796 236 G HN -0.059 nan 8.290 nan 0.000 0.654 237 D N 0.267 120.574 120.400 -0.155 0.000 2.228 237 D HA -0.120 4.520 4.640 -0.001 0.000 0.203 237 D C 2.396 178.643 176.300 -0.089 0.000 0.988 237 D CA 1.858 55.877 54.000 0.031 0.000 0.864 237 D CB -0.127 40.736 40.800 0.106 0.000 0.928 237 D HN 1.002 nan 8.370 nan 0.000 0.469 238 A N -0.939 121.729 122.820 -0.253 0.000 2.302 238 A HA 0.151 4.471 4.320 -0.001 0.000 0.219 238 A C 0.886 177.916 177.584 -0.923 0.000 1.243 238 A CA 0.041 51.761 52.037 -0.528 0.000 0.856 238 A CB -0.324 18.292 19.000 -0.640 0.000 0.893 238 A HN 0.106 nan 8.150 nan 0.000 0.491 239 F N -2.076 117.809 119.950 -0.109 0.000 2.876 239 F HA 0.257 4.784 4.527 -0.000 0.000 0.344 239 F C 0.129 175.985 175.800 0.093 0.000 1.029 239 F CA -0.152 57.816 58.000 -0.053 0.000 1.154 239 F CB 0.858 39.794 39.000 -0.107 0.000 1.040 239 F HN -0.101 nan 8.300 nan 0.000 0.576 240 V N 0.966 120.985 119.914 0.174 0.000 2.540 240 V HA 0.302 4.421 4.120 -0.001 0.000 0.302 240 V C -0.168 176.117 176.094 0.318 0.000 1.035 240 V CA -0.613 61.871 62.300 0.307 0.000 0.873 240 V CB 2.021 34.010 31.823 0.277 0.000 0.992 240 V HN 0.019 nan 8.190 nan 0.000 0.428 241 D N 1.960 122.588 120.400 0.380 0.000 2.431 241 D HA 0.126 4.765 4.640 -0.001 0.000 0.235 241 D C 0.216 176.701 176.300 0.308 0.000 0.980 241 D CA 1.109 55.298 54.000 0.315 0.000 0.912 241 D CB 1.179 42.172 40.800 0.322 0.000 1.056 241 D HN 0.338 nan 8.370 nan 0.000 0.494 242 V N 2.509 122.638 119.914 0.358 0.000 2.409 242 V HA 0.311 4.430 4.120 -0.001 0.000 0.291 242 V C -0.076 176.243 176.094 0.374 0.000 1.020 242 V CA -0.631 61.868 62.300 0.331 0.000 0.848 242 V CB 2.215 34.239 31.823 0.336 0.000 0.990 242 V HN -0.009 nan 8.190 nan 0.000 0.430 243 L N 4.961 126.381 121.223 0.327 0.000 2.257 243 L HA 0.681 5.021 4.340 -0.001 0.000 0.290 243 L C 0.894 177.910 176.870 0.242 0.000 1.044 243 L CA 0.017 55.090 54.840 0.389 0.000 0.810 243 L CB 1.043 43.325 42.059 0.372 0.000 1.193 243 L HN 0.782 nan 8.230 nan 0.000 0.425 244 G N 3.899 112.819 108.800 0.200 0.000 2.613 244 G HA2 0.689 4.649 3.960 -0.001 0.000 0.303 244 G HA3 0.689 4.649 3.960 -0.001 0.000 0.303 244 G C -1.339 173.639 174.900 0.130 0.000 1.312 244 G CA -0.418 44.752 45.100 0.118 0.000 1.036 244 G HN 0.333 nan 8.290 nan 0.000 0.513 245 L N 0.374 121.687 121.223 0.150 0.000 2.565 245 L HA 0.479 4.818 4.340 -0.001 0.000 0.261 245 L C -1.994 175.062 176.870 0.311 0.000 0.932 245 L CA -0.623 54.332 54.840 0.191 0.000 0.878 245 L CB 2.017 44.067 42.059 -0.014 0.000 1.333 245 L HN 0.452 nan 8.230 nan 0.000 0.409 246 D N 2.756 123.366 120.400 0.350 0.000 2.425 246 D HA 0.711 5.350 4.640 -0.001 0.000 0.240 246 D C -0.815 175.735 176.300 0.417 0.000 1.080 246 D CA 0.228 54.479 54.000 0.419 0.000 0.836 246 D CB 2.025 43.068 40.800 0.406 0.000 1.125 246 D HN 0.424 nan 8.370 nan 0.000 0.525 247 T N 2.057 116.910 114.554 0.498 0.000 3.109 247 T HA 0.324 4.674 4.350 -0.001 0.000 0.311 247 T C -1.207 173.702 174.700 0.348 0.000 1.011 247 T CA -0.531 61.846 62.100 0.461 0.000 1.026 247 T CB 0.413 69.577 68.868 0.493 0.000 1.047 247 T HN 0.070 nan 8.240 nan 0.000 0.448 248 Y N 1.707 122.140 120.300 0.221 0.000 2.429 248 Y HA 0.682 5.232 4.550 -0.000 0.000 0.342 248 Y C 0.228 176.099 175.900 -0.048 0.000 1.004 248 Y CA -1.044 57.113 58.100 0.094 0.000 1.075 248 Y CB 1.801 40.240 38.460 -0.034 0.000 1.214 248 Y HN 0.686 nan 8.280 nan 0.000 0.455 249 D N -0.494 119.872 120.400 -0.057 0.000 2.570 249 D HA 0.593 5.232 4.640 -0.001 0.000 0.244 249 D C -0.975 175.129 176.300 -0.326 0.000 1.178 249 D CA -0.669 53.125 54.000 -0.343 0.000 0.881 249 D CB 1.741 41.780 40.800 -1.268 0.000 1.453 249 D HN 0.355 nan 8.370 nan 0.000 0.447 250 S N -0.110 115.436 115.700 -0.257 0.000 2.828 250 S HA 0.232 4.702 4.470 -0.001 0.000 0.240 250 S C 0.385 174.920 174.600 -0.108 0.000 0.912 250 S CA 0.198 58.239 58.200 -0.264 0.000 1.100 250 S CB -0.278 62.765 63.200 -0.262 0.000 1.271 250 S HN 0.592 nan 8.310 nan 0.000 0.476 251 T N -3.750 110.799 114.554 -0.009 0.000 3.029 251 T HA 0.452 4.802 4.350 -0.001 0.000 0.256 251 T C 1.710 176.501 174.700 0.151 0.000 0.914 251 T CA 0.812 62.943 62.100 0.052 0.000 0.880 251 T CB -0.269 68.621 68.868 0.036 0.000 1.246 251 T HN 1.433 nan 8.240 nan 0.000 0.523 252 G N 2.403 111.357 108.800 0.257 0.000 2.200 252 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.267 252 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.267 252 G C 0.399 175.425 174.900 0.211 0.000 0.993 252 G CA 0.961 46.211 45.100 0.250 0.000 0.701 252 G HN 1.594 nan 8.290 nan 0.000 0.524 253 S N -0.484 115.350 115.700 0.223 0.000 2.569 253 S HA 0.270 4.740 4.470 -0.001 0.000 0.274 253 S C 1.204 175.897 174.600 0.156 0.000 1.353 253 S CA 0.529 58.827 58.200 0.164 0.000 1.023 253 S CB 1.039 64.331 63.200 0.152 0.000 0.876 253 S HN 0.191 nan 8.310 nan 0.000 0.540 254 D N 1.849 122.295 120.400 0.078 0.000 2.144 254 D HA -0.031 4.609 4.640 -0.001 0.000 0.200 254 D C 2.288 178.598 176.300 0.016 0.000 0.978 254 D CA 1.560 55.575 54.000 0.026 0.000 0.833 254 D CB -0.903 39.902 40.800 0.008 0.000 0.961 254 D HN 0.713 nan 8.370 nan 0.000 0.470 255 A N 1.356 124.207 122.820 0.052 0.000 1.873 255 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 255 A C 2.099 179.721 177.584 0.064 0.000 1.193 255 A CA 1.472 53.539 52.037 0.049 0.000 0.629 255 A CB -1.138 17.904 19.000 0.070 0.000 0.826 255 A HN 0.268 nan 8.150 nan 0.000 0.447 256 F N 0.722 120.684 119.950 0.020 0.000 2.069 256 F HA -0.186 4.340 4.527 -0.000 0.000 0.298 256 F C 1.889 177.698 175.800 0.015 0.000 1.113 256 F CA 1.923 59.944 58.000 0.035 0.000 1.214 256 F CB -0.744 38.300 39.000 0.072 0.000 0.978 256 F HN 0.146 nan 8.300 nan 0.000 0.474 257 L N 0.268 121.159 121.223 -0.552 0.000 2.042 257 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 257 L C 2.862 179.487 176.870 -0.408 0.000 1.076 257 L CA 1.339 55.790 54.840 -0.647 0.000 0.749 257 L CB -1.300 40.586 42.059 -0.289 0.000 0.893 257 L HN 0.346 nan 8.230 nan 0.000 0.432 258 A N 0.233 122.914 122.820 -0.232 0.000 1.877 258 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 258 A C 2.414 179.898 177.584 -0.166 0.000 1.186 258 A CA 1.859 53.801 52.037 -0.157 0.000 0.620 258 A CB -1.322 17.626 19.000 -0.088 0.000 0.822 258 A HN 0.450 nan 8.150 nan 0.000 0.443 259 G N -0.428 108.274 108.800 -0.162 0.000 2.418 259 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 259 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 259 G C 1.507 176.301 174.900 -0.177 0.000 1.158 259 G CA 1.163 46.193 45.100 -0.118 0.000 0.771 259 G HN 0.475 nan 8.290 nan 0.000 0.545 260 L N 0.744 121.762 121.223 -0.342 0.000 2.046 260 L HA 0.006 4.346 4.340 -0.001 0.000 0.208 260 L C 2.874 179.575 176.870 -0.281 0.000 1.077 260 L CA 1.338 55.969 54.840 -0.349 0.000 0.747 260 L CB -0.396 41.312 42.059 -0.586 0.000 0.896 260 L HN 0.070 nan 8.230 nan 0.000 0.432 261 V N -0.106 119.653 119.914 -0.259 0.000 2.490 261 V HA -0.266 3.853 4.120 -0.001 0.000 0.250 261 V C 2.703 178.703 176.094 -0.158 0.000 1.061 261 V CA 1.450 63.636 62.300 -0.191 0.000 1.064 261 V CB -1.102 30.624 31.823 -0.162 0.000 0.670 261 V HN 0.612 nan 8.190 nan 0.000 0.461 262 A N -0.111 122.624 122.820 -0.141 0.000 1.873 262 A HA -0.221 4.099 4.320 -0.001 0.000 0.215 262 A C 1.987 179.502 177.584 -0.116 0.000 1.186 262 A CA 1.993 53.967 52.037 -0.106 0.000 0.616 262 A CB -0.599 18.357 19.000 -0.073 0.000 0.823 262 A HN 0.509 nan 8.150 nan 0.000 0.442 263 D N -0.053 120.275 120.400 -0.120 0.000 2.117 263 D HA -0.087 4.553 4.640 -0.001 0.000 0.197 263 D C 