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 1w07_1_A DATA FIRST_RESID 2 DATA SEQUENCE EGIDHLADER NKAEFDVEDM KIVWAGSRHA FEVSDRIARL VASDPVFEKS DATA SEQUENCE NRARLSRKEL FKSTLRKCAH AFKRIIELRL NEEEAGRLRH FIDQPAYVDL DATA SEQUENCE HWGMFVPAIK GQGTEEQQKK WLSLANKMQI IGCYAQTELG HGSNVQGLET DATA SEQUENCE TATLDPKTDE FVIHTPTQTA SKWWPGGLGK VSTHAVVYAR LITNGKDYGI DATA SEQUENCE HGFIVQLRSL EDHSPLPNIT VGDIGTKMGN GAYNSMDNGF LMFDHVRIPR DATA SEQUENCE DQMLMRLSKV TREGEYVPSD VPKQLVYGTM VYVRQTIVAD ASNALSRAVC DATA SEQUENCE IATRYSAVRR QFGAXXXGIE TQVIDYKTQQ NRLFPLLASA YAFRFVGEWL DATA SEQUENCE KWLYTDVTER LAASDFATLP EAHACTAGLK SLTTTATADG IEECRKLCGG DATA SEQUENCE HGYLWCSGLP ELFAVYVPAC TYEGDNVVLQ LQVARFLMKT VAQLGSGKVP DATA SEQUENCE VGTTAYMGRA AHLLQcRSGV QKAEDWLNPD VVLEAFEARA LRMAVTCAKN DATA SEQUENCE LSKFENQEQG FQELLADLVE AAIAHCQLIV VSKFIAKLEQ DIGGKGVKKQ DATA SEQUENCE LNNLCYIYAL YLLHKHLGDF LSTNcITPKQ ASLANDQLRS LYTQVRPNAV DATA SEQUENCE ALVDAFNYTD HYLNSVLGRY DGNVYPKLFE EALKDPLNDS VVPDGYQEYL DATA SEQUENCE RPVLQQQL 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.590 176.600 -0.016 0.000 1.382 2 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 2 E CB 0.000 29.702 29.700 0.004 0.000 0.812 3 G N 1.589 110.369 108.800 -0.035 0.000 2.176 3 G HA2 -0.202 3.759 3.960 0.001 0.000 0.253 3 G HA3 -0.202 3.759 3.960 0.001 0.000 0.253 3 G C 0.217 175.078 174.900 -0.064 0.000 0.979 3 G CA 0.259 45.339 45.100 -0.033 0.000 0.641 3 G HN 0.268 nan 8.290 nan 0.000 0.530 4 I N 1.742 122.238 120.570 -0.123 0.000 2.683 4 I HA 0.147 4.317 4.170 0.001 0.000 0.286 4 I C 0.501 176.447 176.117 -0.284 0.000 1.175 4 I CA -0.517 60.691 61.300 -0.154 0.000 1.429 4 I CB 0.734 38.663 38.000 -0.118 0.000 1.371 4 I HN 0.183 nan 8.210 nan 0.000 0.569 5 D N 6.329 126.665 120.400 -0.106 0.000 2.374 5 D HA 0.027 4.668 4.640 0.001 0.000 0.240 5 D C 0.918 177.196 176.300 -0.036 0.000 1.229 5 D CA -0.019 53.937 54.000 -0.072 0.000 0.895 5 D CB 0.306 41.132 40.800 0.043 0.000 1.046 5 D HN 0.269 nan 8.370 nan 0.000 0.498 6 H N 3.491 122.545 119.070 -0.026 0.000 2.543 6 H HA 0.124 4.681 4.556 0.001 0.000 0.269 6 H C 0.929 176.214 175.328 -0.071 0.000 1.005 6 H CA 0.255 56.279 56.048 -0.040 0.000 1.146 6 H CB 0.298 30.042 29.762 -0.031 0.000 1.353 6 H HN 0.473 nan 8.280 nan 0.000 0.595 7 L N -0.470 120.747 121.223 -0.010 0.000 2.857 7 L HA 0.284 4.624 4.340 0.001 0.000 0.249 7 L C 2.065 178.879 176.870 -0.093 0.000 1.172 7 L CA 0.005 54.796 54.840 -0.082 0.000 0.980 7 L CB 0.245 42.202 42.059 -0.170 0.000 1.299 7 L HN 0.111 nan 8.230 nan 0.000 0.535 8 A N 0.946 123.736 122.820 -0.049 0.000 1.940 8 A HA -0.236 4.085 4.320 0.001 0.000 0.219 8 A C 1.969 179.526 177.584 -0.044 0.000 1.176 8 A CA 2.022 54.034 52.037 -0.041 0.000 0.631 8 A CB -0.320 18.679 19.000 -0.001 0.000 0.814 8 A HN 0.602 nan 8.150 nan 0.000 0.446 9 D N -0.656 119.724 120.400 -0.034 0.000 2.219 9 D HA -0.159 4.482 4.640 0.001 0.000 0.205 9 D C 1.368 177.636 176.300 -0.053 0.000 0.970 9 D CA 1.078 55.055 54.000 -0.038 0.000 0.851 9 D CB -0.379 40.402 40.800 -0.030 0.000 0.943 9 D HN 0.411 nan 8.370 nan 0.000 0.488 10 E N 1.093 121.254 120.200 -0.064 0.000 2.051 10 E HA -0.033 4.318 4.350 0.001 0.000 0.189 10 E C 2.349 178.894 176.600 -0.091 0.000 0.979 10 E CA 0.387 56.743 56.400 -0.072 0.000 0.803 10 E CB -0.146 29.507 29.700 -0.079 0.000 0.761 10 E HN 0.407 nan 8.360 nan 0.000 0.451 11 R N 0.889 121.324 120.500 -0.108 0.000 2.120 11 R HA -0.038 4.303 4.340 0.001 0.000 0.234 11 R C 2.088 178.310 176.300 -0.130 0.000 1.123 11 R CA 0.863 56.885 56.100 -0.131 0.000 0.975 11 R CB -0.354 29.870 30.300 -0.127 0.000 0.866 11 R HN 0.209 nan 8.270 nan 0.000 0.446 12 N N 1.343 119.985 118.700 -0.096 0.000 2.453 12 N HA -0.119 4.622 4.740 0.001 0.000 0.183 12 N C 0.929 176.385 175.510 -0.091 0.000 1.041 12 N CA 0.640 53.639 53.050 -0.086 0.000 0.900 12 N CB 0.207 38.659 38.487 -0.058 0.000 0.961 12 N HN 0.237 nan 8.380 nan 0.000 0.443 13 K N 0.516 120.862 120.400 -0.090 0.000 2.366 13 K HA 0.091 4.412 4.320 0.001 0.000 0.198 13 K C 0.638 177.178 176.600 -0.100 0.000 1.044 13 K CA -0.064 56.178 56.287 -0.075 0.000 0.973 13 K CB 0.147 32.614 32.500 -0.055 0.000 0.767 13 K HN 0.115 nan 8.250 nan 0.000 0.475 14 A N 2.264 124.979 122.820 -0.176 0.000 2.567 14 A HA -0.102 4.219 4.320 0.001 0.000 0.240 14 A C 0.093 177.543 177.584 -0.224 0.000 1.053 14 A CA 0.381 52.237 52.037 -0.301 0.000 0.755 14 A CB -0.035 18.597 19.000 -0.614 0.000 0.978 14 A HN 0.300 nan 8.150 nan 0.000 0.507 15 E N 0.889 121.044 120.200 -0.076 0.000 2.423 15 E HA 0.345 4.695 4.350 0.001 0.000 0.198 15 E C -0.851 175.828 176.600 0.131 0.000 1.038 15 E CA 0.017 56.434 56.400 0.029 0.000 1.011 15 E CB -0.107 29.641 29.700 0.080 0.000 1.118 15 E HN 0.660 nan 8.360 nan 0.000 0.451 16 F N -2.521 117.408 119.950 -0.036 0.000 2.693 16 F HA 0.378 4.905 4.527 0.001 0.000 0.309 16 F C -1.288 174.494 175.800 -0.030 0.000 1.129 16 F CA -1.641 56.340 58.000 -0.030 0.000 0.948 16 F CB 1.007 39.987 39.000 -0.033 0.000 1.315 16 F HN -0.351 nan 8.300 nan 0.000 0.447 17 D N 2.089 122.522 120.400 0.054 0.000 2.336 17 D HA 0.095 4.735 4.640 0.001 0.000 0.249 17 D C 1.053 177.390 176.300 0.061 0.000 1.213 17 D CA 0.288 54.267 54.000 -0.036 0.000 0.870 17 D CB 1.844 42.657 40.800 0.022 0.000 1.076 17 D HN 0.645 nan 8.370 nan 0.000 0.483 18 V N 5.165 124.997 119.914 -0.138 0.000 2.453 18 V HA -0.227 3.894 4.120 0.001 0.000 0.252 18 V C 1.813 177.957 176.094 0.082 0.000 1.068 18 V CA 1.792 64.120 62.300 0.047 0.000 1.070 18 V CB -0.122 31.659 31.823 -0.069 0.000 0.664 18 V HN 0.504 nan 8.190 nan 0.000 0.461 19 E N 0.030 120.233 120.200 0.006 0.000 2.118 19 E HA -0.207 4.144 4.350 0.001 0.000 0.195 19 E C 1.963 178.516 176.600 -0.078 0.000 0.992 19 E CA 1.664 58.028 56.400 -0.060 0.000 0.804 19 E CB -0.466 29.202 29.700 -0.054 0.000 0.741 19 E HN 0.719 nan 8.360 nan 0.000 0.458 20 D N 0.091 120.503 120.400 0.020 0.000 2.149 20 D HA -0.112 4.529 4.640 0.001 0.000 0.201 20 D C 1.904 178.239 176.300 0.058 0.000 0.972 20 D CA 0.687 54.705 54.000 0.030 0.000 0.835 20 D CB -0.179 40.666 40.800 0.075 0.000 0.966 20 D HN 0.105 nan 8.370 nan 0.000 0.476 21 M N 0.973 120.656 119.600 0.138 0.000 2.296 21 M HA -0.060 4.421 4.480 0.001 0.000 0.265 21 M C 1.634 178.030 176.300 0.160 0.000 1.064 21 M CA 1.267 56.660 55.300 0.155 0.000 1.109 21 M CB 0.020 32.727 32.600 0.178 0.000 1.396 21 M HN -0.211 nan 8.290 nan 0.000 0.430 22 K N -0.357 120.069 120.400 0.043 0.000 2.097 22 K HA -0.103 4.218 4.320 0.001 0.000 0.206 22 K C 1.690 178.275 176.600 -0.025 0.000 1.049 22 K CA 1.113 57.391 56.287 -0.015 0.000 0.933 22 K CB -0.218 32.090 32.500 -0.319 0.000 0.717 22 K HN 0.310 nan 8.250 nan 0.000 0.442 23 I N 0.691 121.184 120.570 -0.128 0.000 2.252 23 I HA -0.192 3.979 4.170 0.001 0.000 0.245 23 I C 2.300 178.481 176.117 0.108 0.000 1.102 23 I CA 1.130 62.407 61.300 -0.040 0.000 1.385 23 I CB -1.043 36.922 38.000 -0.059 0.000 1.064 23 I HN -0.089 nan 8.210 nan 0.000 0.414 24 V N 0.562 120.568 119.914 0.153 0.000 2.287 24 V HA -0.303 3.818 4.120 0.001 0.000 0.248 24 V C 2.350 178.622 176.094 0.297 0.000 1.053 24 V CA 1.958 64.398 62.300 0.233 0.000 1.027 24 V CB -0.729 31.268 31.823 0.290 0.000 0.646 24 V HN 0.573 nan 8.190 nan 0.000 0.447 25 W N 0.880 122.257 121.300 0.129 0.000 2.355 25 W HA -0.219 4.442 4.660 0.001 0.000 0.309 25 W C 2.448 179.002 176.519 0.059 0.000 1.206 25 W CA 2.015 59.388 57.345 0.047 0.000 1.284 25 W CB -0.204 29.280 29.460 0.040 0.000 1.145 25 W HN 0.305 nan 8.180 nan 0.000 0.502 26 A N 0.334 123.279 122.820 0.208 0.000 1.972 26 A HA 0.059 4.379 4.320 0.001 0.000 0.219 26 A C 2.001 179.598 177.584 0.021 0.000 1.169 26 A CA 2.910 55.028 52.037 0.135 0.000 0.635 26 A CB -1.151 18.059 19.000 0.350 0.000 0.810 26 A HN 0.767 nan 8.150 nan 0.000 0.446 27 G N -2.152 106.681 108.800 0.056 0.000 2.284 27 G HA2 -0.076 3.885 3.960 0.001 0.000 0.216 27 G HA3 -0.076 3.885 3.960 0.001 0.000 0.216 27 G C 0.398 175.346 174.900 0.080 0.000 1.009 27 G CA 0.632 45.760 45.100 0.047 0.000 0.625 27 G HN 2.109 nan 8.290 nan 0.000 0.501 28 S N -1.722 114.042 115.700 0.107 0.000 2.615 28 S HA 0.654 5.124 4.470 0.001 0.000 0.268 28 S C 0.308 175.005 174.600 0.161 0.000 1.146 28 S CA 0.428 58.700 58.200 0.120 0.000 0.818 28 S CB 1.540 64.816 63.200 0.126 0.000 1.111 28 S HN 0.605 nan 8.310 nan 0.000 0.465 29 R N -0.082 120.512 120.500 0.155 0.000 2.092 29 R HA -0.091 4.250 4.340 0.001 0.000 0.231 29 R C 2.128 178.569 176.300 0.236 0.000 1.119 29 R CA 2.006 58.219 56.100 0.189 0.000 0.970 29 R CB -0.745 29.638 30.300 0.139 0.000 0.864 29 R HN 0.874 nan 8.270 nan 0.000 0.440 30 H N 0.099 119.238 119.070 0.114 0.000 2.321 30 H HA 0.005 4.561 4.556 0.001 0.000 0.300 30 H C 1.703 177.085 175.328 0.090 0.000 1.087 30 H CA 2.135 58.236 56.048 0.088 0.000 1.319 30 H CB -0.219 29.576 29.762 0.056 0.000 1.379 30 H HN 0.324 nan 8.280 nan 0.000 0.501 31 A N -0.022 122.813 122.820 0.025 0.000 1.902 31 A HA -0.148 4.173 4.320 0.001 0.000 0.217 31 A C 2.377 179.967 177.584 0.009 0.000 1.181 31 A CA 1.499 53.516 52.037 -0.032 0.000 0.623 31 A CB -1.240 17.790 19.000 0.050 0.000 0.818 31 A HN 0.574 nan 8.150 nan 0.000 0.443 32 F N 0.997 120.941 119.950 -0.011 0.000 2.113 32 F HA -0.127 4.401 4.527 0.001 0.000 0.297 32 F C 2.192 177.989 175.800 -0.006 0.000 1.103 32 F CA 2.147 60.161 58.000 0.024 0.000 1.248 32 F CB -0.343 38.691 39.000 0.055 0.000 0.999 32 F HN 0.364 nan 8.300 nan 0.000 0.475 33 E N -0.182 119.992 120.200 -0.044 0.000 2.077 33 E HA -0.181 4.170 4.350 0.001 0.000 0.193 33 E C 2.319 178.786 176.600 -0.221 0.000 0.989 33 E CA 1.620 57.936 56.400 -0.140 0.000 0.800 33 E CB -0.424 29.291 29.700 0.027 0.000 0.746 33 E HN 0.313 nan 8.360 nan 0.000 0.452 34 V N 0.897 120.668 119.914 -0.239 0.000 2.295 34 V HA -0.259 3.862 4.120 0.001 0.000 0.246 34 V C 2.450 178.457 176.094 -0.145 0.000 1.049 34 V CA 1.948 64.121 62.300 -0.212 0.000 1.024 34 V CB -0.502 31.140 31.823 -0.301 0.000 0.648 34 V HN 0.263 nan 8.190 nan 0.000 0.447 35 S N -0.111 115.512 115.700 -0.127 0.000 2.368 35 S HA -0.275 4.196 4.470 0.001 0.000 0.225 35 S C 1.886 176.383 174.600 -0.172 0.000 1.030 35 S CA 2.116 60.326 58.200 0.017 0.000 0.999 35 S CB -0.469 62.788 63.200 0.094 0.000 0.844 35 S HN 0.747 nan 8.310 nan 0.000 0.459 36 D N 0.301 120.467 120.400 -0.389 0.000 2.144 36 D HA -0.105 4.535 4.640 0.001 0.000 0.199 36 D C 2.312 178.405 176.300 -0.345 0.000 0.984 36 D CA 1.090 54.804 54.000 -0.477 0.000 0.834 36 D CB -0.133 40.209 40.800 -0.763 0.000 0.955 36 D HN 0.307 nan 8.370 nan 0.000 0.465 37 R N -0.114 120.229 120.500 -0.261 0.000 2.057 37 R HA -0.066 4.275 4.340 0.001 0.000 0.229 37 R C 2.171 178.368 176.300 -0.172 0.000 1.136 37 R CA 0.980 56.972 56.100 -0.179 0.000 0.952 37 R CB -0.176 30.051 30.300 -0.123 0.000 0.848 37 R HN 0.262 nan 8.270 nan 0.000 0.430 38 I N 1.028 121.510 120.570 -0.147 0.000 2.286 38 I HA -0.199 3.971 4.170 0.001 0.000 0.248 38 I C 2.523 178.488 176.117 -0.254 0.000 1.115 38 I CA 1.293 62.534 61.300 -0.098 0.000 1.392 38 I CB -1.541 36.484 38.000 0.042 0.000 1.065 38 I HN 0.207 nan 8.210 nan 0.000 0.418 39 A N 1.243 123.696 122.820 -0.611 0.000 1.883 39 A HA -0.218 4.102 4.320 0.001 0.000 0.217 39 A C 2.495 179.767 177.584 -0.520 0.000 1.186 39 A CA 1.569 52.941 52.037 -1.109 0.000 0.624 39 A CB -0.615 17.528 19.000 -1.428 0.000 0.822 39 A HN 0.339 nan 8.150 nan 0.000 0.444 40 R N -1.200 119.089 120.500 -0.353 0.000 2.096 40 R HA -0.086 4.255 4.340 0.001 0.000 0.235 40 R C 2.098 178.303 176.300 -0.158 0.000 1.127 40 R CA 1.294 57.264 56.100 -0.217 0.000 0.968 40 R CB -0.569 29.631 30.300 -0.167 0.000 0.861 40 R HN 0.474 nan 8.270 nan 0.000 0.440 41 L N 0.649 121.790 121.223 -0.136 0.000 2.012 41 L HA -0.179 4.162 4.340 0.001 0.000 0.210 41 L C 2.101 178.967 176.870 -0.007 0.000 1.073 41 L CA 1.622 56.429 54.840 -0.054 0.000 0.748 41 L CB -0.284 41.759 42.059 -0.028 0.000 0.891 41 L HN -0.075 nan 8.230 nan 0.000 0.431 42 V N -0.205 119.680 119.914 -0.048 0.000 2.307 42 V HA -0.270 3.850 4.120 0.001 0.000 0.245 42 V C 2.750 178.758 176.094 -0.142 0.000 1.045 42 V CA 1.596 63.908 62.300 0.020 0.000 1.024 42 V CB -1.372 30.383 31.823 -0.114 0.000 0.651 42 V HN 0.591 nan 8.190 nan 0.000 0.449 43 A N 0.801 123.412 122.820 -0.348 0.000 1.978 43 A HA -0.192 4.129 4.320 0.001 0.000 0.220 43 A C 2.376 179.820 177.584 -0.233 0.000 1.170 43 A CA 2.142 53.857 52.037 -0.538 0.000 0.636 43 A CB -0.643 18.205 19.000 -0.252 0.000 0.810 43 A HN 0.704 nan 8.150 nan 0.000 0.448 44 S N -1.049 114.583 115.700 -0.113 0.000 2.603 44 S HA 0.047 4.517 4.470 0.001 0.000 0.220 44 S C 0.210 174.796 174.600 -0.024 0.000 0.967 44 S CA 0.226 58.397 58.200 -0.048 0.000 0.920 44 S CB -0.153 63.023 63.200 -0.039 0.000 0.773 44 S HN 0.424 nan 8.310 nan 0.000 0.529 45 D N 2.174 122.570 120.400 -0.006 0.000 2.329 45 D HA 0.371 5.012 4.640 0.001 0.000 0.232 45 D C -1.959 174.291 176.300 -0.083 0.000 1.088 45 D CA -2.288 51.688 54.000 -0.040 0.000 0.835 45 D CB 1.979 42.768 40.800 -0.018 0.000 1.078 45 D HN -0.053 nan 8.370 nan 0.000 0.495 46 P HA -0.155 nan 4.420 nan 0.000 0.216 46 P C 1.557 178.772 177.300 -0.142 0.000 1.150 46 P CA 0.583 63.633 63.100 -0.084 0.000 0.843 46 P CB 0.419 32.063 31.700 -0.093 0.000 0.787 47 V N -1.630 118.066 119.914 -0.363 0.000 2.568 47 V HA -0.198 3.923 4.120 0.001 0.000 0.253 47 V C 1.524 177.471 176.094 -0.245 0.000 1.072 47 V CA 1.533 63.551 62.300 -0.470 0.000 1.084 47 V CB -1.294 29.923 31.823 -1.011 0.000 0.676 47 V HN 0.025 nan 8.190 nan 0.000 0.469 48 F N 0.768 120.727 119.950 0.014 0.000 2.664 48 F HA 0.221 4.749 4.527 0.001 0.000 0.301 48 F C 1.245 177.187 175.800 0.237 0.000 1.126 48 F CA -1.382 56.678 58.000 0.101 0.000 1.373 48 F CB -1.048 38.004 39.000 0.087 0.000 1.042 48 F HN 0.383 nan 8.300 nan 0.000 0.535 49 E N 1.723 122.111 120.200 0.313 0.000 2.404 49 E HA 0.139 4.489 4.350 0.001 0.000 0.261 49 E C 0.384 177.078 176.600 0.157 0.000 1.074 49 E CA -0.313 56.248 56.400 0.268 0.000 0.917 49 E CB 0.453 30.238 29.700 0.142 0.000 0.965 49 E HN 0.462 nan 8.360 nan 0.000 0.433 50 K N 0.585 121.022 120.400 0.062 0.000 2.702 50 K HA 0.097 4.417 4.320 0.001 0.000 0.182 50 K C 0.375 177.062 176.600 0.145 0.000 1.167 50 K CA 0.072 56.406 56.287 0.078 0.000 1.128 50 K CB 0.383 32.917 32.500 0.058 0.000 0.838 50 K HN 0.451 nan 8.250 nan 0.000 0.491 51 S N 0.651 116.428 115.700 0.129 0.000 2.527 51 S HA -0.094 4.377 4.470 0.001 0.000 0.222 51 S C 1.014 175.770 174.600 0.261 0.000 0.985 51 S CA 0.635 58.990 58.200 0.260 0.000 0.921 51 S CB -0.782 62.500 63.200 0.136 0.000 0.772 51 S HN 0.650 nan 8.310 nan 0.000 0.529 52 N N 0.097 118.844 118.700 0.079 0.000 2.234 52 N HA 0.229 4.969 4.740 0.001 0.000 0.227 52 N C 1.395 176.810 175.510 -0.159 0.000 1.151 52 N CA -0.671 52.331 53.050 -0.080 0.000 0.865 52 N CB 0.023 38.485 38.487 -0.042 0.000 1.066 52 N HN 0.184 nan 8.380 nan 0.000 0.515 53 R N 0.713 121.161 120.500 -0.087 0.000 2.193 53 R HA -0.003 4.338 4.340 0.001 0.000 0.229 53 R C 1.126 177.280 176.300 -0.243 0.000 1.110 53 R CA 1.308 57.370 56.100 -0.063 0.000 0.988 53 R CB -0.029 30.348 30.300 0.129 0.000 0.871 53 R HN 0.378 nan 8.270 nan 0.000 0.458 54 A N 0.015 122.432 122.820 -0.671 0.000 2.379 54 A HA 0.172 4.492 4.320 0.001 0.000 0.236 54 A C 1.111 178.393 177.584 -0.503 0.000 1.272 54 A CA -0.233 51.336 52.037 -0.779 0.000 0.886 54 A CB 0.169 18.129 19.000 -1.732 0.000 0.962 54 A HN 0.229 nan 8.150 nan 0.000 0.504 55 R N -0.796 119.495 120.500 -0.350 0.000 2.508 55 R HA 0.387 4.727 4.340 0.001 0.000 0.300 55 R C -0.679 175.544 176.300 -0.129 0.000 0.970 55 R CA -0.006 55.965 56.100 -0.216 0.000 1.102 55 R CB 0.363 30.553 30.300 -0.183 0.000 1.246 55 R HN 0.357 nan 8.270 nan 0.000 0.539 56 L N 0.679 121.833 121.223 -0.115 0.000 2.330 56 L HA 0.384 4.725 4.340 0.001 0.000 0.271 56 L C 0.661 177.506 176.870 -0.042 0.000 1.013 56 L CA -0.841 53.963 54.840 -0.061 0.000 0.816 56 L CB 1.840 43.874 42.059 -0.040 0.000 1.287 56 L HN 0.015 nan 8.230 nan 0.000 0.435 57 S N 0.592 116.281 115.700 -0.018 0.000 2.624 57 S HA 0.212 4.682 4.470 0.001 0.000 0.263 57 S C 0.924 175.535 174.600 0.017 0.000 1.287 57 S CA -0.451 57.746 58.200 -0.005 0.000 0.990 57 S CB 1.429 64.629 63.200 0.000 0.000 0.950 57 S HN 0.670 nan 8.310 nan 0.000 0.561 58 R N 1.321 121.833 120.500 0.021 0.000 2.094 58 R HA -0.120 4.220 4.340 0.001 0.000 0.239 58 R C 2.147 178.493 176.300 0.076 0.000 1.137 58 R CA 2.318 58.442 56.100 0.040 0.000 0.943 58 R CB -0.825 29.482 30.300 0.012 0.000 0.850 58 R HN 0.834 nan 8.270 nan 0.000 0.433 59 K N -0.046 120.388 120.400 0.056 0.000 2.032 59 K HA -0.187 4.134 4.320 0.001 0.000 0.209 59 K C 2.129 178.801 176.600 0.120 0.000 1.048 59 K CA 2.155 58.496 56.287 0.089 0.000 0.927 59 K CB -0.146 32.383 32.500 0.049 0.000 0.712 59 K HN 0.396 nan 8.250 nan 0.000 0.441 60 E N 0.615 120.857 120.200 0.070 0.000 2.072 60 E HA -0.193 4.158 4.350 0.001 0.000 0.191 60 E C 2.006 178.641 176.600 0.057 0.000 0.985 60 E CA 0.801 57.231 56.400 0.049 0.000 0.801 60 E CB -0.091 29.621 29.700 0.019 0.000 0.750 60 E HN 0.113 nan 8.360 nan 0.000 0.452 61 L N 0.591 121.856 121.223 0.071 0.000 2.017 61 L HA -0.146 4.194 4.340 0.001 0.000 0.208 61 L C 2.092 179.029 176.870 0.112 0.000 1.073 61 L CA 1.572 56.456 54.840 0.074 0.000 0.745 61 L CB -0.561 41.543 42.059 0.075 0.000 0.894 61 L HN 0.041 nan 8.230 nan 0.000 0.432 62 F N 0.664 120.622 119.950 0.013 0.000 2.075 62 F HA -0.220 4.308 4.527 0.001 0.000 0.297 62 F C 2.607 178.424 175.800 0.028 0.000 1.113 62 F CA 2.292 60.306 58.000 0.023 0.000 1.218 62 F CB -0.414 38.595 39.000 0.014 0.000 0.984 62 F HN 0.130 nan 8.300 nan 0.000 0.472 63 K N -0.452 119.957 120.400 0.015 0.000 2.063 63 K HA -0.216 4.105 4.320 0.001 0.000 0.208 63 K C 2.505 179.047 176.600 -0.097 0.000 1.048 63 K CA 1.583 57.827 56.287 -0.071 0.000 0.928 63 K CB -0.566 31.948 32.500 0.023 0.000 0.713 63 K HN 0.299 nan 8.250 nan 0.000 0.442 64 S N -0.359 115.313 115.700 -0.047 0.000 2.382 64 S HA -0.126 4.344 4.470 0.001 0.000 0.228 64 S C 1.677 176.247 174.600 -0.050 0.000 1.027 64 S CA 1.964 60.142 58.200 -0.035 0.000 0.991 64 S CB -0.382 62.814 63.200 -0.008 0.000 0.823 64 S HN 0.473 nan 8.310 nan 0.000 0.469 65 T N 2.818 117.315 114.554 -0.095 0.000 2.777 65 T HA 0.043 4.394 4.350 0.001 0.000 0.266 65 T C 1.729 176.350 174.700 -0.131 0.000 1.040 65 T CA 1.385 63.418 62.100 -0.112 0.000 1.141 65 T CB -0.377 68.400 68.868 -0.151 0.000 0.868 65 T HN 0.340 nan 8.240 nan 0.000 0.444 66 L N 0.572 121.663 121.223 -0.221 0.000 2.046 66 L HA -0.096 4.245 4.340 0.001 0.000 0.208 66 L C 2.865 179.724 176.870 -0.019 0.000 1.077 66 L CA 1.395 56.166 54.840 -0.115 0.000 0.747 66 L CB -0.545 41.386 42.059 -0.212 0.000 0.896 66 L HN 0.184 nan 8.230 nan 0.000 0.432 67 R N 0.844 121.323 120.500 -0.034 0.000 2.073 67 R HA -0.179 4.161 4.340 0.001 0.000 0.234 67 R C 2.326 178.656 176.300 0.050 0.000 1.134 67 R CA 1.518 57.620 56.100 0.004 0.000 0.952 67 R CB -0.027 30.257 30.300 -0.026 0.000 0.850 67 R HN 0.267 nan 8.270 nan 0.000 0.433 68 K N -0.197 120.240 120.400 0.060 0.000 2.063 68 K HA -0.160 4.160 4.320 0.001 0.000 0.208 68 K C 2.257 178.958 176.600 0.168 0.000 1.048 68 K CA 1.663 58.068 56.287 0.198 0.000 0.928 68 K CB -0.212 32.426 32.500 0.230 0.000 0.713 68 K HN 0.293 nan 8.250 nan 0.000 0.442 69 C N 0.606 119.893 119.300 -0.021 0.000 2.432 69 C HA -0.100 4.361 4.460 0.001 0.000 0.277 69 C C 2.963 177.790 174.990 -0.272 0.000 1.249 69 C CA 0.918 59.780 59.018 -0.261 0.000 1.725 69 C CB -0.912 26.675 27.740 -0.255 0.000 2.028 69 C HN 0.563 nan 8.230 nan 0.000 0.477 70 A N -0.226 122.631 122.820 0.061 0.000 1.902 70 A HA -0.252 4.069 4.320 0.001 0.000 0.217 70 A C 1.893 179.594 177.584 0.194 0.000 1.181 70 A CA 2.307 54.484 52.037 0.234 0.000 0.623 70 A CB -1.026 18.087 19.000 0.187 0.000 0.818 70 A HN 0.768 nan 8.150 nan 0.000 0.443 71 H N -0.036 119.067 119.070 0.055 0.000 2.353 71 H HA 0.049 4.605 4.556 0.001 0.000 0.300 71 H C 2.179 177.575 175.328 0.114 0.000 1.090 71 H CA 1.830 57.901 56.048 0.038 0.000 1.327 71 H CB -0.288 29.425 29.762 -0.083 0.000 1.383 71 H HN 0.387 nan 8.280 nan 0.000 0.508 72 A N 0.039 122.941 122.820 0.135 0.000 1.883 72 A HA -0.153 4.168 4.320 0.001 0.000 0.217 72 A C 2.377 179.968 177.584 0.010 0.000 1.186 72 A CA 1.609 53.689 52.037 0.073 0.000 0.624 72 A CB -1.313 17.627 19.000 -0.100 0.000 0.822 72 A HN 0.537 nan 8.150 nan 0.000 0.444 73 F N -0.210 119.792 119.950 0.087 0.000 2.095 73 F HA -0.211 4.316 4.527 0.001 0.000 0.298 73 F C 2.458 178.276 175.800 0.029 0.000 1.104 73 F CA 1.711 59.758 58.000 0.078 0.000 1.232 73 F CB -0.102 38.956 39.000 0.096 0.000 0.987 73 F HN 0.183 nan 8.300 nan 0.000 0.475 74 K N 0.301 120.812 120.400 0.184 0.000 2.057 74 K HA -0.180 4.141 4.320 0.001 0.000 0.207 74 K C 2.269 178.862 176.600 -0.011 0.000 1.049 74 K CA 1.116 57.440 56.287 0.062 0.000 0.931 74 K CB 0.035 32.541 32.500 0.011 0.000 0.714 74 K HN -0.022 nan 8.250 nan 0.000 0.440 75 R N 0.640 121.081 120.500 -0.098 0.000 2.096 75 R HA -0.077 4.263 4.340 0.001 0.000 0.235 75 R C 2.307 178.608 176.300 0.002 0.000 1.127 75 R CA 1.178 57.226 56.100 -0.087 0.000 0.968 75 R CB -0.742 29.488 30.300 -0.118 0.000 0.861 75 R HN 0.364 nan 8.270 nan 0.000 0.440 76 I N 0.606 121.204 120.570 0.046 0.000 2.208 76 I HA -0.291 3.879 4.170 0.001 0.000 0.245 76 I C 2.277 178.426 176.117 0.054 0.000 1.097 76 I CA 1.402 62.740 61.300 0.063 0.000 1.363 76 I CB -0.257 37.814 38.000 0.118 0.000 1.051 76 I HN 0.048 nan 8.210 nan 0.000 0.413 77 I N 0.343 120.951 120.570 0.064 0.000 2.193 77 I HA -0.230 3.941 4.170 0.001 0.000 0.240 77 I C 2.417 178.550 176.117 0.028 0.000 1.084 77 I CA 1.357 62.686 61.300 0.048 0.000 1.365 77 I CB -0.442 37.590 38.000 0.054 0.000 1.064 77 I HN 0.198 nan 8.210 nan 0.000 0.410 78 E N 0.845 121.057 120.200 0.019 0.000 2.153 78 E HA -0.181 4.169 4.350 0.001 0.000 0.194 78 E C 2.069 178.674 176.600 0.009 0.000 0.988 78 E CA 1.128 57.534 56.400 0.010 0.000 0.811 78 E CB -0.056 29.643 29.700 -0.001 0.000 0.746 78 E HN 0.507 nan 8.360 nan 0.000 0.466 79 L N -0.109 121.120 121.223 0.009 0.000 2.567 79 L HA 0.166 4.506 4.340 0.001 0.000 0.225 79 L C 0.172 177.049 176.870 0.012 0.000 1.119 79 L CA -0.070 54.775 54.840 0.009 0.000 0.871 79 L CB 0.027 42.092 42.059 0.009 0.000 1.036 79 L HN 0.023 nan 8.230 nan 0.000 0.459 80 R N 0.692 121.201 120.500 0.016 0.000 3.333 80 R HA -0.157 4.184 4.340 0.001 0.000 0.256 80 R C -0.484 175.823 176.300 0.012 0.000 1.010 80 R CA 0.183 56.292 56.100 0.015 0.000 0.680 80 R CB -2.330 27.978 30.300 0.012 0.000 1.102 80 R HN 0.294 nan 8.270 nan 0.000 0.440 81 L N 1.618 122.849 121.223 0.013 0.000 2.416 81 L HA 0.105 4.446 4.340 0.001 0.000 0.272 81 L C 1.222 178.092 176.870 -0.001 0.000 1.161 81 L CA -0.464 54.380 54.840 0.007 0.000 0.845 81 L CB 0.355 42.419 42.059 0.009 0.000 1.119 