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 2bvy_1_A 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 0.040 0.000 1.109 5 T CA 0.000 62.121 62.100 0.035 0.000 1.349 5 T CB 0.000 68.885 68.868 0.028 0.000 0.612 6 I N -0.573 120.025 120.570 0.047 0.000 2.785 6 I HA 0.964 5.134 4.170 -0.000 0.000 0.302 6 I C -0.112 176.038 176.117 0.057 0.000 1.069 6 I CA -1.569 59.764 61.300 0.055 0.000 1.045 6 I CB 2.001 40.043 38.000 0.069 0.000 1.236 6 I HN 0.734 nan 8.210 nan 0.000 0.429 7 A N 6.293 129.149 122.820 0.059 0.000 2.376 7 A HA 0.593 4.912 4.320 -0.000 0.000 0.298 7 A C -0.461 177.170 177.584 0.079 0.000 1.271 7 A CA -0.183 51.889 52.037 0.058 0.000 0.926 7 A CB -0.255 18.778 19.000 0.055 0.000 1.141 7 A HN 0.755 nan 8.150 nan 0.000 0.539 8 I N 3.674 124.291 120.570 0.078 0.000 2.498 8 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 8 I C 0.831 177.008 176.117 0.099 0.000 1.032 8 I CA -0.791 60.575 61.300 0.109 0.000 1.073 8 I CB 2.060 40.130 38.000 0.116 0.000 1.251 8 I HN 0.365 nan 8.210 nan 0.000 0.426 9 V N 4.565 124.563 119.914 0.140 0.000 2.317 9 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 9 V C 0.728 176.874 176.094 0.086 0.000 1.065 9 V CA 1.972 64.334 62.300 0.103 0.000 1.049 9 V CB -0.655 31.294 31.823 0.210 0.000 0.651 9 V HN 0.799 nan 8.190 nan 0.000 0.450 10 D N -0.759 119.737 120.400 0.159 0.000 2.485 10 D HA 0.472 5.112 4.640 -0.000 0.000 0.221 10 D C 0.947 177.295 176.300 0.080 0.000 1.112 10 D CA 0.409 54.483 54.000 0.124 0.000 0.911 10 D CB 1.100 42.013 40.800 0.187 0.000 1.019 10 D HN 0.179 nan 8.370 nan 0.000 0.516 11 A N 3.540 126.386 122.820 0.043 0.000 2.076 11 A HA -0.134 4.185 4.320 -0.000 0.000 0.220 11 A C 1.081 178.682 177.584 0.028 0.000 1.160 11 A CA 1.069 53.125 52.037 0.031 0.000 0.653 11 A CB 0.047 19.055 19.000 0.012 0.000 0.801 11 A HN 0.511 nan 8.150 nan 0.000 0.455 12 D N -0.164 120.251 120.400 0.025 0.000 2.894 12 D HA 0.461 5.101 4.640 -0.000 0.000 0.273 12 D C 0.132 176.441 176.300 0.016 0.000 1.328 12 D CA 0.309 54.317 54.000 0.013 0.000 0.845 12 D CB 0.288 41.087 40.800 -0.002 0.000 1.072 12 D HN 0.402 nan 8.370 nan 0.000 0.484 13 A N 0.711 123.552 122.820 0.036 0.000 2.304 13 A HA 0.468 4.788 4.320 -0.000 0.000 0.271 13 A C 1.052 178.649 177.584 0.021 0.000 1.091 13 A CA -0.461 51.598 52.037 0.038 0.000 0.812 13 A CB 0.374 19.421 19.000 0.078 0.000 1.056 13 A HN 0.214 nan 8.150 nan 0.000 0.489 14 T N -1.118 113.437 114.554 0.002 0.000 2.791 14 T HA 0.321 4.671 4.350 -0.000 0.000 0.323 14 T C 1.331 176.041 174.700 0.017 0.000 1.082 14 T CA 0.183 62.278 62.100 -0.008 0.000 1.084 14 T CB 0.542 69.386 68.868 -0.039 0.000 0.992 14 T HN 1.370 nan 8.240 nan 0.000 0.547 15 A N 1.192 124.021 122.820 0.014 0.000 1.933 15 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 15 A C 2.236 179.860 177.584 0.065 0.000 1.175 15 A CA 1.696 53.755 52.037 0.037 0.000 0.628 15 A CB -0.970 18.047 19.000 0.027 0.000 0.814 15 A HN 0.917 nan 8.150 nan 0.000 0.444 16 E N -0.355 119.872 120.200 0.045 0.000 2.077 16 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 16 E C 2.134 178.837 176.600 0.172 0.000 0.989 16 E CA 1.774 58.230 56.400 0.093 0.000 0.800 16 E CB -0.729 28.909 29.700 -0.102 0.000 0.746 16 E HN 0.593 nan 8.360 nan 0.000 0.452 17 T N 0.684 115.291 114.554 0.088 0.000 2.708 17 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 17 T C 1.776 176.570 174.700 0.157 0.000 1.037 17 T CA 1.315 63.490 62.100 0.125 0.000 1.146 17 T CB -0.176 68.743 68.868 0.084 0.000 0.865 17 T HN 0.121 nan 8.240 nan 0.000 0.435 18 R N 0.852 121.427 120.500 0.124 0.000 2.096 18 R HA -0.038 4.301 4.340 -0.000 0.000 0.235 18 R C 2.918 179.300 176.300 0.137 0.000 1.127 18 R CA 1.356 57.528 56.100 0.120 0.000 0.968 18 R CB -0.529 29.825 30.300 0.090 0.000 0.861 18 R HN 0.277 nan 8.270 nan 0.000 0.440 19 S N 1.101 116.893 115.700 0.152 0.000 2.356 19 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 19 S C 1.919 176.628 174.600 0.180 0.000 1.032 19 S CA 0.997 59.290 58.200 0.156 0.000 1.005 19 S CB -0.175 63.121 63.200 0.161 0.000 0.867 19 S HN 0.222 nan 8.310 nan 0.000 0.449 20 L N 1.874 123.243 121.223 0.243 0.000 2.012 20 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 20 L C 2.220 179.224 176.870 0.223 0.000 1.073 20 L CA 1.786 56.760 54.840 0.223 0.000 0.748 20 L CB -0.808 41.469 42.059 0.363 0.000 0.891 20 L HN 0.440 nan 8.230 nan 0.000 0.431 21 L N -1.292 120.052 121.223 0.202 0.000 2.042 21 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 21 L C 2.657 179.620 176.870 0.155 0.000 1.076 21 L CA 1.914 56.862 54.840 0.180 0.000 0.749 21 L CB -0.406 41.753 42.059 0.167 0.000 0.893 21 L HN 0.553 nan 8.230 nan 0.000 0.432 22 S N -1.191 114.598 115.700 0.148 0.000 2.356 22 S HA -0.289 4.181 4.470 -0.000 0.000 0.223 22 S C 1.997 176.669 174.600 0.121 0.000 1.032 22 S CA 1.469 59.741 58.200 0.120 0.000 1.005 22 S CB -0.519 62.749 63.200 0.114 0.000 0.867 22 S HN 0.557 nan 8.310 nan 0.000 0.449 23 Y N 2.052 122.366 120.300 0.023 0.000 2.128 23 Y HA -0.109 4.441 4.550 -0.001 0.000 0.284 23 Y C 2.002 177.910 175.900 0.014 0.000 1.154 23 Y CA 1.919 60.014 58.100 -0.007 0.000 1.149 23 Y CB -0.583 37.836 38.460 -0.069 0.000 0.976 23 Y HN 0.263 nan 8.280 nan 0.000 0.505 24 L N -0.116 121.151 121.223 0.073 0.000 2.042 24 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 24 L C 2.212 179.070 176.870 -0.019 0.000 1.076 24 L CA 1.910 56.769 54.840 0.031 0.000 0.749 24 L CB -0.660 41.509 42.059 0.183 0.000 0.893 24 L HN 0.258 nan 8.230 nan 0.000 0.432 25 D N -0.074 120.336 120.400 0.015 0.000 2.149 25 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 25 D C 2.118 178.393 176.300 -0.041 0.000 0.972 25 D CA 1.275 55.282 54.000 0.011 0.000 0.835 25 D CB -0.024 40.801 40.800 0.043 0.000 0.966 25 D HN 0.192 nan 8.370 nan 0.000 0.476 26 G N -0.304 108.445 108.800 -0.085 0.000 2.484 26 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 26 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 26 G C 1.689 176.486 174.900 -0.172 0.000 1.130 26 G CA 0.467 45.503 45.100 -0.106 0.000 0.784 26 G HN 0.292 nan 8.290 nan 0.000 0.543 27 V N 0.618 120.362 119.914 -0.284 0.000 2.809 27 V HA 0.074 4.193 4.120 -0.000 0.000 0.256 27 V C 1.530 177.530 176.094 -0.157 0.000 1.080 27 V CA 0.313 62.433 62.300 -0.301 0.000 1.102 27 V CB -0.351 31.206 31.823 -0.443 0.000 0.705 27 V HN 0.283 nan 8.190 nan 0.000 0.475 28 R N 0.173 120.619 120.500 -0.090 0.000 2.480 28 R HA 0.232 4.572 4.340 -0.000 0.000 0.303 28 R C 1.404 177.714 176.300 0.016 0.000 0.985 28 R CA 0.904 56.990 56.100 -0.023 0.000 1.051 28 R CB -0.202 30.097 30.300 -0.002 0.000 0.935 28 R HN 0.491 nan 8.270 nan 0.000 0.410 29 G N 2.416 111.271 108.800 0.092 0.000 2.268 29 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.240 29 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.240 29 G C 0.841 175.884 174.900 0.238 0.000 1.010 29 G CA 0.182 45.383 45.100 0.169 0.000 0.618 29 G HN 0.570 nan 8.290 nan 0.000 0.516 30 E N 0.551 120.799 120.200 0.079 0.000 2.057 30 E HA 0.365 4.715 4.350 -0.000 0.000 0.190 30 E C 1.439 177.933 176.600 -0.177 0.000 0.969 30 E CA 1.419 57.837 56.400 0.029 0.000 0.812 30 E CB 0.024 29.690 29.700 -0.057 0.000 0.777 30 E HN 1.099 nan 8.360 nan 0.000 0.455 31 G N 0.275 108.762 108.800 -0.522 0.000 2.677 31 G HA2 0.557 4.516 3.960 -0.000 0.000 0.291 31 G HA3 0.557 4.516 3.960 -0.000 0.000 0.291 31 G C -1.653 172.776 174.900 -0.785 0.000 1.435 31 G CA -0.663 43.801 45.100 -1.059 0.000 0.826 31 G HN 0.066 nan 8.290 nan 0.000 0.491 32 I N 1.003 121.116 120.570 -0.761 0.000 2.436 32 I HA 0.472 4.642 4.170 -0.000 0.000 0.289 32 I C -0.329 175.735 176.117 -0.088 0.000 1.010 32 I CA -1.183 59.967 61.300 -0.250 0.000 1.098 32 I CB 1.277 39.246 38.000 -0.052 0.000 1.266 32 I HN 0.294 nan 8.210 nan 0.000 0.434 33 L N 7.204 128.446 121.223 0.032 0.000 2.410 33 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 33 L C -0.369 176.566 176.870 0.108 0.000 1.152 33 L CA -0.042 54.834 54.840 0.060 0.000 0.855 33 L CB 0.342 42.460 42.059 0.098 0.000 1.129 33 L HN 0.534 nan 8.230 nan 0.000 0.463 34 F N 2.366 122.213 119.950 -0.171 0.000 2.396 34 F HA 0.638 5.164 4.527 -0.002 0.000 0.343 34 F C 0.483 176.246 175.800 -0.062 0.000 1.104 34 F CA -0.484 57.447 58.000 -0.116 0.000 1.161 34 F CB 1.397 40.120 39.000 -0.462 0.000 1.146 34 F HN 0.369 nan 8.300 nan 0.000 0.522 35 G N 4.150 112.399 108.800 -0.918 0.000 2.519 35 G HA2 0.418 4.378 3.960 -0.000 0.000 0.307 35 G HA3 0.418 4.378 3.960 -0.000 0.000 0.307 35 G C -2.220 172.155 174.900 -0.874 0.000 1.266 35 G CA -0.626 44.064 45.100 -0.683 0.000 0.970 35 G HN 0.903 nan 8.290 nan 0.000 0.481 36 H N 0.560 119.221 119.070 -0.682 0.000 2.856 36 H HA 0.382 4.938 4.556 -0.001 0.000 0.355 36 H C -0.987 174.004 175.328 -0.562 0.000 1.079 36 H CA -0.668 55.061 56.048 -0.532 0.000 1.240 36 H CB 2.475 32.034 29.762 -0.339 0.000 1.701 36 H HN 0.478 nan 8.280 nan 0.000 0.527 37 Q N 3.280 122.574 119.800 -0.843 0.000 2.332 37 Q HA 0.066 4.405 4.340 -0.000 0.000 0.263 37 Q C -0.087 175.276 176.000 -1.063 0.000 0.979 37 Q CA 0.323 55.468 55.803 -1.097 0.000 0.885 37 Q CB 0.079 27.866 28.738 -1.585 0.000 1.218 37 Q HN 0.758 nan 8.270 nan 0.000 0.405 38 H N 2.197 120.749 119.070 -0.864 0.000 2.690 38 H HA -0.204 4.352 4.556 0.000 0.000 0.309 38 H C 0.775 175.845 175.328 -0.430 0.000 1.138 38 H CA 1.131 56.904 56.048 -0.458 0.000 1.142 38 H CB -1.575 28.133 29.762 -0.091 0.000 1.410 38 H HN 0.787 nan 8.280 nan 0.000 0.409 39 T N -0.346 113.869 114.554 -0.566 0.000 2.803 39 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 39 T C 1.952 176.661 174.700 0.015 0.000 1.052 39 T CA 2.082 63.999 62.100 -0.305 0.000 1.136 39 T CB -0.023 68.632 68.868 -0.355 0.000 0.864 39 T HN 0.734 nan 8.240 nan 0.000 0.467 40 T N -1.654 112.995 114.554 0.158 0.000 3.085 40 T HA 0.271 4.621 4.350 -0.000 0.000 0.264 40 T C 1.635 176.542 174.700 0.345 0.000 1.019 40 T CA 0.534 62.813 62.100 0.298 0.000 0.910 40 T CB 0.181 69.283 68.868 0.390 0.000 1.059 40 T HN 0.359 nan 8.240 nan 0.000 0.542 41 S N -0.332 115.600 115.700 0.387 0.000 2.554 41 S HA 0.450 4.920 4.470 -0.000 0.000 0.227 41 S C -0.221 174.291 174.600 -0.146 0.000 1.050 41 S CA -0.599 57.773 58.200 0.286 0.000 0.927 41 S CB -0.107 63.368 63.200 0.458 0.000 0.859 41 S HN 0.322 nan 8.310 nan 0.000 0.494 42 F N 1.394 121.396 119.950 0.085 0.000 2.536 42 F HA 0.759 5.284 4.527 -0.002 0.000 0.322 42 F C 0.396 176.199 175.800 0.005 0.000 1.144 42 F CA -0.338 57.672 58.000 0.017 0.000 0.924 42 F CB 2.135 41.095 39.000 -0.068 0.000 1.181 42 F HN 0.285 nan 8.300 nan 0.000 0.438 43 G N 2.923 111.835 108.800 0.186 0.000 2.720 43 G HA2 0.486 4.446 3.960 -0.000 0.000 0.295 43 G HA3 0.486 4.446 3.960 -0.000 0.000 0.295 43 G C -0.478 174.454 174.900 0.053 0.000 1.437 43 G CA -0.765 44.397 45.100 0.102 0.000 0.886 43 G HN 0.577 nan 8.290 nan 0.000 0.509 44 L N 0.360 121.573 121.223 -0.015 0.000 2.554 44 L HA 0.183 4.523 4.340 -0.000 0.000 0.225 44 L C 2.265 179.109 176.870 -0.043 0.000 1.104 44 L CA 1.214 56.020 54.840 -0.057 0.000 0.866 44 L CB 0.395 42.346 42.059 -0.179 0.000 1.047 44 L HN 0.699 nan 8.230 nan 0.000 0.468 45 T N -5.875 108.660 114.554 -0.031 0.000 3.043 45 T HA 0.021 4.371 4.350 -0.000 0.000 0.272 45 T C 1.474 176.169 174.700 -0.008 0.000 0.990 45 T CA 0.504 62.589 62.100 -0.024 0.000 0.897 45 T CB 0.029 68.877 68.868 -0.034 0.000 1.111 45 T HN 0.216 nan 8.240 nan 0.000 0.529 46 T N -1.253 113.304 114.554 0.005 0.000 3.035 46 T HA 0.508 4.857 4.350 -0.000 0.000 0.259 46 T C 1.544 176.256 174.700 0.019 0.000 1.078 46 T CA 0.524 62.634 62.100 0.017 0.000 1.132 46 T CB -0.577 68.313 68.868 0.036 0.000 0.900 46 T HN 1.240 nan 8.240 nan 0.000 0.480 47 G N 2.097 110.907 108.800 0.017 0.000 2.725 47 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 47 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 47 G C -2.784 172.127 174.900 0.018 0.000 1.357 47 G CA -0.814 44.295 45.100 0.016 0.000 0.866 47 G HN 0.490 nan 8.290 nan 0.000 0.548 48 P HA 0.272 nan 4.420 nan 0.000 0.263 48 P C 0.687 178.001 177.300 0.022 0.000 1.168 48 P CA 1.091 64.198 63.100 0.012 0.000 0.759 48 P CB 0.285 31.993 31.700 0.013 0.000 0.782 49 T N -1.251 113.316 114.554 0.021 0.000 2.928 49 T HA 0.510 4.859 4.350 -0.000 0.000 0.284 49 T C 0.179 174.935 174.700 0.092 0.000 1.008 49 T CA -0.519 61.614 62.100 0.056 0.000 1.057 49 T CB 1.293 70.202 68.868 0.068 0.000 1.018 49 T HN 0.450 nan 8.240 nan 0.000 0.493 50 D N -1.412 119.023 120.400 0.059 0.000 2.602 50 D HA 0.240 4.880 4.640 -0.000 0.000 0.265 50 D C 1.268 177.361 176.300 -0.346 0.000 1.454 50 D CA 0.025 54.036 54.000 0.019 0.000 0.795 50 D CB -0.528 40.279 40.800 0.011 0.000 1.140 50 D HN 1.166 nan 8.370 nan 0.000 0.486 51 G N 0.519 109.018 108.800 -0.502 0.000 2.143 51 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.249 51 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.249 51 G C 0.904 175.670 174.900 -0.223 0.000 0.981 51 G CA 0.989 45.587 45.100 -0.837 0.000 0.665 51 G HN 0.852 nan 8.290 nan 0.000 0.528 52 T N -3.035 111.499 114.554 -0.033 0.000 3.016 52 T HA 0.477 4.827 4.350 -0.000 0.000 0.271 52 T C 0.782 175.677 174.700 0.325 0.000 0.968 52 T CA 1.333 63.495 62.100 0.103 0.000 0.891 52 T CB 0.735 69.627 68.868 0.041 0.000 1.149 52 T HN 1.340 nan 8.240 nan 0.000 0.524 53 T N -0.231 114.482 114.554 0.265 0.000 2.908 53 T HA 0.752 5.101 4.350 -0.000 0.000 0.290 53 T C -0.736 174.081 174.700 0.195 0.000 1.034 53 T CA -0.745 61.493 62.100 0.230 0.000 1.010 53 T CB 2.041 70.974 68.868 0.109 0.000 1.068 53 T HN 0.193 nan 8.240 nan 0.000 0.481 54 S N -0.010 115.710 115.700 0.035 0.000 2.541 54 S HA 0.369 4.839 4.470 -0.000 0.000 0.271 54 S C -0.063 174.506 174.600 -0.052 0.000 1.133 54 S CA -0.644 57.563 58.200 0.012 0.000 0.876 54 S CB 1.727 64.935 63.200 0.014 0.000 1.105 54 S HN 0.687 nan 8.310 nan 0.000 0.470 55 D N 2.349 122.756 120.400 0.011 0.000 2.178 55 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 55 D C 2.000 178.276 176.300 -0.041 0.000 0.980 55 D CA 1.079 55.066 54.000 -0.023 0.000 0.842 55 D CB -0.050 40.739 40.800 -0.018 0.000 0.948 55 D HN 0.334 nan 8.370 nan 0.000 0.472 56 V N 0.892 120.801 119.914 -0.009 0.000 2.358 56 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 56 V C 2.388 178.475 176.094 -0.013 0.000 1.047 56 V CA 1.524 63.870 62.300 0.075 0.000 1.035 56 V CB -0.366 31.598 31.823 0.234 0.000 0.658 56 V HN 0.090 nan 8.190 nan 0.000 0.452 57 K N 1.174 121.446 120.400 -0.214 0.000 2.057 57 K HA -0.164 4.155 4.320 -0.000 0.000 0.207 57 K C 1.804 178.265 176.600 -0.232 0.000 1.049 57 K CA 1.842 57.881 56.287 -0.414 0.000 0.931 57 K CB -0.526 31.351 32.500 -1.040 0.000 0.714 57 K HN 0.419 nan 8.250 nan 0.000 0.440 58 N N 0.004 118.603 118.700 -0.169 0.000 2.244 58 N HA -0.112 4.627 4.740 -0.000 0.000 0.183 58 N C 1.518 176.989 175.510 -0.064 0.000 1.016 58 N CA 1.610 54.600 53.050 -0.099 0.000 0.866 58 N CB -0.068 38.377 38.487 -0.070 0.000 0.980 58 N HN 0.337 nan 8.380 nan 0.000 0.430 59 V N -2.515 117.375 119.914 -0.041 0.000 3.590 59 V HA 0.230 4.349 4.120 -0.000 0.000 0.265 59 V C 1.613 177.693 176.094 -0.025 0.000 1.239 59 V CA 1.314 63.610 62.300 -0.007 0.000 1.117 59 V CB -0.034 31.816 31.823 0.044 0.000 0.818 59 V HN 0.330 nan 8.190 nan 0.000 0.451 60 T N -4.650 109.860 114.554 -0.074 0.000 2.958 60 T HA 0.492 4.842 4.350 -0.000 0.000 0.256 60 T C 1.682 176.254 174.700 -0.213 0.000 0.983 60 T CA 1.119 63.102 62.100 -0.194 0.000 0.924 60 T CB 0.784 69.449 68.868 -0.338 0.000 1.136 60 T HN 1.494 nan 8.240 nan 0.000 0.506 61 G N 0.816 109.525 108.800 -0.152 0.000 2.213 61 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.236 61 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.236 61 G C -0.347 174.499 174.900 -0.089 