1.920 178.089 176.300 -0.220 0.000 0.987 263 D CA 0.892 54.816 54.000 -0.127 0.000 0.829 263 D CB -0.241 40.524 40.800 -0.058 0.000 0.961 263 D HN 0.401 nan 8.370 nan 0.000 0.460 264 L N 0.549 121.623 121.223 -0.248 0.000 2.046 264 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 264 L C 2.441 179.203 176.870 -0.180 0.000 1.077 264 L CA 1.173 55.860 54.840 -0.256 0.000 0.747 264 L CB -0.365 41.534 42.059 -0.267 0.000 0.896 264 L HN 0.126 nan 8.230 nan 0.000 0.432 265 R N -0.137 120.272 120.500 -0.151 0.000 2.189 265 R HA -0.135 4.205 4.340 -0.001 0.000 0.218 265 R C 2.119 178.341 176.300 -0.130 0.000 1.074 265 R CA 0.938 56.968 56.100 -0.118 0.000 0.991 265 R CB -0.404 29.837 30.300 -0.097 0.000 0.883 265 R HN 0.341 nan 8.270 nan 0.000 0.457 266 M N 2.424 121.923 119.600 -0.169 0.000 2.101 266 M HA -0.095 4.385 4.480 -0.001 0.000 0.259 266 M C 2.423 178.578 176.300 -0.242 0.000 1.083 266 M CA 1.947 57.125 55.300 -0.203 0.000 1.114 266 M CB -0.194 32.249 32.600 -0.262 0.000 1.281 266 M HN 0.276 nan 8.290 nan 0.000 0.422 267 I N -0.284 120.077 120.570 -0.348 0.000 2.229 267 I HA -0.250 3.920 4.170 -0.001 0.000 0.250 267 I C 2.318 178.355 176.117 -0.132 0.000 1.096 267 I CA 1.842 62.961 61.300 -0.301 0.000 1.358 267 I CB -1.270 36.560 38.000 -0.283 0.000 1.047 267 I HN 0.398 nan 8.210 nan 0.000 0.422 268 A N 1.229 123.979 122.820 -0.117 0.000 1.902 268 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 268 A C 2.215 179.770 177.584 -0.050 0.000 1.181 268 A CA 1.969 53.968 52.037 -0.064 0.000 0.623 268 A CB -0.682 18.282 19.000 -0.060 0.000 0.818 268 A HN 0.656 nan 8.150 nan 0.000 0.443 269 E N -0.389 119.771 120.200 -0.068 0.000 2.015 269 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 269 E C 1.860 178.434 176.600 -0.043 0.000 0.991 269 E CA 1.289 57.658 56.400 -0.051 0.000 0.802 269 E CB -0.354 29.310 29.700 -0.060 0.000 0.759 269 E HN 0.614 nan 8.360 nan 0.000 0.447 270 I N 1.605 122.138 120.570 -0.061 0.000 2.185 270 I HA -0.355 3.815 4.170 -0.001 0.000 0.246 270 I C 2.473 178.580 176.117 -0.015 0.000 1.088 270 I CA 1.452 62.723 61.300 -0.048 0.000 1.347 270 I CB -0.379 37.586 38.000 -0.058 0.000 1.041 270 I HN 0.110 nan 8.210 nan 0.000 0.415 271 A N 0.236 123.057 122.820 0.002 0.000 1.865 271 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 271 A C 2.070 179.673 177.584 0.032 0.000 1.191 271 A CA 2.238 54.298 52.037 0.038 0.000 0.623 271 A CB -0.791 18.235 19.000 0.044 0.000 0.826 271 A HN 0.417 nan 8.150 nan 0.000 0.444 272 D N -0.226 120.183 120.400 0.014 0.000 2.104 272 D HA -0.167 4.473 4.640 -0.001 0.000 0.194 272 D C 1.932 178.241 176.300 0.015 0.000 0.994 272 D CA 1.680 55.688 54.000 0.014 0.000 0.830 272 D CB -0.468 40.334 40.800 0.002 0.000 0.959 272 D HN 0.684 nan 8.370 nan 0.000 0.452 273 E N 0.804 121.008 120.200 0.007 0.000 2.077 273 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 273 E C 1.873 178.485 176.600 0.021 0.000 0.989 273 E CA 0.839 57.243 56.400 0.008 0.000 0.800 273 E CB -0.077 29.622 29.700 -0.003 0.000 0.746 273 E HN 0.234 nan 8.360 nan 0.000 0.452 274 K N -0.301 120.117 120.400 0.029 0.000 2.459 274 K HA 0.042 4.361 4.320 -0.001 0.000 0.193 274 K C 0.806 177.444 176.600 0.064 0.000 1.030 274 K CA 0.434 56.752 56.287 0.053 0.000 1.026 274 K CB 0.404 32.946 32.500 0.069 0.000 0.809 274 K HN 0.248 nan 8.250 nan 0.000 0.504 275 G N 2.203 111.036 108.800 0.054 0.000 2.246 275 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.273 275 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.273 275 G C -0.342 174.605 174.900 0.079 0.000 1.055 275 G CA 0.539 45.673 45.100 0.058 0.000 0.851 275 G HN 0.275 nan 8.290 nan 0.000 0.500 276 K N -1.674 118.781 120.400 0.091 0.000 2.208 276 K HA 0.772 5.092 4.320 -0.001 0.000 0.241 276 K C -0.172 176.497 176.600 0.115 0.000 1.087 276 K CA -1.023 55.337 56.287 0.122 0.000 0.883 276 K CB 1.849 34.446 32.500 0.162 0.000 1.360 276 K HN 0.043 nan 8.250 nan 0.000 0.496 277 V N 1.236 121.237 119.914 0.145 0.000 2.630 277 V HA 0.379 4.499 4.120 -0.001 0.000 0.305 277 V C -0.398 175.776 176.094 0.134 0.000 1.046 277 V CA -0.544 61.837 62.300 0.135 0.000 0.934 277 V CB 1.566 33.489 31.823 0.168 0.000 1.003 277 V HN 0.917 nan 8.190 nan 0.000 0.451 278 S N 2.420 118.170 115.700 0.084 0.000 2.526 278 S HA 0.962 5.432 4.470 -0.001 0.000 0.293 278 S C -0.674 173.912 174.600 -0.024 0.000 1.092 278 S CA -0.223 58.005 58.200 0.048 0.000 0.980 278 S CB 2.115 65.323 63.200 0.014 0.000 1.048 278 S HN 1.541 nan 8.310 nan 0.000 0.483 279 A N 1.581 124.343 122.820 -0.096 0.000 2.606 279 A HA 0.721 5.040 4.320 -0.001 0.000 0.293 279 A C -1.447 176.053 177.584 -0.140 0.000 1.082 279 A CA -0.669 51.201 52.037 -0.277 0.000 0.685 279 A CB 0.993 19.441 19.000 -0.920 0.000 1.284 279 A HN 0.958 nan 8.150 nan 0.000 0.408 280 F N 3.011 122.807 119.950 -0.256 0.000 2.567 280 F HA 0.262 4.788 4.527 -0.001 0.000 0.352 280 F C 1.917 177.682 175.800 -0.058 0.000 1.229 280 F CA -0.125 57.821 58.000 -0.091 0.000 1.228 280 F CB -0.162 38.793 39.000 -0.075 0.000 1.568 280 F HN 0.665 nan 8.300 nan 0.000 0.634 281 T N -0.350 114.342 114.554 0.230 0.000 2.849 281 T HA -0.106 4.244 4.350 -0.001 0.000 0.270 281 T C 0.493 175.388 174.700 0.325 0.000 1.066 281 T CA 1.083 63.317 62.100 0.223 0.000 1.130 281 T CB -0.028 68.966 68.868 0.210 0.000 0.864 281 T HN 0.517 nan 8.240 nan 0.000 0.481 282 E N -0.028 120.394 120.200 0.370 0.000 2.321 282 E HA 0.548 4.897 4.350 -0.001 0.000 0.281 282 E C -1.579 175.075 176.600 0.090 0.000 0.910 282 E CA -0.972 55.582 56.400 0.256 0.000 0.770 282 E CB 2.311 32.179 29.700 0.279 0.000 1.225 282 E HN 0.394 nan 8.360 nan 0.000 0.417 283 F N 0.307 119.950 119.950 -0.512 0.000 2.741 283 F HA 0.868 5.395 4.527 -0.001 0.000 0.313 283 F C -0.551 174.850 175.800 -0.667 0.000 1.153 283 F CA -0.220 57.333 58.000 -0.744 0.000 0.931 283 F CB 1.468 39.789 39.000 -1.131 0.000 1.335 283 F HN 0.605 nan 8.300 nan 0.000 0.460 284 G N 0.420 108.843 108.800 -0.628 0.000 2.333 284 G HA2 0.406 4.366 3.960 -0.001 0.000 0.330 284 G HA3 0.406 4.366 3.960 -0.001 0.000 0.330 284 G C -1.982 172.562 174.900 -0.593 0.000 1.465 284 G CA -0.510 44.235 45.100 -0.591 0.000 0.996 284 G HN 1.121 nan 8.290 nan 0.000 0.655 285 V N 1.162 120.415 119.914 -1.102 0.000 2.599 285 V HA 0.317 4.437 4.120 -0.001 0.000 0.300 285 V C 1.240 177.127 176.094 -0.345 0.000 1.034 285 V CA 0.260 61.892 62.300 -1.113 0.000 1.115 285 V CB 1.155 32.266 31.823 -1.187 0.000 0.934 285 V HN 0.888 nan 8.190 nan 0.000 0.485 286 S N 3.756 119.296 115.700 -0.268 0.000 2.552 286 S HA 0.347 4.816 4.470 -0.001 0.000 0.289 286 S C 1.381 175.840 174.600 -0.235 0.000 1.304 286 S CA 0.370 58.486 58.200 -0.142 0.000 1.063 286 S CB 0.565 63.667 63.200 -0.163 0.000 0.848 286 S HN 1.624 nan 8.310 nan 0.000 0.499 287 G N 1.968 110.653 108.800 -0.191 0.000 2.168 287 G HA2 0.041 4.001 3.960 -0.001 0.000 0.263 287 G HA3 0.041 4.001 3.960 -0.001 0.000 0.263 287 G C 0.799 175.381 174.900 -0.530 0.000 0.977 287 G CA 0.291 45.243 45.100 -0.247 0.000 0.659 287 G HN 1.909 nan 8.290 nan 0.000 0.533 288 G N -2.485 105.773 108.800 -0.903 0.000 2.698 288 G HA2 0.147 4.106 3.960 -0.001 0.000 0.225 288 G HA3 0.147 4.106 3.960 -0.001 0.000 0.225 288 G C 0.395 174.789 174.900 -0.843 0.000 1.345 288 G CA 0.555 44.742 45.100 -1.521 0.000 0.871 288 G HN 1.665 nan 8.290 nan 0.000 0.540 289 V N 1.427 120.854 119.914 -0.812 0.000 3.176 289 V HA 0.639 4.759 4.120 -0.001 0.000 0.332 289 V C 1.279 177.049 176.094 -0.540 0.000 1.414 289 V CA 1.685 63.649 62.300 -0.560 0.000 1.133 289 V CB -0.419 31.168 31.823 -0.394 0.000 