81 L HN 0.286 nan 8.230 nan 0.000 0.464 82 N N 0.817 119.515 118.700 -0.004 0.000 2.327 82 N HA -0.020 4.720 4.740 0.001 0.000 0.257 82 N C 0.675 176.163 175.510 -0.037 0.000 1.281 82 N CA -0.523 52.519 53.050 -0.014 0.000 0.942 82 N CB 0.370 38.858 38.487 0.001 0.000 1.199 82 N HN 0.650 nan 8.380 nan 0.000 0.532 83 E N -0.617 119.550 120.200 -0.055 0.000 2.058 83 E HA -0.334 4.017 4.350 0.001 0.000 0.194 83 E C 1.367 177.921 176.600 -0.075 0.000 0.997 83 E CA 1.288 57.631 56.400 -0.094 0.000 0.801 83 E CB -0.072 29.569 29.700 -0.097 0.000 0.746 83 E HN 0.737 nan 8.360 nan 0.000 0.450 84 E N 0.175 120.353 120.200 -0.037 0.000 2.038 84 E HA -0.240 4.111 4.350 0.001 0.000 0.195 84 E C 2.014 178.593 176.600 -0.034 0.000 1.000 84 E CA 1.591 57.975 56.400 -0.027 0.000 0.803 84 E CB 0.015 29.723 29.700 0.012 0.000 0.750 84 E HN 0.350 nan 8.360 nan 0.000 0.448 85 E N 0.047 120.234 120.200 -0.022 0.000 2.110 85 E HA -0.201 4.150 4.350 0.001 0.000 0.193 85 E C 1.988 178.579 176.600 -0.016 0.000 0.988 85 E CA 0.918 57.309 56.400 -0.014 0.000 0.804 85 E CB -0.139 29.557 29.700 -0.007 0.000 0.745 85 E HN 0.310 nan 8.360 nan 0.000 0.458 86 A N 1.154 123.953 122.820 -0.034 0.000 1.902 86 A HA -0.093 4.228 4.320 0.001 0.000 0.217 86 A C 2.437 179.986 177.584 -0.059 0.000 1.181 86 A CA 1.659 53.670 52.037 -0.043 0.000 0.623 86 A CB -1.079 17.877 19.000 -0.073 0.000 0.818 86 A HN 0.363 nan 8.150 nan 0.000 0.443 87 G N -0.881 107.874 108.800 -0.076 0.000 2.408 87 G HA2 -0.180 3.781 3.960 0.001 0.000 0.217 87 G HA3 -0.180 3.781 3.960 0.001 0.000 0.217 87 G C 1.659 176.519 174.900 -0.065 0.000 1.150 87 G CA 0.619 45.672 45.100 -0.077 0.000 0.776 87 G HN 0.366 nan 8.290 nan 0.000 0.542 88 R N -0.312 120.161 120.500 -0.045 0.000 2.115 88 R HA 0.115 4.456 4.340 0.001 0.000 0.226 88 R C 2.427 178.775 176.300 0.080 0.000 1.100 88 R CA 0.404 56.499 56.100 -0.008 0.000 0.980 88 R CB -1.039 29.314 30.300 0.089 0.000 0.875 88 R HN 0.437 nan 8.270 nan 0.000 0.445 89 L N 1.225 122.472 121.223 0.039 0.000 2.017 89 L HA -0.124 4.217 4.340 0.001 0.000 0.208 89 L C 2.355 179.164 176.870 -0.102 0.000 1.073 89 L CA 1.731 56.569 54.840 -0.003 0.000 0.745 89 L CB -0.203 41.832 42.059 -0.039 0.000 0.894 89 L HN -0.019 nan 8.230 nan 0.000 0.432 90 R N -1.724 118.716 120.500 -0.099 0.000 2.096 90 R HA -0.210 4.131 4.340 0.001 0.000 0.235 90 R C 2.307 178.538 176.300 -0.115 0.000 1.127 90 R CA 1.367 57.391 56.100 -0.127 0.000 0.968 90 R CB -0.729 29.530 30.300 -0.067 0.000 0.861 90 R HN 0.518 nan 8.270 nan 0.000 0.440 91 H N 0.260 119.193 119.070 -0.228 0.000 2.319 91 H HA -0.124 4.433 4.556 0.001 0.000 0.299 91 H C 1.499 176.622 175.328 -0.342 0.000 1.092 91 H CA 1.872 57.717 56.048 -0.339 0.000 1.302 91 H CB -0.292 29.129 29.762 -0.568 0.000 1.373 91 H HN 0.121 nan 8.280 nan 0.000 0.497 92 F N -0.577 119.234 119.950 -0.231 0.000 2.558 92 F HA 0.046 4.574 4.527 0.001 0.000 0.298 92 F C 2.294 178.022 175.800 -0.121 0.000 1.119 92 F CA 0.285 58.134 58.000 -0.253 0.000 1.451 92 F CB -0.051 38.811 39.000 -0.231 0.000 1.091 92 F HN 0.156 nan 8.300 nan 0.000 0.563 93 I N 0.097 120.601 120.570 -0.109 0.000 2.361 93 I HA -0.287 3.884 4.170 0.001 0.000 0.251 93 I C 0.574 176.670 176.117 -0.034 0.000 1.133 93 I CA 1.223 62.395 61.300 -0.213 0.000 1.413 93 I CB -0.429 37.320 38.000 -0.419 0.000 1.073 93 I HN 0.104 nan 8.210 nan 0.000 0.424 94 D N 1.873 122.244 120.400 -0.049 0.000 2.697 94 D HA -0.276 4.365 4.640 0.001 0.000 0.235 94 D C 0.089 176.353 176.300 -0.061 0.000 1.167 94 D CA 0.740 54.714 54.000 -0.043 0.000 0.656 94 D CB -0.648 40.164 40.800 0.021 0.000 1.025 94 D HN 0.508 nan 8.370 nan 0.000 0.419 95 Q N 0.228 119.977 119.800 -0.085 0.000 2.350 95 Q HA 0.433 4.774 4.340 0.001 0.000 0.255 95 Q C -2.656 173.257 176.000 -0.144 0.000 0.951 95 Q CA -1.981 53.769 55.803 -0.089 0.000 0.751 95 Q CB 1.619 30.331 28.738 -0.044 0.000 1.296 95 Q HN -0.006 nan 8.270 nan 0.000 0.453 96 P HA 0.062 nan 4.420 nan 0.000 0.258 96 P C -1.388 175.796 177.300 -0.193 0.000 1.172 96 P CA 0.486 63.389 63.100 -0.330 0.000 0.762 96 P CB 0.669 31.915 31.700 -0.757 0.000 0.764 97 A N 3.334 126.057 122.820 -0.161 0.000 2.594 97 A HA 0.440 4.761 4.320 0.001 0.000 0.291 97 A C 0.464 177.978 177.584 -0.117 0.000 1.105 97 A CA -0.702 51.255 52.037 -0.133 0.000 0.694 97 A CB 0.291 19.129 19.000 -0.270 0.000 1.291 97 A HN 0.547 nan 8.150 nan 0.000 0.410 98 Y N -0.341 119.980 120.300 0.035 0.000 2.298 98 Y HA -0.123 4.428 4.550 0.001 0.000 0.287 98 Y C 1.474 177.406 175.900 0.054 0.000 1.164 98 Y CA 1.981 60.115 58.100 0.056 0.000 1.229 98 Y CB -1.140 37.353 38.460 0.056 0.000 0.977 98 Y HN 0.133 nan 8.280 nan 0.000 0.538 99 V N 1.590 121.083 119.914 -0.702 0.000 2.490 99 V HA -0.279 3.841 4.120 0.001 0.000 0.250 99 V C 1.912 178.008 176.094 0.004 0.000 1.061 99 V CA 2.127 64.219 62.300 -0.347 0.000 1.064 99 V CB -0.676 30.918 31.823 -0.382 0.000 0.670 99 V HN 0.453 nan 8.190 nan 0.000 0.461 100 D N 0.177 120.571 120.400 -0.010 0.000 2.144 100 D HA -0.123 4.518 4.640 0.001 0.000 0.199 100 D C 1.998 178.371 176.300 0.122 0.000 0.984 100 D CA 1.222 55.267 54.000 0.074 0.000 0.834 100 D CB -0.094 40.708 40.800 0.003 0.000 0.955 100 D HN 0.378 nan 8.370 nan 0.000 0.465 101 L N -0.450 120.844 121.223 0.119 0.000 2.307 101 L HA -0.015 4.326 4.340 0.001 0.000 0.211 101 L C 2.280 179.271 176.870 0.201 0.000 1.099 101 L CA 0.467 55.397 54.840 0.149 0.000 0.816 101 L CB -0.300 41.854 42.059 0.159 0.000 0.952 101 L HN 0.033 nan 8.230 nan 0.000 0.455 102 H N -0.683 118.427 119.070 0.066 0.000 2.290 102 H HA -0.225 4.331 4.556 0.001 0.000 0.298 102 H C 1.884 177.263 175.328 0.084 0.000 1.087 102 H CA 2.277 58.317 56.048 -0.014 0.000 1.291 102 H CB -0.180 29.407 29.762 -0.291 0.000 1.369 102 H HN 0.298 nan 8.280 nan 0.000 0.492 103 W N -0.610 120.854 121.300 0.274 0.000 2.523 103 W HA 0.148 4.808 4.660 0.001 0.000 0.278 103 W C 2.619 179.200 176.519 0.103 0.000 1.236 103 W CA 0.423 57.874 57.345 0.176 0.000 1.306 103 W CB 0.091 29.668 29.460 0.195 0.000 1.101 103 W HN 0.315 nan 8.180 nan 0.000 0.577 104 G N -0.941 108.042 108.800 0.305 0.000 2.683 104 G HA2 -0.014 3.946 3.960 0.001 0.000 0.213 104 G HA3 -0.014 3.946 3.960 0.001 0.000 0.213 104 G C 1.256 176.208 174.900 0.087 0.000 1.142 104 G CA 0.727 45.927 45.100 0.166 0.000 0.793 104 G HN -0.001 nan 8.290 nan 0.000 0.534 105 M N -1.818 117.851 119.600 0.116 0.000 1.904 105 M HA 0.336 4.816 4.480 0.001 0.000 0.203 105 M C 1.716 178.154 176.300 0.231 0.000 1.379 105 M CA -0.265 55.071 55.300 0.061 0.000 0.949 105 M CB -0.806 31.763 32.600 -0.051 0.000 1.612 105 M HN 0.130 nan 8.290 nan 0.000 0.585 106 F N 2.166 122.183 119.950 0.112 0.000 2.046 106 F HA -0.156 4.372 4.527 0.001 0.000 0.297 106 F C 2.219 178.029 175.800 0.015 0.000 1.123 106 F CA 2.060 60.101 58.000 0.068 0.000 1.199 106 F CB -0.543 38.410 39.000 -0.077 0.000 0.972 106 F HN -0.119 nan 8.300 nan 0.000 0.474 107 V N 1.160 121.047 119.914 -0.044 0.000 2.255 107 V HA -0.246 3.875 4.120 0.001 0.000 0.247 107 V C -0.335 175.741 176.094 -0.031 0.000 1.051 107 V CA 2.615 64.871 62.300 -0.073 0.000 1.018 107 V CB -1.849 30.079 31.823 0.175 0.000 0.641 107 V HN 0.222 nan 8.190 nan 0.000 0.445 108 P HA -0.162 nan 4.420 nan 0.000 0.216 108 P C 1.634 178.952 177.300 0.031 0.000 1.150 108 P CA 1.981 65.107 63.100 0.044 0.000 0.837 108 P CB -0.151 31.588 31.700 0.066 0.000 0.786 109 A N -0.869 121.983 122.820 0.053 0.000 1.933 109 A HA -0.166 4.155 4.320 0.001 0.000 0.218 109 A C 2.164 179.734 177.584 -0.023 0.000 1.175 109 A CA 1.410 53.511 52.037 0.107 0.000 0.628 109 A CB -1.540 17.634 19.000 0.289 0.000 0.814 109 A HN 0.133 nan 8.150 nan 0.000 0.444 110 I N -0.867 119.614 120.570 -0.148 0.000 2.353 110 I HA -0.202 3.968 4.170 0.001 0.000 0.248 110 I C 2.399 178.470 176.117 -0.075 0.000 1.119 110 I CA 1.189 62.381 61.300 -0.180 0.000 1.417 110 I CB -0.227 37.594 38.000 -0.298 0.000 1.078 110 I HN 0.267 nan 8.210 nan 0.000 0.421 111 K N 0.766 121.140 120.400 -0.044 0.000 2.057 111 K HA -0.093 4.227 4.320 0.001 0.000 0.207 111 K C 2.085 178.681 176.600 -0.006 0.000 1.049 111 K CA 1.579 57.859 56.287 -0.012 0.000 0.931 111 K CB -0.377 32.124 32.500 0.001 0.000 0.714 111 K HN 0.404 nan 8.250 nan 0.000 0.440 112 G N 0.181 108.982 108.800 0.002 0.000 2.603 112 G HA2 -0.149 3.812 3.960 0.001 0.000 0.214 112 G HA3 -0.149 3.812 3.960 0.001 0.000 0.214 112 G C 1.145 176.050 174.900 0.009 0.000 1.140 112 G CA 0.093 45.200 45.100 0.011 0.000 0.800 112 G HN 0.249 nan 8.290 nan 0.000 0.533 113 Q N -0.558 119.241 119.800 -0.001 0.000 2.246 113 Q HA 0.244 4.585 4.340 0.001 0.000 0.222 113 Q C 1.089 177.061 176.000 -0.046 0.000 0.851 113 Q CA -0.117 55.677 55.803 -0.014 0.000 0.945 113 Q CB 1.429 30.167 28.738 0.000 0.000 1.122 113 Q HN 0.309 nan 8.270 nan 0.000 0.508 114 G N 0.901 109.674 108.800 -0.045 0.000 2.389 114 G HA2 0.368 4.328 3.960 0.001 0.000 0.317 114 G HA3 0.368 4.328 3.960 0.001 0.000 0.317 114 G C 0.083 174.977 174.900 -0.010 0.000 1.137 114 G CA -0.344 44.733 45.100 -0.039 0.000 0.870 114 G HN 0.085 nan 8.290 nan 0.000 0.496 115 T N -0.522 114.032 114.554 0.000 0.000 2.701 115 T HA 0.137 4.488 4.350 0.001 0.000 0.303 115 T C 1.139 175.850 174.700 0.018 0.000 1.030 115 T CA -0.091 62.013 62.100 0.006 0.000 1.010 115 T CB 0.958 69.831 68.868 0.008 0.000 1.007 115 T HN 0.401 nan 8.240 nan 0.000 0.532 116 E N 0.585 120.792 120.200 0.011 0.000 2.077 116 E HA -0.118 4.232 4.350 0.001 0.000 0.193 116 E C 2.210 178.821 176.600 0.019 0.000 0.989 116 E CA 1.196 57.603 56.400 0.012 0.000 0.800 116 E CB -0.370 29.332 29.700 0.003 0.000 0.746 116 E HN 0.683 nan 8.360 nan 0.000 0.452 117 E N 1.066 121.278 120.200 0.020 0.000 2.051 117 E HA -0.162 4.188 4.350 0.001 0.000 0.192 117 E C 2.157 178.783 176.600 0.043 0.000 0.991 117 E CA 0.874 57.286 56.400 0.019 0.000 0.799 117 E CB -0.225 29.485 29.700 0.017 0.000 0.748 117 E HN 0.434 nan 8.360 nan 0.000 0.449 118 Q N 0.399 120.253 119.800 0.091 0.000 2.096 118 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 118 Q C 2.295 178.427 176.000 0.220 0.000 0.982 118 Q CA 1.284 57.215 55.803 0.214 0.000 0.850 118 Q CB -0.146 28.713 28.738 0.202 0.000 0.901 118 Q HN 0.374 nan 8.270 nan 0.000 0.422 119 Q N 0.243 120.111 119.800 0.113 0.000 2.084 119 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 119 Q C 2.056 178.095 176.000 0.065 0.000 0.978 119 Q CA 0.814 56.669 55.803 0.087 0.000 0.844 119 Q CB 0.061 28.826 28.738 0.043 0.000 0.898 119 Q HN 0.165 nan 8.270 nan 0.000 0.426 120 K N 1.069 121.487 120.400 0.031 0.000 2.074 120 K HA -0.186 4.134 4.320 0.001 0.000 0.209 120 K C 1.896 178.476 176.600 -0.034 0.000 1.048 120 K CA 1.269 57.557 56.287 0.001 0.000 0.926 120 K CB -0.257 32.236 32.500 -0.012 0.000 0.713 120 K HN 0.172 nan 8.250 nan 0.000 0.444 121 K N -0.274 120.075 120.400 -0.084 0.000 2.005 121 K HA -0.119 4.201 4.320 0.001 0.000 0.206 121 K C 2.154 178.584 176.600 -0.284 0.000 1.044 121 K CA 1.191 57.328 56.287 -0.251 0.000 0.942 121 K CB -0.200 32.039 32.500 -0.434 0.000 0.727 121 K HN 0.098 nan 8.250 nan 0.000 0.439 122 W N 1.356 122.645 121.300 -0.020 0.000 2.388 122 W HA -0.009 4.652 4.660 0.001 0.000 0.294 122 W C 1.958 178.473 176.519 -0.007 0.000 1.212 122 W CA 0.316 57.644 57.345 -0.027 0.000 1.271 122 W CB -0.202 29.217 29.460 -0.069 0.000 1.126 122 W HN 0.073 nan 8.180 nan 0.000 0.535 123 L N -0.339 120.996 121.223 0.186 0.000 2.141 123 L HA -0.188 4.153 4.340 0.001 0.000 0.209 123 L C 2.650 179.604 176.870 0.141 0.000 1.094 123 L CA 1.244 56.170 54.840 0.145 0.000 0.763 123 L CB -0.781 41.338 42.059 0.101 0.000 0.908 123 L HN -0.023 nan 8.230 nan 0.000 0.437 124 S N 0.023 115.773 115.700 0.082 0.000 2.368 124 S HA -0.107 4.364 4.470 0.001 0.000 0.224 124 S C 1.955 176.599 174.600 0.073 0.000 1.029 124 S CA 1.032 59.267 58.200 0.058 0.000 0.988 124 S CB -0.066 63.134 63.200 0.000 0.000 0.838 124 S HN 0.297 nan 8.310 nan 0.000 0.462 125 L N 0.914 122.173 121.223 0.061 0.000 2.072 125 L HA 0.015 4.356 4.340 0.001 0.000 0.205 125 L C 2.944 179.912 176.870 0.163 0.000 1.079 125 L CA 1.169 56.051 54.840 0.070 0.000 0.752 125 L CB -0.672 41.401 42.059 0.024 0.000 0.906 125 L HN 0.380 nan 8.230 nan 0.000 0.436 126 A N 0.302 123.276 122.820 0.257 0.000 1.873 126 A HA -0.193 4.127 4.320 0.001 0.000 0.215 126 A C 2.034 179.856 177.584 0.396 0.000 1.186 126 A CA 1.783 54.038 52.037 0.362 0.000 0.616 126 A CB -0.563 18.647 19.000 0.350 0.000 0.823 126 A HN 0.421 nan 8.150 nan 0.000 0.442 127 N N 0.012 118.956 118.700 0.407 0.000 2.289 127 N HA -0.097 4.644 4.740 0.001 0.000 0.184 127 N C 1.020 176.782 175.510 0.421 0.000 1.016 127 N CA 1.274 54.661 53.050 0.562 0.000 0.872 127 N CB -0.220 38.467 38.487 0.333 0.000 0.973 127 N HN 0.536 nan 8.380 nan 0.000 0.433 128 K N 0.284 120.817 120.400 0.223 0.000 2.410 128 K HA 0.254 4.575 4.320 0.001 0.000 0.200 128 K C 0.081 176.695 176.600 0.023 0.000 1.023 128 K CA -0.148 56.206 56.287 0.112 0.000 1.149 128 K CB 0.317 32.857 32.500 0.066 0.000 0.859 128 K HN -0.132 nan 8.250 nan 0.000 0.514 129 M N -0.053 119.554 119.600 0.011 0.000 2.762 129 M HA -0.328 4.153 4.480 0.001 0.000 0.190 129 M C 0.353 176.597 176.300 -0.094 0.000 0.586 129 M CA 1.139 56.338 55.300 -0.169 0.000 0.620 129 M CB -2.536 29.829 32.600 -0.392 0.000 2.269 129 M HN 0.351 nan 8.290 nan 0.000 0.563 130 Q N 0.294 120.090 119.800 -0.007 0.000 2.291 130 Q HA 0.130 4.470 4.340 0.001 0.000 0.205 130 Q C 1.117 177.136 176.000 0.031 0.000 0.970 130 Q CA 1.311 57.118 55.803 0.006 0.000 0.876 130 Q CB 0.151 28.898 28.738 0.015 0.000 0.935 130 Q HN 0.885 nan 8.270 nan 0.000 0.455 131 I N -3.447 117.155 120.570 0.052 0.000 3.095 131 I HA 0.522 4.693 4.170 0.001 0.000 0.310 131 I C -1.158 174.992 176.117 0.054 0.000 1.196 131 I CA -1.477 59.880 61.300 0.096 0.000 0.985 131 I CB 2.111 40.157 38.000 0.077 0.000 1.250 131 I HN -0.231 nan 8.210 nan 0.000 0.446 132 I N 2.421 123.004 120.570 0.021 0.000 2.439 132 I HA 0.648 4.818 4.170 0.001 0.000 0.285 132 I C 0.141 176.133 176.117 -0.208 0.000 1.021 132 I CA -0.407 60.838 61.300 -0.091 0.000 1.091 132 I CB 1.806 39.708 38.000 -0.163 0.000 1.242 132 I HN 0.848 nan 8.210 nan 0.000 0.439 133 G N 4.414 112.889 108.800 -0.541 0.000 2.511 133 G HA2 0.713 4.674 3.960 0.001 0.000 0.318 133 G HA3 0.713 4.674 3.960 0.001 0.000 0.318 133 G C -0.755 173.730 174.900 -0.692 0.000 1.210 133 G CA -0.578 43.618 45.100 -1.507 0.000 0.969 133 G HN 0.819 nan 8.290 nan 0.000 0.484 134 C N -1.542 117.577 119.300 -0.300 0.000 3.108 134 C HA 0.790 5.250 4.460 0.001 0.000 0.321 134 C C -0.838 174.351 174.990 0.331 0.000 1.357 134 C CA -1.479 57.600 59.018 0.100 0.000 1.562 134 C CB 0.977 28.766 27.740 0.083 0.000 2.003 134 C HN 0.691 nan 8.230 nan 0.000 0.460 135 Y N 1.428 121.859 120.300 0.218 0.000 2.717 135 Y HA 0.555 5.106 4.550 0.001 0.000 0.329 135 Y C 0.376 176.423 175.900 0.245 0.000 1.017 135 Y CA -0.361 57.898 58.100 0.265 0.000 1.275 135 Y CB 0.266 38.855 38.460 0.215 0.000 1.109 135 Y HN 1.023 nan 8.280 nan 0.000 0.511 136 A N 5.858 128.734 122.820 0.094 0.000 2.798 136 A HA 0.227 4.547 4.320 0.001 0.000 0.316 136 A C 0.760 178.420 177.584 0.127 0.000 1.506 136 A CA -0.254 51.864 52.037 0.135 0.000 1.162 136 A CB 0.093 19.187 19.000 0.157 0.000 1.138 136 A HN 0.949 nan 8.150 nan 0.000 0.532 137 Q N 1.647 121.525 119.800 0.130 0.000 2.606 137 Q HA 0.065 4.406 4.340 0.001 0.000 0.215 137 Q C 0.272 176.388 176.000 0.193 0.000 0.908 137 Q CA 0.505 56.382 55.803 0.125 0.000 0.908 137 Q CB 0.478 29.209 28.738 -0.011 0.000 1.120 137 Q HN 0.568 nan 8.270 nan 0.000 0.628 138 T N 2.276 116.976 114.554 0.244 0.000 2.937 138 T HA 0.076 4.427 4.350 0.001 0.000 0.316 138 T C -0.499 174.391 174.700 0.318 0.000 1.079 138 T CA 0.456 62.726 62.100 0.283 0.000 1.131 138 T CB 0.657 69.729 68.868 0.340 0.000 1.000 138 T HN 0.251 nan 8.240 nan 0.000 0.549 139 E N 1.162 121.548 120.200 0.309 0.000 2.393 139 E HA 0.378 4.728 4.350 0.001 0.000 0.265 139 E C 1.009 177.766 176.600 0.261 0.000 0.941 139 E CA -0.949 55.630 56.400 0.298 0.000 0.801 139 E CB 1.488 31.330 29.700 0.237 0.000 1.313 139 E HN 0.330 nan 8.360 nan 0.000 0.435 140 L N 0.492 121.805 121.223 0.150 0.000 2.013 140 L HA -0.181 4.159 4.340 0.001 0.000 0.212 140 L C 1.934 178.753 176.870 -0.085 0.000 1.073 140 L CA 2.013 56.781 54.840 -0.120 0.000 0.753 140 L CB -0.346 41.541 42.059 -0.287 0.000 0.890 140 L HN 0.785 nan 8.230 nan 0.000 0.432 141 G N -3.044 105.750 108.800 -0.011 0.000 2.939 141 G HA2 0.024 3.984 3.960 0.001 0.000 0.210 141 G HA3 0.024 3.984 3.960 0.001 0.000 0.210 141 G C -0.400 174.278 174.900 -0.370 0.000 1.160 141 G CA -0.100 44.924 45.100 -0.126 0.000 0.770 141 G HN 0.391 nan 8.290 nan 0.000 0.543 142 H N -2.162 116.944 119.070 0.060 0.000 3.017 142 H HA 0.506 5.063 4.556 0.001 0.000 0.340 142 H C 0.651 176.040 175.328 0.103 0.000 1.014 142 H CA 0.001 56.090 56.048 0.069 0.000 1.341 142 H CB 1.959 31.757 29.762 0.059 0.000 1.739 142 H HN 0.047 nan 8.280 nan 0.000 0.506 143 G N 0.587 109.483 108.800 0.160 0.000 2.561 143 G HA2 -0.054 3.907 3.960 0.001 0.000 0.197 143 G HA3 -0.054 3.907 3.960 0.001 0.000 0.197 143 G C 1.163 176.127 174.900 0.107 0.000 1.250 143 G CA 0.192 45.378 45.100 0.143 0.000 0.703 143 G HN 0.481 nan 8.290 nan 0.000 0.625 144 S N 0.941 116.684 115.700 0.072 0.000 2.368 144 S HA -0.066 4.405 4.470 0.001 0.000 0.224 144 S C 1.321 175.966 174.600 0.074 0.000 1.029 144 S CA 0.747 58.980 58.200 0.057 0.000 0.988 144 S CB -0.190 63.030 63.200 0.034 0.000 0.838 144 S HN 0.368 nan 8.310 nan 0.000 0.462 145 N N 1.905 120.669 118.700 0.106 0.000 3.034 145 N HA 0.153 4.894 4.740 0.001 0.000 0.265 145 N C 0.569 176.157 175.510 0.130 0.000 1.166 145 N CA -0.101 53.023 53.050 0.123 0.000 1.081 145 N CB 0.186 38.771 38.487 0.163 0.000 1.378 145 N HN -0.062 nan 8.380 nan 0.000 0.520 146 V N 1.516 121.475 119.914 0.075 0.000 2.594 146 V HA -0.204 3.916 4.120 0.001 0.000 0.253 146 V C 2.064 178.162 176.094 0.007 0.000 1.069 146 V CA 1.357 63.683 62.300 0.044 0.000 1.082 146 V CB -0.415 31.413 31.823 0.009 0.000 0.680 146 V HN 0.596 nan 8.190 nan 0.000 0.469 147 Q N 0.496 120.298 119.800 0.004 0.000 2.364 147 Q HA -0.062 4.279 4.340 0.001 0.000 0.207 147 Q C 2.138 178.101 176.000 -0.062 0.000 0.970 147 Q CA 1.424 57.216 55.803 -0.019 0.000 0.888 147 Q CB -0.488 28.245 28.738 -0.008 0.000 0.951 147 Q HN 0.691 nan 8.270 nan 0.000 0.469 148 G N -0.255 108.484 108.800 -0.101 0.000 3.233 148 G HA2 0.210 4.171 3.960 0.001 0.000 0.227 148 G HA3 0.210 4.171 3.960 0.001 0.000 0.227 148 G C 0.411 174.879 174.900 -0.721 0.000 1.175 148 G CA -0.361 44.535 45.100 -0.340 0.000 0.781 148 G HN 0.141 nan 8.290 nan 0.000 0.542 149 L N 0.361 121.382 121.223 -0.335 0.000 2.543 149 L HA 0.062 4.403 4.340 0.001 0.000 0.285 149 L C 1.249 178.009 176.870 -0.183 0.000 1.236 149 L CA 0.288 55.001 54.840 -0.212 0.000 0.871 149 L CB 0.677 42.721 42.059 -0.023 0.000 1.121 149 L HN 0.275 nan 8.230 nan 0.000 0.501 150 E N 0.251 120.391 120.200 -0.099 0.000 2.389 150 E HA 0.033 4.384 4.350 0.001 0.000 0.199 150 E C 0.086 176.676 176.600 -0.016 0.000 0.978 150 E CA -0.018 56.353 56.400 -0.048 0.000 0.912 150 E CB 0.394 30.094 29.700 -0.001 0.000 0.907 150 E HN 0.654 nan 8.360 nan 0.000 0.494 151 T N 2.229 116.784 114.554 0.002 0.000 2.928 151 T HA 0.080 4.430 4.350 0.001 0.000 0.305 151 T C 0.279 174.939 174.700 -0.067 0.000 1.035 151 T CA 0.304 62.394 62.100 -0.017 0.000 1.145 151 T CB 0.739 69.616 68.868 0.014 0.000 0.963 151 T HN 0.152 nan 8.240 nan 0.000 0.545 152 T N -0.744 113.751 114.554 -0.099 0.000 2.908 152 T HA 0.749 5.099 4.350 0.001 0.000 0.290 152 T C -0.745 173.810 174.700 -0.242 0.000 1.034 152 T CA -1.149 60.882 62.100 -0.115 0.000 1.010 152 T CB 1.953 70.804 68.868 -0.029 0.000 1.068 152 T HN 0.642 nan 8.240 nan 0.000 0.481 153 A N 2.141 124.778 122.820 -0.304 0.000 2.466 153 A HA 0.649 4.970 4.320 0.001 0.000 0.291 153 A C -0.036 177.500 177.584 -0.080 0.000 1.234 153 A CA -0.782 50.968 52.037 -0.477 0.000 0.752 153 A CB 0.569 18.720 19.000 -1.415 0.000 1.153 153 A HN 0.839 nan 8.150 nan 0.000 0.458 154 T N 3.007 117.611 114.554 0.082 0.000 2.771 154 T HA 0.446 4.796 4.350 0.001 0.000 0.281 154 T C -0.007 174.814 174.700 0.201 0.000 0.982 154 T CA -0.313 61.887 62.100 0.167 0.000 0.978 154 T CB 1.015 69.930 68.868 0.078 0.000 0.930 154 T HN 0.574 nan 8.240 nan 0.000 0.447 155 L N 2.916 124.209 121.223 0.117 0.000 2.461 155 L HA 0.341 4.682 4.340 0.001 0.000 0.272 155 L C 0.108 176.887 176.870 -0.152 0.000 1.197 155 L CA 0.280 54.949 54.840 -0.284 0.000 0.836 155 L CB 0.469 42.293 42.059 -0.392 0.000 1.105 155 L HN 0.520 nan 8.230 nan 0.000 0.477 156 D N 5.386 125.672 120.400 -0.190 0.000 2.462 156 D HA 0.333 4.973 4.640 0.001 0.000 0.249 156 D C -1.994 174.239 176.300 -0.112 0.000 1.117 156 D CA -1.951 51.986 54.000 -0.105 0.000 0.900 156 D CB 1.600 42.357 40.800 -0.072 0.000 1.039 156 D HN 0.311 nan 8.370 nan 0.000 0.516 157 P HA -0.165 nan 4.420 nan 0.000 0.217 157 P C 1.000 178.264 177.300 -0.059 0.000 1.148 157 P CA 1.326 64.381 63.100 -0.076 0.000 0.834 157 P CB 0.397 32.066 31.700 -0.051 0.000 0.783 158 K N -1.288 119.082 120.400 -0.049 0.000 2.155 158 K HA -0.037 4.283 4.320 0.001 0.000 0.203 158 K C 1.735 178.313 176.600 -0.036 0.000 1.052 158 K CA 1.875 58.139 56.287 -0.037 0.000 0.948 158 K CB -0.548 31.933 32.500 -0.032 0.000 0.728 158 K HN 0.320 nan 8.250 nan 0.000 0.448 159 T N -2.729 111.799 114.554 -0.044 0.000 3.044 159 T HA 0.046 4.397 4.350 0.001 0.000 0.260 159 T C 0.157 174.830 174.700 -0.045 0.000 1.019 159 T CA 0.101 62.180 62.100 -0.035 0.000 0.921 159 T CB 0.105 68.958 68.868 -0.025 0.000 1.053 159 T HN 0.135 nan 8.240 nan 0.000 0.533 160 D N 1.197 121.552 120.400 -0.076 0.000 2.723 160 D HA -0.149 4.492 4.640 0.001 0.000 0.236 160 D C -0.487 175.747 176.300 -0.110 0.000 1.138 160 D CA 0.868 54.808 54.000 -0.101 0.000 0.676 160 D CB -1.268 39.496 40.800 -0.059 0.000 1.069 160 D HN 0.804 nan 8.370 nan 0.000 0.430 161 E N -0.653 119.467 120.200 -0.132 0.000 2.369 161 E HA 0.535 4.885 4.350 0.001 0.000 0.270 161 E C -0.490 176.018 176.600 -0.154 0.000 0.909 161 E CA -0.926 55.425 56.400 -0.080 0.000 0.775 161 E CB 1.131 30.829 29.700 -0.003 0.000 1.270 161 E HN 0.050 nan 8.360 nan 0.000 0.445 162 F N 0.955 120.908 119.950 0.005 0.000 2.421 162 F HA 0.283 4.810 4.527 0.001 0.000 0.337 162 F C -0.102 175.651 175.800 -0.078 0.000 1.105 162 F CA -0.843 57.130 58.000 -0.045 0.000 1.049 162 F CB 1.388 40.348 39.000 -0.066 0.000 1.139 162 F HN 0.106 nan 8.300 nan 0.000 0.479 163 V N 5.987 125.983 119.914 0.137 0.000 2.318 163 V HA 0.212 4.333 4.120 0.001 0.000 0.271 163 V C 0.034 176.112 176.094 -0.027 0.000 1.030 163 V CA -0.629 61.711 62.300 0.066 0.000 0.844 163 V CB 0.509 32.385 31.823 0.088 0.000 1.015 163 V HN 0.375 nan 8.190 nan 0.000 0.460 164 I N 4.957 125.455 120.570 -0.120 