0.000 0.991 61 G CA 0.170 45.199 45.100 -0.119 0.000 0.629 61 G HN 0.804 nan 8.290 nan 0.000 0.517 62 D N -0.903 119.438 120.400 -0.098 0.000 2.661 62 D HA 0.632 5.272 4.640 -0.000 0.000 0.228 62 D C -0.229 176.178 176.300 0.179 0.000 1.183 62 D CA -0.711 53.335 54.000 0.076 0.000 0.844 62 D CB 1.043 41.908 40.800 0.108 0.000 1.555 62 D HN -0.095 nan 8.370 nan 0.000 0.453 63 F N 1.692 121.805 119.950 0.270 0.000 2.406 63 F HA 0.331 4.859 4.527 0.001 0.000 0.327 63 F C -1.228 174.808 175.800 0.394 0.000 1.153 63 F CA -1.059 57.111 58.000 0.283 0.000 1.218 63 F CB 0.248 39.453 39.000 0.341 0.000 1.215 63 F HN 0.078 nan 8.300 nan 0.000 0.570 64 P HA 0.045 nan 4.420 nan 0.000 0.272 64 P C -0.393 177.052 177.300 0.241 0.000 1.240 64 P CA 0.014 63.265 63.100 0.252 0.000 0.791 64 P CB 0.841 32.528 31.700 -0.021 0.000 0.978 65 A N 1.940 124.814 122.820 0.090 0.000 2.016 65 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 65 A C 0.952 178.644 177.584 0.179 0.000 1.162 65 A CA 1.143 53.273 52.037 0.155 0.000 0.662 65 A CB -0.376 18.661 19.000 0.063 0.000 0.812 65 A HN 0.417 nan 8.150 nan 0.000 0.450 66 V N 0.223 120.174 119.914 0.063 0.000 2.487 66 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 66 V C -1.385 174.728 176.094 0.032 0.000 1.028 66 V CA -0.572 61.750 62.300 0.037 0.000 0.860 66 V CB 1.305 33.018 31.823 -0.184 0.000 0.991 66 V HN 0.280 nan 8.190 nan 0.000 0.427 67 F N 2.916 122.739 119.950 -0.211 0.000 2.361 67 F HA 0.695 5.223 4.527 0.002 0.000 0.364 67 F C 0.895 176.269 175.800 -0.710 0.000 1.117 67 F CA -0.897 56.851 58.000 -0.420 0.000 1.071 67 F CB 1.620 40.497 39.000 -0.206 0.000 1.188 67 F HN 0.538 nan 8.300 nan 0.000 0.464 68 G N 2.438 110.788 108.800 -0.749 0.000 2.367 68 G HA2 0.490 4.450 3.960 -0.000 0.000 0.314 68 G HA3 0.490 4.450 3.960 -0.000 0.000 0.314 68 G C -1.479 172.798 174.900 -1.039 0.000 1.130 68 G CA -0.385 44.300 45.100 -0.692 0.000 0.864 68 G HN 0.644 nan 8.290 nan 0.000 0.486 69 W N -0.584 120.609 121.300 -0.178 0.000 3.205 69 W HA 0.646 5.306 4.660 -0.000 0.000 0.336 69 W C -0.557 175.886 176.519 -0.126 0.000 1.171 69 W CA -0.735 56.446 57.345 -0.272 0.000 1.035 69 W CB 2.004 31.500 29.460 0.060 0.000 1.500 69 W HN 0.382 nan 8.180 nan 0.000 0.602 70 D N -0.694 119.829 120.400 0.205 0.000 2.837 70 D HA 0.075 4.714 4.640 -0.000 0.000 0.220 70 D C 0.745 177.265 176.300 0.367 0.000 1.236 70 D CA -0.185 53.983 54.000 0.280 0.000 0.838 70 D CB 2.335 43.275 40.800 0.232 0.000 1.647 70 D HN 0.487 nan 8.370 nan 0.000 0.486 71 T N 0.560 115.368 114.554 0.424 0.000 3.052 71 T HA -0.074 4.276 4.350 -0.000 0.000 0.270 71 T C 2.054 176.960 174.700 0.342 0.000 1.147 71 T CA 0.504 62.864 62.100 0.434 0.000 1.089 71 T CB -0.173 68.950 68.868 0.425 0.000 0.875 71 T HN 0.405 nan 8.240 nan 0.000 0.541 72 L N -0.236 121.169 121.223 0.303 0.000 2.265 72 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 72 L C 2.486 179.470 176.870 0.190 0.000 1.117 72 L CA 0.849 55.847 54.840 0.264 0.000 0.782 72 L CB -0.487 41.717 42.059 0.242 0.000 0.914 72 L HN 0.337 nan 8.230 nan 0.000 0.441 73 I N -0.196 120.453 120.570 0.130 0.000 2.179 73 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 73 I C 2.370 178.526 176.117 0.065 0.000 1.088 73 I CA 1.498 62.789 61.300 -0.015 0.000 1.357 73 I CB -0.213 37.510 38.000 -0.462 0.000 1.051 73 I HN 0.157 nan 8.210 nan 0.000 0.409 74 I N 0.695 121.372 120.570 0.179 0.000 2.163 74 I HA -0.304 3.865 4.170 -0.000 0.000 0.243 74 I C 2.266 178.430 176.117 0.079 0.000 1.085 74 I CA 1.636 63.015 61.300 0.131 0.000 1.347 74 I CB -0.524 37.521 38.000 0.075 0.000 1.044 74 I HN 0.262 nan 8.210 nan 0.000 0.408 75 E N 0.574 120.844 120.200 0.117 0.000 2.401 75 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 75 E C 1.435 178.103 176.600 0.113 0.000 1.023 75 E CA 0.647 57.132 56.400 0.142 0.000 0.859 75 E CB -0.122 29.715 29.700 0.229 0.000 0.780 75 E HN 0.678 nan 8.360 nan 0.000 0.523 76 G N 1.286 110.140 108.800 0.090 0.000 2.137 76 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 76 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 76 G C 0.588 175.533 174.900 0.076 0.000 1.002 76 G CA 0.387 45.524 45.100 0.062 0.000 0.702 76 G HN 0.204 nan 8.290 nan 0.000 0.515 77 N N 0.291 119.056 118.700 0.109 0.000 2.356 77 N HA 0.114 4.853 4.740 -0.000 0.000 0.178 77 N C 0.478 176.059 175.510 0.120 0.000 1.075 77 N CA 0.746 53.866 53.050 0.117 0.000 0.889 77 N CB 0.488 39.070 38.487 0.158 0.000 0.999 77 N HN 0.727 nan 8.380 nan 0.000 0.464 78 E N 0.478 120.756 120.200 0.130 0.000 2.292 78 E HA 0.336 4.686 4.350 -0.000 0.000 0.272 78 E C -0.749 175.909 176.600 0.096 0.000 0.881 78 E CA -0.735 55.777 56.400 0.187 0.000 0.754 78 E CB 2.325 32.154 29.700 0.214 0.000 1.201 78 E HN -0.101 nan 8.360 nan 0.000 0.425 79 R N 2.370 122.876 120.500 0.010 0.000 2.734 79 R HA 0.029 4.369 4.340 -0.000 0.000 0.266 79 R C -1.414 174.762 176.300 -0.207 0.000 1.044 79 R CA -0.655 55.312 56.100 -0.221 0.000 1.128 79 R CB 0.269 30.273 30.300 -0.492 0.000 1.010 79 R HN 0.333 nan 8.270 nan 0.000 0.461 80 P HA -0.015 nan 4.420 nan 0.000 0.242 80 P C 0.092 177.236 177.300 -0.260 0.000 1.197 80 P CA 0.363 63.203 63.100 -0.434 0.000 0.765 80 P CB 0.210 31.377 31.700 -0.889 0.000 0.936 81 G N 0.716 109.401 108.800 -0.190 0.000 2.491 81 G HA2 0.390 4.350 3.960 -0.000 0.000 0.242 81 G HA3 0.390 4.350 3.960 -0.000 0.000 0.242 81 G C -0.588 174.282 174.900 -0.050 0.000 1.266 81 G CA -0.253 44.791 45.100 -0.092 0.000 0.844 81 G HN 0.140 nan 8.290 nan 0.000 0.571 82 L N 1.347 122.554 121.223 -0.026 0.000 2.381 82 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 82 L C 1.417 178.295 176.870 0.014 0.000 0.997 82 L CA -1.067 53.768 54.840 -0.008 0.000 0.818 82 L CB 2.105 44.154 42.059 -0.016 0.000 1.310 82 L HN 0.647 nan 8.230 nan 0.000 0.416 83 A N 1.516 124.350 122.820 0.024 0.000 1.908 83 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 83 A C 1.802 179.404 177.584 0.029 0.000 1.181 83 A CA 1.743 53.800 52.037 0.034 0.000 0.627 83 A CB -0.291 18.730 19.000 0.036 0.000 0.818 83 A HN 0.880 nan 8.150 nan 0.000 0.445 84 E N 0.903 121.115 120.200 0.020 0.000 2.150 84 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 84 E C 0.457 177.067 176.600 0.016 0.000 0.985 84 E CA 0.482 56.892 56.400 0.017 0.000 0.814 84 E CB -0.324 29.383 29.700 0.012 0.000 0.752 84 E HN 0.595 nan 8.360 nan 0.000 0.466 85 N N 0.792 119.500 118.700 0.012 0.000 2.371 85 N HA 0.040 4.780 4.740 -0.000 0.000 0.243 85 N C -0.057 175.462 175.510 0.016 0.000 1.287 85 N CA 0.343 53.399 53.050 0.009 0.000 0.911 85 N CB 0.336 38.824 38.487 0.001 0.000 1.142 85 N HN 0.123 nan 8.380 nan 0.000 0.451 86 T N -2.380 112.182 114.554 0.012 0.000 2.899 86 T HA 0.310 4.660 4.350 -0.000 0.000 0.284 86 T C 1.164 175.873 174.700 0.015 0.000 1.004 86 T CA -0.649 61.461 62.100 0.016 0.000 1.043 86 T CB 1.050 69.924 68.868 0.011 0.000 1.013 86 T HN 0.321 nan 8.240 nan 0.000 0.518 87 R N 0.608 121.119 120.500 0.019 0.000 2.152 87 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 87 R C 1.326 177.627 176.300 0.001 0.000 1.117 87 R CA 1.489 57.597 56.100 0.013 0.000 0.981 87 R CB -0.395 29.910 30.300 0.008 0.000 0.870 87 R HN 0.685 nan 8.270 nan 0.000 0.451 88 D N 0.706 121.104 120.400 -0.004 0.000 2.117 88 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 88 D C 1.872 178.164 176.300 -0.013 0.000 0.982 88 D CA 1.257 55.248 54.000 -0.014 0.000 0.828 88 D CB -0.044 40.747 40.800 -0.014 0.000 0.967 88 D HN 0.450 nan 8.370 nan 0.000 0.464 89 E N 0.242 120.437 120.200 -0.007 0.000 2.152 89 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 89 E C 1.431 178.024 176.600 -0.012 0.000 0.983 89 E CA 0.551 56.945 56.400 -0.010 0.000 0.818 89 E CB -0.204 29.491 29.700 -0.008 0.000 0.758 89 E HN 0.166 nan 8.360 nan 0.000 0.467 90 N N 1.489 120.187 118.700 -0.003 0.000 2.142 90 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 90 N C 2.003 177.535 175.510 0.036 0.000 1.023 90 N CA 0.848 53.897 53.050 -0.001 0.000 0.852 90 N CB -0.171 38.326 38.487 0.017 0.000 0.998 90 N HN 0.234 nan 8.380 nan 0.000 0.424 91 I N 1.124 121.716 120.570 0.037 0.000 2.208 91 I HA -0.260 3.909 4.170 -0.000 0.000 0.245 91 I C 2.262 178.384 176.117 0.009 0.000 1.097 91 I CA 1.036 62.355 61.300 0.032 0.000 1.363 91 I CB -0.299 37.680 38.000 -0.035 0.000 1.051 91 I HN 0.066 nan 8.210 nan 0.000 0.413 92 A N 0.860 123.672 122.820 -0.012 0.000 1.902 92 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 92 A C 2.285 179.862 177.584 -0.012 0.000 1.181 92 A CA 1.426 53.451 52.037 -0.021 0.000 0.623 92 A CB -0.771 18.216 19.000 -0.021 0.000 0.818 92 A HN 0.395 nan 8.150 nan 0.000 0.443 93 L N -2.210 118.997 121.223 -0.026 0.000 2.093 93 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 93 L C 2.465 179.259 176.870 -0.126 0.000 1.085 93 L CA 1.027 55.817 54.840 -0.083 0.000 0.755 93 L CB -0.524 41.438 42.059 -0.161 0.000 0.904 93 L HN 0.414 nan 8.230 nan 0.000 0.435 94 F N 1.253 121.040 119.950 -0.272 0.000 2.069 94 F HA -0.239 4.289 4.527 0.001 0.000 0.298 94 F C 2.519 178.130 175.800 -0.315 0.000 1.113 94 F CA 1.200 58.993 58.000 -0.344 0.000 1.214 94 F CB -0.716 38.142 39.000 -0.237 0.000 0.978 94 F HN 0.013 nan 8.300 nan 0.000 0.474 95 A N -0.389 122.447 122.820 0.027 0.000 1.940 95 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 95 A C 1.971 179.536 177.584 -0.032 0.000 1.176 95 A CA 2.070 54.061 52.037 -0.076 0.000 0.631 95 A CB -1.255 17.684 19.000 -0.100 0.000 0.814 95 A HN 0.485 nan 8.150 nan 0.000 0.446 96 D N -1.850 118.565 120.400 0.025 0.000 2.117 96 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 96 D C 1.566 177.942 176.300 0.126 0.000 0.987 96 D CA 1.406 55.452 54.000 0.076 0.000 0.829 96 D CB -0.243 40.638 40.800 0.135 0.000 0.961 96 D HN 0.482 nan 8.370 nan 0.000 0.460 97 Y N 0.226 120.415 120.300 -0.186 0.000 2.314 97 Y HA 0.093 4.642 4.550 -0.002 0.000 0.293 97 Y C 2.232 177.987 175.900 -0.242 0.000 1.129 97 Y CA 0.328 58.279 58.100 -0.249 0.000 1.201 97 Y CB -0.327 37.809 38.460 -0.540 0.000 0.999 97 Y HN 0.109 nan 8.280 nan 0.000 0.541 98 I N -0.661 119.824 120.570 -0.142 0.000 2.286 98 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 98 I C 2.325 178.402 176.117 -0.066 0.000 1.104 98 I CA 1.135 62.384 61.300 -0.085 0.000 1.397 98 I CB -0.277 37.651 38.000 -0.121 0.000 1.072 98 I HN 0.065 nan 8.210 nan 0.000 0.417 99 R N 0.940 121.394 120.500 -0.077 0.000 2.083 99 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 99 R C 2.287 178.525 176.300 -0.102 0.000 1.137 99 R CA 1.499 57.547 56.100 -0.087 0.000 0.951 99 R CB -0.234 30.024 30.300 -0.070 0.000 0.851 99 R HN 0.307 nan 8.270 nan 0.000 0.434 100 K N 0.003 120.345 120.400 -0.097 0.000 2.097 100 K HA -0.070 4.249 4.320 -0.000 0.000 0.206 100 K C 2.147 178.630 176.600 -0.195 0.000 1.049 100 K CA 1.280 57.489 56.287 -0.130 0.000 0.933 100 K CB -0.098 32.313 32.500 -0.149 0.000 0.717 100 K HN 0.167 nan 8.250 nan 0.000 0.442 101 A N 1.679 124.373 122.820 -0.211 0.000 1.873 101 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 101 A C 1.885 179.151 177.584 -0.529 0.000 1.186 101 A CA 2.045 53.719 52.037 -0.605 0.000 0.616 101 A CB -0.620 18.031 19.000 -0.582 0.000 0.823 101 A HN 0.371 nan 8.150 nan 0.000 0.442 102 D N -0.179 120.059 120.400 -0.271 0.000 2.149 102 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 102 D C 1.943 178.159 176.300 -0.140 0.000 0.990 102 D CA 1.711 55.615 54.000 -0.160 0.000 0.839 102 D CB -0.174 40.552 40.800 -0.123 0.000 0.948 102 D HN 0.339 nan 8.370 nan 0.000 0.460 103 A N 0.168 122.895 122.820 -0.155 0.000 1.898 103 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 103 A C 2.431 179.926 177.584 -0.148 0.000 1.181 103 A CA 1.180 53.142 52.037 -0.124 0.000 0.620 103 A CB -0.808 18.124 19.000 -0.114 0.000 0.819 103 A HN 0.395 nan 8.150 nan 0.000 0.442 104 I N -1.108 119.318 120.570 -0.240 0.000 2.454 104 I HA -0.097 4.073 4.170 -0.000 0.000 0.254 104 I C 1.674 177.690 176.117 -0.168 0.000 1.156 104 I CA 1.200 62.325 61.300 -0.291 0.000 1.433 104 I CB -0.237 37.435 38.000 -0.547 0.000 1.082 104 I HN 0.544 nan 8.210 nan 0.000 0.432 105 G N 0.639 109.347 108.800 -0.154 0.000 2.151 105 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.156 105 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.156 105 G C 0.195 175.079 174.900 -0.027 0.000 1.017 105 G CA -0.344 44.723 45.100 -0.056 0.000 0.686 105 G HN 0.593 nan 8.290 nan 0.000 0.503 106 G N -1.314 107.401 108.800 -0.141 0.000 2.552 106 G HA2 0.762 4.722 3.960 -0.000 0.000 0.324 106 G HA3 0.762 4.722 3.960 -0.000 0.000 0.324 106 G C -0.425 174.469 174.900 -0.011 0.000 1.217 106 G CA -0.405 44.681 45.100 -0.023 0.000 0.989 106 G HN 0.879 nan 8.290 nan 0.000 0.490 107 V N 1.305 121.278 119.914 0.098 0.000 2.472 107 V HA 0.321 4.441 4.120 -0.000 0.000 0.290 107 V C -0.293 175.873 176.094 0.120 0.000 1.037 107 V CA -1.064 61.306 62.300 0.118 0.000 0.908 107 V CB 1.442 33.293 31.823 0.047 0.000 0.985 107 V HN 0.623 nan 8.190 nan 0.000 0.454 108 N N 2.050 120.839 118.700 0.148 0.000 2.473 108 N HA 0.456 5.196 4.740 -0.000 0.000 0.291 108 N C -0.494 175.098 175.510 0.137 0.000 1.083 108 N CA -0.135 53.047 53.050 0.220 0.000 0.951 108 N CB 2.109 40.785 38.487 0.313 0.000 1.164 108 N HN 0.680 nan 8.380 nan 0.000 0.480 109 T N 0.464 115.095 114.554 0.129 0.000 2.912 109 T HA 0.470 4.819 4.350 -0.000 0.000 0.299 109 T C -1.349 173.444 174.700 0.155 0.000 1.052 109 T CA -0.503 61.638 62.100 0.068 0.000 0.996 109 T CB 0.984 69.838 68.868 -0.023 0.000 1.070 109 T HN 0.063 nan 8.240 nan 0.000 0.465 110 V N 4.841 124.842 119.914 0.144 0.000 2.483 110 V HA 0.603 4.722 4.120 -0.000 0.000 0.297 110 V C 0.364 176.519 176.094 0.102 0.000 1.027 110 V CA -0.785 61.657 62.300 0.238 0.000 0.855 110 V CB 1.673 33.682 31.823 0.309 0.000 0.995 110 V HN 1.084 nan 8.190 nan 0.000 0.424 111 S N 3.433 119.178 115.700 0.076 0.000 2.738 111 S HA 0.929 5.399 4.470 -0.000 0.000 0.284 111 S C -0.091 174.485 174.600 -0.040 0.000 1.146 111 S CA -0.282 57.853 58.200 -0.108 0.000 0.997 111 S CB 2.099 65.250 63.200 -0.081 0.000 1.081 111 S HN 1.472 nan 8.310 nan 0.000 0.553 112 A N 0.934 123.604 122.820 -0.251 0.000 2.679 112 A HA 0.519 4.839 4.320 -0.000 0.000 0.288 112 A C -1.260 176.120 177.584 -0.340 0.000 1.160 112 A CA -0.664 51.267 52.037 -0.176 0.000 0.763 112 A CB -0.196 18.632 19.000 -0.287 0.000 1.270 112 A HN 0.837 nan 8.150 nan 0.000 0.417 113 H N 1.377 120.350 119.070 -0.163 0.000 2.855 113 H HA 0.311 4.867 4.556 0.001 0.000 0.238 113 H C 0.286 175.661 175.328 0.078 0.000 1.847 113 H CA 0.035 55.947 56.048 -0.227 0.000 1.368 113 H CB -0.148 29.099 29.762 -0.857 0.000 1.758 113 H HN 0.376 nan 8.280 nan 0.000 0.546 114 V N 2.751 122.690 119.914 0.042 0.000 2.617 114 V HA -0.087 4.032 4.120 -0.000 0.000 0.304 114 V C 0.992 177.329 176.094 0.405 0.000 1.040 114 V CA -0.271 62.071 62.300 0.070 0.000 1.149 114 V CB -0.053 31.692 31.823 -0.129 0.000 0.914 114 V HN 0.749 nan 8.190 nan 0.000 0.487 115 E N 4.110 124.394 120.200 0.140 0.000 2.436 115 E HA -0.030 4.319 4.350 -0.000 0.000 0.262 115 E C 0.140 176.669 176.600 -0.117 0.000 1.063 115 E CA -0.574 55.884 56.400 0.096 0.000 0.944 115 E CB 0.369 30.069 29.700 -0.002 0.000 0.950 115 E HN 0.592 nan 8.360 nan 0.000 0.444 116 N N 2.496 121.150 118.700 -0.076 0.000 2.402 116 N HA -0.019 4.721 4.740 -0.000 0.000 0.259 116 N C -0.197 175.060 175.510 -0.421 0.000 1.167 116 N CA -0.102 52.656 53.050 -0.487 0.000 0.949 116 N CB -0.040 38.254 38.487 -0.322 0.000 1.212 116 N HN 0.462 nan 8.380 nan 0.000 0.493 117 F N 2.363 122.145 119.950 -0.281 0.000 2.202 117 F HA -0.184 4.344 4.527 0.001 0.000 0.301 117 F C 2.207 177.931 175.800 -0.127 0.000 1.082 117 F CA 0.721 58.655 58.000 -0.109 0.000 1.313 117 F CB -0.314 38.651 39.000 -0.059 0.000 