1.088 289 V HN 1.800 nan 8.190 nan 0.000 0.473 290 G N -1.053 107.362 108.800 -0.641 0.000 2.887 290 G HA2 0.350 4.309 3.960 -0.001 0.000 0.277 290 G HA3 0.350 4.309 3.960 -0.001 0.000 0.277 290 G C 0.845 175.648 174.900 -0.162 0.000 1.346 290 G CA 0.640 45.516 45.100 -0.372 0.000 1.058 290 G HN 0.105 nan 8.290 nan 0.000 0.535 291 T N 0.964 115.501 114.554 -0.029 0.000 2.731 291 T HA -0.243 4.107 4.350 -0.001 0.000 0.259 291 T C 1.630 176.290 174.700 -0.068 0.000 1.054 291 T CA 2.145 64.226 62.100 -0.031 0.000 1.158 291 T CB -0.182 68.688 68.868 0.004 0.000 0.847 291 T HN 0.489 nan 8.240 nan 0.000 0.470 292 N N 0.541 119.187 118.700 -0.090 0.000 2.203 292 N HA 0.232 4.972 4.740 -0.001 0.000 0.207 292 N C 0.840 176.256 175.510 -0.156 0.000 1.130 292 N CA 0.176 53.166 53.050 -0.100 0.000 0.861 292 N CB 0.635 39.080 38.487 -0.070 0.000 1.005 292 N HN 0.475 nan 8.380 nan 0.000 0.507 293 G N -0.049 108.619 108.800 -0.219 0.000 2.849 293 G HA2 0.564 4.524 3.960 -0.001 0.000 0.174 293 G HA3 0.564 4.524 3.960 -0.001 0.000 0.174 293 G C -0.536 174.216 174.900 -0.246 0.000 1.370 293 G CA -0.164 44.760 45.100 -0.293 0.000 1.040 293 G HN 0.125 nan 8.290 nan 0.000 0.582 294 S N -1.698 113.827 115.700 -0.292 0.000 2.588 294 S HA 0.567 5.037 4.470 -0.001 0.000 0.275 294 S C -0.753 173.699 174.600 -0.246 0.000 1.130 294 S CA -0.534 57.525 58.200 -0.235 0.000 0.855 294 S CB 2.048 65.110 63.200 -0.230 0.000 1.116 294 S HN 0.360 nan 8.310 nan 0.000 0.472 295 S N 2.406 118.009 115.700 -0.161 0.000 2.257 295 S HA 0.354 4.823 4.470 -0.001 0.000 0.191 295 S C -2.591 171.972 174.600 -0.062 0.000 1.386 295 S CA -0.918 57.213 58.200 -0.114 0.000 1.233 295 S CB -0.263 62.901 63.200 -0.060 0.000 1.138 295 S HN 0.417 nan 8.310 nan 0.000 0.483 296 P HA 0.153 nan 4.420 nan 0.000 0.263 296 P C -0.236 177.129 177.300 0.109 0.000 1.195 296 P CA -0.049 63.072 63.100 0.034 0.000 0.762 296 P CB 0.330 32.088 31.700 0.097 0.000 0.799 297 A N 4.141 127.018 122.820 0.096 0.000 2.580 297 A HA -0.096 4.223 4.320 -0.001 0.000 0.244 297 A C 0.820 178.488 177.584 0.140 0.000 1.045 297 A CA 0.238 52.336 52.037 0.102 0.000 0.761 297 A CB -0.786 18.258 19.000 0.074 0.000 0.962 297 A HN 0.740 nan 8.150 nan 0.000 0.512 298 Q N 0.577 120.470 119.800 0.156 0.000 2.407 298 Q HA -0.302 4.037 4.340 -0.001 0.000 0.277 298 Q C 0.518 176.644 176.000 0.210 0.000 1.161 298 Q CA 1.229 57.142 55.803 0.184 0.000 0.924 298 Q CB -1.886 26.927 28.738 0.126 0.000 1.318 298 Q HN 0.967 nan 8.270 nan 0.000 0.513 299 W N 0.067 121.371 121.300 0.007 0.000 2.302 299 W HA -0.273 4.387 4.660 -0.000 0.000 0.320 299 W C 1.412 177.919 176.519 -0.020 0.000 1.241 299 W CA 2.236 59.538 57.345 -0.072 0.000 1.264 299 W CB -0.390 28.907 29.460 -0.271 0.000 1.154 299 W HN 0.378 nan 8.180 nan 0.000 0.483 300 F N 0.486 120.716 119.950 0.468 0.000 2.069 300 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 300 F C 2.877 178.776 175.800 0.164 0.000 1.113 300 F CA 2.597 60.782 58.000 0.310 0.000 1.214 300 F CB -1.572 37.602 39.000 0.290 0.000 0.978 300 F HN -0.047 nan 8.300 nan 0.000 0.474 301 T N -2.135 112.633 114.554 0.357 0.000 2.867 301 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 301 T C 1.878 176.638 174.700 0.101 0.000 1.057 301 T CA 1.131 63.372 62.100 0.235 0.000 1.136 301 T CB -0.427 68.547 68.868 0.177 0.000 0.874 301 T HN 0.209 nan 8.240 nan 0.000 0.466 302 K N 0.652 121.068 120.400 0.027 0.000 2.103 302 K HA -0.012 4.308 4.320 -0.001 0.000 0.207 302 K C 2.298 178.835 176.600 -0.105 0.000 1.048 302 K CA 1.289 57.546 56.287 -0.049 0.000 0.930 302 K CB -0.406 32.046 32.500 -0.080 0.000 0.716 302 K HN 0.239 nan 8.250 nan 0.000 0.444 303 V N 1.629 121.433 119.914 -0.185 0.000 2.453 303 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 303 V C 2.149 178.235 176.094 -0.013 0.000 1.048 303 V CA 1.244 63.435 62.300 -0.182 0.000 1.049 303 V CB -0.300 31.302 31.823 -0.369 0.000 0.672 303 V HN 0.332 nan 8.190 nan 0.000 0.457 304 L N 0.115 121.399 121.223 0.101 0.000 2.027 304 L HA -0.146 4.194 4.340 -0.001 0.000 0.206 304 L C 2.663 179.555 176.870 0.037 0.000 1.074 304 L CA 1.816 56.747 54.840 0.152 0.000 0.745 304 L CB -0.581 41.621 42.059 0.239 0.000 0.898 304 L HN 0.373 nan 8.230 nan 0.000 0.433 305 A N -0.127 122.700 122.820 0.012 0.000 1.917 305 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 305 A C 2.416 179.961 177.584 -0.066 0.000 1.182 305 A CA 1.961 53.977 52.037 -0.036 0.000 0.633 305 A CB -0.809 18.176 19.000 -0.024 0.000 0.819 305 A HN 0.562 nan 8.150 nan 0.000 0.448 306 A N -0.634 122.145 122.820 -0.068 0.000 1.902 306 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 306 A C 1.991 179.520 177.584 -0.091 0.000 1.181 306 A CA 1.721 53.700 52.037 -0.095 0.000 0.623 306 A CB -0.514 18.407 19.000 -0.133 0.000 0.818 306 A HN 0.404 nan 8.150 nan 0.000 0.443 307 I N 0.191 120.728 120.570 -0.056 0.000 2.252 307 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 307 I C 2.318 178.374 176.117 -0.102 0.000 1.102 307 I CA 1.533 62.814 61.300 -0.033 0.000 1.385 307 I CB -0.310 37.740 38.000 0.082 0.000 1.064 307 I HN 0.259 nan 8.210 nan 0.000 0.414 308 K N 0.363 120.653 120.400 -0.185 0.000 2.097 308 K HA -0.017 4.303 4.320 -0.001 0.000 0.205 308 K C 2.147 178.601 176.600 -0.243 0.000 1.050 308 K CA 1.327 57.392 56.287 -0.369 0.000 0.938 308 K CB -0.411 31.816 32.500 -0.454 0.000 0.718 308 K HN 0.284 nan 8.250 nan 0.000 0.442 309 A N 1.759 124.481 122.820 -0.163 0.000 2.084 309 A HA -0.166 4.153 4.320 -0.001 0.000 0.221 309 A C 0.907 178.424 177.584 -0.112 0.000 1.161 309 A CA 1.213 53.176 52.037 -0.124 0.000 0.653 309 A CB -0.249 18.693 19.000 -0.098 0.000 0.802 309 A HN 0.248 nan 8.150 nan 0.000 0.457 310 D N -1.469 118.862 120.400 -0.114 0.000 2.256 310 D HA 0.271 4.911 4.640 -0.001 0.000 0.240 310 D C -1.847 174.398 176.300 -0.091 0.000 1.062 310 D CA -1.917 52.027 54.000 -0.094 0.000 0.832 310 D CB 1.912 42.659 40.800 -0.088 0.000 1.135 310 D HN 0.014 nan 8.370 nan 0.000 0.484 311 P HA -0.096 nan 4.420 nan 0.000 0.219 311 P C 1.365 178.641 177.300 -0.041 0.000 1.150 311 P CA 0.522 63.586 63.100 -0.061 0.000 0.814 311 P CB 0.735 32.405 31.700 -0.051 0.000 0.787 312 V N 0.778 120.666 119.914 -0.045 0.000 2.426 312 V HA -0.002 4.117 4.120 -0.001 0.000 0.242 312 V C 2.880 178.948 176.094 -0.042 0.000 1.036 312 V CA 1.652 63.928 62.300 -0.039 0.000 1.044 312 V CB -1.687 30.108 31.823 -0.048 0.000 0.688 312 V HN 0.042 nan 8.190 nan 0.000 0.462 313 A N 1.105 123.890 122.820 -0.058 0.000 2.076 313 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 313 A C 2.347 179.917 177.584 -0.023 0.000 1.160 313 A CA 2.051 54.047 52.037 -0.067 0.000 0.653 313 A CB -0.579 18.367 19.000 -0.090 0.000 0.801 313 A HN 0.688 nan 8.150 nan 0.000 0.455 314 S N -1.084 114.619 115.700 0.005 0.000 2.593 314 S HA 0.089 4.559 4.470 -0.001 0.000 0.217 314 S C 1.129 175.821 174.600 0.152 0.000 0.966 314 S CA -0.109 58.153 58.200 0.104 0.000 0.914 314 S CB -0.209 63.010 63.200 0.032 0.000 0.776 314 S HN 0.538 nan 8.310 nan 0.000 0.523 315 R N 2.335 122.874 120.500 0.065 0.000 3.907 315 R HA 0.282 4.622 4.340 -0.001 0.000 0.241 315 R C -0.652 175.668 176.300 0.035 0.000 1.784 315 R CA -0.077 56.054 56.100 0.052 0.000 1.509 315 R CB -0.317 29.995 30.300 0.020 0.000 1.275 315 R HN 0.381 nan 8.270 nan 0.000 0.642 316 N N -0.248 118.482 118.700 0.050 0.000 2.392 316 N HA 0.150 4.890 4.740 -0.001 0.000 0.283 316 N C 0.397 175.924 175.510 0.028 0.000 1.003 316 N CA -0.114 52.948 53.050 0.020 0.000 0.892 316 N CB 1.997 40.490 38.487 0.010 0.000 1.193 316 N HN 0.081 nan 8.380 nan 0.000 