0.000 2.352 164 I HA 0.414 4.585 4.170 0.001 0.000 0.290 164 I C -0.071 175.964 176.117 -0.135 0.000 1.036 164 I CA 0.123 61.222 61.300 -0.334 0.000 1.336 164 I CB 0.321 37.904 38.000 -0.696 0.000 1.407 164 I HN 0.642 nan 8.210 nan 0.000 0.497 165 H N 3.820 122.746 119.070 -0.240 0.000 2.895 165 H HA 0.504 5.061 4.556 0.001 0.000 0.373 165 H C -0.859 174.439 175.328 -0.049 0.000 1.174 165 H CA -0.364 55.588 56.048 -0.161 0.000 1.144 165 H CB 1.865 31.452 29.762 -0.291 0.000 1.793 165 H HN 0.474 nan 8.280 nan 0.000 0.551 166 T N 6.975 121.155 114.554 -0.624 0.000 3.029 166 T HA 0.176 4.526 4.350 0.001 0.000 0.346 166 T C -1.860 172.540 174.700 -0.502 0.000 1.211 166 T CA -1.173 60.728 62.100 -0.332 0.000 1.009 166 T CB 0.831 69.613 68.868 -0.145 0.000 1.084 166 T HN 0.520 nan 8.240 nan 0.000 0.536 167 P HA -0.125 nan 4.420 nan 0.000 0.216 167 P C 0.907 178.189 177.300 -0.029 0.000 1.157 167 P CA 1.358 64.443 63.100 -0.026 0.000 0.880 167 P CB 0.145 31.868 31.700 0.039 0.000 0.791 168 T N -5.935 108.595 114.554 -0.039 0.000 2.831 168 T HA 0.286 4.637 4.350 0.001 0.000 0.287 168 T C 0.750 175.427 174.700 -0.037 0.000 1.070 168 T CA -0.800 61.285 62.100 -0.024 0.000 1.010 168 T CB 1.438 70.303 68.868 -0.004 0.000 1.264 168 T HN -0.092 nan 8.240 nan 0.000 0.532 169 Q N 0.122 119.898 119.800 -0.041 0.000 2.167 169 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 169 Q C 1.938 177.907 176.000 -0.053 0.000 0.970 169 Q CA 2.009 57.778 55.803 -0.057 0.000 0.855 169 Q CB -0.566 28.125 28.738 -0.079 0.000 0.911 169 Q HN 0.934 nan 8.270 nan 0.000 0.438 170 T N -2.684 111.846 114.554 -0.040 0.000 3.072 170 T HA 0.109 4.459 4.350 0.001 0.000 0.266 170 T C 1.530 176.257 174.700 0.045 0.000 1.127 170 T CA 0.685 62.770 62.100 -0.025 0.000 1.107 170 T CB -0.003 68.859 68.868 -0.010 0.000 0.910 170 T HN 0.296 nan 8.240 nan 0.000 0.513 171 A N 1.283 124.129 122.820 0.043 0.000 2.169 171 A HA 0.378 4.698 4.320 0.001 0.000 0.212 171 A C 1.492 179.138 177.584 0.103 0.000 1.153 171 A CA 0.177 52.256 52.037 0.070 0.000 0.756 171 A CB -0.465 18.550 19.000 0.025 0.000 0.813 171 A HN 0.507 nan 8.150 nan 0.000 0.471 172 S N 1.371 117.127 115.700 0.092 0.000 2.552 172 S HA 0.164 4.634 4.470 0.001 0.000 0.289 172 S C 0.141 174.886 174.600 0.243 0.000 1.304 172 S CA -0.433 57.856 58.200 0.147 0.000 1.063 172 S CB 0.134 63.417 63.200 0.137 0.000 0.848 172 S HN 0.310 nan 8.310 nan 0.000 0.499 173 K N 3.683 124.229 120.400 0.244 0.000 2.355 173 K HA 0.142 4.463 4.320 0.001 0.000 0.270 173 K C -0.400 176.425 176.600 0.374 0.000 1.003 173 K CA 0.052 56.504 56.287 0.275 0.000 0.957 173 K CB 0.326 32.947 32.500 0.203 0.000 0.939 173 K HN 0.798 nan 8.250 nan 0.000 0.482 174 W N 3.212 124.595 121.300 0.140 0.000 3.544 174 W HA 0.111 4.771 4.660 0.001 0.000 0.326 174 W C -0.889 175.732 176.519 0.170 0.000 1.137 174 W CA -0.615 56.771 57.345 0.070 0.000 1.252 174 W CB 0.608 30.077 29.460 0.014 0.000 1.302 174 W HN 0.846 nan 8.180 nan 0.000 0.467 175 W N 1.390 122.649 121.300 -0.069 0.000 0.478 175 W HA -0.183 4.477 4.660 0.001 0.000 0.220 175 W C -1.984 174.547 176.519 0.020 0.000 0.931 175 W CA 0.106 57.448 57.345 -0.004 0.000 0.335 175 W CB -1.976 27.570 29.460 0.143 0.000 1.927 175 W HN 0.179 nan 8.180 nan 0.000 1.014 176 P HA 0.184 nan 4.420 nan 0.000 0.258 176 P C 0.596 177.992 177.300 0.160 0.000 1.172 176 P CA 1.625 64.852 63.100 0.212 0.000 0.762 176 P CB 0.151 31.952 31.700 0.168 0.000 0.764 177 G N 2.710 111.631 108.800 0.202 0.000 2.442 177 G HA2 0.387 4.348 3.960 0.001 0.000 0.249 177 G HA3 0.387 4.348 3.960 0.001 0.000 0.249 177 G C 1.030 176.032 174.900 0.170 0.000 1.263 177 G CA 0.110 45.328 45.100 0.196 0.000 0.846 177 G HN 0.835 nan 8.290 nan 0.000 0.555 178 G N 0.730 109.636 108.800 0.176 0.000 2.184 178 G HA2 -0.248 3.713 3.960 0.001 0.000 0.264 178 G HA3 -0.248 3.713 3.960 0.001 0.000 0.264 178 G C 1.100 176.043 174.900 0.073 0.000 0.975 178 G CA 0.879 46.097 45.100 0.196 0.000 0.642 178 G HN 1.283 nan 8.290 nan 0.000 0.536 179 L N 1.072 122.304 121.223 0.015 0.000 2.249 179 L HA 0.499 4.839 4.340 0.001 0.000 0.207 179 L C 2.567 179.331 176.870 -0.176 0.000 1.090 179 L CA 2.592 57.387 54.840 -0.075 0.000 0.802 179 L CB -0.932 41.086 42.059 -0.069 0.000 0.947 179 L HN 0.259 nan 8.230 nan 0.000 0.453 180 G N -0.068 108.610 108.800 -0.203 0.000 2.476 180 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 180 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 180 G C 1.464 176.196 174.900 -0.280 0.000 1.164 180 G CA 1.215 46.121 45.100 -0.324 0.000 0.768 180 G HN 0.373 nan 8.290 nan 0.000 0.560 181 K N -1.303 119.008 120.400 -0.149 0.000 2.574 181 K HA 0.258 4.578 4.320 0.001 0.000 0.215 181 K C 2.032 178.712 176.600 0.133 0.000 1.485 181 K CA 0.176 56.434 56.287 -0.049 0.000 1.006 181 K CB 0.570 33.005 32.500 -0.108 0.000 1.254 181 K HN 0.286 nan 8.250 nan 0.000 0.580 182 V N 1.378 121.343 119.914 0.084 0.000 2.391 182 V HA 0.058 4.179 4.120 0.001 0.000 0.237 182 V C 0.916 176.992 176.094 -0.030 0.000 1.046 182 V CA 0.527 62.814 62.300 -0.022 0.000 1.053 182 V CB -0.299 31.307 31.823 -0.362 0.000 0.704 182 V HN 0.043 nan 8.190 nan 0.000 0.475 183 S N 1.390 117.039 115.700 -0.085 0.000 2.642 183 S HA -0.021 4.450 4.470 0.001 0.000 0.308 183 S C 1.446 175.971 174.600 -0.125 0.000 1.255 183 S CA 0.757 58.896 58.200 -0.102 0.000 1.057 183 S CB 0.801 63.937 63.200 -0.106 0.000 0.785 183 S HN 0.806 nan 8.310 nan 0.000 0.500 184 T N 0.590 115.099 114.554 -0.074 0.000 3.051 184 T HA 0.184 4.535 4.350 0.001 0.000 0.255 184 T C 0.259 174.781 174.700 -0.296 0.000 1.085 184 T CA 0.466 62.486 62.100 -0.133 0.000 1.109 184 T CB -0.049 68.861 68.868 0.069 0.000 0.921 184 T HN 0.659 nan 8.240 nan 0.000 0.488 185 H N 0.194 119.200 119.070 -0.107 0.000 2.941 185 H HA 0.857 5.413 4.556 0.001 0.000 0.344 185 H C -0.756 174.489 175.328 -0.138 0.000 1.235 185 H CA -0.419 55.591 56.048 -0.064 0.000 1.149 185 H CB 1.995 31.786 29.762 0.048 0.000 1.885 185 H HN 0.436 nan 8.280 nan 0.000 0.558 186 A N 0.271 123.182 122.820 0.152 0.000 2.605 186 A HA 0.508 4.828 4.320 0.001 0.000 0.294 186 A C -1.649 176.072 177.584 0.228 0.000 1.062 186 A CA -0.618 51.526 52.037 0.179 0.000 0.682 186 A CB 0.961 20.018 19.000 0.094 0.000 1.278 186 A HN 0.391 nan 8.150 nan 0.000 0.410 187 V N 2.099 122.157 119.914 0.239 0.000 2.339 187 V HA 0.345 4.466 4.120 0.001 0.000 0.261 187 V C -0.036 175.961 176.094 -0.162 0.000 1.058 187 V CA -0.317 61.953 62.300 -0.051 0.000 0.897 187 V CB 0.775 32.536 31.823 -0.102 0.000 1.052 187 V HN 0.610 nan 8.190 nan 0.000 0.480 188 V N 6.047 125.868 119.914 -0.155 0.000 2.465 188 V HA 0.367 4.487 4.120 0.001 0.000 0.279 188 V C -0.496 175.475 176.094 -0.206 0.000 1.045 188 V CA -0.649 61.600 62.300 -0.085 0.000 0.938 188 V CB 0.943 32.742 31.823 -0.040 0.000 0.986 188 V HN 0.671 nan 8.190 nan 0.000 0.467 189 Y N 2.970 123.264 120.300 -0.009 0.000 2.330 189 Y HA 0.737 5.287 4.550 0.001 0.000 0.336 189 Y C 0.440 176.369 175.900 0.049 0.000 1.036 189 Y CA -0.064 58.058 58.100 0.038 0.000 1.125 189 Y CB 1.769 40.202 38.460 -0.045 0.000 1.194 189 Y HN 0.819 nan 8.280 nan 0.000 0.469 190 A N 2.968 125.915 122.820 0.212 0.000 2.588 190 A HA 0.705 5.026 4.320 0.001 0.000 0.290 190 A C -1.203 176.459 177.584 0.130 0.000 1.136 190 A CA -1.294 50.781 52.037 0.064 0.000 0.681 190 A CB 1.311 20.199 19.000 -0.187 0.000 1.282 190 A HN 0.739 nan 8.150 nan 0.000 0.421 191 R N 0.536 121.063 120.500 0.044 0.000 2.316 191 R HA 0.293 4.633 4.340 0.001 0.000 0.314 191 R C -0.615 175.738 176.300 0.088 0.000 1.069 191 R CA -0.236 55.910 56.100 0.078 0.000 0.959 191 R CB 0.435 30.747 30.300 0.019 0.000 0.987 191 R HN 0.588 nan 8.270 nan 0.000 0.446 192 L N 5.520 126.872 121.223 0.215 0.000 2.361 192 L HA 0.300 4.640 4.340 0.001 0.000 0.278 192 L C -0.606 176.368 176.870 0.173 0.000 1.113 192 L CA -0.075 54.882 54.840 0.195 0.000 0.849 192 L CB 0.393 42.525 42.059 0.122 0.000 1.155 192 L HN 0.587 nan 8.230 nan 0.000 0.452 193 I N 4.672 125.346 120.570 0.174 0.000 2.447 193 I HA 0.363 4.534 4.170 0.001 0.000 0.287 193 I C -0.331 175.919 176.117 0.220 0.000 1.023 193 I CA -0.224 61.175 61.300 0.165 0.000 1.083 193 I CB 2.029 40.080 38.000 0.085 0.000 1.245 193 I HN 0.486 nan 8.210 nan 0.000 0.434 194 T N 4.405 119.112 114.554 0.255 0.000 2.982 194 T HA 0.299 4.650 4.350 0.001 0.000 0.321 194 T C -0.207 174.620 174.700 0.212 0.000 1.229 194 T CA -0.407 61.819 62.100 0.211 0.000 1.044 194 T CB 0.783 69.773 68.868 0.203 0.000 1.184 194 T HN 0.688 nan 8.240 nan 0.000 0.477 195 N N 2.017 120.790 118.700 0.122 0.000 2.725 195 N HA -0.205 4.536 4.740 0.001 0.000 0.249 195 N C 0.864 176.419 175.510 0.075 0.000 1.103 195 N CA 1.809 54.918 53.050 0.099 0.000 0.707 195 N CB -1.485 37.082 38.487 0.133 0.000 1.043 195 N HN 1.574 nan 8.380 nan 0.000 0.553 196 G N -2.344 106.490 108.800 0.057 0.000 2.168 196 G HA2 -0.168 3.792 3.960 0.001 0.000 0.257 196 G HA3 -0.168 3.792 3.960 0.001 0.000 0.257 196 G C 0.110 175.003 174.900 -0.012 0.000 0.997 196 G CA 1.571 46.684 45.100 0.022 0.000 0.708 196 G HN 1.059 nan 8.290 nan 0.000 0.520 197 K N -0.061 120.331 120.400 -0.013 0.000 2.371 197 K HA 0.704 5.024 4.320 0.001 0.000 0.251 197 K C -0.623 175.822 176.600 -0.258 0.000 0.934 197 K CA -0.259 55.911 56.287 -0.195 0.000 0.798 197 K CB 1.601 33.888 32.500 -0.355 0.000 1.204 197 K HN 0.250 nan 8.250 nan 0.000 0.427 198 D N 1.463 121.670 120.400 -0.321 0.000 2.317 198 D HA 0.243 4.883 4.640 0.001 0.000 0.234 198 D C -0.721 175.362 176.300 -0.362 0.000 1.112 198 D CA -0.115 53.759 54.000 -0.210 0.000 0.840 198 D CB 0.635 41.363 40.800 -0.119 0.000 1.078 198 D HN 0.528 nan 8.370 nan 0.000 0.486 199 Y N 2.430 122.647 120.300 -0.139 0.000 2.625 199 Y HA 0.345 4.896 4.550 0.001 0.000 0.285 199 Y C 1.538 177.420 175.900 -0.029 0.000 1.168 199 Y CA 0.255 58.210 58.100 -0.242 0.000 1.250 199 Y CB 0.379 38.358 38.460 -0.802 0.000 1.130 199 Y HN 0.660 nan 8.280 nan 0.000 0.526 200 G N 0.375 109.238 108.800 0.105 0.000 2.698 200 G HA2 -0.209 3.751 3.960 0.001 0.000 0.225 200 G HA3 -0.209 3.751 3.960 0.001 0.000 0.225 200 G C -0.812 174.183 174.900 0.158 0.000 1.345 200 G CA -0.932 44.222 45.100 0.090 0.000 0.871 200 G HN -0.019 nan 8.290 nan 0.000 0.540 201 I N 1.684 122.266 120.570 0.019 0.000 2.441 201 I HA 0.478 4.649 4.170 0.001 0.000 0.287 201 I C 0.682 176.718 176.117 -0.135 0.000 1.049 201 I CA 0.262 61.594 61.300 0.053 0.000 1.381 201 I CB 0.288 38.314 38.000 0.043 0.000 1.409 201 I HN 0.561 nan 8.210 nan 0.000 0.523 202 H N 2.283 121.467 119.070 0.189 0.000 2.946 202 H HA 0.651 5.207 4.556 0.001 0.000 0.365 202 H C 0.238 175.428 175.328 -0.230 0.000 1.197 202 H CA -0.650 55.389 56.048 -0.015 0.000 1.131 202 H CB 1.811 31.445 29.762 -0.214 0.000 1.849 202 H HN 0.708 nan 8.280 nan 0.000 0.555 203 G N 0.727 109.211 108.800 -0.528 0.000 2.332 203 G HA2 0.511 4.472 3.960 0.001 0.000 0.310 203 G HA3 0.511 4.472 3.960 0.001 0.000 0.310 203 G C -1.379 172.952 174.900 -0.948 0.000 1.123 203 G CA -0.277 44.218 45.100 -1.009 0.000 0.873 203 G HN 0.278 nan 8.290 nan 0.000 0.460 204 F N 1.250 120.881 119.950 -0.531 0.000 2.529 204 F HA 0.436 4.964 4.527 0.001 0.000 0.320 204 F C 0.399 175.992 175.800 -0.346 0.000 1.118 204 F CA -0.974 56.786 58.000 -0.399 0.000 0.915 204 F CB 1.966 40.722 39.000 -0.406 0.000 1.161 204 F HN 0.221 nan 8.300 nan 0.000 0.445 205 I N 3.830 124.282 120.570 -0.197 0.000 2.496 205 I HA 0.381 4.552 4.170 0.001 0.000 0.285 205 I C -0.618 175.438 176.117 -0.102 0.000 1.080 205 I CA -0.374 60.763 61.300 -0.272 0.000 1.404 205 I CB 0.793 38.366 38.000 -0.712 0.000 1.403 205 I HN 0.248 nan 8.210 nan 0.000 0.539 206 V N 6.149 126.058 119.914 -0.007 0.000 2.733 206 V HA 0.228 4.349 4.120 0.001 0.000 0.306 206 V C -0.289 175.853 176.094 0.080 0.000 1.084 206 V CA -0.756 61.584 62.300 0.066 0.000 0.905 206 V CB 1.830 33.706 31.823 0.088 0.000 1.010 206 V HN 0.696 nan 8.190 nan 0.000 0.424 207 Q N 2.561 122.388 119.800 0.046 0.000 2.286 207 Q HA 0.472 4.813 4.340 0.001 0.000 0.257 207 Q C 0.008 175.904 176.000 -0.173 0.000 0.941 207 Q CA -0.231 55.418 55.803 -0.257 0.000 0.912 207 Q CB 1.235 29.859 28.738 -0.191 0.000 1.192 207 Q HN 0.773 nan 8.270 nan 0.000 0.410 208 L N 2.595 123.661 121.223 -0.262 0.000 2.388 208 L HA 0.303 4.643 4.340 0.001 0.000 0.209 208 L C 0.622 177.358 176.870 -0.224 0.000 1.061 208 L CA 0.327 55.055 54.840 -0.186 0.000 0.834 208 L CB 0.210 42.154 42.059 -0.190 0.000 1.029 208 L HN 0.483 nan 8.230 nan 0.000 0.473 209 R N -0.402 119.921 120.500 -0.295 0.000 2.807 209 R HA 0.384 4.725 4.340 0.001 0.000 0.276 209 R C -0.464 175.712 176.300 -0.208 0.000 0.979 209 R CA -0.512 55.412 56.100 -0.293 0.000 0.928 209 R CB 2.231 32.218 30.300 -0.520 0.000 1.191 209 R HN -0.103 nan 8.270 nan 0.000 0.471 210 S N 1.179 116.801 115.700 -0.130 0.000 2.562 210 S HA 0.111 4.581 4.470 0.001 0.000 0.281 210 S C 0.969 175.569 174.600 -0.000 0.000 1.333 210 S CA -0.486 57.687 58.200 -0.046 0.000 1.052 210 S CB 0.395 63.583 63.200 -0.019 0.000 0.884 210 S HN 0.553 nan 8.310 nan 0.000 0.506 211 L N 3.469 124.718 121.223 0.043 0.000 2.612 211 L HA 0.175 4.515 4.340 0.001 0.000 0.230 211 L C 1.650 178.558 176.870 0.064 0.000 1.140 211 L CA 0.132 55.019 54.840 0.079 0.000 0.896 211 L CB -0.272 41.850 42.059 0.104 0.000 1.065 211 L HN 0.645 nan 8.230 nan 0.000 0.447 212 E N 0.476 120.706 120.200 0.050 0.000 2.228 212 E HA -0.040 4.311 4.350 0.001 0.000 0.197 212 E C 0.711 177.337 176.600 0.043 0.000 0.909 212 E CA 0.930 57.354 56.400 0.039 0.000 0.911 212 E CB 0.304 30.021 29.700 0.029 0.000 0.887 212 E HN 0.558 nan 8.360 nan 0.000 0.481 213 D N -2.522 117.908 120.400 0.050 0.000 2.520 213 D HA 0.068 4.709 4.640 0.001 0.000 0.223 213 D C 0.249 176.621 176.300 0.121 0.000 1.186 213 D CA -0.203 53.832 54.000 0.060 0.000 0.821 213 D CB -0.072 40.748 40.800 0.035 0.000 1.072 213 D HN 0.060 nan 8.370 nan 0.000 0.518 214 H N -0.068 118.985 119.070 -0.027 0.000 3.211 214 H HA -0.212 4.345 4.556 0.001 0.000 0.240 214 H C -0.500 174.797 175.328 -0.051 0.000 1.148 214 H CA 0.524 56.547 56.048 -0.043 0.000 1.160 214 H CB -1.804 27.931 29.762 -0.044 0.000 1.232 214 H HN 0.308 nan 8.280 nan 0.000 0.321 215 S N 0.008 115.688 115.700 -0.033 0.000 2.564 215 S HA 0.452 4.923 4.470 0.001 0.000 0.278 215 S C -2.471 172.057 174.600 -0.120 0.000 1.333 215 S CA -1.036 57.127 58.200 -0.062 0.000 1.048 215 S CB 1.945 65.130 63.200 -0.025 0.000 0.900 215 S HN 0.191 nan 8.310 nan 0.000 0.505 216 P HA 0.143 nan 4.420 nan 0.000 0.267 216 P C -0.232 177.014 177.300 -0.089 0.000 1.205 216 P CA -0.134 62.884 63.100 -0.136 0.000 0.765 216 P CB 0.296 31.921 31.700 -0.125 0.000 0.828 217 L N 5.578 126.749 121.223 -0.087 0.000 2.476 217 L HA 0.155 4.495 4.340 0.001 0.000 0.264 217 L C -1.740 175.118 176.870 -0.019 0.000 1.224 217 L CA -1.781 53.033 54.840 -0.043 0.000 0.821 217 L CB -0.520 41.520 42.059 -0.032 0.000 1.101 217 L HN 0.220 nan 8.230 nan 0.000 0.488 218 P HA -0.039 nan 4.420 nan 0.000 0.263 218 P C -0.254 177.069 177.300 0.039 0.000 1.175 218 P CA 0.418 63.531 63.100 0.021 0.000 0.761 218 P CB 0.199 31.917 31.700 0.031 0.000 0.794 219 N N 0.016 118.739 118.700 0.039 0.000 2.753 219 N HA -0.156 4.585 4.740 0.001 0.000 0.251 219 N C -0.504 175.024 175.510 0.031 0.000 1.097 219 N CA 0.914 54.000 53.050 0.060 0.000 0.786 219 N CB -1.131 37.424 38.487 0.112 0.000 1.137 219 N HN 0.354 nan 8.380 nan 0.000 0.566 220 I N 1.515 122.074 120.570 -0.019 0.000 2.321 220 I HA 0.197 4.368 4.170 0.001 0.000 0.291 220 I C 0.491 176.536 176.117 -0.119 0.000 0.998 220 I CA 0.070 61.308 61.300 -0.104 0.000 1.227 220 I CB 1.479 39.413 38.000 -0.111 0.000 1.368 220 I HN -0.179 nan 8.210 nan 0.000 0.466 221 T N 6.114 120.577 114.554 -0.152 0.000 2.770 221 T HA 0.550 4.901 4.350 0.001 0.000 0.283 221 T C -0.405 174.213 174.700 -0.137 0.000 0.988 221 T CA -0.445 61.611 62.100 -0.073 0.000 0.957 221 T CB 1.860 70.739 68.868 0.017 0.000 0.930 221 T HN 0.396 nan 8.240 nan 0.000 0.443 222 V N 2.468 122.251 119.914 -0.220 0.000 2.971 222 V HA 0.991 5.112 4.120 0.001 0.000 0.309 222 V C -0.495 175.140 176.094 -0.766 0.000 1.130 222 V CA 0.030 62.021 62.300 -0.514 0.000 0.964 222 V CB 1.966 33.550 31.823 -0.398 0.000 1.029 222 V HN 1.095 nan 8.190 nan 0.000 0.427 223 G N 3.355 111.299 108.800 -1.427 0.000 2.441 223 G HA2 0.417 4.378 3.960 0.001 0.000 0.294 223 G HA3 0.417 4.378 3.960 0.001 0.000 0.294 223 G C -1.967 172.302 174.900 -1.053 0.000 1.393 223 G CA -0.304 44.125 45.100 -1.117 0.000 0.796 223 G HN 0.929 nan 8.290 nan 0.000 0.494 224 D N -0.901 119.196 120.400 -0.505 0.000 2.255 224 D HA 0.397 5.038 4.640 0.001 0.000 0.249 224 D C 1.901 178.060 176.300 -0.235 0.000 1.078 224 D CA -0.496 53.281 54.000 -0.373 0.000 0.896 224 D CB 1.013 41.628 40.800 -0.308 0.000 1.194 224 D HN 0.462 nan 8.370 nan 0.000 0.429 225 I N 0.436 120.761 120.570 -0.408 0.000 3.428 225 I HA 0.397 4.568 4.170 0.001 0.000 0.286 225 I C 0.908 176.860 176.117 -0.274 0.000 1.287 225 I CA 0.035 60.996 61.300 -0.565 0.000 1.396 225 I CB -0.692 36.538 38.000 -1.283 0.000 1.062 225 I HN 0.483 nan 8.210 nan 0.000 0.471 226 G N 0.703 109.393 108.800 -0.184 0.000 2.408 226 G HA2 -0.110 3.851 3.960 0.001 0.000 0.682 226 G HA3 -0.110 3.851 3.960 0.001 0.000 0.682 226 G C -0.463 174.410 174.900 -0.046 0.000 1.303 226 G CA -0.478 44.574 45.100 -0.080 0.000 0.966 226 G HN 0.145 nan 8.290 nan 0.000 0.560 227 T N 1.470 116.026 114.554 0.003 0.000 2.930 227 T HA 0.471 4.822 4.350 0.001 0.000 0.306 227 T C 0.682 175.431 174.700 0.080 0.000 1.045 227 T CA 0.496 62.620 62.100 0.040 0.000 1.134 227 T CB 0.663 69.556 68.868 0.042 0.000 0.961 227 T HN 0.626 nan 8.240 nan 0.000 0.545 228 K N 1.497 121.969 120.400 0.120 0.000 2.313 228 K HA 0.504 4.824 4.320 0.001 0.000 0.235 228 K C 0.140 176.830 176.600 0.149 0.000 1.035 228 K CA -0.988 55.401 56.287 0.170 0.000 0.868 228 K CB 1.315 33.958 32.500 0.239 0.000 1.232 228 K HN 0.544 nan 8.250 nan 0.000 0.459 229 M N 1.518 121.206 119.600 0.145 0.000 2.248 229 M HA 0.069 4.549 4.480 0.001 0.000 0.343 229 M C 0.130 176.512 176.300 0.136 0.000 1.243 229 M CA 1.597 56.972 55.300 0.125 0.000 1.025 229 M CB -0.348 32.310 32.600 0.097 0.000 1.759 229 M HN 0.797 nan 8.290 nan 0.000 0.452 230 G N 3.928 112.811 108.800 0.138 0.000 2.705 230 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 230 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 230 G C -1.001 173.989 174.900 0.150 0.000 1.285 230 G CA -0.864 44.330 45.100 0.157 0.000 0.800 230 G HN 0.864 nan 8.290 nan 0.000 0.611 231 N N 1.721 120.528 118.700 0.177 0.000 2.411 231 N HA 0.495 5.236 4.740 0.001 0.000 0.259 231 N C 1.253 176.878 175.510 0.193 0.000 1.103 231 N CA 1.498 54.625 53.050 0.128 0.000 0.954 231 N CB 1.125 39.651 38.487 0.065 0.000 1.085 231 N HN 1.973 nan 8.380 nan 0.000 0.485 232 G N 2.515 111.387 108.800 0.119 0.000 2.652 232 G HA2 -0.200 3.760 3.960 0.001 0.000 0.278 232 G HA3 -0.200 3.760 3.960 0.001 0.000 0.278 232 G C 0.419 175.412 174.900 0.155 0.000 1.263 232 G CA 0.642 45.826 45.100 0.139 0.000 0.966 232 G HN 1.177 nan 8.290 nan 0.000 0.544 233 A N -1.923 120.996 122.820 0.164 0.000 5.318 233 A HA -0.278 4.043 4.320 0.001 0.000 0.329 233 A C 1.351 179.011 177.584 0.128 0.000 1.789 233 A CA 3.019 55.151 52.037 0.159 0.000 0.711 233 A CB -1.499 17.630 19.000 0.215 0.000 1.398 233 A HN 2.113 nan 8.150 nan 0.000 0.392 234 Y N 1.658 122.017 120.300 0.098 0.000 2.583 234 Y HA 0.032 4.582 4.550 0.001 0.000 0.293 234 Y C 2.176 178.148 175.900 0.120 0.000 1.157 234 Y CA 1.139 59.305 58.100 0.110 0.000 1.315 234 Y CB -0.011 38.525 38.460 0.128 0.000 1.021 234 Y HN 0.515 nan 8.280 nan 0.000 0.536 235 N N -0.625 118.205 118.700 0.217 0.000 2.585 235 N HA -0.125 4.616 4.740 0.001 0.000 0.188 235 N C 1.728 177.336 175.510 0.164 0.000 1.102 235 N CA 1.269 54.418 53.050 0.165 0.000 0.920 235 N CB -0.158 38.404 38.487 0.125 0.000 0.963 235 N HN 0.392 nan 8.380 nan 0.000 0.447 236 S N -0.746 115.041 115.700 0.145 0.000 2.528 236 S HA 0.093 4.564 4.470 0.001 0.000 0.219 236 S C 0.815 175.559 174.600 0.239 0.000 0.985 236 S CA -0.161 58.139 58.200 0.165 0.000 0.914 236 S CB 0.132 63.367 63.200 0.059 0.000 0.776 236 S HN 0.126 nan 8.310 nan 0.000 0.526 237 M N 4.127 123.842 119.600 0.191 0.000 2.233 237 M HA 0.269 4.749 4.480 0.001 0.000 0.355 237 M C -1.070 175.376 176.300 0.243 0.000 1.191 237 M CA -0.647 54.788 55.300 0.225 0.000 1.101 237 M CB 1.086 33.798 32.600 0.188 0.000 1.592 237 M HN 0.161 nan 8.290 nan 0.000 0.461 238 D N 3.117 123.674 120.400 0.263 0.000 2.631 238 D HA 0.117 4.757 4.640 0.001 0.000 0.227 238 D C -1.028 175.272 176.300 -0.000 0.000 1.146 238 D CA -0.193 53.831 54.000 0.040 0.000 1.009 238 D CB -0.997 39.794 40.800 -0.015 0.000 1.057 238 D HN 0.579 nan 8.370 nan 0.000 0.509 239 N N 0.368 119.074 118.700 0.010 0.000 2.483 239 N HA 0.446 5.186 4.740 0.001 0.000 0.264 239 N C 0.425 175.780 175.510 -0.259 0.000 1.197 239 N CA 0.265 53.299 53.050 -0.028 0.000 0.927 239 N CB 1.294 39.819 38.487 0.062 0.000 1.065 239 N HN 0.519 nan 8.380 nan 0.000 0.461 240 G N 0.365 108.996 108.800 -0.282 0.000 3.015 240 G HA2 0.697 4.657 3.960 0.001 0.000 0.281 240 G HA3 0.697 4.657 3.960 0.001 0.000 0.281 240 G C -1.391 173.242 174.900 -0.444 0.000 1.386 240 G CA -0.755 44.071 45.100 -0.455 0.000 0.959 240 G HN 0.465 nan 8.290 nan 0.000 0.522 241 F N -1.643 118.047 119.950 -0.432 0.000 2.598 241 F HA 0.914 5.441 4.527 0.001 0.000 0.327 241 F C -1.115 174.570 175.800 -0.192 0.000 1.057 241 F CA -1.832 55.994 58.000 -0.291 0.000 0.957 241 F CB 2.192 41.023 39.000 -0.282 0.000 1.278 241 F HN 0.534 nan 8.300 nan 0.000 0.484 242 L N 2.493 123.774 121.223 0.097 0.000 2.565 242 L HA 0.659 5.000 4.340 0.001 0.000 0.261 242 L C -1.894 174.851 176.870 -0.208 0.000 0.932 242 L CA -0.705 54.036 54.840 -0.165 0.000 0.878 242 L CB 2.187 44.072 42.059 -0.290 0.000 1.333 242 L HN 0.868 nan 8.230 nan 0.000 0.409 243 M N 4.640 124.040 119.600 -0.333 0.000 2.464 243 M HA 0.592 5.073 4.480 0.001 0.000 0.308 243 M C -1.546 174.455 176.300 -0.498 0.000 1.127 243 M CA -0.263 54.863 55.300 -0.290 0.000 0.913 243 M CB 2.283 34.836 32.600 -0.078 0.000 1.689 243 M HN 0.412 nan 8.290 nan 0.000 0.445 244 F N 0.282 120.184 119.950 -0.081 0.000 2.482 244 F HA 0.360 4.887 4.527 0.001 0.000 0.331 244 F C 0.002 175.747 175.800 -0.092 0.000 1.115 244 F CA -0.863 57.096 58.000 -0.068 0.000 0.955 244 F CB 1.190 40.150 39.000 -0.066 0.000 1.136 244 F HN 0.423 nan 8.300 nan 0.000 0.452 245 D N 2.142 122.656 120.400 0.189 0.000 2.514 245 D HA 0.215 4.856 4.640 0.001 0.000 0.267 245 D C -0.385 176.108 176.300 0.322 0.000 1.165 245 D CA -0.425 53.712 54.000 0.229 0.000 0.958 245 D CB -0.592 40.317 40.800 0.181 0.000 0.992 245 D HN 0.639 nan 8.370 nan 0.000 0.506 246 H N -0.074 119.266 119.070 0.450 0.000 2.692 246 H HA -0.164 4.393 4.556 