1.024 117 F HN 0.327 nan 8.300 nan 0.000 0.495 118 V N -0.470 119.314 119.914 -0.218 0.000 2.346 118 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 118 V C 2.401 178.428 176.094 -0.111 0.000 1.037 118 V CA 2.230 64.335 62.300 -0.325 0.000 1.029 118 V CB -1.016 30.502 31.823 -0.509 0.000 0.663 118 V HN 0.519 nan 8.190 nan 0.000 0.454 119 T N -3.033 111.442 114.554 -0.132 0.000 3.065 119 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 119 T C 1.593 176.277 174.700 -0.028 0.000 1.099 119 T CA 1.019 63.077 62.100 -0.069 0.000 1.063 119 T CB 0.671 69.488 68.868 -0.085 0.000 0.948 119 T HN 0.949 nan 8.240 nan 0.000 0.506 120 G N 0.695 109.480 108.800 -0.024 0.000 2.179 120 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.260 120 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.260 120 G C 0.530 175.431 174.900 0.002 0.000 0.977 120 G CA 0.037 45.145 45.100 0.013 0.000 0.641 120 G HN 1.030 nan 8.290 nan 0.000 0.533 121 G N -0.038 108.747 108.800 -0.024 0.000 2.563 121 G HA2 0.683 4.643 3.960 -0.000 0.000 0.283 121 G HA3 0.683 4.643 3.960 -0.000 0.000 0.283 121 G C 0.799 175.703 174.900 0.008 0.000 1.309 121 G CA 0.924 46.017 45.100 -0.012 0.000 1.022 121 G HN 1.541 nan 8.290 nan 0.000 0.501 122 S N -1.390 114.304 115.700 -0.010 0.000 2.652 122 S HA 0.319 4.788 4.470 -0.000 0.000 0.267 122 S C 1.293 175.931 174.600 0.064 0.000 1.201 122 S CA 0.224 58.393 58.200 -0.052 0.000 0.996 122 S CB 0.410 63.410 63.200 -0.332 0.000 1.054 122 S HN 0.790 nan 8.310 nan 0.000 0.561 123 F N -1.472 118.625 119.950 0.246 0.000 2.365 123 F HA 0.127 4.653 4.527 -0.002 0.000 0.300 123 F C 1.681 177.635 175.800 0.256 0.000 1.090 123 F CA 0.275 58.433 58.000 0.264 0.000 1.408 123 F CB -1.030 38.012 39.000 0.071 0.000 1.060 123 F HN 0.434 nan 8.300 nan 0.000 0.534 124 Y N 0.681 120.892 120.300 -0.150 0.000 2.519 124 Y HA 0.042 4.591 4.550 -0.001 0.000 0.287 124 Y C 0.756 176.676 175.900 0.033 0.000 1.128 124 Y CA -0.182 57.931 58.100 0.022 0.000 1.282 124 Y CB -0.713 37.662 38.460 -0.141 0.000 1.027 124 Y HN 0.031 nan 8.280 nan 0.000 0.551 125 D N 0.367 120.871 120.400 0.174 0.000 2.342 125 D HA -0.012 4.628 4.640 -0.000 0.000 0.260 125 D C 1.025 177.372 176.300 0.078 0.000 1.278 125 D CA 0.384 54.435 54.000 0.085 0.000 0.910 125 D CB 0.805 41.621 40.800 0.026 0.000 1.079 125 D HN 0.294 nan 8.370 nan 0.000 0.496 126 T N -0.123 114.418 114.554 -0.021 0.000 3.086 126 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 126 T C 1.041 175.549 174.700 -0.320 0.000 1.074 126 T CA -0.189 61.762 62.100 -0.248 0.000 0.988 126 T CB -0.183 68.454 68.868 -0.385 0.000 0.988 126 T HN 0.272 nan 8.240 nan 0.000 0.530 127 S N 0.123 115.732 115.700 -0.153 0.000 2.655 127 S HA 0.582 5.052 4.470 -0.000 0.000 0.265 127 S C 1.570 176.081 174.600 -0.149 0.000 1.240 127 S CA 0.096 58.224 58.200 -0.120 0.000 0.986 127 S CB 0.538 63.698 63.200 -0.066 0.000 0.985 127 S HN 1.200 nan 8.310 nan 0.000 0.562 128 G N 0.103 108.834 108.800 -0.116 0.000 2.234 128 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 128 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 128 G C 0.215 175.031 174.900 -0.141 0.000 0.997 128 G CA 0.734 45.745 45.100 -0.148 0.000 0.623 128 G HN 1.536 nan 8.290 nan 0.000 0.514 129 D N -0.683 119.662 120.400 -0.091 0.000 2.772 129 D HA -0.159 4.481 4.640 -0.000 0.000 0.233 129 D C 1.405 177.672 176.300 -0.055 0.000 1.143 129 D CA 2.162 56.153 54.000 -0.016 0.000 0.700 129 D CB -1.309 39.494 40.800 0.004 0.000 1.076 129 D HN 0.594 nan 8.370 nan 0.000 0.430 130 T N -0.502 113.958 114.554 -0.156 0.000 2.803 130 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 130 T C 2.013 176.673 174.700 -0.067 0.000 1.052 130 T CA 1.058 62.965 62.100 -0.323 0.000 1.136 130 T CB -0.079 68.259 68.868 -0.883 0.000 0.864 130 T HN 0.452 nan 8.240 nan 0.000 0.467 131 L N 0.629 122.025 121.223 0.288 0.000 2.017 131 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 131 L C 2.747 179.728 176.870 0.184 0.000 1.073 131 L CA 1.509 56.607 54.840 0.430 0.000 0.745 131 L CB -0.157 42.184 42.059 0.469 0.000 0.894 131 L HN 0.158 nan 8.230 nan 0.000 0.432 132 R N -0.441 120.132 120.500 0.123 0.000 2.115 132 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 132 R C 2.199 178.512 176.300 0.023 0.000 1.100 132 R CA 1.009 57.142 56.100 0.056 0.000 0.980 132 R CB -0.372 29.958 30.300 0.050 0.000 0.875 132 R HN 0.418 nan 8.270 nan 0.000 0.445 133 A N 0.639 123.466 122.820 0.011 0.000 2.015 133 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 133 A C 2.117 179.732 177.584 0.052 0.000 1.163 133 A CA 0.930 52.977 52.037 0.015 0.000 0.646 133 A CB -0.051 18.894 19.000 -0.092 0.000 0.806 133 A HN 0.124 nan 8.150 nan 0.000 0.448 134 V N -0.026 119.917 119.914 0.049 0.000 3.506 134 V HA 0.138 4.258 4.120 -0.000 0.000 0.263 134 V C 0.994 177.139 176.094 0.085 0.000 1.203 134 V CA 0.133 62.481 62.300 0.079 0.000 1.133 134 V CB -0.408 31.510 31.823 0.158 0.000 0.802 134 V HN 0.453 nan 8.190 nan 0.000 0.459 135 L N 1.064 122.283 121.223 -0.006 0.000 2.473 135 L HA 0.186 4.526 4.340 -0.000 0.000 0.268 135 L C -2.031 174.618 176.870 -0.369 0.000 1.215 135 L CA -1.487 53.274 54.840 -0.132 0.000 0.823 135 L CB -0.190 41.797 42.059 -0.120 0.000 1.099 135 L HN 0.035 nan 8.230 nan 0.000 0.483 136 P HA -0.008 nan 4.420 nan 0.000 0.261 136 P C 0.558 177.443 177.300 -0.691 0.000 1.183 136 P CA 1.089 63.513 63.100 -1.127 0.000 0.761 136 P CB 0.559 31.700 31.700 -0.933 0.000 0.785 137 G N 2.098 110.537 108.800 -0.602 0.000 2.195 137 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.246 137 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.246 137 G C 0.605 175.405 174.900 -0.167 0.000 0.984 137 G CA -0.221 44.700 45.100 -0.297 0.000 0.633 137 G HN 0.873 nan 8.290 nan 0.000 0.525 138 G N 0.173 108.882 108.800 -0.152 0.000 2.507 138 G HA2 0.578 4.538 3.960 -0.000 0.000 0.271 138 G HA3 0.578 4.538 3.960 -0.000 0.000 0.271 138 G C 1.299 176.219 174.900 0.033 0.000 1.189 138 G CA 0.873 45.952 45.100 -0.035 0.000 0.859 138 G HN 1.301 nan 8.290 nan 0.000 0.542 139 S N 0.289 116.032 115.700 0.072 0.000 2.387 139 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 139 S C 1.433 176.045 174.600 0.020 0.000 1.035 139 S CA 1.801 60.047 58.200 0.077 0.000 1.014 139 S CB -0.342 62.955 63.200 0.162 0.000 0.836 139 S HN 0.627 nan 8.310 nan 0.000 0.466 140 H N -0.827 118.227 119.070 -0.026 0.000 2.505 140 H HA 0.357 4.913 4.556 -0.000 0.000 0.286 140 H C 1.236 176.496 175.328 -0.114 0.000 1.072 140 H CA 0.023 56.032 56.048 -0.064 0.000 1.141 140 H CB -0.293 29.432 29.762 -0.061 0.000 1.550 140 H HN 0.600 nan 8.280 nan 0.000 0.547 141 H N 1.123 120.151 119.070 -0.070 0.000 2.352 141 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 141 H C 2.172 177.409 175.328 -0.152 0.000 1.097 141 H CA 1.743 57.708 56.048 -0.139 0.000 1.311 141 H CB 0.048 29.721 29.762 -0.147 0.000 1.377 141 H HN 0.385 nan 8.280 nan 0.000 0.504 142 A N 0.913 123.625 122.820 -0.179 0.000 2.024 142 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 142 A C 2.211 179.653 177.584 -0.236 0.000 1.164 142 A CA 1.722 53.636 52.037 -0.205 0.000 0.643 142 A CB -0.281 18.663 19.000 -0.093 0.000 0.806 142 A HN 0.604 nan 8.150 nan 0.000 0.451 143 E N -0.548 119.481 120.200 -0.285 0.000 2.072 143 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 143 E C 1.979 178.204 176.600 -0.626 0.000 0.985 143 E CA 1.193 57.355 56.400 -0.397 0.000 0.801 143 E CB -0.459 28.943 29.700 -0.495 0.000 0.750 143 E HN 0.567 nan 8.360 nan 0.000 0.452 144 L N 1.089 121.898 121.223 -0.689 0.000 2.056 144 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 144 L C 2.301 179.104 176.870 -0.112 0.000 1.078 144 L CA 1.199 55.810 54.840 -0.382 0.000 0.749 144 L CB -0.453 41.520 42.059 -0.143 0.000 0.901 144 L HN -0.137 nan 8.230 nan 0.000 0.433 145 V N 0.362 120.099 119.914 -0.295 0.000 2.332 145 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 145 V C 2.832 178.868 176.094 -0.095 0.000 1.055 145 V CA 1.740 63.840 62.300 -0.333 0.000 1.038 145 V CB -1.471 30.111 31.823 -0.401 0.000 0.651 145 V HN 0.624 nan 8.190 nan 0.000 0.450 146 A N -1.344 121.456 122.820 -0.033 0.000 1.930 146 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 146 A C 2.144 179.817 177.584 0.150 0.000 1.175 146 A CA 1.894 53.967 52.037 0.061 0.000 0.627 146 A CB -0.715 18.317 19.000 0.053 0.000 0.815 146 A HN 0.619 nan 8.150 nan 0.000 0.443 147 Y N 0.417 120.774 120.300 0.095 0.000 2.242 147 Y HA -0.086 4.464 4.550 -0.001 0.000 0.291 147 Y C 1.957 177.965 175.900 0.180 0.000 1.137 147 Y CA 1.668 59.898 58.100 0.217 0.000 1.181 147 Y CB -0.119 38.595 38.460 0.423 0.000 0.989 147 Y HN 0.213 nan 8.280 nan 0.000 0.527 148 L N -0.528 120.910 121.223 0.358 0.000 2.201 148 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 148 L C 1.848 178.839 176.870 0.203 0.000 1.105 148 L CA 1.058 56.073 54.840 0.291 0.000 0.775 148 L CB -0.507 41.716 42.059 0.272 0.000 0.913 148 L HN 0.186 nan 8.230 nan 0.000 0.440 149 D N 0.242 120.752 120.400 0.185 0.000 2.117 149 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 149 D C 1.723 178.030 176.300 0.011 0.000 0.982 149 D CA 1.154 55.226 54.000 0.120 0.000 0.828 149 D CB -0.057 40.809 40.800 0.111 0.000 0.967 149 D HN 0.246 nan 8.370 nan 0.000 0.464 150 D N 0.306 120.696 120.400 -0.017 0.000 2.144 150 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 150 D C 2.244 178.474 176.300 -0.117 0.000 0.984 150 D CA 0.339 54.289 54.000 -0.083 0.000 0.834 150 D CB -0.152 40.567 40.800 -0.135 0.000 0.955 150 D HN 0.293 nan 8.370 nan 0.000 0.465 151 I N 0.790 121.300 120.570 -0.099 0.000 2.315 151 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 151 I C 2.389 178.398 176.117 -0.181 0.000 1.117 151 I CA 0.750 61.973 61.300 -0.127 0.000 1.404 151 I CB -0.150 37.802 38.000 -0.080 0.000 1.071 151 I HN -0.076 nan 8.210 nan 0.000 0.419 152 A N 0.384 123.110 122.820 -0.156 0.000 1.930 152 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 152 A C 2.242 179.689 177.584 -0.228 0.000 1.175 152 A CA 1.339 53.235 52.037 -0.235 0.000 0.627 152 A CB -0.357 18.544 19.000 -0.164 0.000 0.815 152 A HN 0.299 nan 8.150 nan 0.000 0.443 153 E N -0.397 119.704 120.200 -0.164 0.000 2.051 153 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 153 E C 2.007 178.495 176.600 -0.188 0.000 0.991 153 E CA 1.335 57.644 56.400 -0.151 0.000 0.799 153 E CB -0.563 29.071 29.700 -0.110 0.000 0.748 153 E HN 0.530 nan 8.360 nan 0.000 0.449 154 L N 0.978 122.069 121.223 -0.220 0.000 2.042 154 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 154 L C 2.212 178.912 176.870 -0.283 0.000 1.076 154 L CA 2.216 56.880 54.840 -0.293 0.000 0.749 154 L CB -0.742 41.059 42.059 -0.429 0.000 0.893 154 L HN 0.048 nan 8.230 nan 0.000 0.432 155 A N -0.928 121.713 122.820 -0.298 0.000 1.902 155 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 155 A C 2.101 179.509 177.584 -0.293 0.000 1.181 155 A CA 1.990 53.809 52.037 -0.362 0.000 0.623 155 A CB -0.977 17.552 19.000 -0.785 0.000 0.818 155 A HN 0.590 nan 8.150 nan 0.000 0.443 156 D N -0.699 119.544 120.400 -0.262 0.000 2.183 156 D HA 0.110 4.750 4.640 -0.000 0.000 0.203 156 D C 1.840 178.041 176.300 -0.165 0.000 0.969 156 D CA 1.151 55.029 54.000 -0.203 0.000 0.842 156 D CB -0.122 40.571 40.800 -0.179 0.000 0.957 156 D HN 0.330 nan 8.370 nan 0.000 0.484 157 A N -0.569 122.152 122.820 -0.165 0.000 2.167 157 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 157 A C 1.316 178.817 177.584 -0.138 0.000 1.151 157 A CA 0.186 52.140 52.037 -0.137 0.000 0.735 157 A CB 0.017 18.939 19.000 -0.130 0.000 0.802 157 A HN 0.114 nan 8.150 nan 0.000 0.467 158 S N 1.196 116.799 115.700 -0.161 0.000 3.919 158 S HA 0.370 4.839 4.470 -0.000 0.000 0.245 158 S C 0.049 174.566 174.600 -0.138 0.000 1.344 158 S CA -0.096 58.015 58.200 -0.148 0.000 0.896 158 S CB -0.353 62.755 63.200 -0.153 0.000 1.557 158 S HN 0.482 nan 8.310 nan 0.000 0.468 159 R N 1.121 121.547 120.500 -0.123 0.000 2.750 159 R HA 0.459 4.799 4.340 -0.000 0.000 0.281 159 R C -0.119 176.117 176.300 -0.107 0.000 0.972 159 R CA -0.927 55.102 56.100 -0.119 0.000 0.912 159 R CB 1.815 32.051 30.300 -0.106 0.000 1.187 159 R HN 0.375 nan 8.270 nan 0.000 0.464 160 R N 0.516 120.949 120.500 -0.111 0.000 2.801 160 R HA 0.011 4.351 4.340 -0.000 0.000 0.273 160 R C 0.456 176.711 176.300 -0.075 0.000 1.080 160 R CA -0.407 55.636 56.100 -0.095 0.000 1.197 160 R CB 0.360 30.602 30.300 -0.097 0.000 1.109 160 R HN 0.599 nan 8.270 nan 0.000 0.535 161 D N 1.103 121.466 120.400 -0.063 0.000 2.218 161 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 161 D C 1.034 177.305 176.300 -0.049 0.000 0.976 161 D CA 1.374 55.343 54.000 -0.052 0.000 0.853 161 D CB -0.142 40.632 40.800 -0.043 0.000 0.939 161 D HN 0.574 nan 8.370 nan 0.000 0.481 162 D N -0.586 119.783 120.400 -0.051 0.000 2.363 162 D HA 0.014 4.654 4.640 -0.000 0.000 0.226 162 D C 1.522 177.791 176.300 -0.052 0.000 1.020 162 D CA 0.916 54.889 54.000 -0.046 0.000 0.892 162 D CB -0.063 40.711 40.800 -0.042 0.000 0.900 162 D HN 0.252 nan 8.370 nan 0.000 0.531 163 G N -0.364 108.399 108.800 -0.062 0.000 2.195 163 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 163 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 163 G C 0.427 175.279 174.900 -0.080 0.000 0.984 163 G CA 0.286 45.345 45.100 -0.068 0.000 0.633 163 G HN 0.459 nan 8.290 nan 0.000 0.525 164 T N 2.120 116.623 114.554 -0.085 0.000 2.888 164 T HA 0.451 4.801 4.350 -0.000 0.000 0.301 164 T C 0.957 175.579 174.700 -0.131 0.000 1.001 164 T CA -0.056 61.983 62.100 -0.102 0.000 1.147 164 T CB 1.089 69.894 68.868 -0.105 0.000 0.931 164 T HN 0.353 nan 8.240 nan 0.000 0.541 165 L N 3.886 125.028 121.223 -0.135 0.000 2.455 165 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 165 L C 0.517 177.266 176.870 -0.202 0.000 1.174 165 L CA -0.175 54.572 54.840 -0.154 0.000 0.869 165 L CB 0.218 42.191 42.059 -0.142 0.000 1.130 165 L HN 0.535 nan 8.230 nan 0.000 0.474 166 I N 5.506 125.954 120.570 -0.204 0.000 2.352 166 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 166 I C -1.985 174.004 176.117 -0.213 0.000 1.036 166 I CA -1.896 59.242 61.300 -0.270 0.000 1.336 166 I CB 0.954 38.830 38.000 -0.206 0.000 1.407 166 I HN 0.320 nan 8.210 nan 0.000 0.497 167 P HA 0.232 nan 4.420 nan 0.000 0.268 167 P C -0.775 176.537 177.300 0.020 0.000 1.205 167 P CA 0.256 63.297 63.100 -0.099 0.000 0.771 167 P CB 0.567 32.214 31.700 -0.089 0.000 0.858 168 I N 1.582 122.213 120.570 0.102 0.000 2.607 168 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 168 I C -0.709 175.383 176.117 -0.042 0.000 1.129 168 I CA -1.173 60.163 61.300 0.060 0.000 1.042 168 I CB 2.444 40.484 38.000 0.068 0.000 1.242 168 I HN -0.083 nan 8.210 nan 0.000 0.421 169 V N 5.935 125.832 119.914 -0.028 0.000 2.372 169 V HA 0.179 4.299 4.120 -0.000 0.000 0.261 169 V C -0.381 175.653 176.094 -0.101 0.000 1.055 169 V CA -0.231 62.049 62.300 -0.033 0.000 0.930 169 V CB 0.555 32.406 31.823 0.046 0.000 1.031 169 V HN 0.391 nan 8.190 nan 0.000 0.479 170 F N 6.330 125.982 119.950 -0.496 0.000 2.405 170 F HA 0.536 5.063 4.527 -0.001 0.000 0.355 170 F C 0.479 176.164 175.800 -0.192 0.000 1.121 170 F CA -0.988 56.669 58.000 -0.573 0.000 1.112 170 F CB 0.784 39.074 39.000 -1.184 0.000 1.126 170 F HN 0.409 nan 8.300 nan 0.000 0.481 171 R N 8.452 128.616 120.500 -0.560 0.000 2.477 171 R HA 0.387 4.727 4.340 -0.000 0.000 0.285 171 R C -2.914 173.025 176.300 -0.602 0.000 1.415 171 R CA -1.845 54.042 56.100 -0.354 0.000 1.446 171 R CB 0.571 30.819 30.300 -0.086 0.000 1.110 171 R HN 0.373 nan 8.270 nan 0.000 0.590 172 P HA 0.091 nan 4.420 nan 0.000 0.282 172 P C -0.879 176.134 177.300 -0.479 0.000 1.259 172 P CA -0.173 62.303 63.100 -1.039 0.000 0.826 172 P CB 0.444 31.316 31.700 -1.380 0.000 