0.487 317 A N 2.524 125.363 122.820 0.032 0.000 1.908 317 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 317 A C 0.165 177.886 177.584 0.228 0.000 1.181 317 A CA 1.602 53.710 52.037 0.119 0.000 0.627 317 A CB -0.459 18.684 19.000 0.239 0.000 0.818 317 A HN 0.786 nan 8.150 nan 0.000 0.445 318 Y N -3.846 116.503 120.300 0.081 0.000 2.670 318 Y HA 0.662 5.211 4.550 -0.001 0.000 0.334 318 Y C -0.945 175.031 175.900 0.127 0.000 1.185 318 Y CA -1.954 56.194 58.100 0.080 0.000 1.053 318 Y CB 0.842 39.347 38.460 0.075 0.000 1.298 318 Y HN 0.246 nan 8.280 nan 0.000 0.459 319 M N 0.973 120.726 119.600 0.255 0.000 2.206 319 M HA 0.548 5.027 4.480 -0.001 0.000 0.272 319 M C -1.939 174.572 176.300 0.352 0.000 1.012 319 M CA -0.590 54.784 55.300 0.122 0.000 0.986 319 M CB 2.631 35.044 32.600 -0.311 0.000 1.740 319 M HN 0.828 nan 8.290 nan 0.000 0.472 320 E N 2.556 123.002 120.200 0.410 0.000 2.145 320 E HA 0.444 4.793 4.350 -0.001 0.000 0.270 320 E C -1.242 175.464 176.600 0.177 0.000 0.906 320 E CA -0.261 56.278 56.400 0.231 0.000 0.761 320 E CB 2.167 31.963 29.700 0.159 0.000 1.116 320 E HN 0.804 nan 8.360 nan 0.000 0.408 321 T N 3.240 117.739 114.554 -0.092 0.000 2.862 321 T HA 0.188 4.538 4.350 -0.001 0.000 0.276 321 T C -0.400 174.298 174.700 -0.004 0.000 0.974 321 T CA -0.512 61.373 62.100 -0.359 0.000 0.966 321 T CB 0.485 69.077 68.868 -0.460 0.000 1.072 321 T HN 0.501 nan 8.240 nan 0.000 0.538 322 W N 0.771 121.834 121.300 -0.395 0.000 2.030 322 W HA 0.571 5.230 4.660 -0.000 0.000 0.412 322 W C 0.557 176.916 176.519 -0.267 0.000 1.715 322 W CA -1.015 56.015 57.345 -0.524 0.000 1.895 322 W CB 0.621 29.363 29.460 -1.198 0.000 1.381 322 W HN 0.776 nan 8.180 nan 0.000 0.717 323 A N 2.180 124.468 122.820 -0.886 0.000 2.507 323 A HA -0.047 4.272 4.320 -0.001 0.000 0.235 323 A C -0.225 177.108 177.584 -0.420 0.000 1.070 323 A CA 0.154 51.650 52.037 -0.902 0.000 0.768 323 A CB -0.068 17.826 19.000 -1.843 0.000 1.011 323 A HN 0.552 nan 8.150 nan 0.000 0.502 324 N N 1.365 119.895 118.700 -0.283 0.000 3.228 324 N HA 0.341 5.081 4.740 -0.001 0.000 0.289 324 N C -0.047 175.403 175.510 -0.101 0.000 1.419 324 N CA -0.161 52.889 53.050 0.001 0.000 1.088 324 N CB -0.134 38.438 38.487 0.141 0.000 1.357 324 N HN 0.544 nan 8.380 nan 0.000 0.504 325 F N 0.460 120.362 119.950 -0.080 0.000 2.075 325 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 325 F C 1.013 176.752 175.800 -0.102 0.000 1.113 325 F CA 0.744 58.550 58.000 -0.323 0.000 1.218 325 F CB -0.194 38.586 39.000 -0.367 0.000 0.984 325 F HN 0.299 nan 8.300 nan 0.000 0.472 326 D N -3.585 116.925 120.400 0.183 0.000 2.946 326 D HA 0.492 5.131 4.640 -0.001 0.000 0.337 326 D C 0.672 177.021 176.300 0.081 0.000 1.332 326 D CA -0.142 53.914 54.000 0.093 0.000 0.935 326 D CB 0.365 41.220 40.800 0.092 0.000 1.440 326 D HN -0.061 nan 8.370 nan 0.000 0.540 327 A N -0.225 122.617 122.820 0.037 0.000 1.877 327 A HA 0.167 4.487 4.320 -0.001 0.000 0.216 327 A C 2.053 179.752 177.584 0.192 0.000 1.186 327 A CA 2.248 54.325 52.037 0.065 0.000 0.620 327 A CB -1.682 17.331 19.000 0.021 0.000 0.822 327 A HN 0.617 nan 8.150 nan 0.000 0.443 328 G N -1.337 107.526 108.800 0.105 0.000 2.421 328 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.216 328 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.216 328 G C 0.929 175.842 174.900 0.021 0.000 1.171 328 G CA 0.970 46.099 45.100 0.048 0.000 0.775 328 G HN 0.594 nan 8.290 nan 0.000 0.543 329 Q N 0.541 120.400 119.800 0.100 0.000 2.347 329 Q HA 0.373 4.713 4.340 -0.001 0.000 0.265 329 Q C -1.450 174.657 176.000 0.178 0.000 1.024 329 Q CA -0.827 55.010 55.803 0.056 0.000 0.731 329 Q CB 0.786 29.632 28.738 0.180 0.000 1.245 329 Q HN 0.686 nan 8.270 nan 0.000 0.472 330 H N 2.291 121.259 119.070 -0.169 0.000 3.085 330 H HA 0.225 4.781 4.556 -0.001 0.000 0.356 330 H C -1.337 173.828 175.328 -0.272 0.000 1.178 330 H CA -0.789 55.221 56.048 -0.064 0.000 1.214 330 H CB 0.335 30.070 29.762 -0.044 0.000 1.881 330 H HN 0.481 nan 8.280 nan 0.000 0.538 331 F N 1.103 121.001 119.950 -0.087 0.000 2.721 331 F HA 0.231 4.758 4.527 -0.001 0.000 0.301 331 F C 0.858 176.531 175.800 -0.212 0.000 1.096 331 F CA -0.047 57.863 58.000 -0.149 0.000 1.308 331 F CB 0.898 39.875 39.000 -0.039 0.000 1.086 331 F HN 0.172 nan 8.300 nan 0.000 0.587 332 V N 2.374 122.217 119.914 -0.119 0.000 2.378 332 V HA 0.343 4.463 4.120 -0.001 0.000 0.288 332 V C -2.137 173.807 176.094 -0.250 0.000 1.016 332 V CA -2.427 59.582 62.300 -0.485 0.000 0.840 332 V CB 1.593 32.995 31.823 -0.701 0.000 0.994 332 V HN -0.160 nan 8.190 nan 0.000 0.431 333 P HA 0.095 nan 4.420 nan 0.000 0.266 333 P C -0.741 176.550 177.300 -0.015 0.000 1.186 333 P CA 0.459 63.517 63.100 -0.069 0.000 0.767 333 P CB 0.455 32.131 31.700 -0.040 0.000 0.820 334 V N -0.574 119.373 119.914 0.054 0.000 3.159 334 V HA 0.614 4.734 4.120 -0.001 0.000 0.308 334 V C -2.846 173.266 176.094 0.030 0.000 1.190 334 V CA -3.291 59.018 62.300 0.015 0.000 1.037 334 V CB 1.329 33.121 31.823 -0.051 0.000 1.060 334 V HN 0.215 nan 8.190 nan 0.000 0.437 335 P HA 0.299 nan 4.420 nan 0.000 0.257 335 P C 0.950 178.263 177.300 0.022 0.000 1.162 335 P CA 2.162 65.275 63.100 0.022 0.000 0.762 335 P CB 0.271 31.979 31.700 0.013 0.000 0.753 336 G N 2.498 111.315 108.800 0.029 0.000 2.391 336 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.204 336 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.204 336 G C -0.229 174.693 174.900 0.036 0.000 1.012 336 G CA -0.475 44.642 45.100 0.027 0.000 0.651 336 G HN 0.494 nan 8.290 nan 0.000 0.494 337 D N 1.174 121.605 120.400 0.052 0.000 2.304 337 D HA 0.614 5.253 4.640 -0.001 0.000 0.250 337 D C 1.491 177.818 176.300 0.046 0.000 1.107 337 D CA 0.457 54.486 54.000 0.050 0.000 0.885 337 D CB 1.484 42.328 40.800 0.073 0.000 1.192 337 D HN 0.375 nan 8.370 nan 0.000 0.436 338 A N 2.799 125.638 122.820 0.032 0.000 1.883 338 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 338 A C 2.058 179.691 177.584 0.081 0.000 1.186 338 A CA 1.096 53.159 52.037 0.044 0.000 0.624 338 A CB -0.652 18.363 19.000 0.026 0.000 0.822 338 A HN 0.643 nan 8.150 nan 0.000 0.444 339 L N -0.130 121.153 121.223 0.101 0.000 2.633 339 L HA -0.104 4.235 4.340 -0.001 0.000 0.235 339 L C 2.244 179.256 176.870 0.238 0.000 1.163 339 L CA 0.040 55.001 54.840 0.202 0.000 0.859 339 L CB -0.518 41.701 42.059 0.267 0.000 0.973 339 L HN 0.458 nan 8.230 nan 0.000 0.451 340 L N 0.377 121.693 121.223 0.155 0.000 1.990 340 L HA -0.262 4.077 4.340 -0.001 0.000 0.213 340 L C 2.281 179.252 176.870 0.169 0.000 1.072 340 L CA 2.013 56.944 54.840 0.152 0.000 0.755 340 L CB -0.407 41.711 42.059 0.098 0.000 0.889 340 L HN 0.182 nan 8.230 nan 0.000 0.432 341 E N -0.420 119.857 120.200 0.129 0.000 2.077 341 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 341 E C 1.971 178.645 176.600 0.125 0.000 0.989 341 E CA 1.468 57.928 56.400 0.101 0.000 0.800 341 E CB -0.337 29.409 29.700 0.076 0.000 0.746 341 E HN 0.644 nan 8.360 nan 0.000 0.452 342 D N -0.646 119.867 120.400 0.188 0.000 2.123 342 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 342 D C 1.500 177.949 176.300 0.249 0.000 0.992 342 D CA 0.764 54.908 54.000 0.239 0.000 0.833 342 D CB -0.137 40.863 40.800 0.333 0.000 0.954 342 D HN 0.153 nan 8.370 nan 0.000 0.455 343 F N 0.939 120.939 119.950 0.083 0.000 2.269 343 F HA -0.086 4.440 4.527 -0.000 0.000 0.301 343 F C 2.097 177.832 175.800 -0.108 0.000 1.082 343 F CA 1.251 59.105 58.000 -0.244 0.000 1.360 343 F CB -0.134 38.557 39.000 -0.515 0.000 1.041 343 F HN 0.020 nan 8.300 nan 0.000 0.512 344 Q N -0.188 119.523 