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 2wk6_1_A DATA FIRST_RESID 35 DATA SEQUENCE QLPELIRMKR DGGRLSEADI RGFVAAVVNG SAQGAQIGAM LMAIRLRGMD DATA SEQUENCE LEETSVLTQA LAQSGQQLEW PEAWRQQLVD KHSTGGVGDK VSLVLAPALA DATA SEQUENCE ACGCKVPMIS GRGLGHTGGT LDKLESIPGF NVIQSPEQMQ VLLDQAGCCI DATA SEQUENCE VGQSEQLVPA DGILYAARDV TATVDSLPLI TASILSKKLV EGLSALVVDV DATA SEQUENCE KFGGAAVFPN QEQARELAKT LVGVGASLGL RVAAALTAMD KPLGRCVGHA DATA SEQUENCE LEVEEALLCM DGAGPPDLRD LVTTLGGALL WLSGHAGTQA QGAARVAAAL DATA SEQUENCE DDGSALGRFE RMLAAQGVDP GLARALCSGS PAERRQLLPR AREQEELLAP DATA SEQUENCE ADGTVELVRA LPLALVLHEL GAGRSRAGEP LRLGVGAELL VDVGQRLRRG DATA SEQUENCE TPWLRVHRDG PALSGPQSRA LQEALVLSDR APFAAPSPFA ELVLPPQ 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 35 Q HA 0.000 nan 4.340 nan 0.000 0.214 35 Q C 0.000 176.034 176.000 0.056 0.000 1.003 35 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 35 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 36 L N 1.870 123.134 121.223 0.069 0.000 2.011 36 L HA -0.212 4.130 4.340 0.003 0.000 0.225 36 L C -0.704 176.215 176.870 0.083 0.000 1.084 36 L CA 2.833 57.734 54.840 0.102 0.000 0.791 36 L CB -1.747 40.370 42.059 0.097 0.000 0.898 36 L HN 0.595 nan 8.230 nan 0.000 0.440 37 P HA -0.190 nan 4.420 nan 0.000 0.216 37 P C 1.572 178.893 177.300 0.034 0.000 1.150 37 P CA 1.379 64.504 63.100 0.043 0.000 0.843 37 P CB 0.141 31.860 31.700 0.032 0.000 0.787 38 E N -0.240 119.980 120.200 0.033 0.000 2.072 38 E HA -0.109 4.243 4.350 0.003 0.000 0.190 38 E C 1.905 178.519 176.600 0.023 0.000 0.982 38 E CA 0.989 57.404 56.400 0.024 0.000 0.803 38 E CB -1.171 28.543 29.700 0.023 0.000 0.755 38 E HN 0.092 nan 8.360 nan 0.000 0.453 39 L N 0.270 121.514 121.223 0.036 0.000 2.046 39 L HA -0.153 4.189 4.340 0.003 0.000 0.208 39 L C 2.558 179.426 176.870 -0.003 0.000 1.077 39 L CA 1.236 56.092 54.840 0.026 0.000 0.747 39 L CB -0.492 41.606 42.059 0.066 0.000 0.896 39 L HN 0.228 nan 8.230 nan 0.000 0.432 40 I N -0.814 119.763 120.570 0.011 0.000 2.226 40 I HA -0.267 3.905 4.170 0.003 0.000 0.245 40 I C 2.876 178.985 176.117 -0.014 0.000 1.100 40 I CA 0.893 62.186 61.300 -0.012 0.000 1.374 40 I CB -0.405 37.606 38.000 0.019 0.000 1.057 40 I HN 0.261 nan 8.210 nan 0.000 0.413 41 R N 1.080 121.581 120.500 0.001 0.000 2.096 41 R HA -0.135 4.207 4.340 0.003 0.000 0.235 41 R C 2.152 178.448 176.300 -0.007 0.000 1.127 41 R CA 1.696 57.796 56.100 -0.000 0.000 0.968 41 R CB -0.347 29.957 30.300 0.006 0.000 0.861 41 R HN 0.351 