1.064 173 W N 0.079 121.114 121.300 -0.442 0.000 5.963 173 W HA -0.224 4.436 4.660 -0.000 0.000 0.400 173 W C 1.073 177.750 176.519 0.263 0.000 1.530 173 W CA -0.063 56.968 57.345 -0.524 0.000 1.004 173 W CB -2.839 26.544 29.460 -0.127 0.000 2.706 173 W HN 0.475 nan 8.180 nan 0.000 1.495 174 H N -0.295 118.935 119.070 0.268 0.000 2.597 174 H HA 0.305 4.860 4.556 -0.001 0.000 0.370 174 H C 0.991 176.661 175.328 0.570 0.000 1.281 174 H CA 0.066 56.322 56.048 0.347 0.000 1.422 174 H CB 0.381 30.259 29.762 0.193 0.000 1.524 174 H HN 0.431 nan 8.280 nan 0.000 0.607 175 E N -0.008 120.361 120.200 0.281 0.000 2.403 175 E HA -0.264 4.086 4.350 -0.000 0.000 0.241 175 E C 0.551 177.133 176.600 -0.030 0.000 1.201 175 E CA 0.701 57.208 56.400 0.178 0.000 0.721 175 E CB -0.926 28.978 29.700 0.341 0.000 1.245 175 E HN 0.816 nan 8.360 nan 0.000 0.392 176 N N -0.697 118.014 118.700 0.018 0.000 2.515 176 N HA -0.050 4.690 4.740 -0.000 0.000 0.185 176 N C 1.470 176.824 175.510 -0.260 0.000 1.109 176 N CA 0.965 53.953 53.050 -0.103 0.000 0.903 176 N CB 0.135 38.462 38.487 -0.266 0.000 0.969 176 N HN 0.294 nan 8.380 nan 0.000 0.450 177 A N 0.273 122.970 122.820 -0.205 0.000 2.119 177 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 177 A C 1.291 178.690 177.584 -0.309 0.000 1.152 177 A CA 0.701 52.649 52.037 -0.149 0.000 0.708 177 A CB -0.530 18.509 19.000 0.064 0.000 0.805 177 A HN 0.433 nan 8.150 nan 0.000 0.460 178 G N -2.238 106.185 108.800 -0.628 0.000 2.552 178 G HA2 0.456 4.415 3.960 -0.000 0.000 0.318 178 G HA3 0.456 4.415 3.960 -0.000 0.000 0.318 178 G C 0.048 174.315 174.900 -1.055 0.000 1.240 178 G CA 0.135 44.587 45.100 -1.080 0.000 1.002 178 G HN 0.094 nan 8.290 nan 0.000 0.493 179 S N -0.364 114.792 115.700 -0.907 0.000 2.741 179 S HA 0.103 4.573 4.470 -0.000 0.000 0.247 179 S C 0.655 175.138 174.600 -0.195 0.000 1.050 179 S CA -0.530 57.398 58.200 -0.454 0.000 1.025 179 S CB -0.153 62.862 63.200 -0.309 0.000 0.897 179 S HN 0.715 nan 8.310 nan 0.000 0.508 180 W N -0.329 120.858 121.300 -0.187 0.000 3.003 180 W HA 0.516 5.178 4.660 0.003 0.000 0.257 180 W C -0.372 176.060 176.519 -0.145 0.000 1.308 180 W CA -0.423 56.798 57.345 -0.206 0.000 1.529 180 W CB -0.401 28.845 29.460 -0.357 0.000 1.115 180 W HN 0.021 nan 8.180 nan 0.000 0.659 181 F N 1.437 121.184 119.950 -0.338 0.000 2.507 181 F HA 0.273 4.799 4.527 -0.001 0.000 0.327 181 F C 1.412 176.865 175.800 -0.578 0.000 1.068 181 F CA -2.748 54.816 58.000 -0.727 0.000 0.965 181 F CB 0.345 38.240 39.000 -1.841 0.000 1.192 181 F HN 0.048 nan 8.300 nan 0.000 0.476 182 W N 0.741 121.893 121.300 -0.247 0.000 2.611 182 W HA -0.088 4.572 4.660 -0.001 0.000 0.251 182 W C 0.426 177.035 176.519 0.151 0.000 1.265 182 W CA 0.256 57.497 57.345 -0.174 0.000 1.295 182 W CB -0.953 28.460 29.460 -0.077 0.000 1.129 182 W HN 0.789 nan 8.180 nan 0.000 0.630 183 W N 1.837 123.180 121.300 0.073 0.000 3.223 183 W HA 0.677 5.337 4.660 -0.001 0.000 0.389 183 W C 0.661 177.324 176.519 0.241 0.000 1.118 183 W CA -1.078 56.347 57.345 0.133 0.000 1.902 183 W CB -0.847 28.533 29.460 -0.133 0.000 1.094 183 W HN -0.165 nan 8.180 nan 0.000 0.666 184 G N 0.649 109.539 108.800 0.149 0.000 2.651 184 G HA2 0.322 4.282 3.960 -0.000 0.000 0.260 184 G HA3 0.322 4.282 3.960 -0.000 0.000 0.260 184 G C 1.019 175.858 174.900 -0.102 0.000 1.216 184 G CA -0.244 44.819 45.100 -0.062 0.000 0.913 184 G HN 0.336 nan 8.290 nan 0.000 0.535 185 A N -0.299 122.363 122.820 -0.264 0.000 2.076 185 A HA 0.178 4.497 4.320 -0.000 0.000 0.220 185 A C 2.428 179.810 177.584 -0.337 0.000 1.160 185 A CA 2.225 54.120 52.037 -0.238 0.000 0.653 185 A CB -0.388 18.482 19.000 -0.217 0.000 0.801 185 A HN 1.257 nan 8.150 nan 0.000 0.455 186 A N -2.032 120.375 122.820 -0.687 0.000 2.251 186 A HA 0.321 4.640 4.320 -0.000 0.000 0.209 186 A C 1.091 178.191 177.584 -0.806 0.000 1.187 186 A CA 0.447 52.009 52.037 -0.791 0.000 0.823 186 A CB -0.305 18.144 19.000 -0.918 0.000 0.846 186 A HN 0.551 nan 8.150 nan 0.000 0.486 187 Y N -0.848 119.473 120.300 0.035 0.000 2.612 187 Y HA 0.495 5.045 4.550 -0.001 0.000 0.250 187 Y C 0.946 176.904 175.900 0.097 0.000 1.175 187 Y CA -0.689 57.459 58.100 0.079 0.000 1.205 187 Y CB 0.312 38.852 38.460 0.134 0.000 1.201 187 Y HN 0.225 nan 8.280 nan 0.000 0.532 188 G N -0.109 108.757 108.800 0.110 0.000 2.503 188 G HA2 0.365 4.325 3.960 -0.000 0.000 0.305 188 G HA3 0.365 4.325 3.960 -0.000 0.000 0.305 188 G C -0.781 174.164 174.900 0.075 0.000 1.575 188 G CA -0.680 44.491 45.100 0.118 0.000 0.890 188 G HN 0.102 nan 8.290 nan 0.000 0.612 189 S N 2.166 117.901 115.700 0.057 0.000 2.580 189 S HA 0.366 4.836 4.470 -0.000 0.000 0.266 189 S C -1.233 173.415 174.600 0.080 0.000 1.354 189 S CA -0.349 57.876 58.200 0.043 0.000 1.008 189 S CB 1.538 64.753 63.200 0.026 0.000 0.898 189 S HN 0.250 nan 8.310 nan 0.000 0.555 190 P HA 0.004 nan 4.420 nan 0.000 0.216 190 P C 1.706 179.078 177.300 0.119 0.000 1.150 190 P CA 1.652 64.812 63.100 0.101 0.000 0.837 190 P CB -0.493 31.245 31.700 0.062 0.000 0.786 191 G N -0.107 108.731 108.800 0.064 0.000 2.402 191 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 191 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 191 G C 1.434 176.354 174.900 0.033 0.000 1.162 191 G CA 0.547 45.667 45.100 0.034 0.000 0.777 191 G HN 0.281 nan 8.290 nan 0.000 0.539 192 E N -0.687 119.544 120.200 0.052 0.000 2.110 192 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 192 E C 2.063 178.688 176.600 0.042 0.000 0.988 192 E CA 0.922 57.345 56.400 0.038 0.000 0.804 192 E CB -0.254 29.480 29.700 0.057 0.000 0.745 192 E HN 0.573 nan 8.360 nan 0.000 0.458 193 Y N 1.968 122.277 120.300 0.016 0.000 2.145 193 Y HA -0.256 4.293 4.550 -0.000 0.000 0.286 193 Y C 2.164 178.070 175.900 0.011 0.000 1.145 193 Y CA 1.837 59.956 58.100 0.032 0.000 1.148 193 Y CB -0.081 38.435 38.460 0.093 0.000 0.981 193 Y HN -0.022 nan 8.280 nan 0.000 0.507 194 Q N -0.223 119.566 119.800 -0.018 0.000 2.096 194 Q HA -0.203 4.136 4.340 -0.000 0.000 0.204 194 Q C 2.036 177.888 176.000 -0.247 0.000 0.982 194 Q CA 1.662 57.366 55.803 -0.165 0.000 0.850 194 Q CB -0.088 28.577 28.738 -0.121 0.000 0.901 194 Q HN 0.461 nan 8.270 nan 0.000 0.422 195 E N 0.508 120.618 120.200 -0.150 0.000 2.106 195 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 195 E C 1.959 178.527 176.600 -0.053 0.000 0.984 195 E CA 0.524 56.875 56.400 -0.082 0.000 0.806 195 E CB -0.227 29.463 29.700 -0.017 0.000 0.750 195 E HN 0.215 nan 8.360 nan 0.000 0.458 196 L N 0.150 121.273 121.223 -0.166 0.000 2.017 196 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 196 L C 2.322 179.085 176.870 -0.179 0.000 1.073 196 L CA 1.719 56.425 54.840 -0.224 0.000 0.745 196 L CB -0.905 40.832 42.059 -0.536 0.000 0.894 196 L HN 0.069 nan 8.230 nan 0.000 0.432 197 Y N 0.345 120.382 120.300 -0.439 0.000 2.145 197 Y HA -0.233 4.317 4.550 -0.001 0.000 0.286 197 Y C 2.738 178.546 175.900 -0.153 0.000 1.145 197 Y CA 1.940 59.925 58.100 -0.193 0.000 1.148 197 Y CB -0.142 38.138 38.460 -0.300 0.000 0.981 197 Y HN 0.155 nan 8.280 nan 0.000 0.507 198 R N -1.102 119.279 120.500 -0.199 0.000 2.091 198 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 198 R C 2.199 178.468 176.300 -0.051 0.000 1.136 198 R CA 1.842 57.627 56.100 -0.525 0.000 0.959 198 R CB -0.871 28.803 30.300 -1.043 0.000 0.856 198 R HN 0.430 nan 8.270 nan 0.000 0.437 199 F N 1.652 121.625 119.950 0.037 0.000 2.134 199 F HA -0.195 4.332 4.527 -0.001 0.000 0.299 199 F C 1.973 177.906 175.800 0.223 0.000 1.097 199 F CA 1.716 59.851 58.000 0.226 0.000 1.264 199 F CB -0.468 38.706 39.000 0.290 0.000 1.001 199 F HN -0.124 nan 8.300 nan 0.000 0.479 200 T N 0.250 114.829 114.554 0.042 0.000 2.746 200 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 200 T C 2.182 176.881 174.700 -0.002 0.000 1.039 200 T CA 1.685 63.818 62.100 0.056 0.000 1.142 200 T CB -0.700 68.362 68.868 0.324 0.000 0.866 200 T HN 0.160 nan 8.240 nan 0.000 0.444 201 V N 1.542 121.402 119.914 -0.091 0.000 2.270 201 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 201 V C 2.475 178.520 176.094 -0.083 0.000 1.043 201 V CA 1.734 63.912 62.300 -0.204 0.000 1.014 201 V CB -0.623 31.071 31.823 -0.215 0.000 0.645 201 V HN 0.540 nan 8.190 nan 0.000 0.447 202 E N -0.924 119.277 120.200 0.002 0.000 2.077 202 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 202 E C 2.117 178.645 176.600 -0.120 0.000 0.989 202 E CA 1.736 58.141 56.400 0.010 0.000 0.800 202 E CB -0.294 29.487 29.700 0.135 0.000 0.746 202 E HN 0.716 nan 8.360 nan 0.000 0.452 203 Y N 1.340 121.408 120.300 -0.387 0.000 2.145 203 Y HA -0.189 4.360 4.550 -0.001 0.000 0.286 203 Y C 1.933 177.699 175.900 -0.223 0.000 1.145 203 Y CA 1.429 59.270 58.100 -0.432 0.000 1.148 203 Y CB -0.117 37.848 38.460 -0.825 0.000 0.981 203 Y HN -0.061 nan 8.280 nan 0.000 0.507 204 L N -0.368 120.792 121.223 -0.105 0.000 2.056 204 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 204 L C 2.745 179.531 176.870 -0.140 0.000 1.078 204 L CA 1.705 56.486 54.840 -0.100 0.000 0.749 204 L CB -0.497 41.624 42.059 0.104 0.000 0.901 204 L HN 0.139 nan 8.230 nan 0.000 0.433 205 R N 0.044 120.509 120.500 -0.060 0.000 2.052 205 R HA -0.100 4.240 4.340 -0.000 0.000 0.224 205 R C 1.675 177.916 176.300 -0.099 0.000 1.149 205 R CA 1.487 57.561 56.100 -0.043 0.000 0.962 205 R CB 0.008 30.323 30.300 0.024 0.000 0.856 205 R HN 0.280 nan 8.270 nan 0.000 0.433 206 D N -0.153 120.181 120.400 -0.110 0.000 2.289 206 D HA -0.040 4.600 4.640 -0.000 0.000 0.207 206 D C 1.712 177.909 176.300 -0.173 0.000 0.966 206 D CA 0.756 54.691 54.000 -0.108 0.000 0.868 206 D CB 0.571 41.336 40.800 -0.059 0.000 0.943 206 D HN 0.150 nan 8.370 nan 0.000 0.514 207 V N 0.576 120.310 119.914 -0.301 0.000 3.048 207 V HA 0.019 4.138 4.120 -0.000 0.000 0.241 207 V C 1.939 177.789 176.094 -0.407 0.000 1.129 207 V CA 0.589 62.656 62.300 -0.389 0.000 1.128 207 V CB 0.243 31.692 31.823 -0.623 0.000 0.849 207 V HN -0.057 nan 8.190 nan 0.000 0.475 208 K N 0.507 120.633 120.400 -0.457 0.000 2.356 208 K HA 0.283 4.603 4.320 -0.000 0.000 0.195 208 K C 1.565 178.018 176.600 -0.244 0.000 1.037 208 K CA 0.841 56.917 56.287 -0.351 0.000 1.014 208 K CB 0.171 32.450 32.500 -0.369 0.000 0.815 208 K HN 0.522 nan 8.250 nan 0.000 0.507 209 G N 1.791 110.463 108.800 -0.214 0.000 2.147 209 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.244 209 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.244 209 G C 0.185 174.980 174.900 -0.176 0.000 1.005 209 G CA 0.261 45.263 45.100 -0.162 0.000 0.713 209 G HN 0.101 nan 8.290 nan 0.000 0.515 210 V N 1.127 120.906 119.914 -0.225 0.000 2.617 210 V HA 0.359 4.479 4.120 -0.000 0.000 0.304 210 V C 1.463 177.435 176.094 -0.203 0.000 1.040 210 V CA 1.468 63.578 62.300 -0.317 0.000 1.149 210 V CB 1.380 32.896 31.823 -0.512 0.000 0.914 210 V HN 1.096 nan 8.190 nan 0.000 0.487 211 S N 1.580 117.160 115.700 -0.200 0.000 2.780 211 S HA 0.093 4.563 4.470 -0.000 0.000 0.248 211 S C 0.594 175.156 174.600 -0.062 0.000 1.036 211 S CA -0.165 57.981 58.200 -0.090 0.000 1.061 211 S CB -0.045 63.111 63.200 -0.072 0.000 1.037 211 S HN 0.843 nan 8.310 nan 0.000 0.584 212 N N 0.843 119.473 118.700 -0.117 0.000 2.401 212 N HA 0.271 5.011 4.740 -0.000 0.000 0.264 212 N C -1.193 174.425 175.510 0.180 0.000 1.238 212 N CA -0.333 52.704 53.050 -0.022 0.000 0.889 212 N CB -0.107 38.328 38.487 -0.085 0.000 1.196 212 N HN 0.215 nan 8.380 nan 0.000 0.511 213 F N 0.928 120.811 119.950 -0.112 0.000 2.495 213 F HA 0.563 5.090 4.527 0.000 0.000 0.327 213 F C 0.105 175.774 175.800 -0.218 0.000 1.103 213 F CA -1.560 56.298 58.000 -0.236 0.000 0.949 213 F CB 1.677 40.403 39.000 -0.456 0.000 1.142 213 F HN -0.135 nan 8.300 nan 0.000 0.457 214 L N 4.142 125.330 121.223 -0.058 0.000 2.329 214 L HA 0.415 4.755 4.340 -0.000 0.000 0.279 214 L C -1.224 175.584 176.870 -0.103 0.000 1.014 214 L CA -0.983 53.883 54.840 0.044 0.000 0.814 214 L CB 1.695 43.832 42.059 0.130 0.000 1.257 214 L HN 0.449 nan 8.230 nan 0.000 0.424 215 Y N 1.767 122.237 120.300 0.284 0.000 2.326 215 Y HA 0.572 5.122 4.550 -0.000 0.000 0.337 215 Y C 0.480 176.594 175.900 0.356 0.000 1.023 215 Y CA -0.501 57.794 58.100 0.325 0.000 1.143 215 Y CB 1.630 40.327 38.460 0.396 0.000 1.183 215 Y HN 0.568 nan 8.280 nan 0.000 0.485 216 A N 3.619 126.698 122.820 0.431 0.000 2.337 216 A HA 0.671 4.991 4.320 -0.000 0.000 0.329 216 A C -1.912 175.998 177.584 0.543 0.000 1.146 216 A CA -0.635 51.655 52.037 0.422 0.000 0.800 216 A CB 0.675 19.853 19.000 0.297 0.000 1.220 216 A HN 0.871 nan 8.150 nan 0.000 0.472 217 W N 1.936 123.405 121.300 0.281 0.000 2.647 217 W HA 0.595 5.256 4.660 0.001 0.000 0.328 217 W C -0.280 176.363 176.519 0.206 0.000 1.018 217 W CA -0.409 57.060 57.345 0.206 0.000 1.245 217 W CB 1.620 31.072 29.460 -0.014 0.000 1.356 217 W HN 0.980 nan 8.180 nan 0.000 0.443 218 G N 7.137 115.692 108.800 -0.408 0.000 2.883 218 G HA2 0.295 4.254 3.960 -0.000 0.000 0.285 218 G HA3 0.295 4.254 3.960 -0.000 0.000 0.285 218 G C -1.920 172.708 174.900 -0.453 0.000 1.526 218 G CA -1.209 43.641 45.100 -0.416 0.000 1.062 218 G HN 0.341 nan 8.290 nan 0.000 0.550 219 P HA 0.066 nan 4.420 nan 0.000 0.226 219 P C 1.115 178.473 177.300 0.097 0.000 1.153 219 P CA 1.608 64.493 63.100 -0.358 0.000 0.777 219 P CB 0.883 32.303 31.700 -0.467 0.000 0.794 220 G N -1.574 107.385 108.800 0.264 0.000 2.292 220 G HA2 0.364 4.324 3.960 -0.000 0.000 0.194 220 G HA3 0.364 4.324 3.960 -0.000 0.000 0.194 220 G C -0.832 174.303 174.900 0.391 0.000 1.329 220 G CA -0.314 44.980 45.100 0.324 0.000 1.100 220 G HN 0.500 nan 8.290 nan 0.000 0.470 221 G N -2.334 106.500 108.800 0.057 0.000 2.721 221 G HA2 0.724 4.683 3.960 -0.000 0.000 0.296 221 G HA3 0.724 4.683 3.960 -0.000 0.000 0.296 221 G C 0.767 175.409 174.900 -0.430 0.000 1.383 221 G CA 1.007 46.096 45.100 -0.018 0.000 0.788 221 G HN 2.444 nan 8.290 nan 0.000 0.500 222 G N -1.404 107.300 108.800 -0.160 0.000 2.314 222 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.292 222 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.292 222 G C 0.401 175.134 174.900 -0.278 0.000 1.059 222 G CA 0.767 45.778 45.100 -0.148 0.000 0.982 222 G HN 0.699 nan 8.290 nan 0.000 0.505 223 F N 0.084 120.062 119.950 0.048 0.000 2.776 223 F HA 0.355 4.882 4.527 0.000 0.000 0.300 223 F C 2.184 177.992 175.800 0.012 0.000 1.116 223 F CA 0.554 58.582 58.000 0.047 0.000 1.375 223 F CB 0.332 39.370 39.000 0.065 0.000 1.109 223 F HN 0.734 nan 8.300 nan 0.000 0.585 224 G N 0.576 109.446 108.800 0.117 0.000 2.258 224 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.274 224 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.274 224 G C 1.322 176.248 174.900 0.044 0.000 1.021 224 G CA 0.361 45.494 45.100 0.056 0.000 0.798 224 G HN 1.156 nan 8.290 nan 0.000 0.507 225 G N -1.165 107.660 108.800 0.042 0.000 2.148 225 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.254 225 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.254 225 G C 0.269 175.173 174.900 0.007 0.000 0.981 225 G CA 0.687 45.778 45.100 -0.016 0.000 0.670 225 G HN 1.311 nan 8.290 nan 0.000 0.528 226 N N 0.535 119.281 118.700 0.077 0.000 2.415 226 N HA 0.244 4.984 4.740 -0.000 0.000 0.250 226 N C 1.641 177.199 175.510 0.081 0.000 1.127 226 N CA -0.251 52.850 53.050 0.086 0.000 0.945 226 N CB 0.234 38.800 38.487 0.132 0.000 1.196 226 N HN 0.454 nan 8.380 nan 0.000 0.499 227 R N 2.248 122.770 120.500 0.037 0.000 2.103 227 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 227 R C 0.497 176.845 176.300 0.079 0.000 1.142 227 R CA 1.564 57.691 56.100 0.045 0.000 0.960 227 R CB 0.228 30.537 30.300 0.015 0.000 0.858 227 R HN 0.599 nan 8.270 nan 0.000 0.439 228 D N -0.379 120.062 120.400 0.068 0.000 2.117 228 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 228 D C 1.917 178.271 176.300 