0.001 0.000 0.316 246 H C -0.046 175.360 175.328 0.129 0.000 1.176 246 H CA 0.307 56.463 56.048 0.180 0.000 1.142 246 H CB -1.473 28.298 29.762 0.015 0.000 1.475 246 H HN 0.097 nan 8.280 nan 0.000 0.423 247 V N 0.750 120.797 119.914 0.222 0.000 2.655 247 V HA 0.093 4.213 4.120 0.001 0.000 0.300 247 V C 1.156 177.313 176.094 0.106 0.000 1.044 247 V CA 0.336 62.742 62.300 0.177 0.000 1.095 247 V CB 1.149 33.132 31.823 0.266 0.000 0.952 247 V HN 0.366 nan 8.190 nan 0.000 0.485 248 R N 4.825 125.385 120.500 0.099 0.000 2.460 248 R HA 0.780 5.120 4.340 0.001 0.000 0.303 248 R C -0.589 175.766 176.300 0.091 0.000 0.968 248 R CA -0.554 55.596 56.100 0.083 0.000 0.889 248 R CB 1.768 32.111 30.300 0.071 0.000 1.123 248 R HN 0.812 nan 8.270 nan 0.000 0.455 249 I N -1.190 119.447 120.570 0.111 0.000 2.865 249 I HA 0.618 4.789 4.170 0.001 0.000 0.302 249 I C -2.800 173.423 176.117 0.175 0.000 1.140 249 I CA -3.330 58.055 61.300 0.142 0.000 1.021 249 I CB 2.633 40.715 38.000 0.138 0.000 1.233 249 I HN 0.293 nan 8.210 nan 0.000 0.427 250 P HA 0.135 nan 4.420 nan 0.000 0.269 250 P C 0.174 177.613 177.300 0.231 0.000 1.215 250 P CA -0.210 62.986 63.100 0.159 0.000 0.780 250 P CB 0.683 32.481 31.700 0.163 0.000 0.898 251 R N 3.030 123.618 120.500 0.146 0.000 2.081 251 R HA -0.170 4.170 4.340 0.001 0.000 0.235 251 R C 1.278 177.753 176.300 0.291 0.000 1.131 251 R CA 1.984 58.194 56.100 0.184 0.000 0.960 251 R CB -0.596 29.666 30.300 -0.064 0.000 0.856 251 R HN 0.548 nan 8.270 nan 0.000 0.436 252 D N -0.162 120.348 120.400 0.184 0.000 2.390 252 D HA -0.174 4.467 4.640 0.001 0.000 0.235 252 D C 1.093 177.509 176.300 0.194 0.000 1.040 252 D CA 0.631 54.729 54.000 0.164 0.000 0.923 252 D CB -0.047 40.831 40.800 0.129 0.000 0.886 252 D HN 0.398 nan 8.370 nan 0.000 0.532 253 Q N -0.576 119.358 119.800 0.223 0.000 2.360 253 Q HA 0.164 4.504 4.340 0.001 0.000 0.202 253 Q C 0.606 176.620 176.000 0.024 0.000 0.915 253 Q CA -0.301 55.597 55.803 0.158 0.000 0.943 253 Q CB 0.181 29.032 28.738 0.188 0.000 1.064 253 Q HN 0.305 nan 8.270 nan 0.000 0.511 254 M N 1.365 120.990 119.600 0.041 0.000 2.180 254 M HA 0.241 4.722 4.480 0.001 0.000 0.358 254 M C -1.048 175.098 176.300 -0.257 0.000 1.233 254 M CA -0.454 54.688 55.300 -0.262 0.000 1.114 254 M CB 0.640 33.093 32.600 -0.246 0.000 1.594 254 M HN 0.018 nan 8.290 nan 0.000 0.467 255 L N 6.852 127.846 121.223 -0.382 0.000 2.562 255 L HA 0.073 4.414 4.340 0.001 0.000 0.271 255 L C 0.128 176.892 176.870 -0.178 0.000 1.167 255 L CA 0.594 55.289 54.840 -0.242 0.000 0.917 255 L CB -0.020 41.883 42.059 -0.260 0.000 1.187 255 L HN 0.859 nan 8.230 nan 0.000 0.482 256 M N 3.998 123.539 119.600 -0.098 0.000 3.036 256 M HA 0.184 4.664 4.480 0.001 0.000 0.323 256 M C 1.134 177.402 176.300 -0.053 0.000 1.248 256 M CA -0.016 55.240 55.300 -0.074 0.000 0.819 256 M CB 0.610 33.176 32.600 -0.056 0.000 1.361 256 M HN 0.554 nan 8.290 nan 0.000 0.510 257 R N 0.728 121.202 120.500 -0.044 0.000 2.112 257 R HA 0.135 4.475 4.340 0.001 0.000 0.216 257 R C 1.367 177.649 176.300 -0.030 0.000 1.080 257 R CA 1.022 57.103 56.100 -0.031 0.000 0.996 257 R CB 0.389 30.677 30.300 -0.021 0.000 0.902 257 R HN 0.455 nan 8.270 nan 0.000 0.449 258 L N 0.129 121.339 121.223 -0.021 0.000 2.354 258 L HA 0.156 4.497 4.340 0.001 0.000 0.212 258 L C 0.555 177.405 176.870 -0.034 0.000 1.091 258 L CA 0.212 55.045 54.840 -0.012 0.000 0.828 258 L CB 0.344 42.413 42.059 0.016 0.000 0.973 258 L HN 0.135 nan 8.230 nan 0.000 0.461 259 S N -0.238 115.429 115.700 -0.054 0.000 2.552 259 S HA 0.545 5.015 4.470 0.001 0.000 0.272 259 S C -1.159 173.324 174.600 -0.194 0.000 1.150 259 S CA -1.006 57.084 58.200 -0.184 0.000 0.849 259 S CB 2.511 65.604 63.200 -0.178 0.000 1.113 259 S HN 0.185 nan 8.310 nan 0.000 0.458 260 K N 0.124 120.346 120.400 -0.297 0.000 2.466 260 K HA 0.821 5.141 4.320 0.001 0.000 0.260 260 K C -1.683 174.812 176.600 -0.175 0.000 1.011 260 K CA -1.163 55.018 56.287 -0.177 0.000 0.871 260 K CB 2.012 34.442 32.500 -0.116 0.000 1.404 260 K HN 0.436 nan 8.250 nan 0.000 0.450 261 V N 1.874 121.768 119.914 -0.034 0.000 2.380 261 V HA 0.167 4.288 4.120 0.001 0.000 0.286 261 V C 0.174 176.266 176.094 -0.005 0.000 1.015 261 V CA -0.671 61.639 62.300 0.017 0.000 0.834 261 V CB 1.218 33.154 31.823 0.188 0.000 1.009 261 V HN 1.038 nan 8.190 nan 0.000 0.428 262 T N 2.039 116.571 114.554 -0.037 0.000 2.680 262 T HA 0.097 4.448 4.350 0.001 0.000 0.314 262 T C 1.245 175.920 174.700 -0.042 0.000 1.045 262 T CA 0.011 62.089 62.100 -0.036 0.000 1.025 262 T CB 0.798 69.642 68.868 -0.039 0.000 1.000 262 T HN 0.521 nan 8.240 nan 0.000 0.535 263 R N 0.614 121.091 120.500 -0.040 0.000 2.152 263 R HA -0.052 4.288 4.340 0.001 0.000 0.232 263 R C 1.881 178.151 176.300 -0.049 0.000 1.117 263 R CA 1.513 57.583 56.100 -0.049 0.000 0.981 263 R CB -1.029 29.250 30.300 -0.035 0.000 0.870 263 R HN 0.794 nan 8.270 nan 0.000 0.451 264 E N -0.919 119.259 120.200 -0.036 0.000 2.347 264 E HA 0.125 4.476 4.350 0.001 0.000 0.196 264 E C 1.065 177.649 176.600 -0.026 0.000 1.008 264 E CA 1.070 57.454 56.400 -0.027 0.000 0.852 264 E CB -0.065 29.625 29.700 -0.018 0.000 0.783 264 E HN 0.526 nan 8.360 nan 0.000 0.505 265 G N 0.238 109.017 108.800 -0.036 0.000 2.141 265 G HA2 -0.229 3.732 3.960 0.001 0.000 0.231 265 G HA3 -0.229 3.732 3.960 0.001 0.000 0.231 265 G C -0.275 174.629 174.900 0.007 0.000 0.984 265 G CA -0.099 44.985 45.100 -0.026 0.000 0.660 265 G HN 0.118 nan 8.290 nan 0.000 0.525 266 E N -0.338 119.859 120.200 -0.005 0.000 2.283 266 E HA 0.420 4.771 4.350 0.001 0.000 0.278 266 E C -0.367 176.207 176.600 -0.043 0.000 1.027 266 E CA -0.849 55.550 56.400 -0.002 0.000 0.843 266 E CB 1.206 30.901 29.700 -0.007 0.000 1.062 266 E HN 0.311 nan 8.360 nan 0.000 0.401 267 Y N 2.146 122.281 120.300 -0.275 0.000 2.359 267 Y HA 0.244 4.795 4.550 0.001 0.000 0.334 267 Y C -0.608 175.140 175.900 -0.252 0.000 1.058 267 Y CA -0.406 57.430 58.100 -0.440 0.000 1.244 267 Y CB 0.700 38.458 38.460 -1.170 0.000 1.187 267 Y HN 0.138 nan 8.280 nan 0.000 0.510 268 V N 9.245 128.736 119.914 -0.705 0.000 2.398 268 V HA 0.293 4.414 4.120 0.001 0.000 0.282 268 V C -2.457 173.291 176.094 -0.576 0.000 1.014 268 V CA -1.968 60.042 62.300 -0.483 0.000 0.838 268 V CB 1.428 33.101 31.823 -0.250 0.000 1.018 268 V HN 0.725 nan 8.190 nan 0.000 0.432 269 P HA 0.185 nan 4.420 nan 0.000 0.265 269 P C 0.266 177.464 177.300 -0.170 0.000 1.222 269 P CA 0.484 63.408 63.100 -0.294 0.000 0.767 269 P CB 0.482 32.123 31.700 -0.098 0.000 0.801 270 S N 2.500 118.113 115.700 -0.145 0.000 2.572 270 S HA -0.040 4.431 4.470 0.001 0.000 0.267 270 S C 1.194 175.758 174.600 -0.060 0.000 1.361 270 S CA 0.074 58.219 58.200 -0.092 0.000 1.009 270 S CB 0.140 63.297 63.200 -0.072 0.000 0.888 270 S HN 0.575 nan 8.310 nan 0.000 0.553 271 D N -0.156 120.217 120.400 -0.045 0.000 2.336 271 D HA -0.010 4.631 4.640 0.001 0.000 0.229 271 D C 0.471 176.759 176.300 -0.020 0.000 1.061 271 D CA -0.137 53.845 54.000 -0.031 0.000 0.875 271 D CB -0.459 40.327 40.800 -0.025 0.000 0.904 271 D HN 0.193 nan 8.370 nan 0.000 0.525 272 V N 1.234 121.136 119.914 -0.020 0.000 2.614 272 V HA 0.228 4.349 4.120 0.001 0.000 0.291 272 V C -2.216 173.875 176.094 -0.006 0.000 1.049 272 V CA -1.531 60.765 62.300 -0.007 0.000 1.038 272 V CB 0.856 32.674 31.823 -0.008 0.000 0.980 272 V HN -0.067 nan 8.190 nan 0.000 0.481 273 P HA 0.275 nan 4.420 nan 0.000 0.269 273 P C 0.479 177.784 177.300 0.008 0.000 1.252 273 P CA 0.291 63.397 63.100 0.009 0.000 0.780 273 P CB 0.543 32.309 31.700 0.109 0.000 0.829 274 K N 2.136 122.520 120.400 -0.027 0.000 2.442 274 K HA -0.117 4.204 4.320 0.001 0.000 0.198 274 K C 2.015 178.611 176.600 -0.007 0.000 1.042 274 K CA 2.052 58.330 56.287 -0.017 0.000 0.958 274 K CB -1.518 30.965 32.500 -0.028 0.000 0.766 274 K HN 0.546 nan 8.250 nan 0.000 0.474 275 Q N -0.717 119.081 119.800 -0.004 0.000 2.500 275 Q HA 0.438 4.779 4.340 0.001 0.000 0.213 275 Q C 2.168 178.233 176.000 0.107 0.000 0.974 275 Q CA 1.360 57.197 55.803 0.057 0.000 0.918 275 Q CB -0.993 27.811 28.738 0.110 0.000 0.980 275 Q HN 1.128 nan 8.270 nan 0.000 0.505 276 L N -1.070 120.202 121.223 0.081 0.000 2.653 276 L HA 0.768 5.109 4.340 0.001 0.000 0.232 276 L C 2.145 179.039 176.870 0.041 0.000 1.169 276 L CA 0.947 55.822 54.840 0.058 0.000 0.951 276 L CB -0.970 41.117 42.059 0.046 0.000 1.181 276 L HN 0.722 nan 8.230 nan 0.000 0.460 277 V N -2.870 117.066 119.914 0.037 0.000 3.602 277 V HA 0.227 4.347 4.120 0.001 0.000 0.289 277 V C 2.039 178.162 176.094 0.047 0.000 1.265 277 V CA 1.181 63.502 62.300 0.034 0.000 1.202 277 V CB -1.820 30.012 31.823 0.016 0.000 1.012 277 V HN 0.872 nan 8.190 nan 0.000 0.431 278 Y N -0.272 120.067 120.300 0.065 0.000 2.619 278 Y HA 0.325 4.876 4.550 0.001 0.000 0.308 278 Y C 1.962 177.954 175.900 0.153 0.000 1.192 278 Y CA 0.857 59.017 58.100 0.099 0.000 1.319 278 Y CB -0.546 37.973 38.460 0.098 0.000 1.030 278 Y HN 0.490 nan 8.280 nan 0.000 0.517 279 G N -1.380 107.493 108.800 0.121 0.000 2.920 279 G HA2 0.252 4.213 3.960 0.001 0.000 0.208 279 G HA3 0.252 4.213 3.960 0.001 0.000 0.208 279 G C 1.183 176.143 174.900 0.100 0.000 1.159 279 G CA 1.241 46.416 45.100 0.126 0.000 0.784 279 G HN 0.802 nan 8.290 nan 0.000 0.535 280 T N -0.911 113.687 114.554 0.073 0.000 3.043 280 T HA 0.574 4.924 4.350 0.001 0.000 0.272 280 T C 1.247 175.967 174.700 0.032 0.000 0.990 280 T CA -0.088 62.033 62.100 0.035 0.000 0.897 280 T CB -0.015 68.861 68.868 0.013 0.000 1.111 280 T HN 0.153 nan 8.240 nan 0.000 0.529 281 M N 0.445 120.082 119.600 0.061 0.000 2.541 281 M HA 0.232 4.712 4.480 0.001 0.000 0.429 281 M C 0.283 176.633 176.300 0.084 0.000 1.133 281 M CA 0.216 55.557 55.300 0.068 0.000 0.902 281 M CB 1.519 34.171 32.600 0.087 0.000 1.712 281 M HN 0.097 nan 8.290 nan 0.000 0.577 282 V N -1.364 118.607 119.914 0.095 0.000 3.177 282 V HA -0.017 4.104 4.120 0.001 0.000 0.219 282 V C 1.359 177.473 176.094 0.033 0.000 1.344 282 V CA 0.438 62.803 62.300 0.109 0.000 1.324 282 V CB -0.169 31.785 31.823 0.220 0.000 1.165 282 V HN 0.438 nan 8.190 nan 0.000 0.510 283 Y N 1.479 121.667 120.300 -0.188 0.000 2.243 283 Y HA -0.086 4.465 4.550 0.001 0.000 0.293 283 Y C 2.177 177.928 175.900 -0.249 0.000 1.124 283 Y CA 1.990 59.803 58.100 -0.477 0.000 1.159 283 Y CB -0.223 37.742 38.460 -0.825 0.000 1.008 283 Y HN 0.011 nan 8.280 nan 0.000 0.527 284 V N 1.138 120.943 119.914 -0.181 0.000 2.287 284 V HA -0.320 3.801 4.120 0.001 0.000 0.248 284 V C 2.328 178.302 176.094 -0.199 0.000 1.053 284 V CA 2.429 64.603 62.300 -0.210 0.000 1.027 284 V CB -0.669 31.120 31.823 -0.056 0.000 0.646 284 V HN 0.330 nan 8.190 nan 0.000 0.447 285 R N -0.379 120.050 120.500 -0.119 0.000 2.189 285 R HA -0.111 4.230 4.340 0.001 0.000 0.218 285 R C 2.385 178.613 176.300 -0.119 0.000 1.074 285 R CA 0.751 56.801 56.100 -0.083 0.000 0.991 285 R CB -0.272 30.009 30.300 -0.033 0.000 0.883 285 R HN 0.466 nan 8.270 nan 0.000 0.457 286 Q N 0.743 120.430 119.800 -0.189 0.000 2.172 286 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 286 Q C 1.779 177.639 176.000 -0.233 0.000 0.964 286 Q CA 2.103 57.794 55.803 -0.187 0.000 0.855 286 Q CB 0.041 28.652 28.738 -0.212 0.000 0.918 286 Q HN 0.405 nan 8.270 nan 0.000 0.444 287 T N -1.781 112.567 114.554 -0.344 0.000 2.904 287 T HA -0.002 4.348 4.350 0.001 0.000 0.267 287 T C 2.076 176.687 174.700 -0.148 0.000 1.059 287 T CA 0.922 62.842 62.100 -0.300 0.000 1.137 287 T CB -0.350 68.279 68.868 -0.397 0.000 0.879 287 T HN 0.241 nan 8.240 nan 0.000 0.467 288 I N 1.018 121.525 120.570 -0.105 0.000 2.252 288 I HA -0.102 4.068 4.170 0.001 0.000 0.245 288 I C 2.674 178.783 176.117 -0.013 0.000 1.102 288 I CA 0.841 62.132 61.300 -0.015 0.000 1.385 288 I CB -0.367 37.632 38.000 -0.002 0.000 1.064 288 I HN 0.134 nan 8.210 nan 0.000 0.414 289 V N 1.046 120.926 119.914 -0.058 0.000 2.407 289 V HA -0.266 3.855 4.120 0.001 0.000 0.248 289 V C 2.675 178.736 176.094 -0.054 0.000 1.055 289 V CA 1.926 64.185 62.300 -0.068 0.000 1.049 289 V CB -0.899 30.881 31.823 -0.072 0.000 0.662 289 V HN 0.485 nan 8.190 nan 0.000 0.455 290 A N -0.184 122.587 122.820 -0.081 0.000 1.930 290 A HA -0.206 4.115 4.320 0.001 0.000 0.217 290 A C 1.958 179.507 177.584 -0.058 0.000 1.175 290 A CA 1.781 53.753 52.037 -0.109 0.000 0.627 290 A CB -0.523 18.382 19.000 -0.158 0.000 0.815 290 A HN 0.521 nan 8.150 nan 0.000 0.443 291 D N 0.247 120.645 120.400 -0.002 0.000 2.178 291 D HA -0.019 4.621 4.640 0.001 0.000 0.202 291 D C 2.151 178.540 176.300 0.149 0.000 0.974 291 D CA 1.295 55.350 54.000 0.092 0.000 0.841 291 D CB -0.351 40.542 40.800 0.155 0.000 0.953 291 D HN 0.431 nan 8.370 nan 0.000 0.478 292 A N 1.001 123.905 122.820 0.141 0.000 1.877 292 A HA -0.182 4.138 4.320 0.001 0.000 0.216 292 A C 2.362 179.997 177.584 0.085 0.000 1.186 292 A CA 2.361 54.468 52.037 0.117 0.000 0.620 292 A CB -0.731 18.337 19.000 0.114 0.000 0.822 292 A HN 0.329 nan 8.150 nan 0.000 0.443 293 S N 0.507 116.271 115.700 0.107 0.000 2.382 293 S HA -0.250 4.221 4.470 0.001 0.000 0.228 293 S C 1.792 176.460 174.600 0.114 0.000 1.027 293 S CA 1.689 59.947 58.200 0.098 0.000 0.991 293 S CB -0.795 62.357 63.200 -0.080 0.000 0.823 293 S HN 0.671 nan 8.310 nan 0.000 0.469 294 N N 2.474 121.236 118.700 0.103 0.000 2.084 294 N HA -0.018 4.723 4.740 0.001 0.000 0.190 294 N C 1.855 177.434 175.510 0.116 0.000 1.030 294 N CA 1.750 54.928 53.050 0.213 0.000 0.849 294 N CB -0.797 37.818 38.487 0.213 0.000 1.012 294 N HN 0.497 nan 8.380 nan 0.000 0.423 295 A N 0.213 123.031 122.820 -0.004 0.000 1.902 295 A HA -0.055 4.265 4.320 0.001 0.000 0.217 295 A C 2.158 179.635 177.584 -0.178 0.000 1.181 295 A CA 1.289 53.233 52.037 -0.155 0.000 0.623 295 A CB -0.972 17.746 19.000 -0.471 0.000 0.818 295 A HN 0.414 nan 8.150 nan 0.000 0.443 296 L N 0.934 122.063 121.223 -0.157 0.000 2.046 296 L HA -0.133 4.208 4.340 0.001 0.000 0.208 296 L C 2.757 179.569 176.870 -0.097 0.000 1.077 296 L CA 2.781 57.563 54.840 -0.096 0.000 0.747 296 L CB -0.740 41.306 42.059 -0.022 0.000 0.896 296 L HN 0.515 nan 8.230 nan 0.000 0.432 297 S N -0.732 114.857 115.700 -0.184 0.000 2.382 297 S HA -0.232 4.238 4.470 0.001 0.000 0.228 297 S C 2.106 176.604 174.600 -0.171 0.000 1.027 297 S CA 1.130 58.999 58.200 -0.551 0.000 0.991 297 S CB -0.632 61.755 63.200 -1.355 0.000 0.823 297 S HN 0.531 nan 8.310 nan 0.000 0.469 298 R N 1.592 122.079 120.500 -0.023 0.000 2.073 298 R HA 0.097 4.437 4.340 0.001 0.000 0.234 298 R C 2.832 179.132 176.300 -0.000 0.000 1.134 298 R CA 1.337 57.418 56.100 -0.032 0.000 0.952 298 R CB -0.844 29.289 30.300 -0.279 0.000 0.850 298 R HN 0.564 nan 8.270 nan 0.000 0.433 299 A N 0.684 123.486 122.820 -0.029 0.000 1.877 299 A HA -0.112 4.209 4.320 0.001 0.000 0.216 299 A C 2.369 179.984 177.584 0.052 0.000 1.186 299 A CA 1.403 53.437 52.037 -0.004 0.000 0.620 299 A CB -0.580 18.414 19.000 -0.011 0.000 0.822 299 A HN 0.121 nan 8.150 nan 0.000 0.443 300 V N -0.971 118.992 119.914 0.081 0.000 2.407 300 V HA -0.293 3.827 4.120 0.001 0.000 0.248 300 V C 2.684 178.899 176.094 0.202 0.000 1.055 300 V CA 1.825 64.210 62.300 0.142 0.000 1.049 300 V CB -1.051 30.876 31.823 0.173 0.000 0.662 300 V HN 0.817 nan 8.190 nan 0.000 0.455 301 C N 0.054 119.526 119.300 0.287 0.000 2.413 301 C HA -0.182 4.278 4.460 0.001 0.000 0.276 301 C C 2.556 177.651 174.990 0.175 0.000 1.236 301 C CA 1.358 60.556 59.018 0.300 0.000 1.735 301 C CB -0.954 27.069 27.740 0.473 0.000 2.031 301 C HN 0.562 nan 8.230 nan 0.000 0.474 302 I N 1.422 122.071 120.570 0.131 0.000 2.179 302 I HA -0.136 4.035 4.170 0.001 0.000 0.242 302 I C 2.873 179.054 176.117 0.107 0.000 1.088 302 I CA 1.723 63.073 61.300 0.083 0.000 1.357 302 I CB -0.571 37.436 38.000 0.013 0.000 1.051 302 I HN 0.408 nan 8.210 nan 0.000 0.409 303 A N 0.051 122.933 122.820 0.104 0.000 1.969 303 A HA -0.163 4.158 4.320 0.001 0.000 0.218 303 A C 2.359 180.024 177.584 0.135 0.000 1.169 303 A CA 2.203 54.316 52.037 0.128 0.000 0.635 303 A CB -0.936 18.120 19.000 0.092 0.000 0.810 303 A HN 0.388 nan 8.150 nan 0.000 0.445 304 T N -0.450 114.177 114.554 0.122 0.000 2.770 304 T HA -0.097 4.254 4.350 0.001 0.000 0.263 304 T C 2.108 176.850 174.700 0.070 0.000 1.039 304 T CA 1.459 63.623 62.100 0.106 0.000 1.142 304 T CB -0.191 68.741 68.868 0.107 0.000 0.868 304 T HN 0.505 nan 8.240 nan 0.000 0.435 305 R N -0.224 120.318 120.500 0.070 0.000 2.073 305 R HA -0.076 4.265 4.340 0.001 0.000 0.234 305 R C 2.330 178.659 176.300 0.048 0.000 1.134 305 R CA 1.434 57.555 56.100 0.034 0.000 0.952 305 R CB -0.475 29.845 30.300 0.032 0.000 0.850 305 R HN 0.389 nan 8.270 nan 0.000 0.433 306 Y N 1.232 121.522 120.300 -0.016 0.000 2.274 306 Y HA -0.151 4.399 4.550 0.001 0.000 0.290 306 Y C 2.193 178.087 175.900 -0.008 0.000 1.145 306 Y CA 1.296 59.383 58.100 -0.022 0.000 1.203 306 Y CB -0.076 38.383 38.460 -0.002 0.000 0.984 306 Y HN -0.064 nan 8.280 nan 0.000 0.533 307 S N -0.258 115.412 115.700 -0.050 0.000 2.447 307 S HA -0.086 4.384 4.470 0.001 0.000 0.233 307 S C 2.072 176.584 174.600 -0.147 0.000 1.006 307 S CA 0.829 58.962 58.200 -0.113 0.000 0.957 307 S CB -0.446 62.742 63.200 -0.020 0.000 0.773 307 S HN 0.588 nan 8.310 nan 0.000 0.507 308 A N 0.287 123.039 122.820 -0.113 0.000 2.132 308 A HA 0.223 4.544 4.320 0.001 0.000 0.213 308 A C 2.023 179.525 177.584 -0.138 0.000 1.154 308 A CA 0.427 52.401 52.037 -0.104 0.000 0.753 308 A CB -0.118 18.842 19.000 -0.067 0.000 0.826 308 A HN 0.343 nan 8.150 nan 0.000 0.469 309 V N -0.274 119.521 119.914 -0.199 0.000 2.492 309 V HA 0.052 4.173 4.120 0.001 0.000 0.241 309 V C 1.316 177.255 176.094 -0.260 0.000 1.041 309 V CA 0.840 63.010 62.300 -0.217 0.000 1.057 309 V CB -0.522 31.160 31.823 -0.236 0.000 0.711 309 V HN 0.540 nan 8.190 nan 0.000 0.468 310 R N 2.045 122.269 120.500 -0.460 0.000 2.449 310 R HA 0.139 4.480 4.340 0.001 0.000 0.296 310 R C -0.177 176.038 176.300 -0.143 0.000 1.047 310 R CA 0.541 56.433 56.100 -0.346 0.000 1.018 310 R CB -0.057 29.840 30.300 -0.671 0.000 0.962 310 R HN 0.358 nan 8.270 nan 0.000 0.428 311 R N 3.312 123.794 120.500 -0.029 0.000 2.562 311 R HA 0.386 4.726 4.340 0.001 0.000 0.298 311 R C -1.029 175.282 176.300 0.019 0.000 0.961 311 R CA -0.940 55.152 56.100 -0.014 0.000 0.881 311 R CB 1.930 32.223 30.300 -0.011 0.000 1.159 311 R HN 0.497 nan 8.270 nan 0.000 0.450 312 Q N 2.625 122.472 119.800 0.078 0.000 2.313 312 Q HA 0.358 4.699 4.340 0.001 0.000 0.255 312 Q C -1.490 174.669 176.000 0.265 0.000 0.944 312 Q CA -0.325 55.502 55.803 0.039 0.000 0.881 312 Q CB 0.744 29.520 28.738 0.062 0.000 1.375 312 Q HN 0.549 nan 8.270 nan 0.000 0.422 313 F N 1.071 121.085 119.950 0.106 0.000 2.183 313 F HA -0.083 4.444 4.527 0.001 0.000 0.318 313 F C 1.241 177.129 175.800 0.147 0.000 0.251 313 F CA 1.215 59.278 58.000 0.103 0.000 0.912 313 F CB -0.829 38.214 39.000 0.072 0.000 4.135 313 F HN 0.919 nan 8.300 nan 0.000 0.137 314 G N 0.252 109.270 108.800 0.364 0.000 2.314 314 G HA2 0.248 4.208 3.960 0.001 0.000 0.292 314 G HA3 0.248 4.208 3.960 0.001 0.000 0.292 314 G C -0.225 174.755 174.900 0.133 0.000 1.059 314 G CA 0.283 45.524 45.100 0.235 0.000 0.982 314 G HN 1.736 nan 8.290 nan 0.000 0.505 320 I N 2.367 122.936 120.570 -0.002 0.000 2.752 320 I HA 0.294 4.465 4.170 0.001 0.000 0.287 320 I C 0.326 176.444 176.117 0.002 0.000 1.188 320 I CA -0.083 61.214 61.300 -0.005 0.000 1.427 320 I CB 0.762 38.755 38.000 -0.012 0.000 1.365 320 I HN 0.475 nan 8.210 nan 0.000 0.585 321 E N 4.266 124.467 120.200 0.001 0.000 2.314 321 E HA 0.231 4.582 4.350 0.001 0.000 0.262 321 E C -0.479 176.120 176.600 -0.002 0.000 1.093 321 E CA -0.598 55.813 56.400 0.019 0.000 0.908 321 E CB 0.825 30.535 29.700 0.017 0.000 1.091 321 E HN 0.552 nan 8.360 nan 0.000 0.425 322 T N 2.234 116.793 114.554 0.008 0.000 2.907 322 T HA 0.047 4.397 4.350 0.001 0.000 0.298 322 T C -0.100 174.490 174.700 -0.183 0.000 1.017 322 T CA -0.351 61.684 62.100 -0.108 0.000 1.118 322 T CB 0.543 69.303 68.868 -0.180 0.000 0.948 322 T HN 0.303 nan 8.240 nan 0.000 0.531 323 Q N 1.628 121.299 119.800 -0.215 0.000 2.311 323 Q HA 0.106 4.447 4.340 0.001 0.000 0.272 323 Q C 1.736 177.535 176.000 -0.335 0.000 1.012 323 Q CA -0.446 55.233 55.803 -0.207 0.000 0.891 323 Q CB 0.776 29.414 28.738 -0.166 0.000 1.201 323 Q HN 0.685 nan 8.270 nan 0.000 0.391 324 V N 1.385 121.171 119.914 -0.214 0.000 2.568 324 V HA -0.264 3.856 4.120 0.001 0.000 0.253 324 V C 1.595 177.582 176.094 -0.178 0.000 1.072 324 V CA 1.858 64.076 62.300 -0.137 0.000 1.084 324 V CB -0.725 31.142 31.823 0.073 0.000 0.676 324 V HN 0.903 nan 8.190 nan 0.000 0.469 325 I N 0.636 121.101 120.570 -0.175 0.000 2.700 325 I HA -0.172 3.999 4.170 0.001 0.000 0.261 325 I C 1.825 177.826 176.117 -0.194 0.000 1.219 325 I CA 1.569 62.778 61.300 -0.152 0.000 1.463 325 I CB -0.205 37.754 38.000 -0.069 0.000 1.092 325 I HN 0.291 nan 8.210 nan 0.000 0.452 326 D N -0.137 120.097 120.400 -0.276 0.000 2.317 326 D HA -0.054 4.587 4.640 0.001 0.000 0.211 326 D C 0.075 176.239 176.300 -0.226 0.000 0.966 326 D CA 0.649 54.496 54.000 -0.256 0.000 0.876 326 D CB -0.085 40.525 40.800 -0.317 0.000 0.927 326 D HN 0.337 nan 8.370 nan 0.000 0.519 327 Y N 1.014 121.260 120.300 -0.091 0.000 2.402 327 Y HA 0.043 4.594 4.550 0.001 0.000 0.333 327 Y C 1.778 177.586 175.900 -0.153 0.000 1.076 327 Y CA -0.718 57.324 58.100 -0.096 0.000 1.299 327 Y CB 0.977 39.388 38.460 -0.081 0.000 1.197 327 Y HN -0.339 nan 8.280 nan 0.000 0.517 328 K N 1.197 121.633 120.400 0.059 0.000 2.211 328 K HA -0.136 4.184 4.320 0.001 0.000 0.204 328 K C 1.848 178.393 176.600 -0.093 0.000 1.047 328 K CA 1.750 58.019 56.287 -0.030 0.000 0.935 328 K CB -0.360 32.163 32.500 0.039 0.000 0.728 328 K HN 0.832 nan 8.250 nan 0.000 0.452 329 T N -1.438 113.084 114.554 -0.053 0.000 2.812 329 T HA -0.152 4.198 4.350 0.001 0.000 0.264 329 T C 2.024 176.643 174.700 -0.135 0.000 1.042 329 T CA 0.942 62.994 62.100 -0.079 0.000 1.140 329 T CB -0.112 68.714 68.868 -0.069 0.000 0.870 329 T HN 0.035 nan 8.240 nan 0.000 0.445 330 Q N 1.314 121.041 119.800 -0.121 0.000 2.084 330 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 330 Q C 2.465 178.218 176.000 -0.412 0.000 0.978 330 Q CA 1.637 57.336 55.803 -0.174 0.000 0.844 330 Q CB -0.381 28.303 28.738 -0.090 0.000 0.898 330 Q HN 0.713 nan 8.270 nan 0.000 0.426 331 Q N -0.552 118.861 119.800 -0.644 0.000 2.079 331 Q HA -0.138 4.203 4.340 0.001 0.000 0.200 331 Q C 1.743 177.044 176.000 -1.165 0.000 0.974 331 Q CA 1.341 56.350 55.803 -1.324 0.000 0.840 331 Q CB -0.181 27.749 28.738 -1.347 0.000 0.898 331 Q HN 0.384 nan 8.270 nan 0.000 0.430 332 N N 0.372 118.614 118.700 -0.763 0.000 2.453 332 N HA -0.120 4.621 4.740 0.001 0.000 0.183 332 N C 1.277 176.639 175.510 -0.248 0.000 1.041 332 N CA 0.878 53.665 53.050 -0.438 0.000 0.900 332 N CB 0.236 38.710 38.487 -0.022 0.000 0.961 332 N HN 0.104 nan 8.380 nan 0.000 0.443 333 R N -1.149 