119.800 -0.148 0.000 2.137 344 Q HA -0.048 4.292 4.340 -0.001 0.000 0.198 344 Q C 2.546 178.424 176.000 -0.204 0.000 0.960 344 Q CA 1.057 56.723 55.803 -0.229 0.000 0.847 344 Q CB -0.402 28.294 28.738 -0.069 0.000 0.915 344 Q HN 0.492 nan 8.270 nan 0.000 0.448 345 A N 0.709 123.483 122.820 -0.076 0.000 1.883 345 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 345 A C 1.946 179.495 177.584 -0.059 0.000 1.186 345 A CA 1.670 53.684 52.037 -0.039 0.000 0.624 345 A CB -1.029 17.995 19.000 0.040 0.000 0.822 345 A HN 0.564 nan 8.150 nan 0.000 0.444 346 Y N 0.679 120.870 120.300 -0.180 0.000 2.165 346 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 346 Y C 2.529 178.267 175.900 -0.270 0.000 1.155 346 Y CA 1.393 59.388 58.100 -0.174 0.000 1.164 346 Y CB -0.567 37.802 38.460 -0.151 0.000 0.978 346 Y HN 0.294 nan 8.280 nan 0.000 0.513 347 A N 0.710 123.298 122.820 -0.387 0.000 1.930 347 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 347 A C 2.357 179.621 177.584 -0.533 0.000 1.175 347 A CA 1.595 53.307 52.037 -0.542 0.000 0.627 347 A CB -1.428 17.140 19.000 -0.719 0.000 0.815 347 A HN 0.642 nan 8.150 nan 0.000 0.443 348 A N -0.565 122.032 122.820 -0.371 0.000 2.168 348 A HA -0.001 4.319 4.320 -0.001 0.000 0.215 348 A C 1.033 178.499 177.584 -0.197 0.000 1.152 348 A CA 0.592 52.468 52.037 -0.268 0.000 0.716 348 A CB -0.410 18.479 19.000 -0.185 0.000 0.794 348 A HN 0.507 nan 8.150 nan 0.000 0.465 349 D N -0.069 120.210 120.400 -0.202 0.000 2.458 349 D HA 0.090 4.730 4.640 -0.001 0.000 0.243 349 D C -1.661 174.587 176.300 -0.086 0.000 1.146 349 D CA -1.386 52.539 54.000 -0.125 0.000 0.877 349 D CB 1.125 41.846 40.800 -0.132 0.000 1.176 349 D HN 0.017 nan 8.370 nan 0.000 0.461 350 P HA -0.111 nan 4.420 nan 0.000 0.219 350 P C 1.110 178.456 177.300 0.077 0.000 1.146 350 P CA 0.621 63.732 63.100 0.018 0.000 0.808 350 P CB 0.008 31.728 31.700 0.033 0.000 0.779 351 F N 0.486 120.392 119.950 -0.073 0.000 2.407 351 F HA -0.011 4.516 4.527 -0.001 0.000 0.299 351 F C 0.792 176.565 175.800 -0.046 0.000 1.097 351 F CA 0.780 58.746 58.000 -0.055 0.000 1.422 351 F CB -0.767 38.194 39.000 -0.065 0.000 1.067 351 F HN -0.165 nan 8.300 nan 0.000 0.539 352 T N 0.998 115.480 114.554 -0.121 0.000 2.749 352 T HA 0.461 4.811 4.350 -0.001 0.000 0.295 352 T C -0.314 174.445 174.700 0.099 0.000 0.936 352 T CA -0.623 61.401 62.100 -0.126 0.000 1.060 352 T CB 0.857 69.568 68.868 -0.262 0.000 0.904 352 T HN 0.052 nan 8.240 nan 0.000 0.500 353 L N 3.549 124.826 121.223 0.090 0.000 2.307 353 L HA 0.607 4.947 4.340 -0.001 0.000 0.282 353 L C -0.569 176.497 176.870 0.327 0.000 1.051 353 L CA -0.892 54.073 54.840 0.208 0.000 0.804 353 L CB 0.870 42.982 42.059 0.088 0.000 1.197 353 L HN 0.577 nan 8.230 nan 0.000 0.431 354 F N -0.013 120.002 119.950 0.108 0.000 2.598 354 F HA 0.511 5.038 4.527 -0.001 0.000 0.327 354 F C 1.171 177.080 175.800 0.182 0.000 1.057 354 F CA -0.377 57.729 58.000 0.178 0.000 0.957 354 F CB 1.483 40.575 39.000 0.153 0.000 1.278 354 F HN 0.541 nan 8.300 nan 0.000 0.484 355 A N 0.709 123.773 122.820 0.406 0.000 1.916 355 A HA -0.351 3.969 4.320 -0.001 0.000 0.224 355 A C 2.276 180.008 177.584 0.246 0.000 1.366 355 A CA 3.358 55.597 52.037 0.338 0.000 0.692 355 A CB -1.662 17.612 19.000 0.457 0.000 0.841 355 A HN 0.857 nan 8.150 nan 0.000 0.480 356 S N -0.493 115.363 115.700 0.260 0.000 2.447 356 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 356 S C 1.370 176.052 174.600 0.137 0.000 1.006 356 S CA 1.432 59.736 58.200 0.174 0.000 0.957 356 S CB -0.433 62.863 63.200 0.160 0.000 0.773 356 S HN 0.698 nan 8.310 nan 0.000 0.507 357 E N 0.569 120.867 120.200 0.164 0.000 2.489 357 E HA 0.171 4.521 4.350 -0.001 0.000 0.193 357 E C -0.553 176.126 176.600 0.131 0.000 1.057 357 E CA -0.118 56.362 56.400 0.133 0.000 0.866 357 E CB 0.453 30.239 29.700 0.145 0.000 0.916 357 E HN 0.340 nan 8.360 nan 0.000 0.500 358 V N 2.333 122.319 119.914 0.119 0.000 2.432 358 V HA 0.161 4.281 4.120 -0.001 0.000 0.271 358 V C 0.199 176.284 176.094 -0.016 0.000 1.046 358 V CA -0.023 62.315 62.300 0.063 0.000 0.945 358 V CB 0.809 32.624 31.823 -0.014 0.000 0.992 358 V HN 0.172 nan 8.190 nan 0.000 0.471 359 T N 0.620 115.165 114.554 -0.015 0.000 2.993 359 T HA 0.631 4.980 4.350 -0.001 0.000 0.312 359 T C 0.332 175.004 174.700 -0.046 0.000 1.115 359 T CA -0.125 61.956 62.100 -0.032 0.000 1.027 359 T CB 1.611 70.500 68.868 0.035 0.000 1.116 359 T HN 1.636 nan 8.240 nan 0.000 0.464 360 G N 0.720 109.464 108.800 -0.094 0.000 2.298 360 G HA2 0.081 4.041 3.960 -0.001 0.000 0.287 360 G HA3 0.081 4.041 3.960 -0.001 0.000 0.287 360 G C 0.673 175.463 174.900 -0.183 0.000 1.075 360 G CA -0.017 45.047 45.100 -0.060 0.000 0.960 360 G HN 1.576 nan 8.290 nan 0.000 0.502 361 A N -1.376 121.107 122.820 -0.562 0.000 2.140 361 A HA 0.684 5.004 4.320 -0.001 0.000 0.209 361 A C 1.485 178.605 177.584 -0.774 0.000 1.181 361 A CA 1.509 52.942 52.037 -1.006 0.000 0.824 361 A CB 0.144 18.066 19.000 -1.797 0.000 0.879 361 A HN 0.674 nan 8.150 nan 0.000 0.480 362 F N -0.019 119.863 119.950 -0.114 0.000 2.789 362 F HA 0.137 4.663 4.527 -0.001 0.000 0.320 362 F C 1.116 176.902 175.800 -0.024 0.000 1.079 362 F CA -0.046 57.920 58.000 -0.056 0.000 1.205 362 F CB 0.398 39.357 39.000 -0.068 0.000 1.046 362 F HN 0.284 nan 8.300 nan 0.000 0.586 363 D N 0.358 120.829 120.400 0.118 0.000 2.325 363 D HA 0.022 4.662 4.640 -0.001 0.000 0.225 363 D C 0.467 176.803 176.300 0.060 0.000 1.096 363 D CA -0.002 54.047 54.000 0.081 0.000 0.844 363 D CB -0.257 40.578 40.800 0.058 0.000 0.925 363 D HN 0.116 nan 8.370 nan 0.000 0.513 364 R N -0.335 120.203 120.500 0.063 0.000 2.615 364 R HA 0.423 4.763 4.340 -0.001 0.000 0.270 364 R C -0.097 176.238 176.300 0.058 0.000 1.081 364 R CA -0.018 56.117 56.100 0.059 0.000 1.154 364 R CB 0.718 31.058 30.300 0.067 0.000 1.063 364 R HN -0.089 nan 8.270 nan 0.000 0.519 365 T N 2.294 116.877 114.554 0.049 0.000 2.947 365 T HA 0.352 4.702 4.350 -0.001 0.000 0.337 365 T C -0.548 174.178 174.700 0.044 0.000 1.139 365 T CA -0.681 61.445 62.100 0.043 0.000 0.992 365 T CB 0.309 69.198 68.868 0.034 0.000 1.043 365 T HN 0.407 nan 8.240 nan 0.000 0.498 366 V N 0.194 120.137 119.914 0.049 0.000 2.914 366 V HA 1.034 5.153 4.120 -0.001 0.000 0.314 366 V C -0.410 175.711 176.094 0.045 0.000 1.084 366 V CA -1.551 60.778 62.300 0.048 0.000 0.963 366 V CB 1.691 33.550 31.823 0.059 0.000 1.025 366 V HN 0.798 nan 8.190 nan 0.000 0.432 367 A N 2.491 125.335 122.820 0.040 0.000 2.317 367 A HA 0.943 5.262 4.320 -0.001 0.000 0.327 367 A C 0.271 177.878 177.584 0.039 0.000 1.178 367 A CA -0.250 51.808 52.037 0.035 0.000 0.817 367 A CB 1.193 20.210 19.000 0.028 0.000 1.189 367 A HN 2.233 nan 8.150 nan 0.000 0.489 368 A N 1.971 124.814 122.820 0.038 0.000 2.302 368 A HA 0.627 4.947 4.320 -0.001 0.000 0.295 368 A C 0.808 178.410 177.584 0.031 0.000 1.235 368 A CA 0.177 52.239 52.037 0.041 0.000 0.876 368 A CB -0.311 18.715 19.000 0.044 0.000 1.133 368 A HN 2.105 nan 8.150 nan 0.000 0.533 369 A N 4.785 127.623 122.820 0.030 0.000 2.536 369 A HA 0.483 4.802 4.320 -0.001 0.000 0.234 369 A C -1.705 175.888 177.584 0.015 0.000 1.076 369 A CA -0.680 51.370 52.037 0.022 0.000 0.769 369 A CB -0.515 18.498 19.000 0.022 0.000 1.020 369 A HN 0.739 nan 8.150 nan 0.000 0.508 370 P HA 0.244 nan 4.420 nan 0.000 0.268 370 P C -0.124 177.173 177.300 -0.005 0.000 1.204 370 P CA 0.390 63.492 63.100 0.002 0.000 0.768 370 P CB 0.489 32.190 31.700 0.001 0.000 0.842 371 A N 4.069 126.882 122.820 -0.011 0.000 2.567 371 A HA 0.034 4.353 4.320 -0.001 0.000 0.240 371 A C 0.893 178.457 177.584 -0.034 0.000 1.053 371 A CA -0.096 51.924 52.037 -0.029 0.000 0.755 371 A CB -0.466 18.514 19.000 -0.034 0.000 0.978 371 A HN 0.660 nan 8.150 nan 0.000 0.507 372 Q N 2.653 122.424 119.800 -0.049 0.000 2.288 372 Q HA 0.477 4.816 4.340 -0.001 0.000 0.254 372 Q C -2.627 173.345 176.000 -0.046 0.000 0.932 372 Q CA -1.730 54.048 55.803 -0.041 0.000 0.902 372 Q CB 0.176 28.889 28.738 -0.043 0.000 1.203 372 Q HN 0.437 nan 8.270 nan 0.000 0.415 373 P HA 0.042 nan 4.420 nan 0.000 0.268 373 P C -1.063 176.237 177.300 -0.001 0.000 1.205 373 P CA -0.197 62.897 63.100 -0.011 0.000 0.771 373 P CB 0.936 32.631 31.700 -0.008 0.000 0.858 374 V N 0.359 120.293 119.914 0.033 0.000 3.178 374 V HA 0.800 4.920 4.120 -0.001 0.000 0.302 374 V C -1.347 174.847 176.094 0.167 0.000 1.262 374 V CA -1.007 61.346 62.300 0.088 0.000 1.030 374 V CB 2.256 34.130 31.823 0.085 0.000 1.074 374 V HN 0.373 nan 8.190 nan 0.000 0.438 375 V N 4.165 124.206 119.914 0.212 0.000 2.697 375 V HA 0.754 4.874 4.120 -0.001 0.000 0.300 375 V C -1.464 174.796 176.094 0.277 0.000 1.115 375 V CA 0.024 62.453 62.300 0.215 0.000 0.912 375 V CB 1.646 33.509 31.823 0.067 0.000 1.024 375 V HN 1.569 nan 8.190 nan 0.000 0.431 376 H N 4.945 124.088 119.070 0.120 0.000 2.928 376 H HA 0.596 5.152 4.556 -0.001 0.000 0.371 376 H C -1.108 174.261 175.328 0.069 0.000 1.186 376 H CA -1.429 54.668 56.048 0.081 0.000 1.134 376 H CB 1.945 31.753 29.762 0.075 0.000 1.824 376 H HN 0.548 nan 8.280 nan 0.000 0.554 377 I N 2.161 122.749 120.570 0.029 0.000 2.291 377 I HA 0.187 4.356 4.170 -0.001 0.000 0.292 377 I C 1.348 177.418 176.117 -0.077 0.000 1.064 377 I CA -0.386 60.873 61.300 -0.067 0.000 1.269 377 I CB 1.282 39.246 38.000 -0.060 0.000 1.418 377 I HN 0.813 nan 8.210 nan 0.000 0.485 378 A N 4.917 127.627 122.820 -0.183 0.000 2.015 378 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 378 A C 0.883 178.313 177.584 -0.257 0.000 1.163 378 A CA 1.209 53.126 52.037 -0.200 0.000 0.646 378 A CB -0.154 18.582 19.000 -0.440 0.000 0.806 378 A HN 0.726 nan 8.150 nan 0.000 0.448 379 S N -1.508 114.036 115.700 -0.260 0.000 2.570 379 S HA 0.504 4.973 4.470 -0.001 0.000 0.286 379 S C -3.529 171.003 174.600 -0.114 0.000 1.143 379 S CA -1.237 56.844 58.200 -0.197 0.000 0.921 379 S CB 1.964 64.990 63.200 -0.290 0.000 1.108 379 S HN 0.062 nan 8.310 nan 0.000 0.456 380 P HA 0.452 nan 4.420 nan 0.000 0.280 380 P C 0.143 177.423 177.300 -0.034 0.000 1.244 380 P CA -0.105 62.989 63.100 -0.011 0.000 0.784 380 P CB 0.998 32.749 31.700 0.085 0.000 0.913 381 A N 2.840 125.640 122.820 -0.033 0.000 2.366 381 A HA 0.103 4.422 4.320 -0.001 0.000 0.250 381 A C 0.294 177.876 177.584 -0.003 0.000 1.099 381 A CA -0.119 51.909 52.037 -0.016 0.000 0.794 381 A CB -0.498 18.497 19.000 -0.008 0.000 1.056 381 A HN 0.599 nan 8.150 nan 0.000 0.499 382 D N -0.585 119.819 120.400 0.007 0.000 2.390 382 D HA 0.404 5.044 4.640 -0.001 0.000 0.249 382 D C 1.162 177.471 176.300 0.015 0.000 1.144 382 D CA 1.532 55.538 54.000 0.010 0.000 0.880 382 D CB 0.205 41.016 40.800 0.017 0.000 1.182 382 D HN 1.290 nan 8.370 nan 0.000 0.451 383 G N 2.191 110.995 108.800 0.008 0.000 2.143 383 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.248 383 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.248 383 G C 0.240 175.142 174.900 0.003 0.000 0.991 383 G CA 0.191 45.296 45.100 0.009 0.000 0.689 383 G HN 0.844 nan 8.290 nan 0.000 0.522 384 A N -0.681 122.136 122.820 -0.006 0.000 2.294 384 A HA 0.901 5.221 4.320 -0.001 0.000 0.330 384 A C 0.346 177.914 177.584 -0.027 0.000 1.133 384 A CA -0.239 51.794 52.037 -0.006 0.000 0.836 384 A CB 0.908 19.908 19.000 -0.001 0.000 1.190 384 A HN 0.700 nan 8.150 nan 0.000 0.492 385 R N 0.588 121.073 120.500 -0.025 0.000 2.265 385 R HA 0.488 4.828 4.340 -0.001 0.000 0.319 385 R C -0.527 175.749 176.300 -0.041 0.000 1.006 385 R CA -0.336 55.738 56.100 -0.044 0.000 0.880 385 R CB 1.017 31.296 30.300 -0.034 0.000 1.077 385 R HN 0.810 nan 8.270 nan 0.000 0.454 386 V N 2.434 122.315 119.914 -0.055 0.000 2.509 386 V HA 0.754 4.874 4.120 -0.001 0.000 0.284 386 V C 0.191 176.216 176.094 -0.114 0.000 1.047 386 V CA -0.736 61.521 62.300 -0.071 0.000 0.952 386 V CB 1.220 33.007 31.823 -0.060 0.000 0.988 386 V HN 0.908 nan 8.190 nan 0.000 0.469 387 A N 4.154 126.902 122.820 -0.120 0.000 2.351 387 A HA 0.545 4.865 4.320 -0.001 0.000 0.257 387 A C 1.445 178.924 177.584 -0.174 0.000 1.087 387 A CA 0.167 52.132 52.037 -0.119 0.000 0.798 387 A CB 0.591 19.535 19.000 -0.093 0.000 1.033 387 A HN 1.753 nan 8.150 nan 0.000 0.488 388 S N 1.236 116.850 115.700 -0.143 0.000 2.402 388 S HA 0.125 4.595 4.470 -0.001 0.000 0.229 388 S C 1.173 175.668 174.600 -0.176 0.000 1.021 388 S CA 0.613 58.715 58.200 -0.163 0.000 0.974 388 S CB -0.841 62.294 63.200 -0.108 0.000 0.800 388 S HN 1.545 nan 8.310 nan 0.000 0.484 389 A N 3.258 125.995 122.820 -0.138 0.000 2.492 389 A HA 0.440 4.759 4.320 -0.001 0.000 0.236 389 A C -2.324 175.163 177.584 -0.161 0.000 1.078 389 A CA -1.002 50.962 52.037 -0.122 0.000 0.773 389 A CB -0.643 18.304 19.000 -0.088 0.000 1.023 389 A HN 0.290 nan 8.150 nan 0.000 0.504 390 P HA 0.319 nan 4.420 nan 0.000 0.271 390 P C -0.343 176.893 177.300 -0.106 0.000 1.216 390 P CA 0.248 63.267 63.100 -0.136 0.000 0.776 390 P CB 0.917 32.569 31.700 -0.080 0.000 0.881 391 T N -1.109 113.391 114.554 -0.090 0.000 2.883 391 T HA 0.494 4.844 4.350 -0.001 0.000 0.296 391 T C -0.603 174.122 174.700 0.042 0.000 1.117 391 T CA -0.792 61.288 62.100 -0.034 0.000 1.006 391 T CB 0.983 69.828 68.868 -0.038 0.000 1.191 391 T HN 0.073 nan 8.240 nan 0.000 0.508 392 T N 1.862 116.419 114.554 0.005 0.000 2.744 392 T HA 0.463 4.813 4.350 -0.001 0.000 0.291 392 T C 0.137 174.828 174.700 -0.015 0.000 0.957 392 T CA -0.471 61.630 62.100 0.003 0.000 1.002 392 T CB 0.683 69.517 68.868 -0.056 0.000 0.919 392 T HN 0.523 nan 8.240 nan 0.000 0.468 393 V N 6.423 126.357 119.914 0.032 0.000 2.455 393 V HA 0.330 4.450 4.120 -0.001 0.000 0.273 393 V C 0.520 176.557 176.094 -0.095 0.000 1.045 393 V CA -0.399 61.881 62.300 -0.033 0.000 0.976 393 V CB 0.081 31.870 31.823 -0.058 0.000 0.993 393 V HN 0.763 nan 8.190 nan 0.000 0.475 394 R N 4.167 124.540 120.500 -0.211 0.000 2.513 394 R HA 0.812 5.152 4.340 -0.001 0.000 0.301 394 R C -1.630 174.545 176.300 -0.208 0.000 0.968 394 R CA -0.748 55.198 56.100 -0.257 0.000 0.872 394 R CB 1.722 31.622 30.300 -0.667 0.000 1.177 394 R HN 0.354 nan 8.270 nan 0.000 0.444 395 V N 2.766 122.695 119.914 0.025 0.000 2.667 395 V HA 0.519 4.638 4.120 -0.001 0.000 0.308 395 V C -0.082 176.173 176.094 0.267 0.000 1.048 395 V CA -0.927 61.409 62.300 0.061 0.000 0.928 395 V CB 1.881 33.735 31.823 0.052 0.000 1.004 395 V HN 0.614 nan 8.190 nan 0.000 0.444 396 R N 2.588 123.155 120.500 0.113 0.000 2.439 396 R HA 0.652 4.991 4.340 -0.001 0.000 0.310 396 R C -1.767 174.629 176.300 0.161 0.000 0.955 396 R CA -0.429 55.809 56.100 0.231 0.000 0.853 396 R CB 1.731 32.095 30.300 0.107 0.000 1.171 396 R HN 0.519 nan 8.270 nan 0.000 0.449 397 V N 3.177 123.227 119.914 0.226 0.000 2.409 397 V HA 0.697 4.817 4.120 -0.001 0.000 0.291 397 V C 0.555 176.745 176.094 0.159 0.000 1.020 397 V CA -0.856 61.525 62.300 0.136 0.000 0.848 397 V CB 1.705 33.527 31.823 -0.002 0.000 0.990 397 V HN 0.828 nan 8.190 nan 0.000 0.430 398 G N 1.776 110.664 108.800 0.146 0.000 2.533 398 G HA2 0.618 4.577 3.960 -0.001 0.000 0.304 398 G HA3 0.618 4.577 3.960 -0.001 0.000 0.304 398 G C 0.559 175.482 174.900 0.039 0.000 1.263 398 G CA -0.238 44.924 45.100 0.102 0.000 0.964 398 G HN 1.607 nan 8.290 nan 0.000 0.479 399 G N -1.171 107.638 