0.090 0.000 0.987 228 D CA 1.237 55.278 54.000 0.068 0.000 0.829 228 D CB -0.071 40.764 40.800 0.057 0.000 0.961 228 D HN 0.120 nan 8.370 nan 0.000 0.460 229 V N 0.645 120.637 119.914 0.131 0.000 2.379 229 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 229 V C 2.238 178.424 176.094 0.153 0.000 1.044 229 V CA 1.052 63.464 62.300 0.186 0.000 1.036 229 V CB -0.707 31.294 31.823 0.296 0.000 0.664 229 V HN 0.109 nan 8.190 nan 0.000 0.453 230 Y N 0.951 121.157 120.300 -0.157 0.000 2.165 230 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 230 Y C 1.979 177.825 175.900 -0.090 0.000 1.155 230 Y CA 1.648 59.400 58.100 -0.580 0.000 1.164 230 Y CB -0.157 37.907 38.460 -0.660 0.000 0.978 230 Y HN 0.170 nan 8.280 nan 0.000 0.513 231 L N 0.288 121.492 121.223 -0.032 0.000 2.591 231 L HA 0.082 4.421 4.340 -0.000 0.000 0.228 231 L C 2.307 179.201 176.870 0.039 0.000 1.133 231 L CA 0.342 55.159 54.840 -0.038 0.000 0.880 231 L CB -0.383 41.640 42.059 -0.059 0.000 1.033 231 L HN 0.128 nan 8.230 nan 0.000 0.450 232 R N -0.017 120.519 120.500 0.059 0.000 2.159 232 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 232 R C 1.714 178.060 176.300 0.077 0.000 1.131 232 R CA 1.696 57.836 56.100 0.067 0.000 0.982 232 R CB -0.042 30.301 30.300 0.072 0.000 0.868 232 R HN 0.047 nan 8.270 nan 0.000 0.453 233 T N -0.398 114.229 114.554 0.121 0.000 3.054 233 T HA 0.040 4.390 4.350 -0.000 0.000 0.255 233 T C -0.842 173.919 174.700 0.101 0.000 1.035 233 T CA -0.449 61.747 62.100 0.160 0.000 0.941 233 T CB -0.121 68.807 68.868 0.099 0.000 1.026 233 T HN 0.244 nan 8.240 nan 0.000 0.533 234 Y N 3.368 123.467 120.300 -0.334 0.000 2.865 234 Y HA 0.080 4.629 4.550 -0.001 0.000 0.338 234 Y C -1.909 173.585 175.900 -0.677 0.000 1.269 234 Y CA -2.299 55.193 58.100 -1.013 0.000 1.585 234 Y CB 0.854 38.861 38.460 -0.755 0.000 1.224 234 Y HN 0.118 nan 8.280 nan 0.000 0.554 235 P HA 0.072 nan 4.420 nan 0.000 0.218 235 P C -0.300 176.546 177.300 -0.757 0.000 1.149 235 P CA 1.821 64.395 63.100 -0.876 0.000 0.817 235 P CB 0.129 31.294 31.700 -0.892 0.000 0.785 236 G N -1.014 106.932 108.800 -1.424 0.000 2.465 236 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.681 236 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.681 236 G C -0.218 174.411 174.900 -0.452 0.000 1.340 236 G CA -0.344 44.293 45.100 -0.771 0.000 0.884 236 G HN -0.142 nan 8.290 nan 0.000 0.650 237 D N 0.394 120.740 120.400 -0.089 0.000 2.190 237 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 237 D C 2.545 178.799 176.300 -0.076 0.000 0.992 237 D CA 1.923 55.955 54.000 0.054 0.000 0.854 237 D CB -0.155 40.696 40.800 0.085 0.000 0.936 237 D HN 0.922 nan 8.370 nan 0.000 0.462 238 A N -0.842 121.822 122.820 -0.260 0.000 2.235 238 A HA 0.033 4.353 4.320 -0.000 0.000 0.208 238 A C 1.104 178.224 177.584 -0.775 0.000 1.172 238 A CA 0.362 52.081 52.037 -0.531 0.000 0.786 238 A CB -0.366 18.192 19.000 -0.738 0.000 0.804 238 A HN 0.150 nan 8.150 nan 0.000 0.479 239 F N -1.820 118.086 119.950 -0.073 0.000 2.767 239 F HA 0.287 4.814 4.527 -0.001 0.000 0.323 239 F C 0.079 175.950 175.800 0.118 0.000 1.091 239 F CA -0.186 57.799 58.000 -0.026 0.000 1.192 239 F CB 0.787 39.756 39.000 -0.052 0.000 1.056 239 F HN -0.121 nan 8.300 nan 0.000 0.571 240 V N 0.726 120.777 119.914 0.228 0.000 2.588 240 V HA 0.302 4.422 4.120 -0.000 0.000 0.304 240 V C -0.227 176.062 176.094 0.325 0.000 1.042 240 V CA -0.651 61.852 62.300 0.338 0.000 0.877 240 V CB 2.117 34.118 31.823 0.296 0.000 0.996 240 V HN 0.007 nan 8.190 nan 0.000 0.425 241 D N 1.842 122.469 120.400 0.379 0.000 2.394 241 D HA 0.146 4.785 4.640 -0.000 0.000 0.226 241 D C 0.163 176.640 176.300 0.295 0.000 0.990 241 D CA 1.006 55.191 54.000 0.308 0.000 0.902 241 D CB 1.395 42.383 40.800 0.313 0.000 1.038 241 D HN 0.331 nan 8.370 nan 0.000 0.499 242 V N 2.275 122.395 119.914 0.342 0.000 2.487 242 V HA 0.320 4.440 4.120 -0.000 0.000 0.298 242 V C -0.155 176.153 176.094 0.357 0.000 1.028 242 V CA -0.674 61.813 62.300 0.313 0.000 0.860 242 V CB 2.393 34.408 31.823 0.320 0.000 0.991 242 V HN -0.029 nan 8.190 nan 0.000 0.427 243 L N 4.734 126.144 121.223 0.312 0.000 2.260 243 L HA 0.704 5.043 4.340 -0.000 0.000 0.289 243 L C 0.891 177.911 176.870 0.251 0.000 1.057 243 L CA 0.076 55.147 54.840 0.386 0.000 0.811 243 L CB 1.102 43.378 42.059 0.361 0.000 1.184 243 L HN 0.794 nan 8.230 nan 0.000 0.429 244 G N 3.893 112.827 108.800 0.223 0.000 2.705 244 G HA2 0.713 4.672 3.960 -0.000 0.000 0.299 244 G HA3 0.713 4.672 3.960 -0.000 0.000 0.299 244 G C -1.377 173.611 174.900 0.148 0.000 1.315 244 G CA -0.436 44.746 45.100 0.137 0.000 1.045 244 G HN 0.356 nan 8.290 nan 0.000 0.517 245 L N 0.541 121.873 121.223 0.181 0.000 2.588 245 L HA 0.418 4.757 4.340 -0.000 0.000 0.263 245 L C -1.991 175.103 176.870 0.372 0.000 0.935 245 L CA -0.581 54.400 54.840 0.234 0.000 0.891 245 L CB 2.105 44.192 42.059 0.046 0.000 1.318 245 L HN 0.446 nan 8.230 nan 0.000 0.409 246 D N 2.737 123.363 120.400 0.377 0.000 2.425 246 D HA 0.714 5.354 4.640 -0.000 0.000 0.240 246 D C -0.748 175.793 176.300 0.402 0.000 1.080 246 D CA 0.238 54.478 54.000 0.400 0.000 0.836 246 D CB 2.127 43.162 40.800 0.391 0.000 1.125 246 D HN 0.410 nan 8.370 nan 0.000 0.525 247 T N 1.942 116.748 114.554 0.421 0.000 3.071 247 T HA 0.376 4.725 4.350 -0.000 0.000 0.311 247 T C -1.190 173.641 174.700 0.218 0.000 1.042 247 T CA -0.531 61.816 62.100 0.411 0.000 1.028 247 T CB 0.588 69.772 68.868 0.527 0.000 1.068 247 T HN 0.084 nan 8.240 nan 0.000 0.451 248 Y N 1.357 121.791 120.300 0.222 0.000 2.524 248 Y HA 0.712 5.261 4.550 -0.001 0.000 0.344 248 Y C 0.071 175.942 175.900 -0.048 0.000 1.012 248 Y CA -0.901 57.254 58.100 0.092 0.000 1.068 248 Y CB 2.068 40.502 38.460 -0.044 0.000 1.249 248 Y HN 0.736 nan 8.280 nan 0.000 0.468 249 D N -1.174 119.181 120.400 -0.076 0.000 2.654 249 D HA 0.420 5.059 4.640 -0.000 0.000 0.231 249 D C -0.747 175.316 176.300 -0.395 0.000 1.239 249 D CA -0.475 53.301 54.000 -0.375 0.000 0.790 249 D CB 1.519 41.575 40.800 -1.239 0.000 1.480 249 D HN 0.371 nan 8.370 nan 0.000 0.442 250 S N 0.158 115.672 115.700 -0.310 0.000 2.780 250 S HA 0.132 4.601 4.470 -0.000 0.000 0.248 250 S C 1.195 175.704 174.600 -0.151 0.000 1.036 250 S CA 0.484 58.505 58.200 -0.298 0.000 1.061 250 S CB 0.019 63.072 63.200 -0.245 0.000 1.037 250 S HN 0.564 nan 8.310 nan 0.000 0.584 251 T N -1.964 112.540 114.554 -0.084 0.000 3.021 251 T HA 0.446 4.796 4.350 -0.000 0.000 0.245 251 T C 1.880 176.665 174.700 0.142 0.000 1.028 251 T CA 1.073 63.185 62.100 0.019 0.000 1.139 251 T CB -0.757 68.129 68.868 0.030 0.000 0.884 251 T HN 1.299 nan 8.240 nan 0.000 0.457 252 G N 1.890 110.849 108.800 0.266 0.000 2.155 252 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.257 252 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.257 252 G C 0.335 175.402 174.900 0.278 0.000 0.983 252 G CA 0.665 45.991 45.100 0.376 0.000 0.676 252 G HN 1.390 nan 8.290 nan 0.000 0.528 253 S N -0.346 115.511 115.700 0.262 0.000 2.589 253 S HA 0.376 4.845 4.470 -0.000 0.000 0.265 253 S C 1.122 175.823 174.600 0.169 0.000 1.342 253 S CA 0.346 58.656 58.200 0.183 0.000 1.005 253 S CB 1.179 64.468 63.200 0.149 0.000 0.909 253 S HN 0.163 nan 8.310 nan 0.000 0.555 254 D N 1.374 121.825 120.400 0.085 0.000 2.178 254 D HA -0.059 4.580 4.640 -0.000 0.000 0.202 254 D C 2.137 178.447 176.300 0.017 0.000 0.974 254 D CA 1.512 55.530 54.000 0.030 0.000 0.841 254 D CB -0.593 40.215 40.800 0.014 0.000 0.953 254 D HN 0.697 nan 8.370 nan 0.000 0.478 255 A N 1.199 124.055 122.820 0.059 0.000 1.873 255 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 255 A C 2.042 179.668 177.584 0.069 0.000 1.186 255 A CA 0.957 53.026 52.037 0.054 0.000 0.616 255 A CB -0.973 18.071 19.000 0.074 0.000 0.823 255 A HN 0.235 nan 8.150 nan 0.000 0.442 256 F N 1.043 121.008 119.950 0.026 0.000 2.069 256 F HA -0.185 4.343 4.527 0.002 0.000 0.298 256 F C 1.854 177.665 175.800 0.019 0.000 1.113 256 F CA 1.841 59.866 58.000 0.043 0.000 1.214 256 F CB -0.663 38.390 39.000 0.088 0.000 0.978 256 F HN 0.140 nan 8.300 nan 0.000 0.474 257 L N 0.185 121.118 121.223 -0.485 0.000 2.079 257 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 257 L C 2.838 179.482 176.870 -0.376 0.000 1.081 257 L CA 1.270 55.766 54.840 -0.573 0.000 0.752 257 L CB -1.380 40.520 42.059 -0.265 0.000 0.896 257 L HN 0.330 nan 8.230 nan 0.000 0.433 258 A N 0.348 123.038 122.820 -0.217 0.000 1.898 258 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 258 A C 2.426 179.915 177.584 -0.158 0.000 1.181 258 A CA 1.645 53.591 52.037 -0.151 0.000 0.620 258 A CB -1.203 17.746 19.000 -0.084 0.000 0.819 258 A HN 0.428 nan 8.150 nan 0.000 0.442 259 G N -0.169 108.541 108.800 -0.150 0.000 2.418 259 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 259 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 259 G C 1.493 176.292 174.900 -0.167 0.000 1.158 259 G CA 1.216 46.251 45.100 -0.107 0.000 0.771 259 G HN 0.479 nan 8.290 nan 0.000 0.545 260 L N 0.924 121.955 121.223 -0.320 0.000 1.989 260 L HA -0.038 4.301 4.340 -0.000 0.000 0.211 260 L C 2.928 179.618 176.870 -0.301 0.000 1.071 260 L CA 1.590 56.217 54.840 -0.355 0.000 0.749 260 L CB -0.736 40.960 42.059 -0.606 0.000 0.890 260 L HN 0.081 nan 8.230 nan 0.000 0.431 261 V N 0.281 120.028 119.914 -0.279 0.000 2.332 261 V HA -0.333 3.786 4.120 -0.000 0.000 0.248 261 V C 2.829 178.816 176.094 -0.179 0.000 1.055 261 V CA 1.696 63.865 62.300 -0.218 0.000 1.038 261 V CB -1.462 30.251 31.823 -0.183 0.000 0.651 261 V HN 0.653 nan 8.190 nan 0.000 0.450 262 A N -0.177 122.552 122.820 -0.151 0.000 1.883 262 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 262 A C 2.039 179.545 177.584 -0.130 0.000 1.186 262 A CA 2.269 54.237 52.037 -0.115 0.000 0.624 262 A CB -0.724 18.229 19.000 -0.080 0.000 0.822 262 A HN 0.524 nan 8.150 nan 0.000 0.444 263 D N -0.220 120.098 120.400 -0.136 0.000 2.117 263 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 263 D C 1.938 178.092 176.300 -0.244 0.000 0.987 263 D CA 0.933 54.842 54.000 -0.151 0.000 0.829 263 D CB -0.273 40.479 40.800 -0.080 0.000 0.961 263 D HN 0.427 nan 8.370 nan 0.000 0.460 264 L N 0.599 121.659 121.223 -0.272 0.000 2.083 264 L HA -0.123 4.216 4.340 -0.000 0.000 0.209 264 L C 2.476 179.220 176.870 -0.210 0.000 1.083 264 L CA 1.062 55.727 54.840 -0.291 0.000 0.752 264 L CB -0.296 41.566 42.059 -0.328 0.000 0.899 264 L HN 0.115 nan 8.230 nan 0.000 0.433 265 R N -0.066 120.328 120.500 -0.176 0.000 2.119 265 R HA -0.129 4.210 4.340 -0.000 0.000 0.222 265 R C 2.207 178.421 176.300 -0.142 0.000 1.088 265 R CA 1.007 57.026 56.100 -0.136 0.000 0.984 265 R CB -0.562 29.671 30.300 -0.111 0.000 0.884 265 R HN 0.314 nan 8.270 nan 0.000 0.447 266 M N 2.526 122.019 119.600 -0.177 0.000 2.065 266 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 266 M C 2.363 178.519 176.300 -0.241 0.000 1.069 266 M CA 2.037 57.216 55.300 -0.201 0.000 1.110 266 M CB -0.207 32.243 32.600 -0.251 0.000 1.328 266 M HN 0.346 nan 8.290 nan 0.000 0.405 267 I N -1.322 119.055 120.570 -0.322 0.000 2.493 267 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 267 I C 2.332 178.377 176.117 -0.119 0.000 1.160 267 I CA 1.311 62.448 61.300 -0.271 0.000 1.445 267 I CB -0.965 36.858 38.000 -0.295 0.000 1.086 267 I HN 0.289 nan 8.210 nan 0.000 0.433 268 A N 1.574 124.326 122.820 -0.113 0.000 1.898 268 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 268 A C 2.238 179.793 177.584 -0.048 0.000 1.181 268 A CA 1.704 53.702 52.037 -0.064 0.000 0.620 268 A CB -0.595 18.367 19.000 -0.064 0.000 0.819 268 A HN 0.603 nan 8.150 nan 0.000 0.442 269 E N -0.120 120.041 120.200 -0.065 0.000 2.028 269 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 269 E C 1.911 178.488 176.600 -0.037 0.000 0.988 269 E CA 1.263 57.634 56.400 -0.048 0.000 0.799 269 E CB -0.349 29.317 29.700 -0.057 0.000 0.755 269 E HN 0.660 nan 8.360 nan 0.000 0.447 270 I N 1.498 122.039 120.570 -0.049 0.000 2.194 270 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 270 I C 2.608 178.719 176.117 -0.010 0.000 1.093 270 I CA 1.115 62.395 61.300 -0.034 0.000 1.355 270 I CB -0.418 37.564 38.000 -0.030 0.000 1.046 270 I HN 0.105 nan 8.210 nan 0.000 0.413 271 A N 0.586 123.409 122.820 0.005 0.000 1.877 271 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 271 A C 2.011 179.613 177.584 0.029 0.000 1.186 271 A CA 2.129 54.188 52.037 0.035 0.000 0.620 271 A CB -0.644 18.382 19.000 0.042 0.000 0.822 271 A HN 0.367 nan 8.150 nan 0.000 0.443 272 D N -0.210 120.197 120.400 0.012 0.000 2.117 272 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 272 D C 1.910 178.218 176.300 0.013 0.000 0.987 272 D CA 1.519 55.527 54.000 0.012 0.000 0.829 272 D CB -0.445 40.356 40.800 0.001 0.000 0.961 272 D HN 0.674 nan 8.370 nan 0.000 0.460 273 E N 0.606 120.809 120.200 0.006 0.000 2.110 273 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 273 E C 1.705 178.316 176.600 0.017 0.000 0.988 273 E CA 0.814 57.218 56.400 0.007 0.000 0.804 273 E CB 0.010 29.708 29.700 -0.003 0.000 0.745 273 E HN 0.249 nan 8.360 nan 0.000 0.458 274 K N -0.483 119.932 120.400 0.025 0.000 2.393 274 K HA 0.093 4.413 4.320 -0.000 0.000 0.193 274 K C 0.734 177.366 176.600 0.054 0.000 1.026 274 K CA 0.424 56.737 56.287 0.043 0.000 1.064 274 K CB 0.825 33.358 32.500 0.056 0.000 0.833 274 K HN 0.200 nan 8.250 nan 0.000 0.521 275 G N 2.593 111.422 108.800 0.047 0.000 2.246 275 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 275 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 275 G C -0.305 174.638 174.900 0.072 0.000 1.055 275 G CA 0.515 45.646 45.100 0.052 0.000 0.851 275 G HN 0.253 nan 8.290 nan 0.000 0.500 276 K N -1.594 118.856 120.400 0.083 0.000 2.279 276 K HA 0.771 5.091 4.320 -0.000 0.000 0.238 276 K C -0.103 176.561 176.600 0.108 0.000 1.084 276 K CA -1.017 55.338 56.287 0.113 0.000 0.885 276 K CB 1.947 34.535 32.500 0.146 0.000 1.319 276 K HN 0.033 nan 8.250 nan 0.000 0.494 277 V N 1.407 121.404 119.914 0.137 0.000 2.547 277 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 277 V C -0.332 175.836 176.094 0.124 0.000 1.040 277 V CA -0.529 61.846 62.300 0.125 0.000 0.913 277 V CB 1.544 33.461 31.823 0.157 0.000 0.992 277 V HN 0.925 nan 8.190 nan 0.000 0.449 278 S N 2.825 118.569 115.700 0.073 0.000 2.568 278 S HA 0.982 5.452 4.470 -0.000 0.000 0.302 278 S C -0.540 174.042 174.600 -0.029 0.000 1.082 278 S CA -0.297 57.929 58.200 0.043 0.000 1.009 278 S CB 2.211 65.417 63.200 0.009 0.000 1.069 278 S HN 1.581 nan 8.310 nan 0.000 0.500 279 A N 1.045 123.809 122.820 -0.093 0.000 2.605 279 A HA 0.628 4.947 4.320 -0.000 0.000 0.294 279 A C -1.371 176.135 177.584 -0.129 0.000 1.062 279 A CA -0.657 51.217 52.037 -0.272 0.000 0.682 279 A CB 0.836 19.317 19.000 -0.865 0.000 1.278 279 A HN 0.906 nan 8.150 nan 0.000 0.410 280 F N 3.420 123.221 119.950 -0.249 0.000 2.661 280 F HA 0.240 4.767 4.527 0.001 0.000 0.356 280 F C 1.969 177.754 175.800 -0.025 0.000 1.244 280 F CA -0.010 57.944 58.000 -0.077 0.000 1.290 280 F CB -0.527 38.447 39.000 -0.044 0.000 1.677 280 F HN 0.704 nan 8.300 nan 0.000 0.649 281 T N -0.735 113.947 114.554 0.213 0.000 2.760 281 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 281 T C 0.546 175.417 174.700 0.284 0.000 1.047 281 T CA 1.217 63.450 62.100 0.220 0.000 1.139 281 T CB -0.069 68.931 68.868 0.221 0.000 0.855 281 T HN 0.496 nan 8.240 nan 0.000 0.471 282 E N 0.186 120.555 120.200 0.282 0.000 2.291 282 E HA 0.550 4.900 4.350 -0.000 0.000 0.276 282 E C -1.576 174.956 176.600 -0.113 0.000 0.896 282 E CA -0.946 55.531 56.400 0.129 0.000 0.774 282 E CB 2.186 32.002 29.700 0.193 0.000 1.227 282 E HN 0.463 nan 8.360 nan 0.000 0.413 283 F N 0.484 120.076 119.950 -0.598 0.000 2.654 283 F HA 0.891 5.418 4.527 0.001 0.000 0.308 283 F C -0.460 175.030 175.800 -0.517 0.000 1.108 283 F CA -0.463 57.086 58.000 -0.751 0.000 0.957 283 F CB 1.781 40.048 39.000 -1.222 0.000 1.309 283 F HN 0.541 nan 8.300 nan 0.000 0.446 284 G N 0.774 109.278 108.800 -0.494 0.000 2.321 284 G HA2 0.428 4.388 3.960 -0.000 0.000 0.298 284 G HA3 0.428 4.388 3.960 -0.000 0.000 0.298 284 G C -2.278 172.372 174.900 -0.417 0.000 1.385 284 G CA -0.577 44.312 45.100 -0.352 0.000 0.856 284 G HN 0.882 nan 8.290 nan 0.000 0.584 285 V N 1.192 120.687 119.914 -0.698 0.000 2.555 285 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 285 V C 1.043 177.007 176.094 -0.217 0.000 1.044 285 V CA -0.165 61.609 62.300 -0.877 0.000 1.026 285 V CB 1.263 32.527 31.823 -0.932 0.000 0.981 285 V HN 0.791 nan 8.190 nan 0.000 0.480 286 S N 3.814 119.390 115.700 -0.207 0.000 2.552 286 S HA 0.343 4.813 4.470 -0.000 0.000 0.289 286 S C 1.372 175.856 174.600 -0.193 0.000 1.304 286 S CA 0.479 58.608 58.200 -0.118 0.000 1.063 286 S CB 0.562 63.667 63.200 -0.157 0.000 0.848 286 S HN 1.551 nan 8.310 nan 0.000 0.499 287 G N 2.036 110.735 108.800 -0.169 0.000 2.189 287 G HA2 0.018 3.977 3.960 -0.000 0.000 0.267 287 G HA3 0.018 3.977 3.960 -0.000 0.000 0.267 287 G C 0.792 175.450 174.900 -0.403 0.000 0.975 287 G CA 0.264 45.234 45.100 -0.216 0.000 0.644 287 G HN 1.911 nan 8.290 nan 0.000 0.537 288 G N -2.572 105.872 108.800 -0.594 0.000 2.728 288 G HA2 0.116 4.075 3.960 -0.000 0.000 0.294 288 G HA3 0.116 4.075 3.960 -0.000 0.000 0.294 288 G C 0.445 174.917 174.900 -0.714 0.000 1.342 288 G CA 0.166 44.565 45.100 -1.168 0.000 0.866 288 G HN 1.318 nan 8.290 nan 0.000 0.534 289 V N 1.708 121.167 119.914 -0.758 0.000 3.578 289 V HA 0.474 4.594 4.120 -0.000 0.000 0.290 289 V C 1.832 177.579 176.094 -0.578 0.000 1.376 289 V CA 1.855 63.839 62.300 -0.527 0.000 1.083 289 V CB -0.133 31.491 31.823 -0.331 0.000 0.911 289 V HN 1.336 nan 8.190 nan 0.000 0.433 290 G N -0.877 107.449 108.800 -0.790 0.000 2.641 290 G HA2 0.233 4.193 3.960 -0.000 0.000 0.239 290 G HA3 0.233 4.193 3.960 -0.000 0.000 0.239 290 G C 1.097 175.870 174.900 -0.211 0.000 1.402 290 G CA 0.738 45.535 45.100 -0.505 0.000 1.046 290 G HN 0.102 nan 8.290 nan 0.000 0.565 291 T N 1.103 115.614 114.554 -0.071 0.000 2.649 291 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 291 T C 1.764 176.414 174.700 -0.084 0.000 1.036 291 T CA 1.811 63.880 62.100 -0.051 0.000 1.157 291 T CB -0.225 68.639 68.868 -0.007 0.000 0.861 291 T HN 0.424 nan 8.240 nan 0.000 0.445 292 N N 0.827 119.465 118.700 -0.103 0.000 2.314 292 N HA 0.195 4.935 4.740 -0.000 0.000 0.200 292 N C 0.760 176.172 175.510 -0.163 0.000 1.135 292 N CA 0.044 53.028 53.050 -0.111 0.000 0.835 292 N CB 0.417 38.852 38.487 -0.086 0.000 0.989 292 N HN 0.446 nan 8.380 nan 0.000 0.478 293 G N -0.507 108.164 108.800 -0.215 0.000 2.890 293 G HA2 0.597 4.557 3.960 -0.000 0.000 0.189 293 G HA3 0.597 4.557 3.960 -0.000 0.000 0.189 293 G C -0.534 174.231 174.900 -0.226 0.000 1.342 293 G CA -0.192 44.745 45.100 -0.271 0.000 1.026 293 G HN 0.113 nan 8.290 nan 0.000 0.579 294 S N -1.840 113.705 115.700 -0.259 0.000 2.618 294 S HA 0.613 5.083 4.470 -0.000 0.000 0.277 294 S C -0.712 173.760 174.600 -0.214 0.000 1.138 294 S CA -0.488 57.586 58.200 -0.210 0.000 0.844 294 S CB 2.039 65.112 63.200 -0.211 0.000 1.127 294 S HN 0.389 nan 8.310 nan 0.000 0.474 295 S N 2.352 117.967 115.700 -0.143 0.000 2.139 295 S HA 0.355 4.825 4.470 -0.000 0.000 0.183 295 S C -2.673 171.897 174.600 -0.049 0.000 1.473 295 S CA -0.872 57.271 58.200 -0.095 0.000 1.263 295 S CB 0.074 63.248 63.200 -0.044 0.000 1.170 295 S HN 0.381 nan 8.310 nan 0.000 0.430 296 P HA 0.148 nan 4.420 nan 0.000 0.264 296 P C -0.264 177.107 177.300 0.119 0.000 1.193 296 P CA 0.005 63.124 63.100 0.033 0.000 0.763 296 P CB 0.334 32.074 31.700 0.066 0.000 0.810 297 A N 4.004 126.891 122.820 0.112 0.000 2.548 297 A HA -0.023 4.296 4.320 -0.000 0.000 0.247 297 A C 0.763 178.445 177.584 0.164 0.000 1.067 297 A CA 0.100 52.210 52.037 0.121 0.000 0.757 297 A CB -0.733 18.320 19.000 0.088 0.000 0.996 297 A HN 0.740 nan 8.150 nan 0.000 0.504 298 Q N 0.522 120.432 119.800 0.184 0.000 2.437 298 Q HA -0.296 4.044 4.340 -0.000 0.000 0.274 298 Q C 0.485 176.625 176.000 0.234 0.000 1.165 298 Q CA 1.240 57.167 55.803 0.207 0.000 0.925 298 Q CB -2.011 26.811 28.738 0.140 0.000 1.327 298 Q HN 0.973 nan 8.270 nan 0.000 0.505 299 W N 0.097 121.422 121.300 0.041 0.000 2.318 299 W HA -0.246 4.417 4.660 0.004 0.000 0.313 299 W C 1.391 177.903 176.519 -0.011 0.000 1.221 299 W CA 2.284 59.598 57.345 -0.051 0.000 1.266 299 W CB -0.376 28.930 29.460 -0.258 0.000 1.150 299 W HN 0.375 nan 8.180 nan 0.000 0.496 300 F N 0.260 120.454 119.950 0.407 0.000 2.102 300 F HA -0.231 4.293 4.527 -0.004 0.000 0.298 300 F C 2.841 178.755 175.800 0.190 0.000 1.105 300 F CA 2.446 60.597 58.000 0.252 0.000 1.239 300 F CB -1.514 37.639 39.000 0.256 0.000 0.991 300 F HN -0.097 nan 8.300 nan 0.000 0.474 301 T N -2.098 112.680 114.554 0.373 0.000 2.867 301 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 301 T C 1.857 176.616 174.700 0.098 0.000 1.057 301 T CA 1.104 63.347 62.100 0.240 0.000 1.136 301 T CB -0.374 68.600 68.868 0.178 0.000 0.874 301 T HN 0.190 nan 8.240 nan 0.000 0.466 302 K N 0.619 121.040 120.400 0.035 0.000 2.057 302 K HA 0.036 4.355 4.320 -0.000 0.000 0.206 302 K C 2.357 178.887 176.600 -0.116 0.000 1.050 302 K CA 1.140 57.401 56.287 -0.043 0.000 0.935 302 K CB -0.419 32.051 32.500 -0.050 0.000 0.715 302 K HN 0.184 nan 8.250 nan 0.000 0.439 303 V N 1.801 121.580 119.914 -0.225 0.000 2.358 303 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 303 V C 2.191 178.238 176.094 -0.078 0.000 1.047 303 V CA 1.446 63.592 62.300 -0.257 0.000 1.035 303 V CB -0.329 31.187 31.823 -0.511 0.000 0.658 303 V HN 0.339 nan 8.190 nan 0.000 0.452 304 L N -0.136 121.118 121.223 0.052 0.000 2.017 304 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 304 L C 2.667 179.520 176.870 -0.028 0.000 1.073 304 L CA 1.860 56.755 54.840 0.091 0.000 0.745 304 L CB -0.607 41.558 42.059 0.177 0.000 0.894 304 L HN 0.385 nan 8.230 nan 0.000 0.432 305 A N -0.167 122.632 122.820 -0.035 0.000 1.892 305 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 305 A C 2.430 179.948 177.584 -0.110 0.000 1.188 305 A CA 2.036 54.028 52.037 -0.076 0.000 0.631 305 A CB -0.914 18.056 19.000 -0.049 0.000 0.822 305 A HN 0.549 nan 8.150 nan 0.000 0.447 306 A N -0.418 122.336 122.820 -0.110 0.000 1.940 306 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 306 A C 2.157 179.654 177.584 -0.145 0.000 1.176 306 A CA 1.578 53.535 52.037 -0.133 0.000 0.631 306 A CB -0.574 18.328 19.000 -0.163 0.000 0.814 306 A HN 0.524 nan 8.150 nan 0.000 0.446 307 I N 0.135 120.625 120.570 -0.133 0.000 2.133 307 I HA -0.274 3.896 4.170 -0.000 0.000 0.238 307 I C 2.439 178.437 176.117 -0.197 0.000 1.074 307 I CA 1.938 63.160 61.300 -0.129 0.000 1.342 307 I CB -0.231 37.741 38.000 -0.046 0.000 1.053 307 I HN 0.468 nan 8.210 nan 0.000 0.404 308 K N 1.386 121.606 120.400 -0.300 0.000 2.504 308 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 308 K C 1.774 178.185 176.600 -0.316 0.000 1.036 308 K CA 1.002 56.990 56.287 -0.498 0.000 0.984 308 K CB -0.137 31.865 32.500 -0.829 0.000 0.788 308 K HN 0.223 nan 8.250 nan 0.000 0.488 309 A N 1.494 124.187 122.820 -0.212 0.000 2.067 309 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 309 A C 0.617 178.121 177.584 -0.135 0.000 1.156 309 A CA 0.675 52.619 52.037 -0.155 0.000 0.683 309 A CB -0.063 18.863 19.000 -0.123 0.000 0.808 309 A HN 0.389 nan 8.150 nan 0.000 0.455 310 D N -0.368 119.948 120.400 -0.141 0.000 2.280 310 D HA 0.230 4.870 4.640 -0.000 0.000 0.236 310 D C -1.839 174.395 176.300 -0.110 0.000 1.082 310 D CA -1.818 52.113 54.000 -0.115 0.000 0.834 310 D CB 1.791 42.523 40.800 -0.114 0.000 1.100 310 D HN 0.031 nan 8.370 nan 0.000 0.486 311 P HA -0.109 nan 4.420 nan 0.000 0.220 311 P C 1.318 178.587 177.300 -0.051 0.000 1.148 311 P CA 0.515 63.574 63.100 -0.067 0.000 0.803 311 P CB 0.716 32.384 31.700 -0.053 0.000 0.782 312 V N 0.480 120.358 119.914 -0.059 0.000 2.575 312 V HA 0.046 4.166 4.120 -0.000 0.000 0.242 312 V C 2.811 178.868 176.094 -0.062 0.000 1.045 312 V CA 1.527 63.794 62.300 -0.054 0.000 1.065 312 V CB -1.507 30.280 31.823 -0.059 0.000 0.717 312 V HN 0.038 nan 8.190 nan 0.000 0.467 313 A N 1.108 123.877 122.820 -0.085 0.000 2.070 313 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 313 A C 2.364 179.910 177.584 -0.063 0.000 1.159 313 A CA 1.919 53.894 52.037 -0.102 0.000 0.656 313 A CB -0.580 18.340 19.000 -0.133 0.000 0.800 313 A HN 0.674 nan 8.150 nan 0.000 0.453 314 S N -0.702 114.973 115.700 -0.040 0.000 2.561 314 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 314 S C 1.051 175.727 174.600 0.128 0.000 0.977 314 S CA 0.003 58.229 58.200 0.044 0.000 0.926 314 S CB -0.247 62.922 63.200 -0.052 0.000 0.769 314 S HN 0.530 nan 8.310 nan 0.000 0.533 315 R N 2.576 123.104 120.500 0.046 0.000 4.556 315 R HA 0.327 4.667 4.340 -0.000 0.000 0.197 315 R C -0.803 175.510 176.300 0.021 0.000 1.791 315 R CA -0.070 56.055 56.100 0.041 0.000 1.526 315 R CB -0.320 29.987 30.300 0.012 0.000 1.410 315 R HN 0.335 nan 8.270 nan 0.000 0.826 316 N N -0.301 118.425 118.700 0.042 0.000 2.371 316 N HA 0.157 4.897 4.740 -0.000 0.000 0.291 316 N C 0.174 175.700 175.510 0.027 0.000 1.053 316 N CA -0.215 52.843 53.050 0.014 0.000 0.870 316 N CB 2.065 40.553 38.487 0.000 0.000 1.503 316 N HN 0.176 nan 8.380 nan 0.000 0.485 317 A N 1.984 124.818 122.820 0.023 0.000 1.933 317 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 317 A C 0.147 177.859 177.584 0.213 0.000 1.175 317 A CA 1.563 53.660 52.037 0.100 0.000 0.628 317 A CB -0.439 18.684 19.000 0.206 0.000 0.814 317 A HN 0.757 nan 8.150 nan 0.000 0.444 318 Y N -3.646 116.704 120.300 0.083 0.000 2.689 318 Y HA 0.656 5.206 4.550 -0.001 0.000 0.333 318 Y C -0.978 175.011 175.900 0.147 0.000 1.208 318 Y CA -1.924 56.228 58.100 0.088 0.000 1.055 318 Y CB 0.863 39.365 38.460 0.071 0.000 1.304 318 Y HN 0.225 nan 8.280 nan 0.000 0.455 319 M N 1.175 120.959 119.600 0.306 0.000 2.183 319 M HA 0.569 5.049 4.480 -0.000 0.000 0.277 319 M C -1.973 174.559 176.300 0.388 0.000 0.995 319 M CA -0.578 54.850 55.300 0.214 0.000 0.969 319 M CB 2.636 35.136 32.600 -0.167 0.000 1.659 319 M HN 0.857 nan 8.290 nan 0.000 0.462 320 E N 2.241 122.673 120.200 0.387 0.000 2.171 320 E HA 0.507 4.857 4.350 -0.000 0.000 0.271 320 E C -1.366 175.258 176.600 0.040 0.000 0.916 320 E CA -0.259 56.229 56.400 0.147 0.000 0.774 320 E CB 2.333 32.113 29.700 0.132 0.000 1.128 320 E HN 0.812 nan 8.360 nan 0.000 0.403 321 T N 2.937 117.381 114.554 -0.184 0.000 2.948 321 T HA 0.254 4.604 4.350 -0.000 0.000 0.285 321 T C -0.552 174.146 174.700 -0.003 0.000 1.019 321 T CA -0.551 61.346 62.100 -0.340 0.000 1.013 321 T CB 0.581 69.183 68.868 -0.443 0.000 1.117 321 T HN 0.479 nan 8.240 nan 0.000 0.533 322 W N 1.258 122.283 121.300 -0.459 0.000 2.030 322 W HA 0.546 5.204 4.660 -0.004 0.000 0.360 322 W C 0.639 177.028 176.519 -0.216 0.000 1.370 322 W CA -0.908 56.093 57.345 -0.572 0.000 1.433 322 W CB 0.567 29.245 29.460 -1.305 0.000 1.204 322 W HN 0.795 nan 8.180 nan 0.000 0.649 323 A N 2.173 124.445 122.820 -0.913 0.000 2.448 323 A HA -0.019 4.301 4.320 -0.000 0.000 0.239 323 A C -0.215 177.100 177.584 -0.450 0.000 1.080 323 A CA -0.003 51.469 52.037 -0.941 0.000 0.779 323 A CB -0.017 17.958 19.000 -1.709 0.000 1.026 323 A HN 0.583 nan 8.150 nan 0.000 0.499 324 N N 1.224 119.748 118.700 -0.292 0.000 3.301 324 N HA 0.344 5.084 4.740 -0.000 0.000 0.289 324 N C -0.001 175.471 175.510 -0.063 0.000 1.343 324 N CA -0.108 52.935 53.050 -0.012 0.000 1.136 324 N CB -0.233 38.328 38.487 0.122 0.000 1.402 324 N HN 0.551 nan 8.380 nan 0.000 0.516 325 F N 0.450 120.403 119.950 0.005 0.000 2.031 325 F HA -0.067 4.457 4.527 -0.004 0.000 0.295 325 F C 1.046 176.878 175.800 0.054 0.000 1.133 325 F CA 0.818 58.740 58.000 -0.130 0.000 1.188 325 F CB -0.313 38.562 39.000 -0.207 0.000 0.974 325 F HN 0.288 nan 8.300 nan 0.000 0.473 326 D N -3.243 117.319 120.400 0.270 0.000 2.664 326 D HA 0.517 5.157 4.640 -0.000 0.000 0.292 326 D C 0.645 177.031 176.300 0.143 0.000 1.214 326 D CA -0.187 53.911 54.000 0.164 0.000 0.932 326 D CB 0.551 41.439 40.800 0.146 0.000 1.420 326 D HN 0.028 nan 8.370 nan 0.000 0.471 327 A N -0.212 122.657 122.820 0.080 0.000 1.940 327 A HA 0.064 4.383 4.320 -0.000 0.000 0.219 327 A C 1.996 179.700 177.584 0.201 0.000 1.176 327 A CA 2.252 54.346 52.037 0.095 0.000 0.631 327 A CB -1.589 17.438 19.000 0.045 0.000 0.814 327 A HN 0.644 nan 8.150 nan 0.000 0.446 328 G N -1.668 107.205 108.800 0.122 0.000 2.430 328 G HA2 0.066 4.026 3.960 -0.000 0.000 0.216 328 G HA3 0.066 4.026 3.960 -0.000 0.000 0.216 328 G C 0.863 175.775 174.900 0.020 0.000 1.146 328 G CA 0.868 46.001 45.100 0.056 0.000 0.793 328 G HN 0.597 nan 8.290 nan 0.000 0.537 329 Q N 0.552 120.416 119.800 0.106 0.000 2.490 329 Q HA 0.343 4.682 4.340 -0.000 0.000 0.255 329 Q C -1.327 174.761 176.000 0.146 0.000 0.997 329 Q CA -0.835 54.998 55.803 0.051 0.000 0.709 329 Q CB 0.607 29.448 28.738 0.172 0.000 1.255 329 Q HN 0.650 nan 8.270 nan 0.000 0.486 330 H N 1.609 120.541 119.070 -0.230 0.000 3.046 330 H HA 0.296 4.846 4.556 -0.009 0.000 0.361 330 H C -1.267 173.798 175.328 -0.439 0.000 1.235 330 H CA -0.832 55.118 56.048 -0.163 0.000 1.146 330 H CB 0.615 30.335 29.762 -0.070 0.000 1.859 330 H HN 0.449 nan 8.280 nan 0.000 0.548 331 F N 0.397 120.364 119.950 0.029 0.000 2.727 331 F HA 0.230 4.762 4.527 0.009 0.000 0.302 331 F C 0.841 176.575 175.800 -0.110 0.000 1.107 331 F CA -0.009 57.970 58.000 -0.035 0.000 1.277 331 F CB 1.029 40.063 39.000 0.058 0.000 1.079 331 F HN 0.156 nan 8.300 nan 0.000 0.594 332 V N 2.910 122.784 119.914 -0.067 0.000 2.370 332 V HA 0.324 4.444 4.120 -0.000 0.000 0.279 332 V C -2.179 173.742 176.094 -0.290 0.000 1.029 332 V CA -2.239 59.751 62.300 -0.517 0.000 0.870 332 V CB 1.289 32.664 31.823 -0.746 0.000 0.984 332 V HN -0.165 nan 8.190 nan 0.000 0.451 333 P HA 0.178 nan 4.420 nan 0.000 0.266 333 P C -0.686 176.568 177.300 -0.077 0.000 1.195 333 P CA 0.272 63.317 63.100 -0.091 0.000 0.768 333 P CB 0.662 32.336 31.700 -0.043 0.000 0.838 334 V N 0.272 120.189 119.914 0.006 0.000 3.102 334 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 334 V C -2.792 173.302 176.094 0.001 0.000 1.135 334 V CA -3.435 58.846 62.300 -0.033 0.000 1.022 334 V CB 1.352 33.113 31.823 -0.103 0.000 1.056 334 V HN 0.220 nan 8.190 nan 0.000 0.436 335 P HA 0.270 nan 4.420 nan 0.000 0.257 335 P C 0.926 178.232 177.300 0.009 0.000 1.162 335 P CA 2.211 65.314 63.100 0.005 0.000 0.762 335 P CB 0.248 31.946 31.700 -0.004 0.000 0.753 336 G N 2.340 111.153 108.800 0.021 0.000 2.278 336 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.210 336 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.210 336 G C -0.257 174.665 174.900 0.037 0.000 1.000 336 G CA -0.475 44.639 45.100 0.024 0.000 0.635 336 G HN 0.492 nan 8.290 nan 0.000 0.495 337 D N 0.904 121.336 120.400 0.053 0.000 2.264 337 D HA 0.621 5.260 4.640 -0.000 0.000 0.250 337 D C 1.413 177.745 176.300 0.054 0.000 1.113 337 D CA 0.393 54.428 54.000 0.059 0.000 0.871 337 D CB 1.486 42.340 40.800 0.091 0.000 1.167 337 D HN 0.329 nan 8.370 nan 0.000 0.447 338 A N 2.779 125.624 122.820 0.041 0.000 1.978 338 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 338 A C 1.917 179.555 177.584 0.089 0.000 1.170 338 A CA 1.014 53.082 52.037 0.051 0.000 0.636 338 A CB -0.369 18.651 19.000 0.033 0.000 0.810 338 A HN 0.620 nan 8.150 nan 0.000 0.448 339 L N -0.528 120.764 121.223 0.116 0.000 2.591 339 L HA 0.028 4.368 4.340 -0.000 0.000 0.228 339 L C 2.086 179.100 176.870 0.241 0.000 1.133 339 L CA -0.200 54.770 54.840 0.216 0.000 0.880 339 L CB -0.158 42.083 42.059 0.303 