119.194 120.500 -0.262 0.000 2.123 333 R HA 0.148 4.489 4.340 0.001 0.000 0.209 333 R C 1.589 177.790 176.300 -0.166 0.000 1.078 333 R CA 0.428 56.436 56.100 -0.154 0.000 1.028 333 R CB -0.151 30.093 30.300 -0.094 0.000 0.939 333 R HN 0.161 nan 8.270 nan 0.000 0.463 334 L N -0.080 121.020 121.223 -0.205 0.000 2.145 334 L HA 0.140 4.481 4.340 0.001 0.000 0.201 334 L C 1.705 178.621 176.870 0.077 0.000 1.075 334 L CA 1.477 56.275 54.840 -0.070 0.000 0.773 334 L CB -0.305 41.721 42.059 -0.055 0.000 0.936 334 L HN 0.077 nan 8.230 nan 0.000 0.451 335 F N 0.200 120.008 119.950 -0.237 0.000 2.202 335 F HA -0.146 4.382 4.527 0.001 0.000 0.301 335 F C -0.223 175.516 175.800 -0.101 0.000 1.082 335 F CA 0.518 58.415 58.000 -0.170 0.000 1.313 335 F CB -1.422 37.422 39.000 -0.260 0.000 1.024 335 F HN 0.247 nan 8.300 nan 0.000 0.495 336 P HA -0.130 nan 4.420 nan 0.000 0.219 336 P C 1.606 178.874 177.300 -0.053 0.000 1.150 336 P CA 1.220 64.215 63.100 -0.174 0.000 0.814 336 P CB -0.024 31.102 31.700 -0.956 0.000 0.787 337 L N -1.625 119.572 121.223 -0.043 0.000 2.109 337 L HA -0.111 4.229 4.340 0.001 0.000 0.207 337 L C 2.274 179.173 176.870 0.048 0.000 1.086 337 L CA 0.829 55.672 54.840 0.004 0.000 0.760 337 L CB -0.912 41.156 42.059 0.016 0.000 0.910 337 L HN 0.018 nan 8.230 nan 0.000 0.437 338 L N 0.457 121.746 121.223 0.110 0.000 2.056 338 L HA -0.102 4.238 4.340 0.001 0.000 0.207 338 L C 2.613 179.609 176.870 0.209 0.000 1.078 338 L CA 1.953 56.899 54.840 0.177 0.000 0.749 338 L CB -0.615 41.517 42.059 0.122 0.000 0.901 338 L HN 0.117 nan 8.230 nan 0.000 0.433 339 A N -1.484 121.432 122.820 0.159 0.000 1.930 339 A HA -0.143 4.177 4.320 0.001 0.000 0.217 339 A C 2.361 180.039 177.584 0.156 0.000 1.175 339 A CA 1.807 53.982 52.037 0.230 0.000 0.627 339 A CB -0.835 18.325 19.000 0.267 0.000 0.815 339 A HN 0.526 nan 8.150 nan 0.000 0.443 340 S N -0.082 115.616 115.700 -0.004 0.000 2.383 340 S HA 0.020 4.490 4.470 0.001 0.000 0.227 340 S C 2.285 176.405 174.600 -0.800 0.000 1.026 340 S CA 0.991 58.883 58.200 -0.513 0.000 0.981 340 S CB -0.394 62.532 63.200 -0.456 0.000 0.818 340 S HN 0.779 nan 8.310 nan 0.000 0.472 341 A N 0.537 123.178 122.820 -0.299 0.000 1.902 341 A HA -0.108 4.212 4.320 0.001 0.000 0.217 341 A C 1.890 179.425 177.584 -0.082 0.000 1.181 341 A CA 1.431 53.382 52.037 -0.144 0.000 0.623 341 A CB -0.877 18.109 19.000 -0.024 0.000 0.818 341 A HN 0.537 nan 8.150 nan 0.000 0.443 342 Y N -0.306 119.915 120.300 -0.131 0.000 2.220 342 Y HA 0.016 4.567 4.550 0.001 0.000 0.291 342 Y C 2.908 178.239 175.900 -0.949 0.000 1.129 342 Y CA 0.788 58.648 58.100 -0.401 0.000 1.161 342 Y CB -0.489 37.832 38.460 -0.231 0.000 0.997 342 Y HN 0.323 nan 8.280 nan 0.000 0.522 343 A N -0.050 122.416 122.820 -0.589 0.000 1.908 343 A HA -0.178 4.142 4.320 0.001 0.000 0.218 343 A C 1.871 179.289 177.584 -0.278 0.000 1.181 343 A CA 1.715 53.342 52.037 -0.683 0.000 0.627 343 A CB -1.069 17.494 19.000 -0.729 0.000 0.818 343 A HN 0.397 nan 8.150 nan 0.000 0.445 344 F N -0.443 119.309 119.950 -0.330 0.000 2.259 344 F HA 0.016 4.543 4.527 0.001 0.000 0.298 344 F C 2.280 177.912 175.800 -0.280 0.000 1.088 344 F CA 1.088 58.957 58.000 -0.218 0.000 1.358 344 F CB -1.039 37.887 39.000 -0.122 0.000 1.040 344 F HN 0.178 nan 8.300 nan 0.000 0.505 345 R N 0.421 120.748 120.500 -0.288 0.000 2.080 345 R HA -0.145 4.196 4.340 0.001 0.000 0.236 345 R C 2.226 178.327 176.300 -0.332 0.000 1.137 345 R CA 1.724 57.506 56.100 -0.531 0.000 0.943 345 R CB -1.158 28.515 30.300 -1.045 0.000 0.846 345 R HN 0.272 nan 8.270 nan 0.000 0.431 346 F N -1.287 118.526 119.950 -0.228 0.000 2.186 346 F HA -0.134 4.394 4.527 0.002 0.000 0.299 346 F C 2.359 178.128 175.800 -0.052 0.000 1.090 346 F CA 0.597 58.491 58.000 -0.176 0.000 1.307 346 F CB -0.358 38.459 39.000 -0.306 0.000 1.019 346 F HN -0.060 nan 8.300 nan 0.000 0.489 347 V N 0.276 120.266 119.914 0.125 0.000 2.626 347 V HA -0.158 3.962 4.120 0.001 0.000 0.252 347 V C 2.293 178.511 176.094 0.207 0.000 1.067 347 V CA 2.091 64.494 62.300 0.171 0.000 1.081 347 V CB -0.743 31.145 31.823 0.109 0.000 0.686 347 V HN 0.400 nan 8.190 nan 0.000 0.468 348 G N -1.029 107.825 108.800 0.090 0.000 2.448 348 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 348 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 348 G C 1.369 176.309 174.900 0.067 0.000 1.135 348 G CA 0.713 45.835 45.100 0.038 0.000 0.784 348 G HN 0.603 nan 8.290 nan 0.000 0.543 349 E N -0.683 119.585 120.200 0.113 0.000 2.072 349 E HA -0.103 4.248 4.350 0.001 0.000 0.190 349 E C 2.047 178.774 176.600 0.212 0.000 0.982 349 E CA 0.578 57.056 56.400 0.131 0.000 0.803 349 E CB -0.220 29.568 29.700 0.147 0.000 0.755 349 E HN 0.571 nan 8.360 nan 0.000 0.453 350 W N 1.794 123.154 121.300 0.100 0.000 2.350 350 W HA -0.132 4.529 4.660 0.000 0.000 0.289 350 W C 1.623 178.294 176.519 0.253 0.000 1.215 350 W CA 1.129 58.566 57.345 0.155 0.000 1.236 350 W CB -0.121 29.391 29.460 0.087 0.000 1.130 350 W HN -0.038 nan 8.180 nan 0.000 0.541 351 L N 0.979 122.289 121.223 0.145 0.000 2.275 351 L HA -0.151 4.189 4.340 0.001 0.000 0.215 351 L C 2.763 179.599 176.870 -0.057 0.000 1.119 351 L CA 1.609 56.419 54.840 -0.051 0.000 0.790 351 L CB -1.105 40.988 42.059 0.057 0.000 0.919 351 L HN 0.088 nan 8.230 nan 0.000 0.443 352 K N -0.622 119.793 120.400 0.026 0.000 2.167 352 K HA -0.239 4.081 4.320 0.001 0.000 0.203 352 K C 1.580 178.227 176.600 0.077 0.000 1.052 352 K CA 1.131 57.459 56.287 0.069 0.000 0.956 352 K CB -1.248 31.301 32.500 0.080 0.000 0.735 352 K HN 0.540 nan 8.250 nan 0.000 0.451 353 W N 0.365 121.573 121.300 -0.152 0.000 2.409 353 W HA -0.030 4.630 4.660 0.001 0.000 0.299 353 W C 1.578 177.938 176.519 -0.266 0.000 1.203 353 W CA 1.041 58.275 57.345 -0.185 0.000 1.298 353 W CB -0.205 29.124 29.460 -0.218 0.000 1.127 353 W HN 0.200 nan 8.180 nan 0.000 0.528 354 L N 0.447 121.382 121.223 -0.480 0.000 2.042 354 L HA -0.216 4.125 4.340 0.001 0.000 0.210 354 L C 2.438 179.028 176.870 -0.466 0.000 1.076 354 L CA 2.220 56.638 54.840 -0.705 0.000 0.749 354 L CB -1.596 40.085 42.059 -0.631 0.000 0.893 354 L HN 0.266 nan 8.230 nan 0.000 0.432 355 Y N 0.040 120.130 120.300 -0.350 0.000 2.145 355 Y HA -0.250 4.301 4.550 0.001 0.000 0.286 355 Y C 2.435 178.173 175.900 -0.269 0.000 1.145 355 Y CA 2.285 60.253 58.100 -0.220 0.000 1.148 355 Y CB -0.807 37.605 38.460 -0.080 0.000 0.981 355 Y HN 0.191 nan 8.280 nan 0.000 0.507 356 T N -0.229 114.120 114.554 -0.342 0.000 2.929 356 T HA -0.153 4.197 4.350 0.001 0.000 0.271 356 T C 1.275 175.661 174.700 -0.523 0.000 1.085 356 T CA 1.600 63.455 62.100 -0.408 0.000 1.125 356 T CB -0.293 68.416 68.868 -0.265 0.000 0.874 356 T HN 0.403 nan 8.240 nan 0.000 0.494 357 D N 0.513 120.491 120.400 -0.703 0.000 2.144 357 D HA -0.012 4.628 4.640 0.001 0.000 0.207 357 D C 2.117 178.138 176.300 -0.465 0.000 0.970 357 D CA 0.441 54.030 54.000 -0.685 0.000 0.853 357 D CB -0.183 39.971 40.800 -1.077 0.000 1.007 357 D HN 0.097 nan 8.370 nan 0.000 0.469 358 V N 0.778 120.433 119.914 -0.431 0.000 2.469 358 V HA -0.250 3.871 4.120 0.001 0.000 0.251 358 V C 2.571 178.469 176.094 -0.328 0.000 1.064 358 V CA 2.215 64.332 62.300 -0.304 0.000 1.066 358 V CB -1.182 30.514 31.823 -0.212 0.000 0.667 358 V HN 0.459 nan 8.190 nan 0.000 0.461 359 T N -1.809 112.471 114.554 -0.457 0.000 2.857 359 T HA -0.185 4.166 4.350 0.001 0.000 0.266 359 T C 1.725 176.234 174.700 -0.318 0.000 1.048 359 T CA 1.403 63.240 62.100 -0.438 0.000 1.139 359 T CB -0.275 68.223 68.868 -0.617 0.000 0.874 359 T HN 0.397 nan 8.240 nan 0.000 0.455 360 E N 0.829 120.838 120.200 -0.319 0.000 2.204 360 E HA -0.028 4.323 4.350 0.001 0.000 0.194 360 E C 2.420 178.880 176.600 -0.233 0.000 0.989 360 E CA 0.614 56.865 56.400 -0.248 0.000 0.824 360 E CB -0.050 29.501 29.700 -0.248 0.000 0.756 360 E HN 0.279 nan 8.360 nan 0.000 0.477 361 R N -0.322 120.022 120.500 -0.260 0.000 2.075 361 R HA 0.053 4.394 4.340 0.001 0.000 0.226 361 R C 1.883 177.971 176.300 -0.352 0.000 1.114 361 R CA 0.658 56.597 56.100 -0.268 0.000 0.972 361 R CB -0.592 29.566 30.300 -0.238 0.000 0.869 361 R HN 0.275 nan 8.270 nan 0.000 0.437 362 L N 0.934 121.970 121.223 -0.310 0.000 2.693 362 L HA 0.071 4.412 4.340 0.001 0.000 0.242 362 L C 1.793 178.518 176.870 -0.242 0.000 1.157 362 L CA 0.013 54.666 54.840 -0.311 0.000 0.929 362 L CB -0.308 41.663 42.059 -0.146 0.000 1.103 362 L HN 0.107 nan 8.230 nan 0.000 0.430 363 A N 0.152 122.829 122.820 -0.238 0.000 1.997 363 A HA 0.287 4.607 4.320 0.001 0.000 0.214 363 A C 2.072 179.558 177.584 -0.163 0.000 1.458 363 A CA 0.632 52.569 52.037 -0.167 0.000 0.692 363 A CB -0.459 18.453 19.000 -0.147 0.000 1.145 363 A HN 0.244 nan 8.150 nan 0.000 0.515 364 A N -0.428 122.285 122.820 -0.178 0.000 2.236 364 A HA 0.386 4.707 4.320 0.001 0.000 0.214 364 A C 1.107 178.578 177.584 -0.189 0.000 1.287 364 A CA 1.156 53.106 52.037 -0.145 0.000 0.909 364 A CB -1.313 17.614 19.000 -0.122 0.000 0.839 364 A HN 1.460 nan 8.150 nan 0.000 0.486 365 S N -0.940 114.590 115.700 -0.284 0.000 3.581 365 S HA -0.229 4.241 4.470 0.001 0.000 0.354 365 S C -0.251 173.974 174.600 -0.626 0.000 1.059 365 S CA 0.985 58.952 58.200 -0.387 0.000 1.060 365 S CB -1.610 61.590 63.200 0.001 0.000 0.908 365 S HN 0.892 nan 8.310 nan 0.000 0.475 366 D N -0.004 119.962 120.400 -0.723 0.000 2.373 366 D HA 0.525 5.166 4.640 0.001 0.000 0.227 366 D C 0.218 176.137 176.300 -0.635 0.000 1.091 366 D CA -0.576 53.142 54.000 -0.472 0.000 0.840 366 D CB 0.156 40.811 40.800 -0.242 0.000 1.060 366 D HN 0.240 nan 8.370 nan 0.000 0.502 367 F N 2.381 122.326 119.950 -0.009 0.000 2.735 367 F HA 0.362 4.890 4.527 0.001 0.000 0.304 367 F C 1.816 177.624 175.800 0.013 0.000 1.119 367 F CA -0.523 57.474 58.000 -0.006 0.000 1.280 367 F CB 0.192 39.188 39.000 -0.006 0.000 0.994 367 F HN 0.466 nan 8.300 nan 0.000 0.520 368 A N 0.130 123.025 122.820 0.126 0.000 2.066 368 A HA -0.084 4.237 4.320 0.001 0.000 0.218 368 A C 2.058 179.708 177.584 0.110 0.000 1.157 368 A CA 1.929 54.034 52.037 0.114 0.000 0.670 368 A CB -0.853 18.195 19.000 0.080 0.000 0.804 368 A HN 0.344 nan 8.150 nan 0.000 0.453 369 T N -3.815 110.788 114.554 0.082 0.000 3.085 369 T HA 0.237 4.588 4.350 0.001 0.000 0.264 369 T C 1.333 176.077 174.700 0.073 0.000 1.019 369 T CA 0.342 62.495 62.100 0.087 0.000 0.910 369 T CB -0.056 68.847 68.868 0.060 0.000 1.059 369 T HN 0.061 nan 8.240 nan 0.000 0.542 370 L N 2.251 123.525 121.223 0.086 0.000 2.017 370 L HA 0.200 4.541 4.340 0.001 0.000 0.208 370 L C -0.871 176.043 176.870 0.073 0.000 1.073 370 L CA 1.697 56.586 54.840 0.081 0.000 0.745 370 L CB -0.982 41.150 42.059 0.123 0.000 0.894 370 L HN 0.111 nan 8.230 nan 0.000 0.432 371 P HA -0.212 nan 4.420 nan 0.000 0.216 371 P C 1.463 178.629 177.300 -0.223 0.000 1.153 371 P CA 1.497 64.644 63.100 0.079 0.000 0.858 371 P CB -0.015 31.824 31.700 0.232 0.000 0.789 372 E N -0.386 119.692 120.200 -0.204 0.000 2.072 372 E HA -0.127 4.224 4.350 0.001 0.000 0.190 372 E C 1.909 178.376 176.600 -0.222 0.000 0.982 372 E CA 1.074 57.202 56.400 -0.453 0.000 0.803 372 E CB -0.406 29.323 29.700 0.047 0.000 0.755 372 E HN 0.041 nan 8.360 nan 0.000 0.453 373 A N 0.564 123.358 122.820 -0.044 0.000 2.019 373 A HA -0.216 4.104 4.320 0.001 0.000 0.219 373 A C 1.938 179.533 177.584 0.019 0.000 1.164 373 A CA 1.900 53.945 52.037 0.012 0.000 0.644 373 A CB -0.781 18.227 19.000 0.013 0.000 0.805 373 A HN 0.450 nan 8.150 nan 0.000 0.449 374 H N -0.136 118.876 119.070 -0.096 0.000 2.307 374 H HA 0.186 4.743 4.556 0.001 0.000 0.303 374 H C 2.122 177.399 175.328 -0.085 0.000 1.073 374 H CA 1.885 57.891 56.048 -0.071 0.000 1.338 374 H CB -0.456 29.270 29.762 -0.060 0.000 1.389 374 H HN 0.308 nan 8.280 nan 0.000 0.503 375 A N 0.165 122.685 122.820 -0.501 0.000 1.898 375 A HA -0.149 4.172 4.320 0.001 0.000 0.216 375 A C 2.889 180.352 177.584 -0.202 0.000 1.181 375 A CA 1.334 53.090 52.037 -0.468 0.000 0.620 375 A CB -1.609 17.093 19.000 -0.497 0.000 0.819 375 A HN 0.698 nan 8.150 nan 0.000 0.442 376 C N -0.741 118.487 119.300 -0.120 0.000 2.413 376 C HA -0.130 4.330 4.460 0.001 0.000 0.277 376 C C 2.916 177.953 174.990 0.079 0.000 1.228 376 C CA 2.203 61.269 59.018 0.081 0.000 1.731 376 C CB -1.489 26.368 27.740 0.195 0.000 2.042 376 C HN 0.592 nan 8.230 nan 0.000 0.468 377 T N 0.840 115.419 114.554 0.042 0.000 2.821 377 T HA -0.013 4.337 4.350 0.001 0.000 0.267 377 T C 2.114 176.809 174.700 -0.008 0.000 1.046 377 T CA 1.568 63.693 62.100 0.041 0.000 1.139 377 T CB -0.526 68.365 68.868 0.039 0.000 0.871 377 T HN 0.721 nan 8.240 nan 0.000 0.454 378 A N 1.490 124.265 122.820 -0.075 0.000 1.898 378 A HA 0.155 4.476 4.320 0.001 0.000 0.216 378 A C 2.636 180.191 177.584 -0.047 0.000 1.181 378 A CA 1.728 53.711 52.037 -0.089 0.000 0.620 378 A CB -1.313 17.554 19.000 -0.221 0.000 0.819 378 A HN 0.502 nan 8.150 nan 0.000 0.442 379 G N -0.401 108.385 108.800 -0.024 0.000 2.408 379 G HA2 -0.098 3.863 3.960 0.001 0.000 0.217 379 G HA3 -0.098 3.863 3.960 0.001 0.000 0.217 379 G C 1.545 176.454 174.900 0.015 0.000 1.150 379 G CA 0.923 46.037 45.100 0.023 0.000 0.776 379 G HN 0.417 nan 8.290 nan 0.000 0.542 380 L N 0.082 121.313 121.223 0.013 0.000 2.056 380 L HA -0.029 4.311 4.340 0.001 0.000 0.207 380 L C 2.888 179.715 176.870 -0.072 0.000 1.078 380 L CA 1.178 56.008 54.840 -0.016 0.000 0.749 380 L CB -0.342 41.736 42.059 0.032 0.000 0.901 380 L HN 0.141 nan 8.230 nan 0.000 0.433 381 K N 0.085 120.453 120.400 -0.053 0.000 2.063 381 K HA -0.214 4.107 4.320 0.001 0.000 0.208 381 K C 2.277 178.829 176.600 -0.080 0.000 1.048 381 K CA 2.051 58.295 56.287 -0.072 0.000 0.928 381 K CB -0.209 32.258 32.500 -0.054 0.000 0.713 381 K HN 0.160 nan 8.250 nan 0.000 0.442 382 S N 0.685 116.351 115.700 -0.056 0.000 2.355 382 S HA -0.134 4.337 4.470 0.001 0.000 0.222 382 S C 2.111 176.693 174.600 -0.030 0.000 1.031 382 S CA 1.126 59.300 58.200 -0.043 0.000 0.993 382 S CB -0.281 62.909 63.200 -0.018 0.000 0.859 382 S HN 0.356 nan 8.310 nan 0.000 0.453 383 L N 1.635 122.840 121.223 -0.031 0.000 2.017 383 L HA -0.077 4.263 4.340 0.001 0.000 0.208 383 L C 2.771 179.585 176.870 -0.094 0.000 1.073 383 L CA 2.603 57.435 54.840 -0.013 0.000 0.745 383 L CB -1.155 40.909 42.059 0.009 0.000 0.894 383 L HN 0.623 nan 8.230 nan 0.000 0.432 384 T N -4.439 109.935 114.554 -0.300 0.000 2.777 384 T HA -0.174 4.177 4.350 0.001 0.000 0.266 384 T C 1.838 176.444 174.700 -0.158 0.000 1.040 384 T CA 1.569 63.293 62.100 -0.627 0.000 1.141 384 T CB -1.336 67.037 68.868 -0.824 0.000 0.868 384 T HN 0.561 nan 8.240 nan 0.000 0.444 385 T N -0.118 114.416 114.554 -0.032 0.000 2.821 385 T HA -0.098 4.253 4.350 0.001 0.000 0.267 385 T C 2.128 176.932 174.700 0.174 0.000 1.046 385 T CA 1.657 63.834 62.100 0.129 0.000 1.139 385 T CB -1.377 67.469 68.868 -0.037 0.000 0.871 385 T HN 0.395 nan 8.240 nan 0.000 0.454 386 T N 2.196 116.809 114.554 0.099 0.000 2.701 386 T HA 0.129 4.480 4.350 0.001 0.000 0.263 386 T C 2.506 177.332 174.700 0.209 0.000 1.040 386 T CA 1.318 63.499 62.100 0.134 0.000 1.147 386 T CB -0.862 68.068 68.868 0.102 0.000 0.865 386 T HN 0.584 nan 8.240 nan 0.000 0.426 387 A N 1.166 124.131 122.820 0.241 0.000 1.933 387 A HA -0.121 4.200 4.320 0.001 0.000 0.218 387 A C 2.543 180.335 177.584 0.347 0.000 1.175 387 A CA 2.064 54.311 52.037 0.350 0.000 0.628 387 A CB -1.202 18.136 19.000 0.564 0.000 0.814 387 A HN 0.472 nan 8.150 nan 0.000 0.444 388 T N 0.137 114.896 114.554 0.342 0.000 2.777 388 T HA 0.031 4.381 4.350 0.001 0.000 0.266 388 T C 2.262 177.064 174.700 0.171 0.000 1.040 388 T CA 1.478 63.704 62.100 0.210 0.000 1.141 388 T CB -0.439 68.462 68.868 0.054 0.000 0.868 388 T HN 0.592 nan 8.240 nan 0.000 0.444 389 A N 2.175 125.198 122.820 0.339 0.000 1.865 389 A HA -0.180 4.141 4.320 0.001 0.000 0.217 389 A C 2.130 179.981 177.584 0.445 0.000 1.191 389 A CA 1.851 54.164 52.037 0.460 0.000 0.623 389 A CB -0.742 18.489 19.000 0.384 0.000 0.826 389 A HN 0.361 nan 8.150 nan 0.000 0.444 390 D N -0.417 120.166 120.400 0.305 0.000 2.117 390 D HA -0.094 4.547 4.640 0.001 0.000 0.197 390 D C 2.073 178.453 176.300 0.134 0.000 0.987 390 D CA 1.505 55.628 54.000 0.205 0.000 0.829 390 D CB -0.750 40.159 40.800 0.181 0.000 0.961 390 D HN 0.457 nan 8.370 nan 0.000 0.460 391 G N 0.820 109.710 108.800 0.150 0.000 2.422 391 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 391 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 391 G C 1.819 176.756 174.900 0.062 0.000 1.146 391 G CA 0.234 45.392 45.100 0.096 0.000 0.769 391 G HN 0.263 nan 8.290 nan 0.000 0.547 392 I N 0.420 121.047 120.570 0.095 0.000 2.252 392 I HA -0.111 4.059 4.170 0.001 0.000 0.245 392 I C 2.655 178.774 176.117 0.003 0.000 1.102 392 I CA 1.411 62.761 61.300 0.083 0.000 1.385 392 I CB -0.088 38.032 38.000 0.199 0.000 1.064 392 I HN 0.173 nan 8.210 nan 0.000 0.414 393 E N 1.330 121.460 120.200 -0.116 0.000 2.106 393 E HA -0.268 4.082 4.350 0.001 0.000 0.192 393 E C 1.903 178.404 176.600 -0.166 0.000 0.984 393 E CA 1.394 57.572 56.400 -0.370 0.000 0.806 393 E CB -0.081 29.167 29.700 -0.753 0.000 0.750 393 E HN 0.320 nan 8.360 nan 0.000 0.458 394 E N -0.387 119.766 120.200 -0.077 0.000 2.110 394 E HA -0.115 4.236 4.350 0.001 0.000 0.193 394 E C 1.872 178.460 176.600 -0.019 0.000 0.988 394 E CA 1.308 57.688 56.400 -0.034 0.000 0.804 394 E CB -0.731 28.970 29.700 0.001 0.000 0.745 394 E HN 0.367 nan 8.360 nan 0.000 0.458 395 C N 0.198 119.492 119.300 -0.010 0.000 2.422 395 C HA 0.016 4.476 4.460 0.001 0.000 0.279 395 C C 2.657 177.648 174.990 0.001 0.000 1.305 395 C CA 0.918 59.941 59.018 0.008 0.000 1.757 395 C CB -0.914 26.836 27.740 0.017 0.000 1.962 395 C HN 0.452 nan 8.230 nan 0.000 0.499 396 R N 1.012 121.496 120.500 -0.026 0.000 2.075 396 R HA -0.100 4.241 4.340 0.001 0.000 0.232 396 R C 2.166 178.462 176.300 -0.006 0.000 1.126 396 R CA 1.290 57.374 56.100 -0.025 0.000 0.963 396 R CB -0.143 30.130 30.300 -0.044 0.000 0.858 396 R HN 0.518 nan 8.270 nan 0.000 0.435 397 K N 0.292 120.682 120.400 -0.017 0.000 2.148 397 K HA -0.087 4.234 4.320 0.001 0.000 0.204 397 K C 1.971 178.584 176.600 0.022 0.000 1.050 397 K CA 0.968 57.252 56.287 -0.006 0.000 0.942 397 K CB -0.054 32.432 32.500 -0.023 0.000 0.724 397 K HN 0.216 nan 8.250 nan 0.000 0.446 398 L N 0.293 121.534 121.223 0.030 0.000 2.456 398 L HA -0.163 4.178 4.340 0.001 0.000 0.224 398 L C 1.640 178.591 176.870 0.136 0.000 1.148 398 L CA 0.402 55.278 54.840 0.060 0.000 0.825 398 L CB -0.143 41.943 42.059 0.045 0.000 0.937 398 L HN 0.256 nan 8.230 nan 0.000 0.450 399 C N -0.079 119.298 119.300 0.128 0.000 2.754 399 C HA 0.413 4.873 4.460 0.001 0.000 0.276 399 C C 1.644 176.741 174.990 0.179 0.000 1.264 399 C CA -0.016 59.122 59.018 0.200 0.000 1.700 399 C CB -1.548 26.154 27.740 -0.063 0.000 1.885 399 C HN 0.762 nan 8.230 nan 0.000 0.607 400 G N 1.176 110.043 108.800 0.111 0.000 2.575 400 G HA2 -0.143 3.818 3.960 0.001 0.000 0.267 400 G HA3 -0.143 3.818 3.960 0.001 0.000 0.267 400 G C 0.958 175.856 174.900 -0.003 0.000 1.264 400 G CA 0.103 45.235 45.100 0.054 0.000 0.935 400 G HN 0.591 nan 8.290 nan 0.000 0.568 401 G N -1.735 107.018 108.800 -0.078 0.000 2.440 401 G HA2 -0.166 3.794 3.960 0.001 0.000 0.218 401 G HA3 -0.166 3.794 3.960 0.001 0.000 0.218 401 G C 1.407 176.308 174.900 0.003 0.000 1.154 401 G CA 1.884 46.934 45.100 -0.084 0.000 0.767 401 G HN 0.864 nan 8.290 nan 0.000 0.552 402 H N 0.648 119.750 119.070 0.054 0.000 2.489 402 H HA -0.041 4.515 4.556 0.001 0.000 0.293 402 H C 2.757 178.047 175.328 -0.063 0.000 1.066 402 H CA 0.811 56.855 56.048 -0.005 0.000 1.305 402 H CB -0.758 28.974 29.762 -0.050 0.000 1.386 402 H HN 0.376 nan 8.280 nan 0.000 0.551 403 G N -0.451 108.364 108.800 0.026 0.000 2.559 403 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 403 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 403 G C 1.421 176.371 174.900 0.083 0.000 1.126 403 G CA 0.121 45.213 45.100 -0.013 0.000 0.778 403 G HN 0.407 nan 8.290 nan 0.000 0.543 404 Y N 0.612 120.909 120.300 -0.005 0.000 2.561 404 Y HA 0.327 4.877 4.550 0.001 0.000 0.291 404 Y C 1.161 177.092 175.900 0.050 0.000 1.141 404 Y CA -0.665 57.447 58.100 0.019 0.000 1.303 404 Y CB 0.005 38.478 38.460 0.022 0.000 1.015 404 Y HN -0.053 nan 8.280 nan 0.000 0.547 405 L N -0.237 121.017 121.223 0.052 0.000 2.380 405 L HA -0.043 4.298 4.340 0.001 0.000 0.273 405 L C 1.175 178.056 176.870 0.017 0.000 1.138 405 L CA -0.170 54.683 54.840 0.022 0.000 0.832 405 L CB 0.627 42.723 42.059 0.061 0.000 1.124 405 L HN 0.413 nan 8.230 nan 0.000 0.454 406 W N 4.174 125.402 121.300 -0.119 0.000 2.321 406 W HA -0.275 4.386 4.660 0.001 0.000 0.306 406 W C 2.441 178.919 176.519 -0.068 0.000 1.217 406 W CA 1.601 58.892 57.345 -0.091 0.000 1.257 406 W CB -0.096 29.315 29.460 -0.081 0.000 1.145 406 W HN 0.762 nan 8.180 nan 0.000 0.509 407 C N 0.928 120.299 119.300 0.119 0.000 2.460 407 C HA -0.014 4.447 4.460 0.001 0.000 0.291 407 C C 2.692 177.520 174.990 -0.270 0.000 1.493 407 C CA 0.844 59.791 59.018 -0.119 0.000 1.748 407 C CB -2.113 25.707 27.740 0.134 0.000 1.656 407 C HN 0.477 nan 8.230 nan 0.000 0.576 408 S N 0.305 115.856 115.700 -0.248 0.000 2.453 408 S HA 0.290 4.761 4.470 0.001 0.000 0.231 408 S C 1.872 176.298 174.600 -0.291 0.000 1.005 408 S CA 1.467 59.528 58.200 -0.231 0.000 0.949 408 S CB -0.869 62.224 63.200 -0.178 0.000 0.774 408 S HN 1.797 nan 8.310 nan 0.000 0.510 409 G N 0.912 109.442 108.800 -0.449 0.000 2.199 409 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 409 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 409 G C 0.645 175.361 174.900 -0.306 0.000 0.982 409 G CA 0.511 45.337 45.100 -0.457 0.000 0.632 409 G HN 0.521 nan 8.290 nan 0.000 0.529 410 L N 0.376 121.468 121.223 -0.218 0.000 2.168 410 L HA 0.102 4.442 4.340 0.001 0.000 0.203 410 L C 0.284 177.131 176.870 -0.039 0.000 1.078 410 L CA 1.139 55.915 54.840 -0.107 0.000 0.780 410 L CB -0.867 41.147 42.059 -0.076 0.000 0.939 410 L HN 0.126 nan 8.230 nan 0.000 0.451 411 P HA -0.236 nan 4.420 nan 0.000 0.215 411 P C 1.354 178.714 177.300 0.099 0.000 1.157 411 P CA 1.448 64.574 63.100 0.044 0.000 0.874 411 P CB 0.096 31.798 31.700 0.005 0.000 0.790 412 E N -0.861 119.334 120.200 -0.008 0.000 2.150 412 E HA -0.168 4.183 4.350 0.001 0.000 0.193 412 E C 1.851 178.487 176.600 0.059 0.000 0.985 412 E CA 0.487 56.921 56.400 0.057 0.000 0.814 412 E CB -0.485 29.227 29.700 0.019 0.000 0.752 412 E HN -0.023 nan 8.360 nan 0.000 0.466 413 L N 0.425 121.653 121.223 0.008 0.000 2.046 413 L HA -0.119 4.222 4.340 0.001 0.000 0.208 413 L C 2.029 179.001 176.870 0.171 0.000 1.077 413 L CA 1.662 56.524 54.840 0.036 0.000 0.747 413 L CB -0.814 41.226 42.059 -0.033 0.000 0.896 413 L HN 0.234 nan 8.230 nan 0.000 0.432 414 F N 0.325 120.309 119.950 0.057 0.000 2.102 414 F HA -0.124 4.403 4.527 0.001 0.000 0.298 414 F C 2.310 178.195 175.800 0.142 0.000 1.105 414 F CA 1.511 59.577 