108.800 0.015 0.000 2.137 399 G HA2 0.175 4.135 3.960 -0.001 0.000 0.237 399 G HA3 0.175 4.135 3.960 -0.001 0.000 0.237 399 G C 0.299 175.196 174.900 -0.004 0.000 1.002 399 G CA 1.159 46.255 45.100 -0.006 0.000 0.702 399 G HN 2.009 nan 8.290 nan 0.000 0.515 400 T N -0.903 113.652 114.554 0.001 0.000 2.843 400 T HA 0.380 4.730 4.350 -0.001 0.000 0.337 400 T C -1.798 172.900 174.700 -0.004 0.000 1.754 400 T CA -0.053 62.044 62.100 -0.005 0.000 1.052 400 T CB 1.067 69.929 68.868 -0.011 0.000 1.588 400 T HN 0.076 nan 8.240 nan 0.000 0.493 401 D N 2.300 122.696 120.400 -0.007 0.000 2.348 401 D HA 0.353 4.992 4.640 -0.001 0.000 0.253 401 D C 0.072 176.370 176.300 -0.004 0.000 1.161 401 D CA 0.105 54.103 54.000 -0.003 0.000 0.876 401 D CB 1.500 42.298 40.800 -0.003 0.000 1.160 401 D HN 0.303 nan 8.370 nan 0.000 0.459 402 V N 3.085 123.013 119.914 0.023 0.000 2.407 402 V HA 0.041 4.161 4.120 -0.001 0.000 0.278 402 V C 1.361 177.478 176.094 0.037 0.000 1.037 402 V CA -0.269 62.016 62.300 -0.025 0.000 0.900 402 V CB 1.701 33.478 31.823 -0.077 0.000 0.983 402 V HN 0.555 nan 8.190 nan 0.000 0.459 403 Q N 3.761 123.530 119.800 -0.053 0.000 2.165 403 Q HA 0.072 4.412 4.340 -0.001 0.000 0.197 403 Q C 0.683 176.675 176.000 -0.012 0.000 0.952 403 Q CA 1.116 56.925 55.803 0.010 0.000 0.848 403 Q CB 0.670 29.399 28.738 -0.016 0.000 0.931 403 Q HN 0.880 nan 8.270 nan 0.000 0.470 404 S N -1.333 114.221 115.700 -0.243 0.000 2.570 404 S HA 0.656 5.126 4.470 -0.001 0.000 0.270 404 S C -1.158 173.083 174.600 -0.597 0.000 1.149 404 S CA -0.902 57.101 58.200 -0.330 0.000 0.837 404 S CB 2.204 65.338 63.200 -0.110 0.000 1.124 404 S HN 0.003 nan 8.310 nan 0.000 0.465 405 V N 1.451 121.028 119.914 -0.561 0.000 2.668 405 V HA 0.698 4.817 4.120 -0.001 0.000 0.304 405 V C -0.545 175.450 176.094 -0.164 0.000 1.071 405 V CA -0.306 61.724 62.300 -0.449 0.000 0.894 405 V CB 1.929 33.356 31.823 -0.659 0.000 1.008 405 V HN 1.105 nan 8.190 nan 0.000 0.425 406 T N 3.533 118.009 114.554 -0.130 0.000 2.924 406 T HA 0.805 5.155 4.350 -0.001 0.000 0.291 406 T C -0.817 173.832 174.700 -0.083 0.000 1.045 406 T CA -0.562 61.493 62.100 -0.074 0.000 1.015 406 T CB 2.193 71.023 68.868 -0.064 0.000 1.103 406 T HN 0.385 nan 8.240 nan 0.000 0.496 407 V N 1.709 121.573 119.914 -0.083 0.000 2.789 407 V HA 0.523 4.642 4.120 -0.001 0.000 0.311 407 V C -0.733 175.283 176.094 -0.131 0.000 1.073 407 V CA -0.839 61.387 62.300 -0.122 0.000 0.921 407 V CB 2.183 33.909 31.823 -0.162 0.000 1.009 407 V HN 0.864 nan 8.190 nan 0.000 0.426 408 E N 2.250 122.365 120.200 -0.141 0.000 2.244 408 E HA 0.449 4.799 4.350 -0.001 0.000 0.260 408 E C -1.483 175.025 176.600 -0.155 0.000 0.884 408 E CA -0.553 55.773 56.400 -0.122 0.000 0.777 408 E CB 2.583 32.239 29.700 -0.073 0.000 1.197 408 E HN 0.445 nan 8.360 nan 0.000 0.416 409 V N 2.895 122.701 119.914 -0.180 0.000 2.368 409 V HA 0.394 4.513 4.120 -0.001 0.000 0.266 409 V C 0.374 176.450 176.094 -0.029 0.000 1.045 409 V CA -0.203 61.994 62.300 -0.171 0.000 0.899 409 V CB 0.608 32.292 31.823 -0.230 0.000 1.006 409 V HN 0.712 nan 8.190 nan 0.000 0.470 410 A N 4.813 127.632 122.820 -0.002 0.000 2.261 410 A HA 0.949 5.269 4.320 -0.001 0.000 0.323 410 A C -0.334 177.301 177.584 0.086 0.000 1.107 410 A CA -0.425 51.633 52.037 0.034 0.000 0.883 410 A CB 1.876 20.886 19.000 0.017 0.000 1.251 410 A HN 0.802 nan 8.150 nan 0.000 0.502 416 V N 1.176 121.121 119.914 0.051 0.000 2.649 416 V HA 0.170 4.289 4.120 -0.001 0.000 0.248 416 V C 0.625 176.767 176.094 0.081 0.000 1.054 416 V CA 1.661 64.007 62.300 0.078 0.000 1.073 416 V CB 0.037 31.935 31.823 0.126 0.000 0.699 416 V HN 0.900 nan 8.190 nan 0.000 0.463 417 D N -1.733 118.701 120.400 0.057 0.000 2.583 417 D HA 0.440 5.079 4.640 -0.001 0.000 0.248 417 D C -1.196 175.096 176.300 -0.013 0.000 1.209 417 D CA -0.043 53.985 54.000 0.046 0.000 0.848 417 D CB 2.809 43.668 40.800 0.098 0.000 1.431 417 D HN 0.031 nan 8.370 nan 0.000 0.436 418 T N 1.334 115.884 114.554 -0.008 0.000 3.031 418 T HA 0.468 4.817 4.350 -0.001 0.000 0.305 418 T C -0.459 174.231 174.700 -0.018 0.000 0.985 418 T CA -0.483 61.601 62.100 -0.027 0.000 1.008 418 T CB 0.697 69.559 68.868 -0.011 0.000 1.005 418 T HN 0.127 nan 8.240 nan 0.000 0.444 419 L N 2.434 123.632 121.223 -0.043 0.000 2.334 419 L HA 0.637 4.977 4.340 -0.001 0.000 0.276 419 L C -0.426 176.445 176.870 0.002 0.000 1.014 419 L CA -0.995 53.836 54.840 -0.016 0.000 0.815 419 L CB 1.752 43.785 42.059 -0.044 0.000 1.268 419 L HN 0.494 nan 8.230 nan 0.000 0.428 420 D N 2.430 122.852 120.400 0.036 0.000 2.392 420 D HA 0.473 5.112 4.640 -0.001 0.000 0.228 420 D C -0.477 175.891 176.300 0.113 0.000 1.074 420 D CA -0.243 53.794 54.000 0.061 0.000 0.838 420 D CB 1.008 41.846 40.800 0.064 0.000 1.067 420 D HN 0.245 nan 8.370 nan 0.000 0.511 421 L N 1.583 122.904 121.223 0.163 0.000 2.439 421 L HA 0.790 5.130 4.340 -0.001 0.000 0.259 421 L C 0.183 177.337 176.870 0.473 0.000 1.129 421 L CA -1.059 53.953 54.840 0.287 0.000 0.803 421 L CB 1.136 43.393 42.059 0.331 0.000 1.161 421 L HN 0.364 nan 8.230 nan 0.000 0.462 422 A N 0.747 123.793 122.820 0.378 0.000 2.427 422 A HA 0.409 4.728 4.320 -0.001 0.000 0.298 422 A C -1.255 176.206 177.584 -0.205 0.000 1.036 422 A CA -0.480 51.640 52.037 0.139 0.000 0.701 422 A CB 0.906 19.942 19.000 0.061 0.000 1.250 422 A HN 0.525 nan 8.150 nan 0.000 0.412 423 Y N 2.708 122.345 120.300 -1.105 0.000 2.721 423 Y HA 0.112 4.662 4.550 -0.001 0.000 0.329 423 Y C 1.041 176.659 175.900 -0.470 0.000 1.211 423 Y CA 0.477 57.871 58.100 -1.177 0.000 1.512 423 Y CB 0.660 38.271 38.460 -1.415 0.000 1.249 423 Y HN 0.798 nan 8.280 nan 0.000 0.549 424 D N 3.097 123.055 120.400 -0.736 0.000 2.324 424 D HA 0.088 4.727 4.640 -0.001 0.000 0.235 424 D C 1.631 177.476 176.300 -0.759 0.000 1.095 424 D CA 0.573 54.258 54.000 -0.526 0.000 0.871 424 D CB -0.558 40.106 40.800 -0.226 0.000 0.906 424 D HN 0.881 nan 8.370 nan 0.000 0.522 425 G N -0.807 107.105 108.800 -1.479 0.000 2.196 425 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.268 425 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.268 425 G C 0.929 175.461 174.900 -0.613 0.000 0.975 425 G CA 0.603 45.148 45.100 -0.926 0.000 0.648 425 G HN 0.943 nan 8.290 nan 0.000 0.538 426 A N -1.961 120.433 122.820 -0.711 0.000 1.878 426 A HA 0.776 5.096 4.320 -0.001 0.000 0.201 426 A C 1.656 179.154 177.584 -0.144 0.000 1.684 426 A CA 1.458 53.341 52.037 -0.257 0.000 1.113 426 A CB 0.256 19.140 19.000 -0.193 0.000 1.131 426 A HN 0.920 nan 8.150 nan 0.000 0.472 427 L N -2.833 118.250 121.223 -0.234 0.000 2.249 427 L HA 0.282 4.622 4.340 -0.001 0.000 0.204 427 L C -0.528 176.350 176.870 0.013 0.000 1.135 427 L CA -0.069 54.662 54.840 -0.181 0.000 1.070 427 L CB 0.326 42.020 42.059 -0.609 0.000 2.194 427 L HN 0.411 nan 8.230 nan 0.000 0.504 428 W N -0.305 121.070 121.300 0.124 0.000 2.497 428 W HA 0.273 4.933 4.660 -0.001 0.000 0.359 428 W C -0.974 175.637 176.519 0.153 0.000 1.131 428 W CA -0.712 56.737 57.345 0.173 0.000 1.280 428 W CB 0.367 29.881 29.460 0.089 0.000 1.319 428 W HN -0.043 nan 8.180 nan 0.000 0.626 429 W N 1.523 123.049 121.300 0.377 0.000 2.429 429 W HA 0.409 5.068 4.660 -0.001 0.000 0.314 429 W C 0.537 177.143 176.519 0.145 0.000 1.062 429 W CA -0.030 57.466 57.345 0.252 0.000 1.211 429 W CB 1.492 31.064 29.460 0.188 0.000 1.305 429 W HN 0.094 nan 8.180 nan 0.000 0.476 430 T N 0.216 114.924 114.554 0.257 0.000 2.773 430 T HA 0.958 5.308 4.350 -0.001 0.000 0.278 430 T C -0.601 174.169 174.700 0.117 0.000 1.011 430 T CA -0.837 61.348 62.100 0.140 0.000 1.014 430 T CB 2.028 70.942 68.868 