0.000 1.033 339 L HN 0.405 nan 8.230 nan 0.000 0.450 340 L N 0.314 121.629 121.223 0.154 0.000 1.990 340 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 340 L C 2.383 179.349 176.870 0.160 0.000 1.072 340 L CA 1.970 56.896 54.840 0.144 0.000 0.755 340 L CB -0.436 41.676 42.059 0.087 0.000 0.889 340 L HN 0.279 nan 8.230 nan 0.000 0.432 341 E N -0.822 119.451 120.200 0.123 0.000 2.049 341 E HA -0.324 4.026 4.350 -0.000 0.000 0.198 341 E C 1.894 178.568 176.600 0.123 0.000 1.007 341 E CA 1.784 58.242 56.400 0.098 0.000 0.809 341 E CB -0.155 29.593 29.700 0.080 0.000 0.749 341 E HN 0.667 nan 8.360 nan 0.000 0.450 342 D N -0.786 119.728 120.400 0.190 0.000 2.144 342 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 342 D C 1.744 178.201 176.300 0.263 0.000 0.984 342 D CA 0.939 55.088 54.000 0.249 0.000 0.834 342 D CB -0.204 40.805 40.800 0.347 0.000 0.955 342 D HN 0.175 nan 8.370 nan 0.000 0.465 343 F N 1.050 121.045 119.950 0.074 0.000 2.171 343 F HA -0.087 4.441 4.527 0.002 0.000 0.300 343 F C 2.174 177.920 175.800 -0.090 0.000 1.090 343 F CA 1.374 59.231 58.000 -0.239 0.000 1.293 343 F CB -0.314 38.373 39.000 -0.523 0.000 1.013 343 F HN -0.006 nan 8.300 nan 0.000 0.486 344 Q N -0.069 119.648 119.800 -0.139 0.000 2.167 344 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 344 Q C 2.444 178.325 176.000 -0.198 0.000 0.970 344 Q CA 1.263 56.933 55.803 -0.222 0.000 0.855 344 Q CB -0.419 28.278 28.738 -0.068 0.000 0.911 344 Q HN 0.531 nan 8.270 nan 0.000 0.438 345 A N 0.320 123.094 122.820 -0.077 0.000 1.898 345 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 345 A C 1.894 179.447 177.584 -0.051 0.000 1.181 345 A CA 1.190 53.203 52.037 -0.040 0.000 0.620 345 A CB -0.789 18.231 19.000 0.033 0.000 0.819 345 A HN 0.537 nan 8.150 nan 0.000 0.442 346 Y N 0.754 120.949 120.300 -0.175 0.000 2.224 346 Y HA -0.072 4.479 4.550 0.001 0.000 0.289 346 Y C 2.423 178.176 175.900 -0.246 0.000 1.146 346 Y CA 1.171 59.177 58.100 -0.157 0.000 1.182 346 Y CB -0.407 37.977 38.460 -0.125 0.000 0.983 346 Y HN 0.281 nan 8.280 nan 0.000 0.524 347 A N 0.397 123.021 122.820 -0.328 0.000 1.968 347 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 347 A C 2.350 179.697 177.584 -0.395 0.000 1.169 347 A CA 1.269 53.043 52.037 -0.438 0.000 0.638 347 A CB -1.267 17.272 19.000 -0.769 0.000 0.812 347 A HN 0.585 nan 8.150 nan 0.000 0.446 348 A N -0.386 122.257 122.820 -0.294 0.000 2.014 348 A HA -0.013 4.306 4.320 -0.000 0.000 0.218 348 A C 1.113 178.614 177.584 -0.137 0.000 1.163 348 A CA 0.681 52.594 52.037 -0.206 0.000 0.652 348 A CB -0.416 18.494 19.000 -0.150 0.000 0.808 348 A HN 0.490 nan 8.150 nan 0.000 0.449 349 D N 0.018 120.336 120.400 -0.138 0.000 2.493 349 D HA 0.041 4.680 4.640 -0.000 0.000 0.240 349 D C -1.604 174.672 176.300 -0.041 0.000 1.142 349 D CA -1.143 52.807 54.000 -0.084 0.000 0.872 349 D CB 0.988 41.723 40.800 -0.107 0.000 1.173 349 D HN 0.024 nan 8.370 nan 0.000 0.467 350 P HA -0.123 nan 4.420 nan 0.000 0.218 350 P C 1.181 178.525 177.300 0.074 0.000 1.148 350 P CA 0.700 63.822 63.100 0.036 0.000 0.822 350 P CB -0.017 31.710 31.700 0.046 0.000 0.784 351 F N 0.399 120.312 119.950 -0.062 0.000 2.325 351 F HA -0.040 4.486 4.527 -0.001 0.000 0.299 351 F C 0.884 176.652 175.800 -0.055 0.000 1.090 351 F CA 0.900 58.867 58.000 -0.056 0.000 1.392 351 F CB -0.691 38.267 39.000 -0.071 0.000 1.053 351 F HN -0.150 nan 8.300 nan 0.000 0.521 352 T N 0.827 115.347 114.554 -0.057 0.000 2.780 352 T HA 0.498 4.847 4.350 -0.000 0.000 0.294 352 T C -0.432 174.306 174.700 0.063 0.000 0.949 352 T CA -0.631 61.414 62.100 -0.092 0.000 1.074 352 T CB 0.975 69.694 68.868 -0.249 0.000 0.910 352 T HN 0.064 nan 8.240 nan 0.000 0.501 353 L N 3.405 124.633 121.223 0.008 0.000 2.307 353 L HA 0.634 4.974 4.340 -0.000 0.000 0.284 353 L C -0.516 176.401 176.870 0.079 0.000 1.023 353 L CA -0.997 53.909 54.840 0.109 0.000 0.810 353 L CB 0.951 43.027 42.059 0.028 0.000 1.231 353 L HN 0.560 nan 8.230 nan 0.000 0.423 354 F N -0.021 120.001 119.950 0.121 0.000 2.585 354 F HA 0.551 5.077 4.527 -0.002 0.000 0.350 354 F C 1.333 177.245 175.800 0.187 0.000 1.074 354 F CA -0.263 57.852 58.000 0.191 0.000 1.032 354 F CB 1.139 40.238 39.000 0.164 0.000 1.330 354 F HN 0.514 nan 8.300 nan 0.000 0.495 355 A N 0.353 123.427 122.820 0.423 0.000 1.896 355 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 355 A C 2.220 179.939 177.584 0.224 0.000 1.206 355 A CA 3.079 55.312 52.037 0.327 0.000 0.647 355 A CB -1.637 17.620 19.000 0.428 0.000 0.828 355 A HN 0.781 nan 8.150 nan 0.000 0.455 356 S N -0.299 115.542 115.700 0.234 0.000 2.442 356 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 356 S C 1.254 175.925 174.600 0.118 0.000 1.007 356 S CA 1.415 59.707 58.200 0.152 0.000 0.965 356 S CB -0.408 62.877 63.200 0.141 0.000 0.773 356 S HN 0.702 nan 8.310 nan 0.000 0.504 357 E N 0.421 120.708 120.200 0.145 0.000 2.465 357 E HA 0.226 4.576 4.350 -0.000 0.000 0.191 357 E C -0.809 175.856 176.600 0.108 0.000 1.053 357 E CA -0.123 56.347 56.400 0.116 0.000 0.869 357 E CB 0.674 30.452 29.700 0.131 0.000 0.977 357 E HN 0.291 nan 8.360 nan 0.000 0.483 358 V N 2.124 122.091 119.914 0.089 0.000 2.313 358 V HA 0.253 4.372 4.120 -0.000 0.000 0.278 358 V C -0.127 175.910 176.094 -0.094 0.000 1.017 358 V CA -0.396 61.922 62.300 0.030 0.000 0.823 358 V CB 1.077 32.912 31.823 0.020 0.000 1.010 358 V HN 0.162 nan 8.190 nan 0.000 0.443 359 T N 0.366 114.837 114.554 -0.139 0.000 2.933 359 T HA 0.657 5.007 4.350 -0.000 0.000 0.305 359 T C 0.603 175.154 174.700 -0.247 0.000 1.092 359 T CA -0.034 61.967 62.100 -0.166 0.000 1.008 359 T CB 1.787 70.622 68.868 -0.055 0.000 1.102 359 T HN 1.502 nan 8.240 nan 0.000 0.469 360 G N 0.720 109.370 108.800 -0.251 0.000 2.147 360 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.244 360 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.244 360 G C 1.002 175.664 174.900 -0.398 0.000 1.005 360 G CA 0.249 45.219 45.100 -0.217 0.000 0.713 360 G HN 1.572 nan 8.290 nan 0.000 0.515 361 A N -0.732 121.606 122.820 -0.802 0.000 1.969 361 A HA 0.433 4.753 4.320 -0.000 0.000 0.218 361 A C 1.570 178.741 177.584 -0.689 0.000 1.169 361 A CA 1.874 53.217 52.037 -1.157 0.000 0.635 361 A CB -0.248 17.780 19.000 -1.620 0.000 0.810 361 A HN 0.765 nan 8.150 nan 0.000 0.445 362 F N -0.263 119.595 119.950 -0.153 0.000 2.639 362 F HA 0.237 4.764 4.527 -0.001 0.000 0.302 362 F C 0.614 176.388 175.800 -0.045 0.000 1.097 362 F CA -0.696 57.261 58.000 -0.071 0.000 1.294 362 F CB 0.331 39.290 39.000 -0.068 0.000 1.027 362 F HN 0.132 nan 8.300 nan 0.000 0.550 363 D N 0.027 120.461 120.400 0.056 0.000 2.369 363 D HA 0.094 4.734 4.640 -0.000 0.000 0.211 363 D C 0.799 177.124 176.300 0.043 0.000 1.077 363 D CA 0.161 54.189 54.000 0.047 0.000 0.842 363 D CB 0.339 41.148 40.800 0.015 0.000 0.947 363 D HN 0.196 nan 8.370 nan 0.000 0.509 364 R N 0.184 120.715 120.500 0.051 0.000 2.615 364 R HA 0.343 4.683 4.340 -0.000 0.000 0.270 364 R C 0.145 176.480 176.300 0.058 0.000 1.081 364 R CA 0.253 56.387 56.100 0.057 0.000 1.154 364 R CB 0.566 30.910 30.300 0.073 0.000 1.063 364 R HN -0.239 nan 8.270 nan 0.000 0.519 365 T N 2.263 116.847 114.554 0.049 0.000 3.042 365 T HA 0.315 4.665 4.350 -0.000 0.000 0.356 365 T C -0.673 174.054 174.700 0.045 0.000 1.233 365 T CA -0.637 61.489 62.100 0.043 0.000 1.038 365 T CB 0.296 69.183 68.868 0.033 0.000 1.089 365 T HN 0.407 nan 8.240 nan 0.000 0.531 366 V N 0.618 120.563 119.914 0.052 0.000 2.680 366 V HA 1.015 5.135 4.120 -0.000 0.000 0.309 366 V C -0.053 176.069 176.094 0.046 0.000 1.052 366 V CA -1.470 60.860 62.300 0.051 0.000 0.908 366 V CB 1.473 33.334 31.823 0.063 0.000 1.001 366 V HN 0.745 nan 8.190 nan 0.000 0.431 367 A N 3.088 125.932 122.820 0.040 0.000 2.303 367 A HA 0.917 5.237 4.320 -0.000 0.000 0.317 367 A C 0.427 178.034 177.584 0.039 0.000 1.149 367 A CA -0.182 51.876 52.037 0.035 0.000 0.822 367 A CB 1.012 20.028 19.000 0.027 0.000 1.131 367 A HN 2.155 nan 8.150 nan 0.000 0.493 368 A N 1.448 124.290 122.820 0.037 0.000 2.320 368 A HA 0.619 4.939 4.320 -0.000 0.000 0.287 368 A C 0.754 178.356 177.584 0.030 0.000 1.181 368 A CA 0.168 52.229 52.037 0.040 0.000 0.831 368 A CB -0.154 18.871 19.000 0.041 0.000 1.102 368 A HN 2.067 nan 8.150 nan 0.000 0.513 369 A N 4.557 127.396 122.820 0.031 0.000 2.466 369 A HA 0.534 4.854 4.320 -0.000 0.000 0.238 369 A C -1.783 175.810 177.584 0.015 0.000 1.074 369 A CA -0.942 51.108 52.037 0.022 0.000 0.774 369 A CB -0.500 18.514 19.000 0.024 0.000 1.015 369 A HN 0.736 nan 8.150 nan 0.000 0.498 370 P HA 0.228 nan 4.420 nan 0.000 0.266 370 P C -0.103 177.194 177.300 -0.005 0.000 1.195 370 P CA 0.278 63.379 63.100 0.002 0.000 0.768 370 P CB 0.498 32.198 31.700 -0.000 0.000 0.838 371 A N 3.765 126.578 122.820 -0.011 0.000 2.546 371 A HA 0.073 4.393 4.320 -0.000 0.000 0.243 371 A C 0.859 178.423 177.584 -0.034 0.000 1.063 371 A CA -0.193 51.827 52.037 -0.028 0.000 0.757 371 A CB -0.428 18.554 19.000 -0.031 0.000 0.991 371 A HN 0.640 nan 8.150 nan 0.000 0.503 372 Q N 2.277 122.046 119.800 -0.051 0.000 2.288 372 Q HA 0.465 4.805 4.340 -0.000 0.000 0.254 372 Q C -2.634 173.335 176.000 -0.051 0.000 0.932 372 Q CA -1.773 54.002 55.803 -0.047 0.000 0.902 372 Q CB 0.094 28.801 28.738 -0.052 0.000 1.203 372 Q HN 0.417 nan 8.270 nan 0.000 0.415 373 P HA 0.044 nan 4.420 nan 0.000 0.271 373 P C -1.067 176.230 177.300 -0.006 0.000 1.220 373 P CA -0.177 62.913 63.100 -0.017 0.000 0.768 373 P CB 0.908 32.599 31.700 -0.015 0.000 0.848 374 V N 1.368 121.296 119.914 0.023 0.000 3.049 374 V HA 0.803 4.922 4.120 -0.000 0.000 0.309 374 V C -1.075 175.100 176.094 0.136 0.000 1.148 374 V CA -1.074 61.276 62.300 0.084 0.000 0.990 374 V CB 2.289 34.175 31.823 0.106 0.000 1.039 374 V HN 0.350 nan 8.190 nan 0.000 0.430 375 V N 3.995 124.007 119.914 0.163 0.000 2.733 375 V HA 0.942 5.061 4.120 -0.000 0.000 0.306 375 V C -1.114 175.104 176.094 0.206 0.000 1.084 375 V CA 0.161 62.533 62.300 0.120 0.000 0.905 375 V CB 2.004 33.839 31.823 0.020 0.000 1.010 375 V HN 1.630 nan 8.190 nan 0.000 0.424 376 H N 3.889 123.023 119.070 0.108 0.000 3.046 376 H HA 0.679 5.235 4.556 -0.000 0.000 0.361 376 H C -1.417 173.949 175.328 0.063 0.000 1.235 376 H CA -1.099 54.995 56.048 0.076 0.000 1.146 376 H CB 1.529 31.342 29.762 0.086 0.000 1.859 376 H HN 0.551 nan 8.280 nan 0.000 0.548 377 I N 2.699 123.310 120.570 0.068 0.000 2.291 377 I HA 0.307 4.476 4.170 -0.000 0.000 0.290 377 I C 1.062 177.176 176.117 -0.006 0.000 1.050 377 I CA -0.413 60.869 61.300 -0.029 0.000 1.245 377 I CB 1.396 39.363 38.000 -0.056 0.000 1.405 377 I HN 0.948 nan 8.210 nan 0.000 0.478 378 A N 4.854 127.621 122.820 -0.088 0.000 2.015 378 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 378 A C 0.895 178.351 177.584 -0.213 0.000 1.163 378 A CA 1.164 53.135 52.037 -0.110 0.000 0.646 378 A CB -0.118 18.720 19.000 -0.271 0.000 0.806 378 A HN 0.712 nan 8.150 nan 0.000 0.448 379 S N -1.198 114.354 115.700 -0.248 0.000 2.592 379 S HA 0.536 5.006 4.470 -0.000 0.000 0.275 379 S C -3.487 171.038 174.600 -0.125 0.000 1.169 379 S CA -1.329 56.756 58.200 -0.191 0.000 0.958 379 S CB 2.187 65.228 63.200 -0.266 0.000 1.095 379 S HN 0.077 nan 8.310 nan 0.000 0.471 380 P HA 0.426 nan 4.420 nan 0.000 0.280 380 P C -0.074 177.198 177.300 -0.045 0.000 1.244 380 P CA -0.077 63.011 63.100 -0.019 0.000 0.784 380 P CB 0.967 32.715 31.700 0.079 0.000 0.913 381 A N 3.317 126.110 122.820 -0.044 0.000 2.445 381 A HA 0.090 4.410 4.320 -0.000 0.000 0.242 381 A C 0.610 178.181 177.584 -0.022 0.000 1.075 381 A CA -0.328 51.691 52.037 -0.031 0.000 0.777 381 A CB -0.244 18.739 19.000 -0.028 0.000 1.013 381 A HN 0.663 nan 8.150 nan 0.000 0.493 382 D N 0.836 121.227 120.400 -0.015 0.000 2.525 382 D HA 0.230 4.870 4.640 -0.000 0.000 0.235 382 D C 1.344 177.637 176.300 -0.012 0.000 1.137 382 D CA 1.855 55.846 54.000 -0.015 0.000 0.868 382 D CB 0.385 41.182 40.800 -0.006 0.000 1.180 382 D HN 1.200 nan 8.370 nan 0.000 0.465 383 G N 2.325 111.109 108.800 -0.026 0.000 2.234 383 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 383 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 383 G C 0.467 175.350 174.900 -0.028 0.000 0.987 383 G CA 0.570 45.655 45.100 -0.025 0.000 0.625 383 G HN 0.920 nan 8.290 nan 0.000 0.532 384 A N 0.055 122.860 122.820 -0.026 0.000 2.366 384 A HA 0.680 4.999 4.320 -0.000 0.000 0.249 384 A C 0.767 178.330 177.584 -0.035 0.000 1.084 384 A CA 0.635 52.660 52.037 -0.019 0.000 0.794 384 A CB 0.325 19.318 19.000 -0.012 0.000 1.034 384 A HN 0.910 nan 8.150 nan 0.000 0.491 385 R N 1.512 121.997 120.500 -0.025 0.000 2.229 385 R HA 0.497 4.836 4.340 -0.000 0.000 0.328 385 R C -1.669 174.618 176.300 -0.022 0.000 1.009 385 R CA -0.317 55.763 56.100 -0.032 0.000 0.864 385 R CB 0.669 30.957 30.300 -0.021 0.000 1.085 385 R HN 0.428 nan 8.270 nan 0.000 0.453 386 V N 4.698 124.599 119.914 -0.022 0.000 2.370 386 V HA 0.422 4.542 4.120 -0.000 0.000 0.279 386 V C 0.543 176.601 176.094 -0.060 0.000 1.029 386 V CA -0.598 61.689 62.300 -0.023 0.000 0.870 386 V CB 1.035 32.877 31.823 0.032 0.000 0.984 386 V HN 0.972 nan 8.190 nan 0.000 0.451 387 A N 3.855 126.629 122.820 -0.077 0.000 2.272 387 A HA 0.490 4.810 4.320 -0.000 0.000 0.275 387 A C 1.548 179.049 177.584 -0.137 0.000 1.096 387 A CA 0.293 52.281 52.037 -0.083 0.000 0.822 387 A CB 0.445 19.405 19.000 -0.067 0.000 1.088 387 A HN 1.123 nan 8.150 nan 0.000 0.495 388 S N 0.337 115.967 115.700 -0.118 0.000 2.419 388 S HA 0.127 4.596 4.470 -0.000 0.000 0.233 388 S C 1.151 175.644 174.600 -0.179 0.000 1.016 388 S CA 0.694 58.806 58.200 -0.147 0.000 0.974 388 S CB -0.964 62.178 63.200 -0.096 0.000 0.786 388 S HN 1.623 nan 8.310 nan 0.000 0.492 389 A N 2.985 125.719 122.820 -0.143 0.000 2.521 389 A HA 0.412 4.732 4.320 -0.000 0.000 0.237 389 A C -2.329 175.148 177.584 -0.178 0.000 1.087 389 A CA -0.901 51.056 52.037 -0.132 0.000 0.777 389 A CB -0.728 18.217 19.000 -0.093 0.000 1.035 389 A HN 0.338 nan 8.150 nan 0.000 0.510 390 P HA 0.321 nan 4.420 nan 0.000 0.271 390 P C -0.366 176.871 177.300 -0.104 0.000 1.220 390 P CA 0.351 63.371 63.100 -0.133 0.000 0.768 390 P CB 1.010 32.661 31.700 -0.081 0.000 0.848 391 T N 0.693 115.193 114.554 -0.091 0.000 2.804 391 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 391 T C -0.665 174.074 174.700 0.066 0.000 1.099 391 T CA -0.667 61.424 62.100 -0.016 0.000 1.011 391 T CB 1.327 70.203 68.868 0.013 0.000 1.291 391 T HN 0.115 nan 8.240 nan 0.000 0.523 392 T N 1.277 115.862 114.554 0.052 0.000 2.824 392 T HA 0.578 4.927 4.350 -0.000 0.000 0.282 392 T C -0.551 174.163 174.700 0.022 0.000 0.993 392 T CA -0.552 61.575 62.100 0.044 0.000 0.967 392 T CB 1.416 70.267 68.868 -0.029 0.000 0.960 392 T HN 0.428 nan 8.240 nan 0.000 0.441 393 V N 5.101 125.038 119.914 0.038 0.000 2.383 393 V HA 0.474 4.594 4.120 -0.000 0.000 0.275 393 V C 0.225 176.259 176.094 -0.100 0.000 1.036 393 V CA -0.703 61.564 62.300 -0.055 0.000 0.889 393 V CB 0.616 32.367 31.823 -0.119 0.000 0.985 393 V HN 0.762 nan 8.190 nan 0.000 0.459 394 R N 4.095 124.466 120.500 -0.214 0.000 2.534 394 R HA 0.830 5.170 4.340 -0.000 0.000 0.301 394 R C -1.688 174.494 176.300 -0.197 0.000 0.961 394 R CA -0.754 55.191 56.100 -0.257 0.000 0.871 394 R CB 1.875 31.735 30.300 -0.732 0.000 1.170 394 R HN 0.365 nan 8.270 nan 0.000 0.446 395 V N 2.852 122.792 119.914 0.043 0.000 2.555 395 V HA 0.464 4.583 4.120 -0.000 0.000 0.302 395 V C -0.035 176.212 176.094 0.254 0.000 1.038 395 V CA -0.960 61.381 62.300 0.067 0.000 0.887 395 V CB 1.908 33.757 31.823 0.043 0.000 0.991 395 V HN 0.600 nan 8.190 nan 0.000 0.434 396 R N 2.731 123.268 120.500 0.061 0.000 2.393 396 R HA 0.705 5.045 4.340 -0.000 0.000 0.310 396 R C -1.606 174.716 176.300 0.037 0.000 0.968 396 R CA -0.405 55.763 56.100 0.113 0.000 0.867 396 R CB 