58.000 0.111 0.000 1.239 414 F CB -0.810 38.238 39.000 0.081 0.000 0.991 414 F HN 0.140 nan 8.300 nan 0.000 0.474 415 A N -0.345 122.526 122.820 0.085 0.000 1.902 415 A HA -0.168 4.153 4.320 0.001 0.000 0.217 415 A C 2.369 179.967 177.584 0.023 0.000 1.181 415 A CA 1.896 53.928 52.037 -0.008 0.000 0.623 415 A CB -1.529 17.549 19.000 0.131 0.000 0.818 415 A HN 0.342 nan 8.150 nan 0.000 0.443 416 V N -1.729 118.262 119.914 0.129 0.000 2.667 416 V HA -0.158 3.963 4.120 0.001 0.000 0.252 416 V C 2.091 178.323 176.094 0.229 0.000 1.065 416 V CA 2.093 64.537 62.300 0.240 0.000 1.083 416 V CB -0.524 31.407 31.823 0.180 0.000 0.692 416 V HN 0.705 nan 8.190 nan 0.000 0.468 417 Y N -0.851 119.462 120.300 0.022 0.000 2.347 417 Y HA 0.022 4.573 4.550 0.001 0.000 0.294 417 Y C 2.293 178.128 175.900 -0.108 0.000 1.117 417 Y CA 1.649 59.752 58.100 0.005 0.000 1.184 417 Y CB -0.059 38.407 38.460 0.010 0.000 1.047 417 Y HN -0.000 nan 8.280 nan 0.000 0.546 418 V N 1.944 121.658 119.914 -0.334 0.000 2.439 418 V HA -0.262 3.858 4.120 0.001 0.000 0.253 418 V C -0.825 174.984 176.094 -0.476 0.000 1.074 418 V CA 2.356 64.382 62.300 -0.458 0.000 1.076 418 V CB -1.143 30.294 31.823 -0.645 0.000 0.664 418 V HN 0.326 nan 8.190 nan 0.000 0.461 419 P HA -0.101 nan 4.420 nan 0.000 0.221 419 P C 1.558 178.391 177.300 -0.778 0.000 1.145 419 P CA 1.473 64.305 63.100 -0.448 0.000 0.795 419 P CB -0.207 31.274 31.700 -0.365 0.000 0.775 420 A N -1.092 121.153 122.820 -0.957 0.000 2.024 420 A HA -0.229 4.092 4.320 0.001 0.000 0.220 420 A C 2.089 179.104 177.584 -0.948 0.000 1.164 420 A CA 1.536 52.764 52.037 -1.348 0.000 0.643 420 A CB -1.751 16.590 19.000 -1.099 0.000 0.806 420 A HN 0.260 nan 8.150 nan 0.000 0.451 421 C N -2.073 116.854 119.300 -0.623 0.000 2.500 421 C HA 0.117 4.577 4.460 0.001 0.000 0.273 421 C C 2.618 177.406 174.990 -0.337 0.000 1.428 421 C CA 1.261 60.059 59.018 -0.367 0.000 1.766 421 C CB -1.097 26.511 27.740 -0.220 0.000 1.817 421 C HN 0.725 nan 8.230 nan 0.000 0.543 422 T N -0.776 113.515 114.554 -0.438 0.000 3.098 422 T HA 0.158 4.508 4.350 0.001 0.000 0.246 422 T C 0.409 174.957 174.700 -0.253 0.000 0.983 422 T CA -0.076 61.841 62.100 -0.305 0.000 1.094 422 T CB -0.231 68.465 68.868 -0.287 0.000 1.035 422 T HN 0.407 nan 8.240 nan 0.000 0.456 423 Y N 2.048 122.207 120.300 -0.236 0.000 2.550 423 Y HA 0.500 5.051 4.550 0.001 0.000 0.343 423 Y C 0.765 176.588 175.900 -0.130 0.000 1.245 423 Y CA -0.645 57.342 58.100 -0.189 0.000 1.462 423 Y CB -0.112 38.225 38.460 -0.204 0.000 1.340 423 Y HN 0.419 nan 8.280 nan 0.000 0.604 424 E N 0.263 120.586 120.200 0.204 0.000 3.286 424 E HA -0.087 4.263 4.350 0.001 0.000 0.292 424 E C -0.034 176.587 176.600 0.035 0.000 0.928 424 E CA 1.481 57.950 56.400 0.116 0.000 0.982 424 E CB -1.466 28.345 29.700 0.186 0.000 1.500 424 E HN 1.869 nan 8.360 nan 0.000 0.441 425 G N 0.576 109.379 108.800 0.006 0.000 3.400 425 G HA2 0.049 4.009 3.960 0.001 0.000 0.679 425 G HA3 0.049 4.009 3.960 0.001 0.000 0.679 425 G C -0.771 174.096 174.900 -0.055 0.000 1.239 425 G CA -0.225 44.868 45.100 -0.012 0.000 1.049 425 G HN 0.337 nan 8.290 nan 0.000 0.539 426 D N 1.574 121.947 120.400 -0.046 0.000 2.493 426 D HA 0.168 4.808 4.640 0.001 0.000 0.240 426 D C 1.635 177.904 176.300 -0.052 0.000 1.142 426 D CA 0.167 54.130 54.000 -0.062 0.000 0.872 426 D CB 0.613 41.390 40.800 -0.037 0.000 1.173 426 D HN 0.259 nan 8.370 nan 0.000 0.467 427 N N 2.631 121.289 118.700 -0.071 0.000 2.137 427 N HA -0.161 4.580 4.740 0.001 0.000 0.190 427 N C 1.562 177.063 175.510 -0.016 0.000 1.017 427 N CA 0.803 53.824 53.050 -0.048 0.000 0.859 427 N CB -0.101 38.355 38.487 -0.052 0.000 1.002 427 N HN 0.333 nan 8.380 nan 0.000 0.428 428 V N 0.093 120.001 119.914 -0.009 0.000 2.379 428 V HA -0.114 4.006 4.120 0.001 0.000 0.245 428 V C 2.342 178.448 176.094 0.020 0.000 1.044 428 V CA 0.916 63.221 62.300 0.007 0.000 1.036 428 V CB -0.385 31.441 31.823 0.005 0.000 0.664 428 V HN 0.060 nan 8.190 nan 0.000 0.453 429 V N 0.059 119.984 119.914 0.018 0.000 2.332 429 V HA -0.280 3.841 4.120 0.001 0.000 0.248 429 V C 2.332 178.453 176.094 0.045 0.000 1.055 429 V CA 2.047 64.369 62.300 0.037 0.000 1.038 429 V CB -0.568 31.274 31.823 0.031 0.000 0.651 429 V HN 0.448 nan 8.190 nan 0.000 0.450 430 L N -0.572 120.665 121.223 0.024 0.000 2.046 430 L HA -0.202 4.139 4.340 0.001 0.000 0.208 430 L C 2.690 179.571 176.870 0.019 0.000 1.077 430 L CA 1.388 56.237 54.840 0.015 0.000 0.747 430 L CB -0.634 41.419 42.059 -0.009 0.000 0.896 430 L HN 0.329 nan 8.230 nan 0.000 0.432 431 Q N -0.199 119.619 119.800 0.030 0.000 2.297 431 Q HA -0.062 4.279 4.340 0.001 0.000 0.204 431 Q C 2.302 178.347 176.000 0.075 0.000 0.962 431 Q CA 1.003 56.834 55.803 0.046 0.000 0.879 431 Q CB 0.039 28.801 28.738 0.040 0.000 0.947 431 Q HN 0.573 nan 8.270 nan 0.000 0.462 432 L N 0.047 121.325 121.223 0.090 0.000 2.217 432 L HA -0.156 4.184 4.340 0.001 0.000 0.211 432 L C 2.277 179.272 176.870 0.208 0.000 1.107 432 L CA 0.806 55.743 54.840 0.161 0.000 0.783 432 L CB -0.148 42.016 42.059 0.175 0.000 0.919 432 L HN 0.234 nan 8.230 nan 0.000 0.442 433 Q N -0.749 119.130 119.800 0.132 0.000 2.119 433 Q HA -0.148 4.192 4.340 0.001 0.000 0.201 433 Q C 2.295 178.370 176.000 0.124 0.000 0.972 433 Q CA 1.177 57.051 55.803 0.118 0.000 0.847 433 Q CB 0.059 28.837 28.738 0.066 0.000 0.903 433 Q HN 0.338 nan 8.270 nan 0.000 0.433 434 V N 0.591 120.565 119.914 0.101 0.000 2.453 434 V HA -0.223 3.897 4.120 0.001 0.000 0.247 434 V C 2.190 178.407 176.094 0.205 0.000 1.048 434 V CA 1.640 64.027 62.300 0.146 0.000 1.049 434 V CB -0.848 31.052 31.823 0.129 0.000 0.672 434 V HN 0.373 nan 8.190 nan 0.000 0.457 435 A N 0.056 122.988 122.820 0.187 0.000 1.933 435 A HA -0.220 4.101 4.320 0.001 0.000 0.218 435 A C 2.397 180.149 177.584 0.280 0.000 1.175 435 A CA 1.742 53.897 52.037 0.197 0.000 0.628 435 A CB -0.463 18.639 19.000 0.169 0.000 0.814 435 A HN 0.494 nan 8.150 nan 0.000 0.444 436 R N -2.065 118.620 120.500 0.308 0.000 2.075 436 R HA -0.089 4.252 4.340 0.001 0.000 0.232 436 R C 2.010 178.398 176.300 0.146 0.000 1.126 436 R CA 1.506 57.712 56.100 0.176 0.000 0.963 436 R CB -0.475 29.843 30.300 0.030 0.000 0.858 436 R HN 0.605 nan 8.270 nan 0.000 0.435 437 F N 1.607 121.584 119.950 0.044 0.000 2.134 437 F HA -0.134 4.393 4.527 0.001 0.000 0.299 437 F C 1.832 177.626 175.800 -0.008 0.000 1.097 437 F CA 1.369 59.382 58.000 0.021 0.000 1.264 437 F CB -0.231 38.782 39.000 0.022 0.000 1.001 437 F HN -0.107 nan 8.300 nan 0.000 0.479 438 L N -0.567 120.599 121.223 -0.095 0.000 2.141 438 L HA -0.240 4.100 4.340 0.001 0.000 0.209 438 L C 2.456 179.221 176.870 -0.176 0.000 1.094 438 L CA 0.803 55.506 54.840 -0.228 0.000 0.763 438 L CB -0.611 41.391 42.059 -0.095 0.000 0.908 438 L HN 0.204 nan 8.230 nan 0.000 0.437 439 M N 0.078 119.646 119.600 -0.054 0.000 2.156 439 M HA -0.151 4.329 4.480 0.001 0.000 0.264 439 M C 2.792 179.047 176.300 -0.074 0.000 1.067 439 M CA 2.017 57.307 55.300 -0.015 0.000 1.131 439 M CB -1.137 31.525 32.600 0.102 0.000 1.368 439 M HN 0.231 nan 8.290 nan 0.000 0.416 440 K N 0.014 120.346 120.400 -0.114 0.000 2.148 440 K HA -0.070 4.251 4.320 0.001 0.000 0.204 440 K C 1.988 178.472 176.600 -0.193 0.000 1.050 440 K CA 1.975 58.187 56.287 -0.125 0.000 0.942 440 K CB -1.664 30.776 32.500 -0.099 0.000 0.724 440 K HN 0.460 nan 8.250 nan 0.000 0.446 441 T N 0.423 114.777 114.554 -0.334 0.000 2.770 441 T HA -0.067 4.284 4.350 0.001 0.000 0.263 441 T C 2.103 176.677 174.700 -0.210 0.000 1.039 441 T CA 1.319 63.210 62.100 -0.349 0.000 1.142 441 T CB -0.135 68.398 68.868 -0.558 0.000 0.868 441 T HN 0.179 nan 8.240 nan 0.000 0.435 442 V N 1.942 121.749 119.914 -0.178 0.000 2.594 442 V HA -0.118 4.003 4.120 0.001 0.000 0.253 442 V C 2.761 178.809 176.094 -0.076 0.000 1.069 442 V CA 1.415 63.648 62.300 -0.112 0.000 1.082 442 V CB -1.112 30.663 31.823 -0.080 0.000 0.680 442 V HN 0.513 nan 8.190 nan 0.000 0.469 443 A N -0.666 122.110 122.820 -0.074 0.000 2.172 443 A HA -0.147 4.173 4.320 0.001 0.000 0.216 443 A C 2.030 179.587 177.584 -0.045 0.000 1.154 443 A CA 1.026 53.035 52.037 -0.046 0.000 0.701 443 A CB -0.203 18.773 19.000 -0.040 0.000 0.789 443 A HN 0.561 nan 8.150 nan 0.000 0.465 444 Q N -0.459 119.304 119.800 -0.063 0.000 2.356 444 Q HA 0.253 4.593 4.340 0.001 0.000 0.205 444 Q C 0.112 176.085 176.000 -0.045 0.000 0.901 444 Q CA 0.035 55.808 55.803 -0.051 0.000 0.938 444 Q CB -0.153 28.548 28.738 -0.061 0.000 1.081 444 Q HN 0.600 nan 8.270 nan 0.000 0.517 445 L N 1.253 122.446 121.223 -0.050 0.000 2.562 445 L HA 0.091 4.431 4.340 0.001 0.000 0.271 445 L C 1.125 177.981 176.870 -0.023 0.000 1.167 445 L CA 0.861 55.677 54.840 -0.040 0.000 0.917 445 L CB -0.142 41.892 42.059 -0.041 0.000 1.187 445 L HN 0.465 nan 8.230 nan 0.000 0.482 446 G N 1.873 110.664 108.800 -0.016 0.000 2.175 446 G HA2 -0.330 3.631 3.960 0.001 0.000 0.244 446 G HA3 -0.330 3.631 3.960 0.001 0.000 0.244 446 G C 0.961 175.857 174.900 -0.006 0.000 0.982 446 G CA 0.564 45.659 45.100 -0.008 0.000 0.641 446 G HN 0.728 nan 8.290 nan 0.000 0.527 447 S N -0.753 114.941 115.700 -0.010 0.000 2.470 447 S HA 0.423 4.893 4.470 0.001 0.000 0.225 447 S C 2.247 176.846 174.600 -0.002 0.000 1.006 447 S CA 1.643 59.839 58.200 -0.006 0.000 0.934 447 S CB 0.331 63.525 63.200 -0.010 0.000 0.778 447 S HN 2.370 nan 8.310 nan 0.000 0.517 448 G N 0.797 109.595 108.800 -0.002 0.000 2.218 448 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 448 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 448 G C -0.109 174.793 174.900 0.004 0.000 0.994 448 G CA -0.215 44.887 45.100 0.003 0.000 0.637 448 G HN 0.554 nan 8.290 nan 0.000 0.505 449 K N 0.732 121.132 120.400 0.000 0.000 2.350 449 K HA 0.490 4.810 4.320 0.001 0.000 0.279 449 K C 0.172 176.774 176.600 0.003 0.000 1.027 449 K CA -0.269 56.021 56.287 0.004 0.000 0.969 449 K CB 2.010 34.510 32.500 -0.000 0.000 0.954 449 K HN 0.041 nan 8.250 nan 0.000 0.474 450 V N 5.969 125.891 119.914 0.014 0.000 2.334 450 V HA 0.138 4.259 4.120 0.001 0.000 0.267 450 V C -1.559 174.550 176.094 0.025 0.000 1.040 450 V CA -1.636 60.675 62.300 0.018 0.000 0.866 450 V CB 0.183 32.023 31.823 0.028 0.000 1.019 450 V HN 0.768 nan 8.190 nan 0.000 0.468 451 P HA 0.358 nan 4.420 nan 0.000 0.271 451 P C -0.554 176.781 177.300 0.058 0.000 1.216 451 P CA 0.101 63.212 63.100 0.018 0.000 0.776 451 P CB 1.726 33.401 31.700 -0.040 0.000 0.881 452 V N -1.904 118.071 119.914 0.103 0.000 3.155 452 V HA 0.903 5.024 4.120 0.001 0.000 0.313 452 V C 0.409 176.622 176.094 0.198 0.000 1.162 452 V CA 0.024 62.407 62.300 0.138 0.000 1.048 452 V CB 0.858 32.761 31.823 0.133 0.000 1.092 452 V HN 1.021 nan 8.190 nan 0.000 0.447 453 G N 1.752 110.686 108.800 0.224 0.000 2.512 453 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 453 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 453 G C 0.917 175.998 174.900 0.301 0.000 1.199 453 G CA 0.933 46.207 45.100 0.291 0.000 0.941 453 G HN 2.416 nan 8.290 nan 0.000 0.569 454 T N -1.992 112.776 114.554 0.357 0.000 3.051 454 T HA 0.096 4.447 4.350 0.001 0.000 0.269 454 T C 2.032 177.066 174.700 0.556 0.000 1.127 454 T CA 2.562 64.884 62.100 0.370 0.000 1.107 454 T CB -0.556 68.526 68.868 0.356 0.000 0.898 454 T HN 1.842 nan 8.240 nan 0.000 0.517 455 T N -2.261 112.540 114.554 0.413 0.000 3.054 455 T HA 0.642 4.992 4.350 0.001 0.000 0.255 455 T C 2.047 176.726 174.700 -0.034 0.000 1.035 455 T CA 0.204 62.404 62.100 0.166 0.000 0.941 455 T CB -0.022 68.894 68.868 0.080 0.000 1.026 455 T HN 0.365 nan 8.240 nan 0.000 0.533 456 A N 2.075 124.982 122.820 0.144 0.000 1.986 456 A HA -0.088 4.233 4.320 0.001 0.000 0.220 456 A C 1.980 179.613 177.584 0.081 0.000 1.171 456 A CA 1.598 53.699 52.037 0.106 0.000 0.640 456 A CB -1.263 17.830 19.000 0.156 0.000 0.811 456 A HN 0.903 nan 8.150 nan 0.000 0.451 457 Y N -2.140 118.226 120.300 0.109 0.000 2.569 457 Y HA 0.041 4.591 4.550 0.000 0.000 0.293 457 Y C 1.794 177.748 175.900 0.090 0.000 1.144 457 Y CA 0.955 59.115 58.100 0.100 0.000 1.321 457 Y CB -0.614 37.913 38.460 0.111 0.000 0.982 457 Y HN 0.212 nan 8.280 nan 0.000 0.558 458 M N 0.588 119.887 119.600 -0.502 0.000 2.562 458 M HA 0.063 4.544 4.480 0.001 0.000 0.257 458 M C 2.098 178.325 176.300 -0.122 0.000 1.099 458 M CA 1.010 56.088 55.300 -0.371 0.000 1.099 458 M CB -0.315 32.026 32.600 -0.431 0.000 1.427 458 M HN 0.592 nan 8.290 nan 0.000 0.489 459 G N 0.436 109.203 108.800 -0.054 0.000 2.464 459 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 459 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 459 G C 1.463 176.382 174.900 0.032 0.000 1.138 459 G CA 0.052 45.150 45.100 -0.003 0.000 0.793 459 G HN 0.399 nan 8.290 nan 0.000 0.539 460 R N 0.566 121.105 120.500 0.066 0.000 2.555 460 R HA 0.363 4.704 4.340 0.001 0.000 0.272 460 R C 2.259 178.629 176.300 0.118 0.000 1.089 460 R CA 0.214 56.379 56.100 0.110 0.000 1.126 460 R CB 0.219 30.613 30.300 0.155 0.000 1.250 460 R HN 0.265 nan 8.270 nan 0.000 0.551 461 A N 1.204 124.063 122.820 0.066 0.000 1.978 461 A HA -0.207 4.113 4.320 0.001 0.000 0.220 461 A C 2.329 179.947 177.584 0.057 0.000 1.170 461 A CA 1.848 53.915 52.037 0.051 0.000 0.636 461 A CB -0.318 18.688 19.000 0.009 0.000 0.810 461 A HN 0.437 nan 8.150 nan 0.000 0.448 462 A N -0.861 121.999 122.820 0.068 0.000 1.883 462 A HA -0.200 4.120 4.320 0.001 0.000 0.217 462 A C 2.093 179.737 177.584 0.101 0.000 1.186 462 A CA 2.222 54.301 52.037 0.071 0.000 0.624 462 A CB -0.823 18.220 19.000 0.071 0.000 0.822 462 A HN 0.768 nan 8.150 nan 0.000 0.444 463 H N -0.381 118.710 119.070 0.036 0.000 2.343 463 H HA 0.135 4.693 4.556 0.004 0.000 0.303 463 H C 1.738 177.095 175.328 0.049 0.000 1.068 463 H CA 1.596 57.668 56.048 0.039 0.000 1.359 463 H CB -0.313 29.474 29.762 0.042 0.000 1.402 463 H HN 0.309 nan 8.280 nan 0.000 0.515 464 L N -0.005 121.212 121.223 -0.011 0.000 2.127 464 L HA -0.164 4.177 4.340 0.001 0.000 0.211 464 L C 2.113 178.951 176.870 -0.053 0.000 1.089 464 L CA 0.938 55.753 54.840 -0.042 0.000 0.757 464 L CB -0.317 41.803 42.059 0.103 0.000 0.899 464 L HN 0.318 nan 8.230 nan 0.000 0.434 465 L N -0.453 120.754 121.223 -0.027 0.000 2.492 465 L HA -0.104 4.237 4.340 0.001 0.000 0.223 465 L C 1.856 178.702 176.870 -0.039 0.000 1.132 465 L CA 0.572 55.399 54.840 -0.020 0.000 0.850 465 L CB -0.094 41.965 42.059 -0.001 0.000 0.966 465 L HN 0.463 nan 8.230 nan 0.000 0.454 466 Q N -0.751 119.005 119.800 -0.074 0.000 2.086 466 Q HA 0.145 4.485 4.340 0.001 0.000 0.220 466 Q C 0.407 176.337 176.000 -0.117 0.000 0.792 466 Q CA -0.464 55.301 55.803 -0.064 0.000 1.062 466 Q CB -0.062 28.661 28.738 -0.024 0.000 1.198 466 Q HN 0.400 nan 8.270 nan 0.000 0.466 467 c N 0.840 119.311 118.600 -0.215 0.000 2.649 467 c HA 0.735 5.305 4.570 0.001 0.000 0.377 467 c C -0.066 173.966 174.090 -0.097 0.000 1.321 467 c CA -0.720 55.450 56.329 -0.266 0.000 2.368 467 c CB 0.583 42.845 42.510 -0.412 0.000 2.597 467 c HN 0.354 nan 8.230 nan 0.000 0.678 468 R N 1.396 121.863 120.500 -0.055 0.000 2.533 468 R HA 0.429 4.770 4.340 0.001 0.000 0.288 468 R C -0.609 175.690 176.300 -0.001 0.000 1.039 468 R CA -0.133 55.961 56.100 -0.009 0.000 0.909 468 R CB 1.659 31.960 30.300 0.002 0.000 1.195 468 R HN 0.944 nan 8.270 nan 0.000 0.438 469 S N 0.421 116.121 115.700 -0.001 0.000 2.562 469 S HA 0.188 4.658 4.470 0.001 0.000 0.281 469 S C 1.227 175.786 174.600 -0.068 0.000 1.333 469 S CA 0.237 58.412 58.200 -0.042 0.000 1.052 469 S CB 0.650 63.812 63.200 -0.063 0.000 0.884 469 S HN 0.716 nan 8.310 nan 0.000 0.506 470 G N 3.302 112.044 108.800 -0.096 0.000 3.088 470 G HA2 0.176 4.136 3.960 0.001 0.000 0.212 470 G HA3 0.176 4.136 3.960 0.001 0.000 0.212 470 G C 0.178 174.989 174.900 -0.148 0.000 1.173 470 G CA -0.220 44.825 45.100 -0.092 0.000 0.779 470 G HN 0.642 nan 8.290 nan 0.000 0.540 471 V N 0.850 120.620 119.914 -0.240 0.000 2.557 471 V HA 0.005 4.125 4.120 0.001 0.000 0.301 471 V C 0.925 176.928 176.094 -0.152 0.000 1.026 471 V CA 0.934 63.046 62.300 -0.314 0.000 1.137 471 V CB 1.061 32.544 31.823 -0.567 0.000 0.917 471 V HN 0.504 nan 8.190 nan 0.000 0.484 472 Q N 3.378 123.106 119.800 -0.120 0.000 2.210 472 Q HA 0.224 4.565 4.340 0.001 0.000 0.252 472 Q C 0.284 176.264 176.000 -0.033 0.000 0.811 472 Q CA 0.058 55.827 55.803 -0.057 0.000 0.953 472 Q CB 0.952 29.661 28.738 -0.049 0.000 1.136 472 Q HN 0.863 nan 8.270 nan 0.000 0.491 473 K N -1.749 118.623 120.400 -0.048 0.000 2.512 473 K HA 0.709 5.030 4.320 0.001 0.000 0.263 473 K C 0.236 176.848 176.600 0.021 0.000 0.966 473 K CA -0.128 56.153 56.287 -0.009 0.000 0.851 473 K CB 1.294 33.782 32.500 -0.019 0.000 1.395 473 K HN -0.138 nan 8.250 nan 0.000 0.440 474 A N 1.285 124.146 122.820 0.069 0.000 1.917 474 A HA -0.266 4.055 4.320 0.001 0.000 0.219 474 A C 2.343 179.995 177.584 0.114 0.000 1.182 474 A CA 2.688 54.808 52.037 0.137 0.000 0.633 474 A CB -1.531 17.515 19.000 0.076 0.000 0.819 474 A HN 0.972 nan 8.150 nan 0.000 0.448 475 E N 0.058 120.272 120.200 0.024 0.000 2.265 475 E HA -0.228 4.123 4.350 0.001 0.000 0.196 475 E C 1.484 178.051 176.600 -0.055 0.000 0.996 475 E CA 1.434 57.822 56.400 -0.020 0.000 0.832 475 E CB -0.892 28.784 29.700 -0.041 0.000 0.756 475 E HN 0.705 nan 8.360 nan 0.000 0.491 476 D N -0.864 119.484 120.400 -0.088 0.000 2.263 476 D HA -0.110 4.530 4.640 0.001 0.000 0.208 476 D C 1.193 177.363 176.300 -0.217 0.000 0.971 476 D CA 0.592 54.480 54.000 -0.187 0.000 0.867 476 D CB -0.343 40.291 40.800 -0.278 0.000 0.929 476 D HN 0.773 nan 8.370 nan 0.000 0.492 477 W N 0.661 121.923 121.300 -0.064 0.000 3.077 477 W HA 0.128 4.789 4.660 0.003 0.000 0.245 477 W C 1.631 178.078 176.519 -0.120 0.000 1.316 477 W CA -0.108 57.216 57.345 -0.036 0.000 1.537 477 W CB -0.029 29.420 29.460 -0.018 0.000 1.131 477 W HN -0.050 nan 8.180 nan 0.000 0.695 478 L N -0.442 120.708 121.223 -0.121 0.000 2.607 478 L HA 0.097 4.438 4.340 0.001 0.000 0.228 478 L C 0.597 177.148 176.870 -0.533 0.000 1.123 478 L CA 0.170 54.630 54.840 -0.633 0.000 0.890 478 L CB -0.514 41.254 42.059 -0.485 0.000 1.103 478 L HN -0.105 nan 8.230 nan 0.000 0.468 479 N N 1.667 120.267 118.700 -0.167 0.000 2.411 479 N HA 0.088 4.828 4.740 0.001 0.000 0.259 479 N C -1.404 174.174 175.510 0.114 0.000 1.103 479 N CA -1.417 51.602 53.050 -0.051 0.000 0.954 479 N CB 1.395 39.842 38.487 -0.067 0.000 1.085 479 N HN -0.131 nan 8.380 nan 0.000 0.485 480 P HA -0.200 nan 4.420 nan 0.000 0.216 480 P C 0.101 177.484 177.300 0.138 0.000 1.150 480 P CA 1.379 64.613 63.100 0.224 0.000 0.843 480 P CB 0.309 32.105 31.700 0.161 0.000 0.787 481 D N -0.329 120.123 120.400 0.087 0.000 2.144 481 D HA -0.072 4.568 4.640 0.001 0.000 0.200 481 D C 2.149 178.496 176.300 0.079 0.000 0.978 481 D CA 0.850 54.892 54.000 0.069 0.000 0.833 481 D CB -0.402 40.420 40.800 0.038 0.000 0.961 481 D HN 0.075 nan 8.370 nan 0.000 0.470 482 V N 1.028 120.973 119.914 0.051 0.000 2.307 482 V HA -0.178 3.942 4.120 0.001 0.000 0.245 482 V C 2.708 178.892 176.094 0.151 0.000 1.045 482 V CA 0.937 63.234 62.300 -0.006 0.000 1.024 482 V CB -0.354 31.357 31.823 -0.187 0.000 0.651 482 V HN 0.032 nan 8.190 nan 0.000 0.449 483 V N -0.187 119.902 119.914 0.293 0.000 2.307 483 V HA -0.238 3.882 4.120 0.001 0.000 0.245 483 V C 2.316 178.661 176.094 0.418 0.000 1.045 483 V CA 1.900 64.489 62.300 0.482 0.000 1.024 483 V CB -0.520 31.554 31.823 0.418 0.000 0.651 483 V HN 0.427 nan 8.190 nan 0.000 0.449 484 L N -0.150 121.212 121.223 0.231 0.000 2.046 484 L HA -0.214 4.126 4.340 0.001 0.000 0.208 484 L C 2.631 179.626 176.870 0.208 0.000 1.077 484 L CA 2.042 56.981 54.840 0.166 0.000 0.747 484 L CB -0.584 41.524 42.059 0.081 0.000 0.896 484 L HN 0.439 nan 8.230 nan 0.000 0.432 485 E N 0.367 120.686 120.200 0.198 0.000 2.110 485 E HA -0.246 4.104 4.350 0.001 0.000 0.193 485 E C 2.200 178.934 176.600 0.222 0.000 0.988 485 E CA 1.156 57.666 56.400 0.183 0.000 0.804 485 E CB 0.044 29.836 29.700 0.154 0.000 0.745 485 E HN 0.462 nan 8.360 nan 0.000 0.458 486 A N 0.463 123.480 122.820 0.329 0.000 1.858 486 A HA -0.167 4.153 4.320 0.001 0.000 0.216 486 A C 1.906 179.726 177.584 0.394 0.000 1.190 486 A CA 1.366 53.659 52.037 0.427 0.000 0.617 486 A CB -0.916 18.455 19.000 0.618 0.000 0.827 486 A HN 0.344 nan 8.150 nan 0.000 0.443 487 F N 0.220 120.351 119.950 0.302 0.000 2.186 487 F HA -0.073 4.454 4.527 0.000 0.000 0.299 487 F C 2.463 178.218 175.800 -0.075 0.000 1.090 487 F CA 1.660 59.748 58.000 0.146 0.000 1.307 487 F CB -0.320 38.754 39.000 0.122 0.000 1.019 487 F HN 0.326 nan 8.300 nan 0.000 0.489 488 E N -0.045 120.200 120.200 0.076 0.000 2.047 488 E HA -0.174 4.177 4.350 0.001 0.000 0.191 488 E C 2.444 179.077 176.600 0.055 0.000 0.987 488 E CA 1.020 57.344 56.400 -0.127 0.000 0.799 488 E CB -0.378 29.289 29.700 -0.055 0.000 0.752 488 E HN 0.342 nan 8.360 nan 0.000 0.449 489 A N 1.929 124.793 122.820 0.072 0.000 1.902 489 A HA -0.229 4.092 4.320 0.001 0.000 0.217 489 A C 2.145 179.707 177.584 -0.036 0.000 1.181 489 A CA 1.568 53.632 52.037 0.046 0.000 0.623 489 A CB -0.522 18.499 19.000 0.036 0.000 0.818 489 A HN 0.091 nan 8.150 nan 0.000 0.443 490 R N -0.146 120.255 120.500 -0.165 0.000 2.070 490 R HA -0.129 4.212 4.340 0.001 0.000 0.233 490 R C 2.303 178.467 176.300 -0.227 0.000 1.137 490 R CA 1.728 57.601 56.100 -0.379 0.000 0.945 490 R CB -0.577 29.116 30.300 -1.011 0.000 0.845 490 R HN 0.403 nan 8.270 nan 0.000 0.430 491 A N 1.484 124.227 122.820 -0.128 0.000 1.877 491 A HA -0.178 4.143 4.320 0.001 0.000 0.216 491 A C 2.141 179.794 177.584 0.115 0.000 1.186 491 A CA 1.356 53.405 52.037 0.020 0.000 0.620 491 A CB -0.707 18.364 19.000 0.118 0.000 0.822 491 A HN 0.391 nan 8.150 nan 0.000 0.443 492 L N -0.219 121.124 121.223 0.199 0.000 1.989 492 L HA -0.155 4.186 4.340 0.001 0.000 0.211 492 L C 2.468 179.370 176.870 0.054 0.000 1.071 492 L CA 2.612 57.555 54.840 0.171 0.000 0.749 492 L CB -0.744 41.438 42.059 0.205 0.000 0.890 492 L HN 0.456 nan 8.230 nan 0.000 0.431 493 R N -0.708 119.803 120.500 0.017 0.000 2.096 493 R HA -0.204 4.137 4.340 0.001 0.000 0.240 493 R C 2.196 178.482 176.300 -0.024 0.000 1.139 493 R CA 2.367 58.458 56.100 -0.015 0.000 0.952 493 R CB -0.448 29.826 30.300 -0.043 0.000 0.854 493 R HN 0.434 nan 8.270 nan 0.000 0.436 494 M N -0.651 118.925 119.600 -0.040 0.000 2.117 494 M HA -0.098 4.383 4.480 0.001 0.000 0.262 494 M C 2.344 178.633 176.300 -0.018 0.000 1.065 494 M CA 1.936 57.210 55.300 -0.042 0.000 1.114 494 M CB -0.329 32.230 32.600 -0.068 0.000 1.361 494 M HN 0.364 nan 8.290 nan 0.000 0.408 495 A N -0.280 122.541 122.820 0.001 0.000 1.930 495 A HA -0.068 4.253 4.320 0.001 0.000 0.217 495 A C 2.211 179.792 177.584 -0.006 0.000 1.175 495 A CA 1.357 53.395 52.037 0.000 0.000 0.627 495 A CB -0.859 18.144 19.000 0.006 0.000 0.815 495 A HN 0.300 nan 8.150 nan 0.000 0.443 496 V N -0.302 119.609 119.914 -0.004 0.000 2.427 496 V HA -0.188 3.932 4.120 