0.077 0.000 1.293 430 T HN 0.987 nan 8.240 nan 0.000 0.554 431 A N 0.505 123.369 122.820 0.073 0.000 2.586 431 A HA 0.670 4.989 4.320 -0.001 0.000 0.298 431 A C -3.406 174.226 177.584 0.080 0.000 1.013 431 A CA -1.245 50.836 52.037 0.074 0.000 0.707 431 A CB 0.190 19.237 19.000 0.079 0.000 1.276 431 A HN 0.680 nan 8.150 nan 0.000 0.414 432 P HA 0.469 nan 4.420 nan 0.000 0.275 432 P C -1.133 176.293 177.300 0.210 0.000 1.228 432 P CA 0.287 63.452 63.100 0.109 0.000 0.786 432 P CB 0.428 32.170 31.700 0.071 0.000 0.927 433 W N 3.307 124.592 121.300 -0.024 0.000 2.934 433 W HA 0.440 5.100 4.660 -0.000 0.000 0.333 433 W C -1.320 175.185 176.519 -0.023 0.000 1.035 433 W CA -0.606 56.726 57.345 -0.021 0.000 1.256 433 W CB 1.170 30.613 29.460 -0.028 0.000 1.306 433 W HN 0.136 nan 8.180 nan 0.000 0.430 434 S N 7.712 123.295 115.700 -0.196 0.000 2.512 434 S HA 0.522 4.992 4.470 -0.001 0.000 0.291 434 S C -1.822 172.467 174.600 -0.519 0.000 1.151 434 S CA -1.028 56.963 58.200 -0.349 0.000 1.120 434 S CB 0.006 63.123 63.200 -0.137 0.000 1.029 434 S HN 0.314 nan 8.310 nan 0.000 0.485 446 T N 2.255 116.909 114.554 0.167 0.000 2.788 446 T HA 0.617 4.967 4.350 -0.001 0.000 0.296 446 T C -1.077 173.596 174.700 -0.045 0.000 1.009 446 T CA -0.261 61.873 62.100 0.057 0.000 0.949 446 T CB 0.917 69.821 68.868 0.059 0.000 0.946 446 T HN -0.078 nan 8.240 nan 0.000 0.453 447 V N 5.097 124.953 119.914 -0.096 0.000 2.370 447 V HA 0.495 4.615 4.120 -0.001 0.000 0.283 447 V C 0.214 176.234 176.094 -0.124 0.000 1.023 447 V CA -0.653 61.533 62.300 -0.190 0.000 0.857 447 V CB 1.590 33.253 31.823 -0.267 0.000 0.985 447 V HN 0.905 nan 8.190 nan 0.000 0.443 448 T N 4.164 118.645 114.554 -0.122 0.000 2.809 448 T HA 0.698 5.048 4.350 -0.001 0.000 0.284 448 T C -0.043 174.601 174.700 -0.093 0.000 0.992 448 T CA -0.342 61.708 62.100 -0.083 0.000 0.957 448 T CB 1.607 70.440 68.868 -0.060 0.000 0.942 448 T HN 0.841 nan 8.240 nan 0.000 0.439 449 A N 2.997 125.770 122.820 -0.078 0.000 2.292 449 A HA 0.741 5.061 4.320 -0.001 0.000 0.319 449 A C 0.158 177.695 177.584 -0.078 0.000 1.206 449 A CA -0.611 51.377 52.037 -0.083 0.000 0.835 449 A CB 0.513 19.468 19.000 -0.075 0.000 1.164 449 A HN 0.700 nan 8.150 nan 0.000 0.505 450 T N 1.731 116.228 114.554 -0.095 0.000 2.841 450 T HA 0.649 4.998 4.350 -0.001 0.000 0.285 450 T C -0.387 174.225 174.700 -0.147 0.000 0.991 450 T CA -0.012 62.029 62.100 -0.097 0.000 0.966 450 T CB 1.515 70.335 68.868 -0.080 0.000 0.962 450 T HN 1.134 nan 8.240 nan 0.000 0.438 451 A N 2.554 125.278 122.820 -0.160 0.000 2.319 451 A HA 0.649 4.969 4.320 -0.001 0.000 0.310 451 A C 0.242 177.716 177.584 -0.184 0.000 1.152 451 A CA -0.750 51.141 52.037 -0.244 0.000 0.783 451 A CB 0.646 19.477 19.000 -0.283 0.000 1.184 451 A HN 0.659 nan 8.150 nan 0.000 0.474 452 T N 2.869 117.310 114.554 -0.188 0.000 2.776 452 T HA 0.364 4.713 4.350 -0.001 0.000 0.292 452 T C 0.407 175.032 174.700 -0.124 0.000 0.921 452 T CA 0.648 62.673 62.100 -0.124 0.000 1.038 452 T CB 0.000 68.810 68.868 -0.098 0.000 0.910 452 T HN 0.695 nan 8.240 nan 0.000 0.536 453 T N 1.375 115.872 114.554 -0.095 0.000 2.949 453 T HA 0.586 4.936 4.350 -0.001 0.000 0.287 453 T C 1.539 176.213 174.700 -0.044 0.000 1.034 453 T CA -0.321 61.734 62.100 -0.076 0.000 1.018 453 T CB 0.926 69.752 68.868 -0.070 0.000 1.135 453 T HN 0.453 nan 8.240 nan 0.000 0.532 454 A N 0.932 123.733 122.820 -0.032 0.000 2.125 454 A HA 0.260 4.579 4.320 -0.001 0.000 0.219 454 A C 1.927 179.500 177.584 -0.018 0.000 1.156 454 A CA 1.651 53.676 52.037 -0.020 0.000 0.671 454 A CB -0.700 18.292 19.000 -0.013 0.000 0.794 454 A HN 0.900 nan 8.150 nan 0.000 0.459 455 A N -1.497 121.310 122.820 -0.021 0.000 2.423 455 A HA 0.530 4.850 4.320 -0.001 0.000 0.246 455 A C 1.122 178.694 177.584 -0.020 0.000 1.278 455 A CA 0.925 52.952 52.037 -0.017 0.000 0.903 455 A CB -0.798 18.193 19.000 -0.015 0.000 0.997 455 A HN 1.988 nan 8.150 nan 0.000 0.510 456 G N -1.465 107.320 108.800 -0.025 0.000 2.434 456 G HA2 0.041 4.001 3.960 -0.001 0.000 0.671 456 G HA3 0.041 4.001 3.960 -0.001 0.000 0.671 456 G C -0.383 174.494 174.900 -0.038 0.000 1.280 456 G CA -0.441 44.642 45.100 -0.027 0.000 0.975 456 G HN 0.485 nan 8.290 nan 0.000 0.510 457 T N 1.539 116.071 114.554 -0.037 0.000 2.729 457 T HA 0.547 4.897 4.350 -0.001 0.000 0.296 457 T C 0.543 175.218 174.700 -0.041 0.000 0.928 457 T CA 0.077 62.149 62.100 -0.047 0.000 1.045 457 T CB 0.222 69.065 68.868 -0.042 0.000 0.902 457 T HN 0.568 nan 8.240 nan 0.000 0.500 458 L N 4.398 125.590 121.223 -0.051 0.000 2.329 458 L HA 0.677 5.017 4.340 -0.001 0.000 0.279 458 L C -0.268 176.577 176.870 -0.042 0.000 1.014 458 L CA -1.139 53.679 54.840 -0.036 0.000 0.814 458 L CB 1.489 43.530 42.059 -0.029 0.000 1.257 458 L HN 0.642 nan 8.230 nan 0.000 0.424 459 D N 1.525 121.910 120.400 -0.025 0.000 2.547 459 D HA 0.688 5.328 4.640 -0.001 0.000 0.231 459 D C -1.058 175.237 176.300 -0.008 0.000 1.099 459 D CA -0.742 53.242 54.000 -0.028 0.000 0.901 459 D CB 2.678 43.460 40.800 -0.030 0.000 1.478 459 D HN 0.271 nan 8.370 nan 0.000 0.471 460 V N -0.627 119.280 119.914 -0.011 0.000 3.120 460 V HA 0.732 4.852 4.120 -0.001 0.000 0.303 460 V C -1.610 174.479 176.094 -0.009 0.000 1.238 460 V CA -0.249 62.054 62.300 0.006 0.000 1.008 460 V CB 2.419 34.262 31.823 0.034 0.000 1.064 460 V HN 0.863 nan 8.190 nan 0.000 0.434 461 T N 4.718 119.271 114.554 -0.001 0.000 2.937 461 T HA 0.535 4.885 4.350 -0.001 0.000 0.297 461 T C -0.913 173.785 174.700 -0.003 0.000 0.991 461 T CA -0.456 61.638 62.100 -0.011 0.000 0.990 461 T CB 1.199 70.064 68.868 -0.006 0.000 0.991 461 T HN 0.689 nan 8.240 nan 0.000 0.440 462 N N 2.131 120.821 118.700 -0.017 0.000 2.417 462 N HA 0.479 5.219 4.740 -0.001 0.000 0.300 462 N C -0.615 174.891 175.510 -0.007 0.000 1.102 462 N CA -0.761 52.283 53.050 -0.010 0.000 0.886 462 N CB 1.677 40.150 38.487 -0.024 0.000 1.203 462 N HN 0.705 nan 8.380 nan 0.000 0.496 463 E N 1.186 121.391 120.200 0.008 0.000 2.185 463 E HA 0.496 4.846 4.350 -0.001 0.000 0.261 463 E C -0.734 175.854 176.600 -0.020 0.000 0.879 463 E CA -0.696 55.718 56.400 0.023 0.000 0.756 463 E CB 0.813 30.553 29.700 0.066 0.000 1.152 463 E HN 0.401 nan 8.360 nan 0.000 0.416 464 V N 1.084 120.948 119.914 -0.083 0.000 3.624 464 V HA 1.045 5.165 4.120 -0.001 0.000 0.297 464 V C -0.567 175.278 176.094 -0.415 0.000 1.319 464 V CA -0.211 61.999 62.300 -0.149 0.000 0.990 464 V CB 1.060 32.858 31.823 -0.041 0.000 1.247 464 V HN 0.783 nan 8.190 nan 0.000 0.476 465 A N -0.916 121.712 122.820 -0.321 0.000 2.599 465 A HA 0.946 5.266 4.320 -0.001 0.000 0.294 465 A C -0.490 176.976 177.584 -0.196 0.000 1.055 465 A CA -0.240 51.528 52.037 -0.447 0.000 0.683 465 A CB 0.819 19.608 19.000 -0.353 0.000 1.278 465 A HN 2.346 nan 8.150 nan 0.000 0.412 466 A N -0.072 122.664 122.820 -0.139 0.000 2.256 466 A HA 0.879 5.198 4.320 -0.001 0.000 0.318 466 A C 0.914 178.468 177.584 -0.050 0.000 1.103 466 A CA 0.313 52.303 52.037 -0.079 0.000 0.860 466 A CB 0.877 19.850 19.000 -0.046 0.000 1.182 466 A HN 2.359 nan 8.150 nan 0.000 0.501 467 A N -1.145 121.644 122.820 -0.051 0.000 1.988 467 A HA 0.671 4.991 4.320 -0.001 0.000 0.201 467 A C 0.659 178.229 177.584 -0.023 0.000 1.410 467 A CA 1.711 53.728 52.037 -0.033 0.000 0.832 467 A CB -0.563 18.414 19.000 -0.038 0.000 0.981 467 A HN 2.610 nan 8.150 nan 0.000 0.492 468 L N 0.000 121.203 121.223 -0.033 0.000 2.949 468 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 468 L CA 0.000 nan 54.840 nan 0.000 0.813 468 L CB 0.000 nan 42.059 nan 0.000 0.961 468 L HN 0.000 nan 8.230 nan 0.000 0.502