1.704 31.911 30.300 -0.155 0.000 1.124 396 R HN 0.524 nan 8.270 nan 0.000 0.450 397 V N 3.292 123.293 119.914 0.144 0.000 2.447 397 V HA 0.598 4.718 4.120 -0.000 0.000 0.292 397 V C 0.381 176.534 176.094 0.099 0.000 1.021 397 V CA -0.820 61.524 62.300 0.073 0.000 0.850 397 V CB 1.725 33.527 31.823 -0.035 0.000 1.005 397 V HN 0.874 nan 8.190 nan 0.000 0.426 398 G N 1.756 110.611 108.800 0.092 0.000 2.569 398 G HA2 0.629 4.589 3.960 -0.000 0.000 0.300 398 G HA3 0.629 4.589 3.960 -0.000 0.000 0.300 398 G C 0.663 175.575 174.900 0.021 0.000 1.269 398 G CA -0.133 45.007 45.100 0.065 0.000 0.959 398 G HN 1.574 nan 8.290 nan 0.000 0.478 399 G N -1.497 107.305 108.800 0.003 0.000 2.162 399 G HA2 0.063 4.022 3.960 -0.000 0.000 0.260 399 G HA3 0.063 4.022 3.960 -0.000 0.000 0.260 399 G C 0.400 175.292 174.900 -0.012 0.000 0.976 399 G CA 1.378 46.470 45.100 -0.013 0.000 0.655 399 G HN 1.836 nan 8.290 nan 0.000 0.533 400 T N -0.519 114.029 114.554 -0.009 0.000 2.893 400 T HA 0.430 4.779 4.350 -0.000 0.000 0.337 400 T C -1.861 172.830 174.700 -0.016 0.000 1.587 400 T CA -0.219 61.872 62.100 -0.015 0.000 1.066 400 T CB 1.334 70.190 68.868 -0.021 0.000 1.414 400 T HN 0.045 nan 8.240 nan 0.000 0.488 401 D N 2.481 122.871 120.400 -0.017 0.000 2.343 401 D HA 0.371 5.011 4.640 -0.000 0.000 0.255 401 D C 0.037 176.328 176.300 -0.016 0.000 1.187 401 D CA 0.179 54.172 54.000 -0.012 0.000 0.875 401 D CB 1.370 42.165 40.800 -0.008 0.000 1.136 401 D HN 0.295 nan 8.370 nan 0.000 0.469 402 V N 2.805 122.724 119.914 0.007 0.000 2.472 402 V HA 0.129 4.248 4.120 -0.000 0.000 0.290 402 V C 1.166 177.286 176.094 0.044 0.000 1.037 402 V CA -0.472 61.803 62.300 -0.041 0.000 0.908 402 V CB 1.896 33.641 31.823 -0.131 0.000 0.985 402 V HN 0.523 nan 8.190 nan 0.000 0.454 403 Q N 2.731 122.500 119.800 -0.051 0.000 2.394 403 Q HA 0.201 4.541 4.340 -0.000 0.000 0.218 403 Q C 0.510 176.511 176.000 0.000 0.000 0.907 403 Q CA 0.739 56.562 55.803 0.033 0.000 0.919 403 Q CB 0.895 29.635 28.738 0.004 0.000 1.051 403 Q HN 0.960 nan 8.270 nan 0.000 0.538 404 S N -1.435 114.100 115.700 -0.275 0.000 2.552 404 S HA 0.634 5.104 4.470 -0.000 0.000 0.272 404 S C -1.210 173.040 174.600 -0.582 0.000 1.150 404 S CA -0.897 57.091 58.200 -0.353 0.000 0.849 404 S CB 1.974 65.111 63.200 -0.106 0.000 1.113 404 S HN -0.032 nan 8.310 nan 0.000 0.458 405 V N 1.442 121.036 119.914 -0.533 0.000 2.686 405 V HA 0.781 4.901 4.120 -0.000 0.000 0.306 405 V C -0.491 175.511 176.094 -0.152 0.000 1.065 405 V CA -0.372 61.680 62.300 -0.413 0.000 0.894 405 V CB 2.014 33.498 31.823 -0.565 0.000 1.004 405 V HN 1.096 nan 8.190 nan 0.000 0.424 406 T N 3.153 117.631 114.554 -0.126 0.000 2.906 406 T HA 0.754 5.104 4.350 -0.000 0.000 0.295 406 T C -0.935 173.713 174.700 -0.086 0.000 1.061 406 T CA -0.535 61.520 62.100 -0.074 0.000 1.000 406 T CB 2.156 70.987 68.868 -0.062 0.000 1.103 406 T HN 0.395 nan 8.240 nan 0.000 0.486 407 V N 2.273 122.134 119.914 -0.088 0.000 2.709 407 V HA 0.493 4.612 4.120 -0.000 0.000 0.308 407 V C -0.660 175.356 176.094 -0.130 0.000 1.062 407 V CA -0.834 61.389 62.300 -0.128 0.000 0.901 407 V CB 2.055 33.768 31.823 -0.183 0.000 1.003 407 V HN 0.869 nan 8.190 nan 0.000 0.425 408 E N 2.888 123.013 120.200 -0.125 0.000 2.191 408 E HA 0.459 4.809 4.350 -0.000 0.000 0.263 408 E C -1.334 175.197 176.600 -0.115 0.000 0.881 408 E CA -0.657 55.685 56.400 -0.098 0.000 0.757 408 E CB 2.611 32.276 29.700 -0.057 0.000 1.147 408 E HN 0.436 nan 8.360 nan 0.000 0.414 409 V N 3.011 122.859 119.914 -0.111 0.000 2.322 409 V HA 0.329 4.448 4.120 -0.000 0.000 0.258 409 V C 0.403 176.506 176.094 0.014 0.000 1.074 409 V CA -0.298 61.956 62.300 -0.077 0.000 0.909 409 V CB 0.249 32.044 31.823 -0.047 0.000 1.090 409 V HN 0.718 nan 8.190 nan 0.000 0.486 410 A N 4.535 127.366 122.820 0.017 0.000 2.242 410 A HA 0.906 5.225 4.320 -0.000 0.000 0.304 410 A C -0.190 177.435 177.584 0.068 0.000 1.100 410 A CA -0.285 51.773 52.037 0.035 0.000 0.860 410 A CB 1.622 20.633 19.000 0.019 0.000 1.168 410 A HN 0.783 nan 8.150 nan 0.000 0.503 416 V N 0.189 120.134 119.914 0.052 0.000 3.444 416 V HA 0.136 4.255 4.120 -0.000 0.000 0.271 416 V C 0.614 176.761 176.094 0.088 0.000 1.188 416 V CA 1.615 63.958 62.300 0.071 0.000 1.168 416 V CB -0.369 31.511 31.823 0.096 0.000 0.810 416 V HN 0.888 nan 8.190 nan 0.000 0.500 417 D N -1.803 118.639 120.400 0.070 0.000 2.683 417 D HA 0.308 4.948 4.640 -0.000 0.000 0.246 417 D C -1.328 174.981 176.300 0.015 0.000 1.238 417 D CA -0.088 53.956 54.000 0.073 0.000 0.759 417 D CB 2.522 43.415 40.800 0.155 0.000 1.349 417 D HN 0.004 nan 8.370 nan 0.000 0.426 418 T N 1.670 116.233 114.554 0.014 0.000 3.143 418 T HA 0.486 4.836 4.350 -0.000 0.000 0.312 418 T C -0.601 174.096 174.700 -0.005 0.000 0.986 418 T CA -0.450 61.642 62.100 -0.014 0.000 1.024 418 T CB 0.702 69.568 68.868 -0.003 0.000 1.030 418 T HN 0.179 nan 8.240 nan 0.000 0.448 419 L N 2.395 123.597 121.223 -0.036 0.000 2.346 419 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 419 L C -0.506 176.365 176.870 0.002 0.000 1.007 419 L CA -0.957 53.877 54.840 -0.011 0.000 0.818 419 L CB 1.945 43.978 42.059 -0.043 0.000 1.284 419 L HN 0.510 nan 8.230 nan 0.000 0.424 420 D N 2.163 122.586 120.400 0.037 0.000 2.349 420 D HA 0.490 5.130 4.640 -0.000 0.000 0.232 420 D C -0.561 175.804 176.300 0.108 0.000 1.071 420 D CA -0.259 53.778 54.000 0.060 0.000 0.832 420 D CB 1.047 41.885 40.800 0.064 0.000 1.086 420 D HN 0.228 nan 8.370 nan 0.000 0.504 421 L N 1.663 122.979 121.223 0.154 0.000 2.439 421 L HA 0.781 5.121 4.340 -0.000 0.000 0.259 421 L C 0.238 177.357 176.870 0.415 0.000 1.129 421 L CA -1.008 53.989 54.840 0.262 0.000 0.803 421 L CB 1.065 43.312 42.059 0.312 0.000 1.161 421 L HN 0.370 nan 8.230 nan 0.000 0.462 422 A N 0.491 123.514 122.820 0.338 0.000 2.422 422 A HA 0.457 4.776 4.320 -0.000 0.000 0.302 422 A C -1.343 176.145 177.584 -0.161 0.000 1.041 422 A CA -0.471 51.653 52.037 0.144 0.000 0.708 422 A CB 1.008 20.042 19.000 0.056 0.000 1.257 422 A HN 0.510 nan 8.150 nan 0.000 0.414 423 Y N 2.225 121.925 120.300 -0.999 0.000 2.620 423 Y HA 0.184 4.734 4.550 -0.001 0.000 0.330 423 Y C 1.050 176.676 175.900 -0.456 0.000 1.186 423 Y CA 0.338 57.752 58.100 -1.143 0.000 1.467 423 Y CB 0.793 38.389 38.460 -1.441 0.000 1.262 423 Y HN 0.823 nan 8.280 nan 0.000 0.550 424 D N 2.222 122.165 120.400 -0.761 0.000 2.349 424 D HA 0.108 4.748 4.640 -0.000 0.000 0.224 424 D C 1.511 177.370 176.300 -0.735 0.000 1.029 424 D CA 0.632 54.308 54.000 -0.539 0.000 0.879 424 D CB -0.258 40.405 40.800 -0.228 0.000 0.906 424 D HN 0.875 nan 8.370 nan 0.000 0.528 425 G N -0.891 106.964 108.800 -1.575 0.000 2.148 425 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.254 425 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.254 425 G C 0.787 175.339 174.900 -0.581 0.000 0.981 425 G CA 0.370 44.886 45.100 -0.973 0.000 0.670 425 G HN 0.959 nan 8.290 nan 0.000 0.528 426 A N -1.954 120.536 122.820 -0.550 0.000 1.757 426 A HA 0.742 5.062 4.320 -0.000 0.000 0.205 426 A C 1.541 179.093 177.584 -0.053 0.000 1.791 426 A CA 1.395 53.332 52.037 -0.165 0.000 1.282 426 A CB 0.112 19.015 19.000 -0.162 0.000 1.297 426 A HN 0.957 nan 8.150 nan 0.000 0.422 427 L N -2.421 118.702 121.223 -0.166 0.000 2.603 427 L HA 0.343 4.682 4.340 -0.000 0.000 0.189 427 L C -0.396 176.468 176.870 -0.011 0.000 1.082 427 L CA -0.105 54.611 54.840 -0.206 0.000 0.921 427 L CB 0.404 42.042 42.059 -0.703 0.000 1.694 427 L HN 0.437 nan 8.230 nan 0.000 0.491 428 W N -0.611 120.796 121.300 0.179 0.000 2.578 428 W HA 0.274 4.934 4.660 -0.001 0.000 0.364 428 W C -1.134 175.507 176.519 0.204 0.000 1.144 428 W CA -0.799 56.678 57.345 0.219 0.000 1.242 428 W CB 0.332 29.873 29.460 0.136 0.000 1.382 428 W HN -0.052 nan 8.180 nan 0.000 0.625 429 W N 1.663 123.206 121.300 0.404 0.000 2.376 429 W HA 0.414 5.074 4.660 -0.001 0.000 0.312 429 W C 0.489 177.104 176.519 0.160 0.000 1.060 429 W CA -0.062 57.443 57.345 0.266 0.000 1.221 429 W CB 1.416 30.985 29.460 0.183 0.000 1.281 429 W HN 0.072 nan 8.180 nan 0.000 0.456 430 T N 0.243 114.955 114.554 0.264 0.000 2.888 430 T HA 0.952 5.302 4.350 -0.000 0.000 0.288 430 T C -0.719 174.054 174.700 0.122 0.000 1.063 430 T CA -0.995 61.195 62.100 0.151 0.000 1.010 430 T CB 2.128 71.054 68.868 0.096 0.000 1.214 430 T HN 0.857 nan 8.240 nan 0.000 0.533 431 A N 1.042 123.911 122.820 0.083 0.000 2.573 431 A HA 0.692 5.012 4.320 -0.000 0.000 0.299 431 A C -3.368 174.273 177.584 0.096 0.000 1.060 431 A CA -1.295 50.793 52.037 0.084 0.000 0.736 431 A CB 0.571 19.622 19.000 0.085 0.000 1.280 431 A HN 0.668 nan 8.150 nan 0.000 0.401 432 P HA 0.423 nan 4.420 nan 0.000 0.272 432 P C -0.991 176.441 177.300 0.219 0.000 1.223 432 P CA 0.269 63.439 63.100 0.116 0.000 0.784 432 P CB 0.395 32.139 31.700 0.073 0.000 0.923 433 W N 2.570 123.860 121.300 -0.018 0.000 3.259 433 W HA 0.501 5.161 4.660 -0.001 0.000 0.331 433 W C -1.536 174.974 176.519 -0.017 0.000 1.144 433 W CA -0.525 56.811 57.345 -0.015 0.000 1.227 433 W CB 1.433 30.881 29.460 -0.020 0.000 1.371 433 W HN 0.133 nan 8.180 nan 0.000 0.491 434 S N 7.183 122.671 115.700 -0.353 0.000 2.601 434 S HA 0.581 5.051 4.470 -0.000 0.000 0.312 434 S C -2.078 172.112 174.600 -0.683 0.000 1.107 434 S CA -1.075 56.848 58.200 -0.462 0.000 1.129 434 S CB 0.359 63.446 63.200 -0.187 0.000 0.982 434 S HN 0.309 nan 8.310 nan 0.000 0.469 446 T N 1.876 116.529 114.554 0.165 0.000 2.771 446 T HA 0.674 5.024 4.350 -0.000 0.000 0.281 446 T C -1.100 173.591 174.700 -0.014 0.000 0.982 446 T CA -0.317 61.820 62.100 0.061 0.000 0.978 446 T CB 1.258 70.163 68.868 0.060 0.000 0.930 446 T HN -0.127 nan 8.240 nan 0.000 0.447 447 V N 4.967 124.842 119.914 -0.065 0.000 2.380 447 V HA 0.405 4.524 4.120 -0.000 0.000 0.286 447 V C 0.056 176.082 176.094 -0.113 0.000 1.015 447 V CA -0.757 61.453 62.300 -0.149 0.000 0.834 447 V CB 1.586 33.271 31.823 -0.229 0.000 1.009 447 V HN 0.930 nan 8.190 nan 0.000 0.428 448 T N 4.268 118.759 114.554 -0.104 0.000 2.797 448 T HA 0.748 5.097 4.350 -0.000 0.000 0.279 448 T C 0.082 174.726 174.700 -0.094 0.000 0.991 448 T CA -0.288 61.765 62.100 -0.078 0.000 0.979 448 T CB 1.717 70.553 68.868 -0.054 0.000 0.943 448 T HN 0.822 nan 8.240 nan 0.000 0.444 449 A N 2.786 125.556 122.820 -0.083 0.000 2.318 449 A HA 0.749 5.068 4.320 -0.000 0.000 0.324 449 A C 0.019 177.551 177.584 -0.087 0.000 1.170 449 A CA -0.690 51.292 52.037 -0.092 0.000 0.810 449 A CB 0.839 19.784 19.000 -0.091 0.000 1.198 449 A HN 0.696 nan 8.150 nan 0.000 0.484 450 T N 1.790 116.283 114.554 -0.102 0.000 2.809 450 T HA 0.640 4.990 4.350 -0.000 0.000 0.284 450 T C -0.338 174.270 174.700 -0.154 0.000 0.992 450 T CA -0.018 62.020 62.100 -0.104 0.000 0.957 450 T CB 1.403 70.222 68.868 -0.083 0.000 0.942 450 T HN 1.133 nan 8.240 nan 0.000 0.439 451 A N 2.790 125.508 122.820 -0.170 0.000 2.304 451 A HA 0.663 4.983 4.320 -0.000 0.000 0.314 451 A C 0.271 177.739 177.584 -0.193 0.000 1.187 451 A CA -0.725 51.160 52.037 -0.253 0.000 0.810 451 A CB 0.616 19.433 19.000 -0.305 0.000 1.183 451 A HN 0.654 nan 8.150 nan 0.000 0.487 452 T N 2.669 117.104 114.554 -0.197 0.000 2.723 452 T HA 0.461 4.811 4.350 -0.000 0.000 0.297 452 T C 0.274 174.896 174.700 -0.130 0.000 0.925 452 T CA 0.481 62.502 62.100 -0.131 0.000 1.030 452 T CB 0.307 69.113 68.868 -0.103 0.000 0.905 452 T HN 0.755 nan 8.240 nan 0.000 0.502 453 T N 1.166 115.662 114.554 -0.097 0.000 2.888 453 T HA 0.615 4.964 4.350 -0.000 0.000 0.288 453 T C 1.498 176.169 174.700 -0.047 0.000 1.063 453 T CA -0.137 61.917 62.100 -0.077 0.000 1.010 453 T CB 1.041 69.861 68.868 -0.080 0.000 1.214 453 T HN 0.411 nan 8.240 nan 0.000 0.533 454 A N 0.957 123.756 122.820 -0.035 0.000 1.978 454 A HA 0.195 4.515 4.320 -0.000 0.000 0.220 454 A C 2.104 179.674 177.584 -0.023 0.000 1.170 454 A CA 1.992 54.015 52.037 -0.024 0.000 0.636 454 A CB -1.006 17.983 19.000 -0.018 0.000 0.810 454 A HN 1.041 nan 8.150 nan 0.000 0.448 455 A N -1.506 121.298 122.820 -0.026 0.000 2.302 455 A HA 0.489 4.808 4.320 -0.000 0.000 0.219 455 A C 1.338 178.906 177.584 -0.025 0.000 1.243 455 A CA 1.185 53.209 52.037 -0.023 0.000 0.856 455 A CB -1.144 17.843 19.000 -0.022 0.000 0.893 455 A HN 2.054 nan 8.150 nan 0.000 0.491 456 G N -1.507 107.274 108.800 -0.031 0.000 2.472 456 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.205 456 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.205 456 G C -0.249 174.624 174.900 -0.044 0.000 1.270 456 G CA -0.327 44.753 45.100 -0.032 0.000 0.974 456 G HN 0.557 nan 8.290 nan 0.000 0.542 457 T N 1.705 116.234 114.554 -0.042 0.000 2.738 457 T HA 0.582 4.932 4.350 -0.000 0.000 0.298 457 T C 0.375 175.046 174.700 -0.048 0.000 0.962 457 T CA -0.026 62.043 62.100 -0.052 0.000 0.972 457 T CB 0.257 69.097 68.868 -0.046 0.000 0.928 457 T HN 0.574 nan 8.240 nan 0.000 0.474 458 L N 4.342 125.530 121.223 -0.059 0.000 2.317 458 L HA 0.708 5.047 4.340 -0.000 0.000 0.281 458 L C -0.152 176.686 176.870 -0.053 0.000 1.024 458 L CA -1.062 53.750 54.840 -0.046 0.000 0.810 458 L CB 1.439 43.472 42.059 -0.042 0.000 1.240 458 L HN 0.636 nan 8.230 nan 0.000 0.427 459 D N 1.251 121.630 120.400 -0.034 0.000 2.559 459 D HA 0.707 5.347 4.640 -0.000 0.000 0.250 459 D C -1.112 175.179 176.300 -0.015 0.000 1.135 459 D CA -0.762 53.217 54.000 -0.035 0.000 0.955 459 D CB 2.570 43.348 40.800 -0.037 0.000 1.442 459 D HN 0.303 nan 8.370 nan 0.000 0.471 460 V N -0.931 118.973 119.914 -0.017 0.000 3.077 460 V HA 0.704 4.823 4.120 -0.000 0.000 0.299 460 V C -1.701 174.385 176.094 -0.013 0.000 1.276 460 V CA -0.222 62.078 62.300 0.001 0.000 0.993 460 V CB 2.303 34.142 31.823 0.028 0.000 1.076 460 V HN 0.867 nan 8.190 nan 0.000 0.434 461 T N 4.907 119.458 114.554 -0.006 0.000 2.879 461 T HA 0.570 4.920 4.350 -0.000 0.000 0.290 461 T C -0.934 173.760 174.700 -0.011 0.000 0.993 461 T CA -0.446 61.644 62.100 -0.015 0.000 0.975 461 T CB 1.268 70.131 68.868 -0.009 0.000 0.981 461 T HN 0.708 nan 8.240 nan 0.000 0.439 462 N N 2.185 120.869 118.700 -0.026 0.000 2.362 462 N HA 0.373 5.113 4.740 -0.000 0.000 0.298 462 N C -0.693 174.801 175.510 -0.026 0.000 1.048 462 N CA -0.718 52.317 53.050 -0.025 0.000 0.858 462 N CB 1.848 40.312 38.487 -0.038 0.000 1.218 462 N HN 0.681 nan 8.380 nan 0.000 0.488 463 E N 1.619 121.807 120.200 -0.021 0.000 2.113 463 E HA 0.442 4.792 4.350 -0.000 0.000 0.273 463 E C -0.838 175.713 176.600 -0.082 0.000 0.924 463 E CA -0.765 55.618 56.400 -0.028 0.000 0.764 463 E CB 0.726 30.427 29.700 0.002 0.000 1.104 463 E HN 0.410 nan 8.360 nan 0.000 0.406 464 V N 1.058 120.892 119.914 -0.133 0.000 2.994 464 V HA 0.955 5.074 4.120 -0.000 0.000 0.318 464 V C -0.331 175.520 176.094 -0.404 0.000 1.085 464 V CA -0.782 61.417 62.300 -0.169 0.000 0.998 464 V CB 1.496 33.285 31.823 -0.056 0.000 1.063 464 V HN 0.703 nan 8.190 nan 0.000 0.447 465 A N 1.776 124.405 122.820 -0.318 0.000 2.337 465 A HA 0.964 5.283 4.320 -0.000 0.000 0.329 465 A C 0.195 177.664 177.584 -0.191 0.000 1.146 465 A CA -0.271 51.523 52.037 -0.405 0.000 0.800 465 A CB 1.168 20.037 19.000 -0.218 0.000 1.220 465 A HN 2.140 nan 8.150 nan 0.000 0.472 466 A N 0.709 123.462 122.820 -0.111 0.000 2.302 466 A HA 0.620 4.940 4.320 -0.000 0.000 0.285 466 A C 1.109 178.699 177.584 0.010 0.000 1.105 466 A CA 0.139 52.180 52.037 0.007 0.000 0.816 466 A CB 0.501 19.566 19.000 0.108 0.000 1.067 466 A HN 1.928 nan 8.150 nan 0.000 0.489 467 A N 0.562 123.380 122.820 -0.003 0.000 2.081 467 A HA 0.515 4.835 4.320 -0.000 0.000 0.214 467 A C 0.880 178.468 177.584 0.008 0.000 1.158 467 A CA 1.898 53.934 52.037 -0.003 0.000 0.724 467 A CB -0.896 18.094 19.000 -0.018 0.000 0.826 467 A HN 2.558 nan 8.150 nan 0.000 0.463 468 L N 0.000 121.230 121.223 0.012 0.000 2.949 468 L HA 0.000 4.340 4.340 -0.000 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