0.001 0.000 0.248 496 V C 2.679 178.773 176.094 -0.001 0.000 1.051 496 V CA 2.345 64.641 62.300 -0.006 0.000 1.048 496 V CB -1.156 30.664 31.823 -0.005 0.000 0.666 496 V HN 0.584 nan 8.190 nan 0.000 0.456 497 T N -1.158 113.394 114.554 -0.004 0.000 2.821 497 T HA -0.205 4.146 4.350 0.001 0.000 0.267 497 T C 1.977 176.682 174.700 0.008 0.000 1.046 497 T CA 1.834 63.934 62.100 -0.001 0.000 1.139 497 T CB -0.446 68.416 68.868 -0.010 0.000 0.871 497 T HN 0.526 nan 8.240 nan 0.000 0.454 498 C N 1.565 120.866 119.300 0.002 0.000 2.432 498 C HA 0.093 4.553 4.460 0.001 0.000 0.277 498 C C 3.225 178.234 174.990 0.032 0.000 1.249 498 C CA 0.394 59.415 59.018 0.005 0.000 1.725 498 C CB -1.374 26.354 27.740 -0.019 0.000 2.028 498 C HN 0.656 nan 8.230 nan 0.000 0.477 499 A N 0.455 123.292 122.820 0.028 0.000 1.902 499 A HA -0.214 4.107 4.320 0.001 0.000 0.217 499 A C 2.154 179.768 177.584 0.049 0.000 1.181 499 A CA 1.692 53.753 52.037 0.040 0.000 0.623 499 A CB -0.477 18.533 19.000 0.017 0.000 0.818 499 A HN 0.698 nan 8.150 nan 0.000 0.443 500 K N -0.356 120.065 120.400 0.035 0.000 2.097 500 K HA -0.103 4.217 4.320 0.001 0.000 0.206 500 K C 1.476 178.108 176.600 0.053 0.000 1.049 500 K CA 1.344 57.651 56.287 0.033 0.000 0.933 500 K CB -0.182 32.328 32.500 0.017 0.000 0.717 500 K HN 0.426 nan 8.250 nan 0.000 0.442 501 N N 0.976 119.720 118.700 0.074 0.000 2.354 501 N HA -0.105 4.635 4.740 0.001 0.000 0.179 501 N C 1.638 177.304 175.510 0.260 0.000 1.021 501 N CA 0.566 53.691 53.050 0.125 0.000 0.887 501 N CB -0.050 38.517 38.487 0.134 0.000 0.974 501 N HN 0.064 nan 8.380 nan 0.000 0.437 502 L N 1.317 122.663 121.223 0.206 0.000 2.275 502 L HA 0.005 4.346 4.340 0.001 0.000 0.215 502 L C 1.688 178.712 176.870 0.257 0.000 1.119 502 L CA 1.164 56.150 54.840 0.242 0.000 0.790 502 L CB -0.516 41.631 42.059 0.146 0.000 0.919 502 L HN 0.098 nan 8.230 nan 0.000 0.443 503 S N -2.474 113.326 115.700 0.165 0.000 2.605 503 S HA 0.174 4.645 4.470 0.001 0.000 0.217 503 S C 1.559 176.206 174.600 0.078 0.000 0.958 503 S CA 0.306 58.574 58.200 0.112 0.000 0.919 503 S CB -0.324 62.913 63.200 0.061 0.000 0.780 503 S HN 0.409 nan 8.310 nan 0.000 0.507 504 K N 0.487 120.932 120.400 0.075 0.000 2.374 504 K HA 0.498 4.818 4.320 0.001 0.000 0.196 504 K C -0.117 176.299 176.600 -0.308 0.000 1.023 504 K CA -0.082 56.126 56.287 -0.132 0.000 1.103 504 K CB -0.427 31.932 32.500 -0.234 0.000 0.848 504 K HN 0.516 nan 8.250 nan 0.000 0.528 505 F N -0.805 119.154 119.950 0.015 0.000 2.538 505 F HA 0.469 4.996 4.527 0.001 0.000 0.325 505 F C 1.762 177.573 175.800 0.018 0.000 1.066 505 F CA -0.443 57.568 58.000 0.018 0.000 0.946 505 F CB 2.036 41.051 39.000 0.026 0.000 1.199 505 F HN 0.184 nan 8.300 nan 0.000 0.473 506 E N 0.991 121.306 120.200 0.192 0.000 2.015 506 E HA -0.135 4.216 4.350 0.001 0.000 0.191 506 E C 0.734 177.403 176.600 0.115 0.000 0.991 506 E CA 1.293 57.762 56.400 0.115 0.000 0.802 506 E CB -0.404 nan 29.700 nan 0.000 0.759 506 E HN 0.496 nan 8.360 nan 0.000 0.447 507 N N 0.537 119.313 118.700 0.125 0.000 2.422 507 N HA 0.047 4.788 4.740 0.001 0.000 0.264 507 N C 0.695 176.253 175.510 0.081 0.000 1.063 507 N CA 0.012 53.111 53.050 0.081 0.000 0.959 507 N CB 1.650 40.173 38.487 0.060 0.000 1.087 507 N HN 0.223 nan 8.380 nan 0.000 0.483 508 Q N 2.488 122.323 119.800 0.059 0.000 2.020 508 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 508 Q C 1.179 177.203 176.000 0.039 0.000 0.982 508 Q CA 1.773 57.608 55.803 0.054 0.000 0.838 508 Q CB -0.127 28.628 28.738 0.029 0.000 0.899 508 Q HN 0.703 nan 8.270 nan 0.000 0.423 509 E N -0.187 120.019 120.200 0.010 0.000 2.268 509 E HA -0.189 4.162 4.350 0.001 0.000 0.195 509 E C 1.726 178.345 176.600 0.031 0.000 0.995 509 E CA 1.185 57.588 56.400 0.006 0.000 0.836 509 E CB -0.100 29.586 29.700 -0.024 0.000 0.763 509 E HN 0.538 nan 8.360 nan 0.000 0.491 510 Q N -0.962 118.834 119.800 -0.006 0.000 2.062 510 Q HA -0.041 4.300 4.340 0.001 0.000 0.196 510 Q C 2.077 177.931 176.000 -0.243 0.000 0.967 510 Q CA 1.438 57.205 55.803 -0.061 0.000 0.832 510 Q CB -0.468 28.261 28.738 -0.014 0.000 0.899 510 Q HN 0.355 nan 8.270 nan 0.000 0.442 511 G N 0.184 108.764 108.800 -0.367 0.000 2.432 511 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 511 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 511 G C 1.174 175.783 174.900 -0.484 0.000 1.135 511 G CA 0.576 45.094 45.100 -0.971 0.000 0.767 511 G HN 0.440 nan 8.290 nan 0.000 0.550 512 F N 1.136 120.918 119.950 -0.280 0.000 2.102 512 F HA -0.097 4.431 4.527 0.001 0.000 0.298 512 F C 2.917 178.620 175.800 -0.162 0.000 1.105 512 F CA 1.829 59.730 58.000 -0.164 0.000 1.239 512 F CB 0.041 38.987 39.000 -0.091 0.000 0.991 512 F HN 0.069 nan 8.300 nan 0.000 0.474 513 Q N 0.122 119.928 119.800 0.009 0.000 2.124 513 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 513 Q C 2.129 178.034 176.000 -0.158 0.000 0.977 513 Q CA 1.692 57.467 55.803 -0.046 0.000 0.850 513 Q CB -0.610 28.130 28.738 0.003 0.000 0.901 513 Q HN 0.489 nan 8.270 nan 0.000 0.429 514 E N 0.523 120.570 120.200 -0.255 0.000 2.204 514 E HA -0.092 4.259 4.350 0.001 0.000 0.195 514 E C 1.154 177.632 176.600 -0.203 0.000 0.990 514 E CA 0.761 57.013 56.400 -0.248 0.000 0.821 514 E CB 0.023 29.455 29.700 -0.446 0.000 0.750 514 E HN 0.298 nan 8.360 nan 0.000 0.477 515 L N 0.080 121.139 121.223 -0.274 0.000 2.769 515 L HA 0.222 4.563 4.340 0.001 0.000 0.240 515 L C 1.510 178.211 176.870 -0.281 0.000 1.163 515 L CA -0.262 54.446 54.840 -0.220 0.000 0.962 515 L CB 0.084 42.025 42.059 -0.196 0.000 1.258 515 L HN 0.098 nan 8.230 nan 0.000 0.513 516 L N 0.644 121.681 121.223 -0.310 0.000 2.064 516 L HA -0.319 4.021 4.340 0.001 0.000 0.216 516 L C 2.861 179.614 176.870 -0.194 0.000 1.077 516 L CA 1.786 56.440 54.840 -0.311 0.000 0.766 516 L CB -0.567 41.382 42.059 -0.183 0.000 0.890 516 L HN 0.471 nan 8.230 nan 0.000 0.435 517 A N -0.396 122.348 122.820 -0.127 0.000 1.902 517 A HA -0.217 4.104 4.320 0.001 0.000 0.217 517 A C 1.936 179.473 177.584 -0.079 0.000 1.181 517 A CA 1.910 53.900 52.037 -0.079 0.000 0.623 517 A CB -0.452 18.518 19.000 -0.050 0.000 0.818 517 A HN 0.408 nan 8.150 nan 0.000 0.443 518 D N 0.008 120.352 120.400 -0.093 0.000 2.144 518 D HA -0.077 4.564 4.640 0.001 0.000 0.200 518 D C 1.950 178.193 176.300 -0.095 0.000 0.978 518 D CA 0.919 54.872 54.000 -0.078 0.000 0.833 518 D CB -0.260 40.501 40.800 -0.066 0.000 0.961 518 D HN 0.447 nan 8.370 nan 0.000 0.470 519 L N 0.525 121.654 121.223 -0.157 0.000 2.056 519 L HA -0.135 4.206 4.340 0.001 0.000 0.207 519 L C 2.587 179.405 176.870 -0.086 0.000 1.078 519 L CA 0.559 55.299 54.840 -0.167 0.000 0.749 519 L CB -0.291 41.537 42.059 -0.384 0.000 0.901 519 L HN -0.088 nan 8.230 nan 0.000 0.433 520 V N -0.206 119.660 119.914 -0.081 0.000 2.343 520 V HA -0.256 3.864 4.120 0.001 0.000 0.247 520 V C 2.367 178.453 176.094 -0.013 0.000 1.051 520 V CA 1.753 64.036 62.300 -0.028 0.000 1.036 520 V CB -0.481 31.328 31.823 -0.024 0.000 0.654 520 V HN 0.473 nan 8.190 nan 0.000 0.451 521 E N 0.441 120.623 120.200 -0.030 0.000 2.072 521 E HA -0.177 4.173 4.350 0.001 0.000 0.191 521 E C 2.350 178.924 176.600 -0.043 0.000 0.985 521 E CA 1.261 57.638 56.400 -0.038 0.000 0.801 521 E CB -0.330 29.344 29.700 -0.044 0.000 0.750 521 E HN 0.599 nan 8.360 nan 0.000 0.452 522 A N 1.689 124.491 122.820 -0.030 0.000 1.902 522 A HA -0.119 4.201 4.320 0.001 0.000 0.217 522 A C 2.411 180.025 177.584 0.050 0.000 1.181 522 A CA 1.708 53.741 52.037 -0.007 0.000 0.623 522 A CB -0.572 18.423 19.000 -0.009 0.000 0.818 522 A HN 0.288 nan 8.150 nan 0.000 0.443 523 A N -0.134 122.720 122.820 0.058 0.000 1.898 523 A HA -0.051 4.270 4.320 0.001 0.000 0.216 523 A C 2.113 179.778 177.584 0.135 0.000 1.181 523 A CA 1.456 53.564 52.037 0.117 0.000 0.620 523 A CB -0.577 18.479 19.000 0.094 0.000 0.819 523 A HN 0.486 nan 8.150 nan 0.000 0.442 524 I N -0.207 120.402 120.570 0.066 0.000 2.226 524 I HA -0.286 3.885 4.170 0.001 0.000 0.245 524 I C 2.947 179.088 176.117 0.040 0.000 1.100 524 I CA 1.021 62.350 61.300 0.049 0.000 1.374 524 I CB -0.278 37.724 38.000 0.004 0.000 1.057 524 I HN 0.364 nan 8.210 nan 0.000 0.413 525 A N 0.042 122.860 122.820 -0.002 0.000 1.933 525 A HA -0.309 4.011 4.320 0.001 0.000 0.218 525 A C 2.175 179.815 177.584 0.094 0.000 1.175 525 A CA 2.140 54.164 52.037 -0.022 0.000 0.628 525 A CB -0.949 17.989 19.000 -0.105 0.000 0.814 525 A HN 0.544 nan 8.150 nan 0.000 0.444 526 H N -0.773 118.334 119.070 0.063 0.000 2.357 526 H HA -0.136 4.420 4.556 0.001 0.000 0.301 526 H C 1.975 177.371 175.328 0.113 0.000 1.082 526 H CA 2.143 58.261 56.048 0.117 0.000 1.342 526 H CB -0.593 29.276 29.762 0.177 0.000 1.389 526 H HN 0.423 nan 8.280 nan 0.000 0.511 527 C N 0.658 119.998 119.300 0.067 0.000 2.429 527 C HA -0.110 4.350 4.460 0.001 0.000 0.277 527 C C 2.623 177.639 174.990 0.042 0.000 1.262 527 C CA 1.138 60.167 59.018 0.018 0.000 1.733 527 C CB -0.783 27.008 27.740 0.085 0.000 2.010 527 C HN 0.695 nan 8.230 nan 0.000 0.483 528 Q N 0.255 120.127 119.800 0.121 0.000 2.119 528 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 528 Q C 2.211 178.303 176.000 0.154 0.000 0.972 528 Q CA 1.190 57.130 55.803 0.228 0.000 0.847 528 Q CB -0.383 28.537 28.738 0.303 0.000 0.903 528 Q HN 0.629 nan 8.270 nan 0.000 0.433 529 L N 0.900 122.181 121.223 0.097 0.000 2.012 529 L HA -0.185 4.156 4.340 0.001 0.000 0.210 529 L C 1.959 178.739 176.870 -0.150 0.000 1.073 529 L CA 1.681 56.508 54.840 -0.021 0.000 0.748 529 L CB -0.433 41.562 42.059 -0.107 0.000 0.891 529 L HN 0.180 nan 8.230 nan 0.000 0.431 530 I N -1.364 119.089 120.570 -0.195 0.000 2.163 530 I HA -0.295 3.875 4.170 0.001 0.000 0.243 530 I C 2.362 178.377 176.117 -0.170 0.000 1.085 530 I CA 1.424 62.580 61.300 -0.239 0.000 1.347 530 I CB -0.429 37.422 38.000 -0.247 0.000 1.044 530 I HN 0.129 nan 8.210 nan 0.000 0.408 531 V N 0.384 120.281 119.914 -0.028 0.000 2.295 531 V HA -0.241 3.879 4.120 0.001 0.000 0.246 531 V C 2.445 178.577 176.094 0.063 0.000 1.049 531 V CA 1.588 63.921 62.300 0.055 0.000 1.024 531 V CB -0.479 31.480 31.823 0.227 0.000 0.648 531 V HN 0.241 nan 8.190 nan 0.000 0.447 532 V N 1.152 121.103 119.914 0.062 0.000 2.343 532 V HA -0.248 3.873 4.120 0.001 0.000 0.247 532 V C 2.713 178.740 176.094 -0.112 0.000 1.051 532 V CA 2.364 64.634 62.300 -0.051 0.000 1.036 532 V CB -0.885 30.666 31.823 -0.453 0.000 0.654 532 V HN 0.780 nan 8.190 nan 0.000 0.451 533 S N -0.333 115.273 115.700 -0.157 0.000 2.402 533 S HA -0.167 4.303 4.470 0.001 0.000 0.229 533 S C 1.873 176.375 174.600 -0.162 0.000 1.021 533 S CA 0.851 58.953 58.200 -0.164 0.000 0.974 533 S CB -0.302 62.781 63.200 -0.195 0.000 0.800 533 S HN 0.468 nan 8.310 nan 0.000 0.484 534 K N 0.644 120.936 120.400 -0.179 0.000 2.228 534 K HA 0.246 4.567 4.320 0.001 0.000 0.202 534 K C 1.587 178.189 176.600 0.002 0.000 1.051 534 K CA 0.493 56.672 56.287 -0.180 0.000 0.960 534 K CB -0.644 31.710 32.500 -0.244 0.000 0.743 534 K HN 0.583 nan 8.250 nan 0.000 0.458 535 F N 1.059 120.951 119.950 -0.097 0.000 2.163 535 F HA -0.068 4.459 4.527 0.001 0.000 0.297 535 F C 2.026 177.749 175.800 -0.129 0.000 1.094 535 F CA 0.520 58.495 58.000 -0.042 0.000 1.290 535 F CB 0.121 39.095 39.000 -0.043 0.000 1.017 535 F HN -0.155 nan 8.300 nan 0.000 0.483 536 I N 0.189 120.797 120.570 0.063 0.000 2.226 536 I HA -0.315 3.855 4.170 0.001 0.000 0.245 536 I C 2.677 178.780 176.117 -0.024 0.000 1.100 536 I CA 1.129 62.403 61.300 -0.044 0.000 1.374 536 I CB -0.714 37.233 38.000 -0.088 0.000 1.057 536 I HN 0.169 nan 8.210 nan 0.000 0.413 537 A N 0.770 123.559 122.820 -0.051 0.000 1.902 537 A HA -0.266 4.055 4.320 0.001 0.000 0.217 537 A C 2.260 179.792 177.584 -0.087 0.000 1.181 537 A CA 1.976 53.966 52.037 -0.078 0.000 0.623 537 A CB -0.447 18.478 19.000 -0.124 0.000 0.818 537 A HN 0.269 nan 8.150 nan 0.000 0.443 538 K N 0.269 120.603 120.400 -0.110 0.000 2.147 538 K HA -0.006 4.314 4.320 0.001 0.000 0.205 538 K C 1.525 178.013 176.600 -0.188 0.000 1.049 538 K CA 1.306 57.457 56.287 -0.227 0.000 0.936 538 K CB -0.589 31.597 32.500 -0.524 0.000 0.722 538 K HN 0.481 nan 8.250 nan 0.000 0.446 539 L N 0.496 121.667 121.223 -0.086 0.000 2.456 539 L HA -0.059 4.282 4.340 0.001 0.000 0.224 539 L C 1.714 178.561 176.870 -0.038 0.000 1.148 539 L CA 0.928 55.742 54.840 -0.044 0.000 0.825 539 L CB -0.295 41.772 42.059 0.013 0.000 0.937 539 L HN 0.273 nan 8.230 nan 0.000 0.450 540 E N -0.382 119.791 120.200 -0.046 0.000 2.371 540 E HA -0.039 4.312 4.350 0.001 0.000 0.194 540 E C 0.623 177.199 176.600 -0.040 0.000 1.012 540 E CA 0.001 56.380 56.400 -0.035 0.000 0.860 540 E CB 0.228 29.907 29.700 -0.034 0.000 0.811 540 E HN 0.575 nan 8.360 nan 0.000 0.502 541 Q N 0.831 120.596 119.800 -0.058 0.000 2.500 541 Q HA 0.052 4.393 4.340 0.001 0.000 0.215 541 Q C -0.298 175.679 176.000 -0.038 0.000 1.062 541 Q CA 0.058 55.830 55.803 -0.052 0.000 0.996 541 Q CB 0.535 29.229 28.738 -0.072 0.000 1.239 541 Q HN -0.026 nan 8.270 nan 0.000 0.578 542 D N 1.412 121.796 120.400 -0.026 0.000 2.411 542 D HA 0.248 4.889 4.640 0.001 0.000 0.225 542 D C -0.764 175.528 176.300 -0.013 0.000 1.156 542 D CA 0.105 54.096 54.000 -0.015 0.000 0.874 542 D CB 0.305 41.101 40.800 -0.006 0.000 1.034 542 D HN 0.288 nan 8.370 nan 0.000 0.502 543 I N 1.783 122.344 120.570 -0.015 0.000 2.312 543 I HA 0.275 4.446 4.170 0.001 0.000 0.290 543 I C 1.218 177.339 176.117 0.006 0.000 1.008 543 I CA -0.728 60.568 61.300 -0.006 0.000 1.226 543 I CB 1.738 39.728 38.000 -0.017 0.000 1.371 543 I HN 0.127 nan 8.210 nan 0.000 0.468 544 G N 3.769 112.578 108.800 0.015 0.000 2.476 544 G HA2 0.587 4.548 3.960 0.001 0.000 0.269 544 G HA3 0.587 4.548 3.960 0.001 0.000 0.269 544 G C 0.043 174.959 174.900 0.028 0.000 1.195 544 G CA -0.194 44.918 45.100 0.019 0.000 0.843 544 G HN 1.026 nan 8.290 nan 0.000 0.545 545 G N 0.060 108.879 108.800 0.032 0.000 3.438 545 G HA2 0.014 3.975 3.960 0.001 0.000 0.684 545 G HA3 0.014 3.975 3.960 0.001 0.000 0.684 545 G C -0.218 174.716 174.900 0.057 0.000 1.192 545 G CA -0.266 44.864 45.100 0.051 0.000 1.013 545 G HN 0.796 nan 8.290 nan 0.000 0.530 546 K N 1.316 121.751 120.400 0.059 0.000 2.472 546 K HA 0.408 4.728 4.320 0.001 0.000 0.280 546 K C 1.684 178.341 176.600 0.095 0.000 1.028 546 K CA 1.400 57.721 56.287 0.058 0.000 1.045 546 K CB 0.019 32.547 32.500 0.046 0.000 0.902 546 K HN 2.277 nan 8.250 nan 0.000 0.478 547 G N 2.425 111.267 108.800 0.070 0.000 2.220 547 G HA2 -0.310 3.650 3.960 0.001 0.000 0.269 547 G HA3 -0.310 3.650 3.960 0.001 0.000 0.269 547 G C 0.777 175.703 174.900 0.044 0.000 0.977 547 G CA 0.432 45.583 45.100 0.085 0.000 0.634 547 G HN 0.483 nan 8.290 nan 0.000 0.539 548 V N 1.089 121.016 119.914 0.023 0.000 2.237 548 V HA -0.129 3.992 4.120 0.001 0.000 0.245 548 V C 2.652 178.678 176.094 -0.113 0.000 1.046 548 V CA 2.864 65.102 62.300 -0.104 0.000 1.007 548 V CB -0.433 31.377 31.823 -0.023 0.000 0.638 548 V HN 0.543 nan 8.190 nan 0.000 0.445 549 K N 0.162 120.537 120.400 -0.043 0.000 2.280 549 K HA -0.227 4.094 4.320 0.001 0.000 0.202 549 K C 2.210 178.791 176.600 -0.031 0.000 1.047 549 K CA 1.495 57.765 56.287 -0.028 0.000 0.942 549 K CB -0.098 32.394 32.500 -0.012 0.000 0.739 549 K HN 0.406 nan 8.250 nan 0.000 0.457 550 K N 0.045 120.422 120.400 -0.039 0.000 2.057 550 K HA -0.138 4.182 4.320 0.001 0.000 0.206 550 K C 2.010 178.572 176.600 -0.063 0.000 1.050 550 K CA 1.142 57.410 56.287 -0.033 0.000 0.935 550 K CB 0.164 32.656 32.500 -0.014 0.000 0.715 550 K HN 0.087 nan 8.250 nan 0.000 0.439 551 Q N 0.698 120.418 119.800 -0.133 0.000 2.123 551 Q HA -0.066 4.274 4.340 0.001 0.000 0.199 551 Q C 2.194 178.087 176.000 -0.179 0.000 0.966 551 Q CA 1.058 56.738 55.803 -0.205 0.000 0.845 551 Q CB -0.156 28.325 28.738 -0.429 0.000 0.907 551 Q HN 0.375 nan 8.270 nan 0.000 0.439 552 L N 1.039 122.188 121.223 -0.124 0.000 2.131 552 L HA -0.148 4.192 4.340 0.001 0.000 0.210 552 L C 2.298 179.196 176.870 0.047 0.000 1.092 552 L CA 0.905 55.775 54.840 0.050 0.000 0.759 552 L CB -0.495 41.666 42.059 0.169 0.000 0.903 552 L HN 0.302 nan 8.230 nan 0.000 0.435 553 N N 0.661 119.363 118.700 0.003 0.000 2.216 553 N HA -0.169 4.571 4.740 0.001 0.000 0.183 553 N C 1.463 177.004 175.510 0.052 0.000 1.017 553 N CA 1.252 54.323 53.050 0.035 0.000 0.861 553 N CB -0.035 38.488 38.487 0.060 0.000 0.986 553 N HN 0.474 nan 8.380 nan 0.000 0.428 554 N N 0.420 119.117 118.700 -0.005 0.000 2.084 554 N HA -0.088 4.652 4.740 0.001 0.000 0.190 554 N C 1.891 177.387 175.510 -0.024 0.000 1.030 554 N CA 0.838 53.886 53.050 -0.003 0.000 0.849 554 N CB 0.015 38.475 38.487 -0.045 0.000 1.012 554 N HN 0.199 nan 8.380 nan 0.000 0.423 555 L N 0.308 121.484 121.223 -0.078 0.000 2.093 555 L HA -0.158 4.183 4.340 0.001 0.000 0.208 555 L C 2.790 179.508 176.870 -0.253 0.000 1.085 555 L CA 0.508 55.320 54.840 -0.046 0.000 0.755 555 L CB -0.575 41.516 42.059 0.052 0.000 0.904 555 L HN 0.422 nan 8.230 nan 0.000 0.435 556 C N -0.120 118.699 119.300 -0.801 0.000 2.413 556 C HA -0.255 4.205 4.460 0.001 0.000 0.277 556 C C 2.755 177.273 174.990 -0.786 0.000 1.228 556 C CA 0.937 58.986 59.018 -1.615 0.000 1.731 556 C CB -0.765 26.086 27.740 -1.482 0.000 2.042 556 C HN 0.506 nan 8.230 nan 0.000 0.468 557 Y N 0.387 120.526 120.300 -0.267 0.000 2.457 557 Y HA 0.161 4.711 4.550 0.000 0.000 0.292 557 Y C 2.293 178.168 175.900 -0.041 0.000 1.125 557 Y CA 0.969 59.004 58.100 -0.107 0.000 1.254 557 Y CB -0.320 38.097 38.460 -0.070 0.000 1.012 557 Y HN 0.298 nan 8.280 nan 0.000 0.555 558 I N -1.295 119.323 120.570 0.079 0.000 2.202 558 I HA -0.340 3.830 4.170 0.001 0.000 0.242 558 I C 2.232 178.460 176.117 0.184 0.000 1.091 558 I CA 1.427 62.803 61.300 0.127 0.000 1.368 558 I CB -0.363 37.752 38.000 0.190 0.000 1.058 558 I HN 0.204 nan 8.210 nan 0.000 0.410 559 Y N 1.726 122.059 120.300 0.055 0.000 2.128 559 Y HA -0.332 4.219 4.550 0.001 0.000 0.284 559 Y C 2.496 178.488 175.900 0.154 0.000 1.154 559 Y CA 1.675 59.853 58.100 0.130 0.000 1.149 559 Y CB -0.478 38.054 38.460 0.121 0.000 0.976 559 Y HN 0.134 nan 8.280 nan 0.000 0.505 560 A N 0.170 122.993 122.820 0.004 0.000 1.877 560 A HA -0.138 4.182 4.320 0.001 0.000 0.216 560 A C 2.270 179.916 177.584 0.104 0.000 1.186 560 A CA 1.875 53.886 52.037 -0.044 0.000 0.620 560 A CB -1.133 17.775 19.000 -0.153 0.000 0.822 560 A HN 0.537 nan 8.150 nan 0.000 0.443 561 L N -2.088 119.155 121.223 0.034 0.000 2.217 561 L HA -0.115 4.225 4.340 0.001 0.000 0.211 561 L C 2.535 179.367 176.870 -0.063 0.000 1.107 561 L CA 1.205 55.986 54.840 -0.098 0.000 0.783 561 L CB -0.575 41.399 42.059 -0.142 0.000 0.919 561 L HN 0.592 nan 8.230 nan 0.000 0.442 562 Y N 1.024 121.284 120.300 -0.067 0.000 2.163 562 Y HA -0.175 4.376 4.550 0.001 0.000 0.288 562 Y C 2.284 178.176 175.900 -0.014 0.000 1.136 562 Y CA 1.379 59.468 58.100 -0.018 0.000 1.147 562 Y CB -0.160 38.323 38.460 0.038 0.000 0.987 562 Y HN -0.021 nan 8.280 nan 0.000 0.509 563 L N -0.525 120.642 121.223 -0.092 0.000 2.141 563 L HA -0.171 4.170 4.340 0.001 0.000 0.209 563 L C 2.368 179.213 176.870 -0.041 0.000 1.094 563 L CA 0.896 55.712 54.840 -0.041 0.000 0.763 563 L CB -0.636 41.541 42.059 0.197 0.000 0.908 563 L HN 0.339 nan 8.230 nan 0.000 0.437 564 L N -0.325 120.787 121.223 -0.184 0.000 1.994 564 L HA -0.271 4.069 4.340 0.001 0.000 0.208 564 L C 2.561 179.161 176.870 -0.450 0.000 1.071 564 L CA 2.044 56.490 54.840 -0.656 0.000 0.745 564 L CB -0.677 40.888 42.059 -0.823 0.000 0.892 564 L HN 0.221 nan 8.230 nan 0.000 0.431 565 H N -0.300 118.516 119.070 -0.423 0.000 2.321 565 H HA -0.195 4.361 4.556 0.001 0.000 0.300 565 H C 2.351 177.476 175.328 -0.339 0.000 1.087 565 H CA 2.344 58.184 56.048 -0.346 0.000 1.319 565 H CB -0.044 29.539 29.762 -0.298 0.000 1.379 565 H HN 0.385 nan 8.280 nan 0.000 0.501 566 K N -0.715 119.417 120.400 -0.448 0.000 2.103 566 K HA -0.159 4.161 4.320 0.001 0.000 0.207 566 K C 0.536 176.792 176.600 -0.572 0.000 1.048 566 K CA 1.583 57.519 56.287 -0.584 0.000 0.930 566 K CB 0.045 32.067 32.500 -0.797 0.000 0.716 566 K HN 0.531 nan 8.250 nan 0.000 0.444 567 H N 0.188 119.180 119.070 -0.129 0.000 2.469 567 H HA 0.028 4.585 4.556 0.001 0.000 0.286 567 H C 1.143 176.511 175.328 0.066 0.000 1.106 567 H CA -0.173 55.866 56.048 -0.015 0.000 1.055 567 H CB 0.680 30.481 29.762 0.065 0.000 1.618 567 H HN 0.135 nan 8.280 nan 0.000 0.559 568 L N 1.285 122.494 121.223 -0.023 0.000 2.064 568 L HA -0.137 4.203 4.340 0.001 0.000 0.216 568 L C 2.341 179.256 176.870 0.075 0.000 1.077 568 L CA 2.186 57.009 54.840 -0.028 0.000 0.766 568 L CB -0.866 41.068 42.059 -0.209 0.000 0.890 568 L HN 0.364 nan 8.230 nan 0.000 0.435 569 G N -1.244 107.570 108.800 0.023 0.000 2.469 569 G HA2 -0.307 3.653 3.960 0.001 0.000 0.220 569 G HA3 -0.307 3.653 3.960 0.001 0.000 0.220 569 G C 1.256 176.173 174.900 0.029 0.000 1.136 569 G CA 0.952 46.063 45.100 0.018 0.000 0.759 569 G HN 0.485 nan 8.290 nan 0.000 0.562 570 D N 0.574 120.992 120.400 0.031 0.000 2.097 570 D HA -0.072 4.568 4.640 0.001 0.000 0.195 570 D C 2.195 178.406 176.300 -0.149 0.000 0.989 570 D CA 0.680 54.616 54.000 -0.105 0.000 0.827 570 D CB -0.485 40.165 40.800 -0.249 0.000 0.966 570 D HN 0.382 nan 8.370 nan 0.000 0.456 571 F N 0.745 120.635 119.950 -0.099 0.000 2.146 571 F HA -0.016 4.511 4.527 0.000 0.000 0.298 571 F C 2.438 178.210 175.800 -0.046 0.000 1.096 571 F CA 0.551 58.498 58.000 -0.090 0.000 1.275 571 F CB -0.547 38.381 39.000 -0.121 0.000 1.008 571 F HN -0.089 nan 8.300 nan 0.000 0.480 572 L N -1.125 120.186 121.223 0.147 0.000 2.275 572 L HA -0.155 4.186 4.340 0.001 0.000 0.215 572 L C 2.280 179.172 176.870 0.037 0.000 1.119 572 L CA 0.754 55.639 54.840 0.076 0.000 0.790 572 L CB -0.653 41.433 42.059 0.045 0.000 0.919 572 L HN 0.067 nan 8.230 nan 0.000 0.443 573 S N -0.829 114.879 115.700 0.014 0.000 2.453 573 S HA -0.134 4.337 4.470 0.001 0.000 0.231 573 S C 2.035 176.628 174.600 -0.011 0.000 1.005 573 S CA 1.615 59.811 58.200 -0.008 0.000 0.949 573 S CB -0.192 62.992 63.200 -0.027 0.000 0.774 573 S HN 0.631 nan 8.310 nan 0.000 0.510 574 T N -0.282 114.265 114.554 -0.012 0.000 3.067 574 T HA 0.056 4.406 4.350 0.001 0.000 0.261 574 T C 0.631 175.334 174.700 0.005 0.000 1.110 574 T CA 0.360 62.452 62.100 -0.014 0.000 1.113 574 T CB -0.317 68.533 68.868 -0.030 0.000 0.917 574 T HN 0.289 nan 8.240 nan 0.000 0.499 575 N N -0.274 118.440 118.700 0.023 0.000 2.693 575 N HA -0.175 4.566 4.740 0.001 0.000 0.249 575 N C 0.628 176.154 175.510 0.026 0.000 1.119 575 N CA 0.947 54.012 53.050 0.025 0.000 0.717 575 N CB -1.938 36.556 38.487 0.012 0.000 1.071 575 N HN 0.637 nan 8.380 nan 0.000 0.555 576 c N -0.129 118.497 118.600 0.042 0.000 3.183 576 c HA 0.498 5.068 4.570 0.001 0.000 0.285 576 c C 0.490 174.631 174.090 0.085 0.000 1.313 576 c CA -0.180 56.171 56.329 0.038 0.000 1.711 576 c CB -0.408 42.114 42.510 0.021 0.000 2.135 576 c HN 0.317 nan 8.230 nan 0.000 0.651 577 I N 1.883 122.521 120.570 0.114 0.000 2.610 577 I HA 0.277 4.448 4.170 0.001 0.000 0.289 577 I C 0.118 176.306 176.117 0.118 0.000 1.163 577 I CA -0.007 61.389 61.300 0.160 0.000 1.044 577 I CB 2.378 40.532 38.000 0.256 0.000 1.251 577 I HN 0.238 nan 8.210 nan 0.000 0.424 578 T N 2.411 117.029 114.554 0.106 0.000 2.927 578 T HA 0.444 4.795 4.350 0.001 0.000 0.281 578 T C -1.792 172.953 174.700 0.075 0.000 0.998 578 T CA -1.808 60.336 62.100 0.074 0.000 1.019 578 T CB 1.761 70.662 68.868 0.056 0.000 1.061 578 T HN 0.341 nan 8.240 nan 0.000 0.518 579 P HA -0.094 nan 4.420 nan 0.000 0.217 579 P C 1.356 178.684 177.300 0.046 0.000 1.150 579 P CA 1.074 64.195 63.100 0.035 0.000 0.832 579 P CB 0.158 31.870 31.700 0.020 0.000 0.787 580 K N 0.449 120.880 120.400 0.052 0.000 2.063 580 K HA -0.186 4.135 4.320 0.001 0.000 0.208 580 K C 2.322 178.981 176.600 0.098 0.000 1.048 580 K CA 1.497 57.819 56.287 0.057 0.000 0.928 580 K CB -0.252 32.276 32.500 0.046 0.000 0.713 580 K HN 0.085 nan 8.250 nan 0.000 0.442 581 Q N -0.329 119.555 119.800 0.139 0.000 2.167 581 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 581 Q C 2.073 178.270 176.000 0.329 0.000 0.970 581 Q CA 1.307 57.274 55.803 0.274 0.000 0.855 581 Q CB -0.086 28.823 28.738 0.284 0.000 0.911 581 Q HN 0.419 nan 8.270 nan 0.000 0.438 582 A N 0.391 123.293 122.820 0.137 0.000 1.898 582 A HA -0.185 4.136 4.320 0.001 0.000 0.216 582 A C 2.175 179.733 177.584 -0.044 0.000 1.181 582 A CA 1.620 53.638 52.037 -0.032 0.000 0.620 582 A CB -0.704 18.266 19.000 -0.050 0.000 0.819 582 A HN 0.302 nan 8.150 nan 0.000 0.442 583 S N -0.476 115.235 115.700 0.019 0.000 2.382 583 S HA -0.094 4.377 4.470 0.001 0.000 0.228 583 S C 1.901 176.510 174.600 0.015 0.000 1.027 583 S CA 1.420 59.627 58.200 0.012 0.000 0.991 583 S CB -0.484 62.731 63.200 0.025 0.000 0.823 583 S HN 0.491 nan 8.310 nan 0.000 0.469 584 L N 0.892 122.167 121.223 0.087 0.000 2.141 584 L HA -0.017 4.323 4.340 0.001 0.000 0.209 584 L C 2.883 179.809 176.870 0.093 0.000 1.094 584 L CA 1.090 56.013 54.840 0.139 0.000 0.763 584 L CB -0.609 41.601 42.059 0.252 0.000 0.908 584 L HN 0.397 nan 8.230 nan 0.000 0.437 585 A N -0.004 122.745 122.820 -0.120 0.000 1.969 585 A HA -0.224 4.097 4.320 0.001 0.000 0.218 585 A C 2.033 179.416 177.584 -0.335 0.000 1.169 585 A CA 1.966 53.636 52.037 -0.613 0.000 0.635 585 A CB -0.582 17.619 19.000 -1.332 0.000 0.810 585 A HN 0.415 nan 8.150 nan 0.000 0.445 586 N N 0.140 118.707 118.700 -0.222 0.000 2.270 586 N HA -0.100 4.641 4.740 0.001 0.000 0.181 586 N C 1.031 176.446 175.510 -0.158 0.000 1.016 586 N CA 1.378 54.310 53.050 -0.196 0.000 0.870 586 N CB -0.147 38.260 38.487 -0.133 0.000 0.979 586 N HN 0.393 nan 8.380 nan 0.000 0.431 587 D N -0.363 119.982 120.400 -0.093 0.000 2.144 587 D HA -0.132 4.508 4.640 0.001 0.000 0.200 587 D C 1.718 177.974 176.300 -0.075 0.000 0.978 587 D CA 0.739 54.702 54.000 -0.061 0.000 0.833 587 D CB -0.257 40.534 40.800 -0.015 0.000 0.961 587 D HN 0.288 nan 8.370 nan 0.000 0.470 588 Q N 0.509 120.268 119.800 -0.069 0.000 2.119 588 Q HA -0.081 4.260 4.340 0.001 0.000 0.201 588 Q C 1.997 177.912 176.000 -0.143 0.000 0.972 588 Q CA 0.680 56.447 55.803 -0.061 0.000 0.847 588 Q CB -0.460 28.282 28.738 0.006 0.000 0.903 588 Q HN 0.207 nan 8.270 nan 0.000 0.433 589 L N 0.381 121.463 121.223 -0.234 0.000 2.017 589 L HA -0.128 4.213 4.340 0.001 0.000 0.208 589 L C 2.160 178.654 176.870 -0.626 0.000 1.073 589 L CA 1.886 56.472 54.840 -0.424 0.000 0.745 589 L CB -0.533 41.261 42.059 -0.441 0.000 0.894 589 L HN 0.150 nan 8.230 nan 0.000 0.432 590 R N -1.151 119.113 120.500 -0.394 0.000 2.091 590 R HA -0.165 4.176 4.340 0.001 0.000 0.238 590 R C 2.519 178.773 176.300 -0.078 0.000 1.136 590 R CA 1.531 57.504 56.100 -0.212 0.000 0.959 590 R CB -0.633 29.625 30.300 -0.069 0.000 0.856 590 R HN 0.504 nan 8.270 nan 0.000 0.437 591 S N 0.745 116.398 115.700 -0.077 0.000 2.382 591 S HA -0.067 4.404 4.470 0.001 0.000 0.228 591 S C 1.975 176.577 174.600 0.003 0.000 1.027 591 S CA 0.876 59.065 58.200 -0.018 0.000 0.991 591 S CB -0.082 63.103 63.200 -0.025 0.000 0.823 591 S HN 0.228 nan 8.310 nan 0.000 0.469 592 L N -0.203 120.990 121.223 -0.050 0.000 2.093 592 L HA -0.083 4.257 4.340 0.001 0.000 0.208 592 L C 2.303 179.272 176.870 0.166 0.000 1.085 592 L CA 1.449 56.294 54.840 0.007 0.000 0.755 592 L CB -0.722 41.316 42.059 -0.035 0.000 0.904 592 L HN 0.447 nan 8.230 nan 0.000 0.435 593 Y N -0.118 120.271 120.300 0.148 0.000 2.165 593 Y HA -0.280 4.271 4.550 0.001 0.000 0.286 593 Y C 2.854 178.928 175.900 0.290 0.000 1.155 593 Y CA 1.085 59.381 58.100 0.327 0.000 1.164 593 Y CB -0.477 38.123 38.460 0.233 0.000 0.978 593 Y HN 0.173 nan 8.280 nan 0.000 0.513 594 T N -0.168 114.574 114.554 0.314 0.000 2.788 594 T HA -0.209 4.141 4.350 0.001 0.000 0.268 594 T C 1.639 176.420 174.700 0.135 0.000 1.044 594 T CA 1.377 63.594 62.100 0.194 0.000 1.139 594 T CB -0.263 68.675 68.868 0.117 0.000 0.867 594 T HN 0.416 nan 8.240 nan 0.000 0.454 595 Q N 0.116 119.976 119.800 0.101 0.000 2.119 595 Q HA -0.018 4.322 4.340 0.001 0.000 0.201 595 Q C 2.484 178.497 176.000 0.021 0.000 0.972 595 Q CA 0.950 56.782 55.803 0.049 0.000 0.847 595 Q CB -0.158 28.595 28.738 0.025 0.000 0.903 595 Q HN 0.339 nan 8.270 nan 0.000 0.433 596 V N 0.775 120.688 119.914 -0.001 0.000 2.591 596 V HA -0.210 3.910 4.120 0.001 0.000 0.249 596 V C 2.194 178.175 176.094 -0.189 0.000 1.053 596 V CA 1.443 63.638 62.300 -0.175 0.000 1.068 596 V CB -0.464 31.110 31.823 -0.416 0.000 0.689 596 V HN 0.264 nan 8.190 nan 0.000 0.462 597 R N 2.122 122.651 120.500 0.049 0.000 2.162 597 R HA -0.198 4.143 4.340 0.001 0.000 0.245 597 R C -0.088 176.254 176.300 0.070 0.000 1.129 597 R CA 2.873 59.098 56.100 0.209 0.000 0.940 597 R CB -2.024 28.424 30.300 0.247 0.000 0.875 597 R HN 0.459 nan 8.270 nan 0.000 0.437 598 P HA -0.068 nan 4.420 nan 0.000 0.223 598 P C -0.050 177.242 177.300 -0.014 0.000 1.151 598 P CA 1.284 64.386 63.100 0.005 0.000 0.787 598 P CB -0.132 31.570 31.700 0.004 0.000 0.788 599 N N -0.265 118.430 118.700 -0.009 0.000 2.353 599 N HA 0.068 4.809 4.740 0.001 0.000 0.185 599 N C 1.755 177.260 175.510 -0.009 0.000 1.098 599 N CA 0.546 53.622 53.050 0.044 0.000 0.872 599 N CB -0.107 38.460 38.487 0.135 0.000 0.970 599 N HN 0.064 nan 8.380 nan 0.000 0.467 600 A N 1.326 124.091 122.820 -0.090 0.000 1.859 600 A HA -0.176 4.145 4.320 0.001 0.000 0.218 600 A C 2.412 179.956 177.584 -0.068 0.000 1.209 600 A CA 1.811 53.778 52.037 -0.117 0.000 0.639 600 A CB -0.983 18.011 19.000 -0.011 0.000 0.835 600 A HN 0.075 nan 8.150 nan 0.000 0.450 601 V N -0.236 119.646 119.914 -0.053 0.000 2.287 601 V HA -0.265 3.856 4.120 0.001 0.000 0.248 601 V C 3.059 179.091 176.094 -0.104 0.000 1.053 601 V CA 2.162 64.414 62.300 -0.080 0.000 1.027 601 V CB -1.398 30.367 31.823 -0.096 0.000 0.646 601 V HN 0.672 nan 8.190 nan 0.000 0.447 602 A N -0.424 122.343 122.820 -0.088 0.000 1.972 602 A HA -0.151 4.170 4.320 0.001 0.000 0.219 602 A C 2.202 179.822 177.584 0.060 0.000 1.169 602 A CA 1.686 53.677 52.037 -0.077 0.000 0.635 602 A CB -0.557 18.278 19.000 -0.275 0.000 0.810 602 A HN 0.532 nan 8.150 nan 0.000 0.446 603 L N -0.173 121.081 121.223 0.053 0.000 2.201 603 L HA -0.132 4.209 4.340 0.001 0.000 0.212 603 L C 2.433 179.001 176.870 -0.503 0.000 1.105 603 L CA 1.335 56.119 54.840 -0.093 0.000 0.775 603 L CB -0.309 41.649 42.059 -0.168 0.000 0.913 603 L HN 0.481 nan 8.230 nan 0.000 0.440 604 V N -5.360 114.230 119.914 -0.540 0.000 3.354 604 V HA 0.017 4.138 4.120 0.001 0.000 0.258 604 V C 1.654 177.313 176.094 -0.725 0.000 1.159 604 V CA 0.717 62.423 62.300 -0.989 0.000 1.125 604 V CB -0.261 31.407 31.823 -0.257 0.000 0.774 604 V HN 0.216 nan 8.190 nan 0.000 0.464 605 D N 1.955 122.148 120.400 -0.345 0.000 2.224 605 D HA 0.028 4.668 4.640 0.001 0.000 0.205 605 D C 2.238 178.433 176.300 -0.174 0.000 0.965 605 D CA 1.634 55.557 54.000 -0.129 0.000 0.852 605 D CB -0.039 40.750 40.800 -0.019 0.000 0.947 605 D HN 0.581 nan 8.370 nan 0.000 0.494 606 A N 0.209 122.853 122.820 -0.294 0.000 2.131 606 A HA -0.140 4.181 4.320 0.001 0.000 0.220 606 A C 1.896 179.322 177.584 -0.264 0.000 1.158 606 A CA 0.670 52.597 52.037 -0.182 0.000 0.665 606 A CB -1.106 17.847 19.000 -0.078 0.000 0.795 606 A HN 0.256 nan 8.150 nan 0.000 0.460 607 F N -1.256 118.380 119.950 -0.524 0.000 2.365 607 F HA -0.085 4.443 4.527 0.001 0.000 0.300 607 F C 1.405 176.849 175.800 -0.593 0.000 1.090 607 F CA 0.509 57.923 58.000 -0.976 0.000 1.408 607 F CB -0.247 38.011 39.000 -1.237 0.000 1.060 607 F HN 0.379 nan 8.300 nan 0.000 0.534 608 N N -0.220 118.435 118.700 -0.075 0.000 2.725 608 N HA -0.275 4.465 4.740 0.001 0.000 0.249 608 N C -0.781 174.802 175.510 0.121 0.000 1.103 608 N CA 0.330 53.433 53.050 0.089 0.000 0.707 608 N CB -1.902 36.746 38.487 0.269 0.000 1.043 608 N HN 0.385 nan 8.380 nan 0.000 0.553 609 Y N 0.339 120.789 120.300 0.250 0.000 2.377 609 Y HA 0.167 4.718 4.550 0.001 0.000 0.330 609 Y C 1.631 177.644 175.900 0.189 0.000 1.108 609 Y CA -0.223 58.040 58.100 0.271 0.000 1.308 609 Y CB 0.666 39.355 38.460 0.382 0.000 1.216 609 Y HN 0.164 nan 8.280 nan 0.000 0.518 610 T N -1.541 113.205 114.554 0.320 0.000 2.904 610 T HA 0.057 4.408 4.350 0.001 0.000 0.290 610 T C 0.667 175.507 174.700 0.233 0.000 1.018 610 T CA -0.902 61.306 62.100 0.179 0.000 1.075 610 T CB 1.089 70.006 68.868 0.081 0.000 0.986 610 T HN 0.540 nan 8.240 nan 0.000 0.523 611 D N -0.302 120.198 120.400 0.167 0.000 2.182 611 D HA -0.163 4.477 4.640 0.001 0.000 0.201 611 D C 1.688 178.064 176.300 0.127 0.000 0.986 611 D CA 1.235 55.319 54.000 0.140 0.000 0.847 611 D CB -0.421 40.444 40.800 0.109 0.000 0.942 611 D HN 0.797 nan 8.370 nan 0.000 0.467 612 H N -0.475 118.643 119.070 0.080 0.000 2.319 612 H HA -0.208 4.348 4.556 0.001 0.000 0.299 612 H C 2.016 177.407 175.328 0.106 0.000 1.092 612 H CA 1.462 57.559 56.048 0.081 0.000 1.302 612 H CB -0.375 29.436 29.762 0.081 0.000 1.373 612 H HN 0.198 nan 8.280 nan 0.000 0.497 613 Y N 1.106 121.514 120.300 0.180 0.000 2.163 613 Y HA -0.135 4.416 4.550 0.001 0.000 0.288 613 Y C 2.787 178.647 175.900 -0.067 0.000 1.136 613 Y CA 1.300 59.458 58.100 0.097 0.000 1.147 613 Y CB -0.657 37.898 38.460 0.158 0.000 0.987 613 Y HN 0.123 nan 8.280 nan 0.000 0.509 614 L N 0.442 121.617 121.223 -0.081 0.000 2.083 614 L HA -0.269 4.071 4.340 0.001 0.000 0.209 614 L C 1.227 177.944 176.870 -0.254 0.000 1.083 614 L CA 1.716 56.425 54.840 -0.218 0.000 0.752 614 L CB -0.686 41.361 42.059 -0.021 0.000 0.899 614 L HN 0.420 nan 8.230 nan 0.000 0.433 615 N N 0.225 118.809 118.700 -0.194 0.000 2.714 615 N HA -0.201 4.539 4.740 0.001 0.000 0.252 615 N C -0.296 175.057 175.510 -0.263 0.000 1.014 615 N CA 0.377 53.284 53.050 -0.238 0.000 0.735 615 N CB -0.314 37.989 38.487 -0.308 0.000 0.924 615 N HN 0.207 nan 8.380 nan 0.000 0.540 616 S N -0.192 115.406 115.700 -0.170 0.000 2.647 616 S HA 0.408 4.879 4.470 0.001 0.000 0.300 616 S C 0.880 175.423 174.600 -0.094 0.000 1.129 616 S CA -0.777 57.324 58.200 -0.165 0.000 1.029 616 S CB 1.974 65.089 63.200 -0.141 0.000 1.007 616 S HN 0.103 nan 8.310 nan 0.000 0.484 617 V N 6.215 126.068 119.914 -0.100 0.000 2.548 617 V HA -0.089 4.031 4.120 0.001 0.000 0.249 617 V C 2.100 178.162 176.094 -0.053 0.000 1.055 617 V CA 1.678 63.945 62.300 -0.055 0.000 1.065 617 V CB -0.596 31.199 31.823 -0.047 0.000 0.681 617 V HN 0.847 nan 8.190 nan 0.000 0.462 618 L N 0.349 121.511 121.223 -0.100 0.000 2.156 618 L HA 0.056 4.396 4.340 0.001 0.000 0.208 618 L C 2.166 179.060 176.870 0.040 0.000 1.095 618 L CA 1.481 56.270 54.840 -0.086 0.000 0.770 618 L CB -0.743 41.102 42.059 -0.356 0.000 0.914 618 L HN 0.475 nan 8.230 nan 0.000 0.439 619 G N -0.249 108.555 108.800 0.007 0.000 3.434 619 G HA2 0.108 4.068 3.960 0.001 0.000 0.258 619 G HA3 0.108 4.068 3.960 0.001 0.000 0.258 619 G C 0.494 175.432 174.900 0.063 0.000 1.128 619 G CA -0.515 44.615 45.100 0.050 0.000 0.792 619 G HN 0.134 nan 8.290 nan 0.000 0.539 620 R N -0.418 120.112 120.500 0.049 0.000 2.638 620 R HA -0.048 4.293 4.340 0.001 0.000 0.268 620 R C 0.967 177.325 176.300 0.096 0.000 1.006 620 R CA -0.267 55.878 56.100 0.077 0.000 1.088 620 R CB 0.408 30.740 30.300 0.052 0.000 0.950 620 R HN 0.371 nan 8.270 nan 0.000 0.419 621 Y N 2.925 123.243 120.300 0.030 0.000 2.114 621 Y HA -0.306 4.244 4.550 0.001 0.000 0.282 621 Y C 1.757 177.657 175.900 -0.000 0.000 1.165 621 Y CA 2.458 60.573 58.100 0.024 0.000 1.148 621 Y CB -0.027 38.450 38.460 0.028 0.000 0.972 621 Y HN 0.752 nan 8.280 nan 0.000 0.504 622 D N -1.290 119.173 120.400 0.105 0.000 2.363 622 D HA 0.046 4.687 4.640 0.001 0.000 0.220 622 D C 1.748 178.010 176.300 -0.064 0.000 0.994 622 D CA 0.918 54.909 54.000 -0.014 0.000 0.890 622 D CB -0.705 40.086 40.800 -0.015 0.000 0.906 622 D HN 0.477 nan 8.370 nan 0.000 0.530 623 G N 0.492 109.271 108.800 -0.036 0.000 2.153 623 G HA2 -0.365 3.595 3.960 0.001 0.000 0.252 623 G HA3 -0.365 3.595 3.960 0.001 0.000 0.252 623 G C 0.209 175.128 174.900 0.031 0.000 0.994 623 G CA 0.191 45.285 45.100 -0.010 0.000 0.698 623 G HN 0.563 nan 8.290 nan 0.000 0.521 624 N N 0.348 119.066 118.700 0.030 0.000 3.034 624 N HA 0.459 5.200 4.740 0.001 0.000 0.265 624 N C 1.450 176.972 175.510 0.020 0.000 1.166 624 N CA 0.360 53.451 53.050 0.070 0.000 1.081 624 N CB 0.568 39.083 38.487 0.048 0.000 1.378 624 N HN 0.095 nan 8.380 nan 0.000 0.520 625 V N 2.222 122.099 119.914 -0.061 0.000 2.283 625 V HA -0.161 3.959 4.120 0.001 0.000 0.239 625 V C 1.359 177.425 176.094 -0.046 0.000 1.035 625 V CA 1.300 63.534 62.300 -0.109 0.000 1.018 625 V CB -1.117 30.572 31.823 -0.222 0.000 0.658 625 V HN 0.537 nan 8.190 nan 0.000 0.459 626 Y N 0.601 120.954 120.300 0.087 0.000 2.102 626 Y HA -0.218 4.333 4.550 0.001 0.000 0.280 626 Y C 0.336 176.300 175.900 0.108 0.000 1.178 626 Y CA 1.770 59.912 58.100 0.070 0.000 1.146 626 Y CB -2.001 36.511 38.460 0.087 0.000 0.968 626 Y HN 0.364 nan 8.280 nan 0.000 0.504 627 P HA -0.159 nan 4.420 nan 0.000 0.217 627 P C 1.180 178.586 177.300 0.178 0.000 1.150 627 P CA 1.550 64.772 63.100 0.203 0.000 0.832 627 P CB 0.058 31.844 31.700 0.143 0.000 0.787 628 K N -0.765 119.712 120.400 0.129 0.000 2.217 628 K HA 0.048 4.368 4.320 0.001 0.000 0.202 628 K C 2.046 178.705 176.600 0.098 0.000 1.051 628 K CA 0.756 57.101 56.287 0.097 0.000 0.952 628 K CB -0.865 31.670 32.500 0.058 0.000 0.736 628 K HN 0.269 nan 8.250 nan 0.000 0.453 629 L N -0.526 120.753 121.223 0.094 0.000 2.056 629 L HA -0.115 4.226 4.340 0.001 0.000 0.207 629 L C 2.338 179.247 176.870 0.064 0.000 1.078 629 L CA 1.182 56.044 54.840 0.035 0.000 0.749 629 L CB -0.360 41.674 42.059 -0.041 0.000 0.901 629 L HN 0.024 nan 8.230 nan 0.000 0.433 630 F N 0.445 120.416 119.950 0.036 0.000 2.134 630 F HA -0.262 4.266 4.527 0.001 0.000 0.299 630 F C 2.687 178.507 175.800 0.033 0.000 1.097 630 F CA 1.583 59.603 58.000 0.033 0.000 1.264 630 F CB 0.090 39.111 39.000 0.037 0.000 1.001 630 F HN 0.111 nan 8.300 nan 0.000 0.479 631 E N 0.094 120.456 120.200 0.269 0.000 2.058 631 E HA -0.242 4.109 4.350 0.001 0.000 0.194 631 E C 2.070 178.748 176.600 0.129 0.000 0.997 631 E CA 1.432 57.931 56.400 0.165 0.000 0.801 631 E CB -0.011 29.758 29.700 0.114 0.000 0.746 631 E HN 0.304 nan 8.360 nan 0.000 0.450 632 E N 0.182 120.449 120.200 0.111 0.000 2.106 632 E HA -0.157 4.194 4.350 0.001 0.000 0.192 632 E C 1.949 178.597 176.600 0.079 0.000 0.984 632 E CA 0.935 57.391 56.400 0.094 0.000 0.806 632 E CB -0.337 29.421 29.700 0.097 0.000 0.750 632 E HN 0.366 nan 8.360 nan 0.000 0.458 633 A N 1.467 124.327 122.820 0.067 0.000 1.883 633 A HA -0.177 4.143 4.320 0.001 0.000 0.217 633 A C 2.379 179.999 177.584 0.061 0.000 1.186 633 A CA 1.351 53.408 52.037 0.034 0.000 0.624 633 A CB -0.873 18.100 19.000 -0.044 0.000 0.822 633 A HN 0.226 nan 8.150 nan 0.000 0.444 634 L N -0.932 120.357 121.223 0.110 0.000 2.187 634 L HA -0.212 4.129 4.340 0.001 0.000 0.213 634 L C 2.290 179.196 176.870 0.059 0.000 1.100 634 L CA 1.605 56.505 54.840 0.100 0.000 0.765 634 L CB -0.435 41.697 42.059 0.123 0.000 0.904 634 L HN 0.389 nan 8.230 nan 0.000 0.437 635 K N -0.308 120.124 120.400 0.052 0.000 2.366 635 K HA -0.050 4.270 4.320 0.001 0.000 0.198 635 K C 0.426 177.031 176.600 0.007 0.000 1.044 635 K CA 0.054 56.359 56.287 0.030 0.000 0.973 635 K CB -0.170 32.350 32.500 0.033 0.000 0.767 635 K HN 0.211 nan 8.250 nan 0.000 0.475 636 D N 1.380 121.785 120.400 0.007 0.000 2.488 636 D HA -0.036 4.605 4.640 0.001 0.000 0.238 636 D C -1.304 174.988 176.300 -0.014 0.000 1.138 636 D CA -1.424 52.566 54.000 -0.016 0.000 0.873 636 D CB 1.011 41.805 40.800 -0.011 0.000 1.183 636 D HN -0.088 nan 8.370 nan 0.000 0.458 637 P HA -0.178 nan 4.420 nan 0.000 0.221 637 P C 1.403 178.699 177.300 -0.007 0.000 1.145 637 P CA 0.472 63.560 63.100 -0.019 0.000 0.795 637 P CB 0.227 31.908 31.700 -0.031 0.000 0.775 638 L N 0.243 121.463 121.223 -0.005 0.000 2.275 638 L HA 0.022 4.362 4.340 0.001 0.000 0.215 638 L C 1.545 178.421 176.870 0.011 0.000 1.119 638 L CA 1.518 56.361 54.840 0.005 0.000 0.790 638 L CB -1.170 40.892 42.059 0.006 0.000 0.919 638 L HN -0.105 nan 8.230 nan 0.000 0.443 639 N N -0.589 118.118 118.700 0.012 0.000 2.314 639 N HA -0.045 4.696 4.740 0.001 0.000 0.200 639 N C 0.691 176.211 175.510 0.016 0.000 1.135 639 N CA 0.215 53.276 53.050 0.019 0.000 0.835 639 N CB 0.072 38.577 38.487 0.030 0.000 0.989 639 N HN 0.297 nan 8.380 nan 0.000 0.478 640 D N 0.038 120.444 120.400 0.010 0.000 2.264 640 D HA -0.054 4.587 4.640 0.001 0.000 0.208 640 D C 0.608 176.914 176.300 0.009 0.000 0.966 640 D CA 0.864 54.870 54.000 0.009 0.000 0.864 640 D CB 0.201 41.005 40.800 0.006 0.000 0.933 640 D HN 0.248 nan 8.370 nan 0.000 0.499 641 S N -1.644 114.061 115.700 0.009 0.000 2.549 641 S HA 0.401 4.872 4.470 0.001 0.000 0.280 641 S C 0.774 175.373 174.600 -0.001 0.000 1.109 641 S CA -0.877 57.326 58.200 0.004 0.000 0.905 641 S CB 2.148 65.352 63.200 0.008 0.000 1.081 641 S HN -0.184 nan 8.310 nan 0.000 0.477 642 V N 1.342 121.249 119.914 -0.012 0.000 2.379 642 V HA 0.039 4.160 4.120 0.001 0.000 0.245 642 V C 0.758 176.824 176.094 -0.047 0.000 1.044 642 V CA 1.066 63.352 62.300 -0.024 0.000 1.036 642 V CB -0.280 31.525 31.823 -0.030 0.000 0.664 642 V HN 0.745 nan 8.190 nan 0.000 0.453 643 V N 3.364 123.240 119.914 -0.063 0.000 2.370 643 V HA 0.310 4.430 4.120 0.001 0.000 0.279 643 V C -1.953 174.126 176.094 -0.025 0.000 1.029 643 V CA -1.748 60.487 62.300 -0.108 0.000 0.870 643 V CB 1.133 32.843 31.823 -0.188 0.000 0.984 643 V HN 0.359 nan 8.190 nan 0.000 0.451 644 P HA 0.034 nan 4.420 nan 0.000 0.267 644 P C -0.628 176.735 177.300 0.106 0.000 1.200 644 P CA -0.167 62.970 63.100 0.062 0.000 0.772 644 P CB 0.753 32.500 31.700 0.078 0.000 0.855 645 D N 1.139 121.593 120.400 0.091 0.000 2.358 645 D HA 0.316 4.956 4.640 0.001 0.000 0.258 645 D C 1.333 177.717 176.300 0.141 0.000 1.223 645 D CA 1.223 55.282 54.000 0.098 0.000 0.886 645 D CB -0.512 40.331 40.800 0.072 0.000 1.120 645 D HN 0.667 nan 8.370 nan 0.000 0.482 646 G N 3.283 112.169 108.800 0.144 0.000 2.260 646 G HA2 -0.320 3.640 3.960 0.001 0.000 0.179 646 G HA3 -0.320 3.640 3.960 0.001 0.000 0.179 646 G C 0.762 175.750 174.900 0.147 0.000 1.002 646 G CA 0.168 45.383 45.100 0.191 0.000 0.677 646 G HN 0.517 nan 8.290 nan 0.000 0.486 647 Y N 1.618 121.940 120.300 0.037 0.000 2.070 647 Y HA -0.113 4.437 4.550 0.001 0.000 0.280 647 Y C 2.748 178.631 175.900 -0.028 0.000 1.148 647 Y CA 2.816 60.930 58.100 0.022 0.000 1.125 647 Y CB -0.172 38.297 38.460 0.017 0.000 0.975 647 Y HN 0.219 nan 8.280 nan 0.000 0.492 648 Q N 0.427 120.045 119.800 -0.303 0.000 2.135 648 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 648 Q C 1.933 177.702 176.000 -0.384 0.000 0.981 648 Q CA 2.322 57.882 55.803 -0.404 0.000 0.856 648 Q CB -0.280 28.362 28.738 -0.160 0.000 0.902 648 Q HN 0.716 nan 8.270 nan 0.000 0.425 649 E N -1.400 118.541 120.200 -0.432 0.000 2.190 649 E HA -0.040 4.311 4.350 0.001 0.000 0.191 649 E C 0.938 177.168 176.600 -0.618 0.000 0.978 649 E CA 0.659 56.683 56.400 -0.626 0.000 0.839 649 E CB 0.056 29.154 29.700 -1.003 0.000 0.787 649 E HN 0.464 nan 8.360 nan 0.000 0.473 650 Y N -0.925 119.329 120.300 -0.077 0.000 2.500 650 Y HA 0.364 4.915 4.550 0.001 0.000 0.246 650 Y C 1.405 177.276 175.900 -0.049 0.000 1.146 650 Y CA -0.272 57.800 58.100 -0.048 0.000 1.230 650 Y CB 0.779 39.232 38.460 -0.012 0.000 1.214 650 Y HN -0.082 nan 8.280 nan 0.000 0.526 651 L N -1.054 120.167 121.223 -0.003 0.000 2.614 651 L HA 0.181 4.521 4.340 0.001 0.000 0.185 651 L C 2.349 179.152 176.870 -0.112 0.000 1.098 651 L CA 0.219 55.062 54.840 0.005 0.000 0.852 651 L CB -0.117 42.038 42.059 0.160 0.000 1.213 651 L HN -0.066 nan 8.230 nan 0.000 0.491 652 R N 0.901 121.155 120.500 -0.410 0.000 2.103 652 R HA -0.170 4.171 4.340 0.001 0.000 0.242 652 R C -0.672 175.532 176.300 -0.160 0.000 1.142 652 R CA 1.949 57.842 56.100 -0.345 0.000 0.960 652 R CB -0.937 29.002 30.300 -0.601 0.000 0.858 652 R HN 0.187 nan 8.270 nan 0.000 0.439 653 P HA -0.125 nan 4.420 nan 0.000 0.218 653 P C 1.163 178.440 177.300 -0.037 0.000 1.148 653 P CA 1.040 64.090 63.100 -0.083 0.000 0.822 653 P CB 0.103 31.756 31.700 -0.079 0.000 0.784 654 V N -0.615 119.286 119.914 -0.022 0.000 2.255 654 V HA -0.212 3.909 4.120 0.001 0.000 0.243 654 V C 2.423 178.522 176.094 0.008 0.000 1.038 654 V CA 1.645 63.948 62.300 0.006 0.000 1.008 654 V CB -1.361 30.478 31.823 0.026 0.000 0.645 654 V HN 0.025 nan 8.190 nan 0.000 0.449 655 L N -0.194 121.037 121.223 0.014 0.000 2.042 655 L HA -0.208 4.133 4.340 0.001 0.000 0.210 655 L C 2.490 179.370 176.870 0.017 0.000 1.076 655 L CA 1.389 56.245 54.840 0.028 0.000 0.749 655 L CB -0.593 41.499 42.059 0.056 0.000 0.893 655 L HN 0.339 nan 8.230 nan 0.000 0.432 656 Q N -0.066 119.735 119.800 0.001 0.000 2.482 656 Q HA -0.037 4.303 4.340 0.001 0.000 0.209 656 Q C -0.025 175.973 176.000 -0.004 0.000 0.961 656 Q CA 0.210 56.012 55.803 -0.003 0.000 0.945 656 Q CB 0.141 28.869 28.738 -0.018 0.000 1.012 656 Q HN 0.416 nan 8.270 nan 0.000 0.515 657 Q N -0.044 119.755 119.800 -0.001 0.000 2.459 657 Q HA -0.207 4.134 4.340 0.001 0.000 0.322 657 Q C -0.549 175.448 176.000 -0.004 0.000 1.427 657 Q CA 0.758 56.561 55.803 0.000 0.000 0.861 657 Q CB -2.283 26.457 28.738 0.003 0.000 1.137 657 Q HN 0.596 nan 8.270 nan 0.000 0.394 658 Q N -0.120 119.675 119.800 -0.009 0.000 2.106 658 Q HA 0.555 4.896 4.340 0.001 0.000 0.273 658 Q C 0.109 176.103 176.000 -0.010 0.000 0.853 658 Q CA -0.236 55.559 55.803 -0.013 0.000 1.118 658 Q CB 0.900 29.624 28.738 -0.023 0.000 1.240 658 Q HN 0.423 nan 8.270 nan 0.000 0.445 659 L N 0.000 121.222 121.223 -0.002 0.000 2.949 659 L HA 0.000 4.341 4.340 0.001 0.000 0.249 659 L CA 0.000 54.843 54.840 0.004 0.000 0.813 659 L CB 0.000 42.061 42.059 0.004 0.000 0.961 659 L HN 0.000 nan 8.230 nan 0.000 0.502