nan 8.270 nan 0.000 0.440 42 M N 0.213 119.808 119.600 -0.009 0.000 2.086 42 M HA -0.182 4.300 4.480 0.003 0.000 0.261 42 M C 2.220 178.508 176.300 -0.021 0.000 1.067 42 M CA 1.763 57.056 55.300 -0.012 0.000 1.116 42 M CB -0.277 32.317 32.600 -0.010 0.000 1.348 42 M HN -0.114 nan 8.290 nan 0.000 0.407 43 K N 0.769 121.148 120.400 -0.035 0.000 2.057 43 K HA -0.123 4.199 4.320 0.003 0.000 0.207 43 K C 1.902 178.482 176.600 -0.033 0.000 1.049 43 K CA 1.518 57.777 56.287 -0.046 0.000 0.931 43 K CB -0.412 32.039 32.500 -0.081 0.000 0.714 43 K HN 0.150 nan 8.250 nan 0.000 0.440 44 R N 0.457 120.941 120.500 -0.027 0.000 2.091 44 R HA -0.141 4.201 4.340 0.003 0.000 0.238 44 R C 0.675 176.967 176.300 -0.013 0.000 1.136 44 R CA 2.070 58.159 56.100 -0.017 0.000 0.959 44 R CB -0.368 29.925 30.300 -0.011 0.000 0.856 44 R HN 0.229 nan 8.270 nan 0.000 0.437 45 D N -0.771 119.622 120.400 -0.011 0.000 2.378 45 D HA 0.029 4.671 4.640 0.003 0.000 0.227 45 D C 0.840 177.135 176.300 -0.010 0.000 1.012 45 D CA 1.151 55.146 54.000 -0.008 0.000 0.905 45 D CB 0.184 40.980 40.800 -0.006 0.000 0.895 45 D HN 0.599 nan 8.370 nan 0.000 0.532 46 G N 0.334 109.126 108.800 -0.014 0.000 2.147 46 G HA2 -0.183 3.779 3.960 0.003 0.000 0.244 46 G HA3 -0.183 3.779 3.960 0.003 0.000 0.244 46 G C 0.658 175.550 174.900 -0.014 0.000 1.005 46 G CA 0.066 45.158 45.100 -0.014 0.000 0.713 46 G HN 0.592 nan 8.290 nan 0.000 0.515 47 G N -0.583 108.208 108.800 -0.015 0.000 2.477 47 G HA2 0.713 4.675 3.960 0.003 0.000 0.304 47 G HA3 0.713 4.675 3.960 0.003 0.000 0.304 47 G C 0.359 175.248 174.900 -0.017 0.000 1.175 47 G CA -0.274 44.818 45.100 -0.013 0.000 0.907 47 G HN 0.900 nan 8.290 nan 0.000 0.509 48 R N -0.009 120.483 120.500 -0.013 0.000 2.528 48 R HA 0.547 4.889 4.340 0.003 0.000 0.271 48 R C -0.767 175.524 176.300 -0.015 0.000 1.056 48 R CA -0.763 55.328 56.100 -0.015 0.000 1.117 48 R CB 0.945 31.239 30.300 -0.009 0.000 1.085 48 R HN 0.296 nan 8.270 nan 0.000 0.530 49 L N 2.164 123.376 121.223 -0.018 0.000 2.307 49 L HA 0.263 4.605 4.340 0.003 0.000 0.282 49 L C 0.691 177.561 176.870 0.000 0.000 1.051 49 L CA -0.785 54.047 54.840 -0.013 0.000 0.804 49 L CB 1.793 43.835 42.059 -0.028 0.000 1.197 49 L HN 0.956 nan 8.230 nan 0.000 0.431 50 S N 0.960 116.665 115.700 0.008 0.000 2.617 50 S HA 0.032 4.504 4.470 0.003 0.000 0.259 50 S C 0.960 175.572 174.600 0.020 0.000 1.301 50 S CA -0.204 58.004 58.200 0.013 0.000 0.984 50 S CB 1.083 64.291 63.200 0.014 0.000 0.954 50 S HN 0.787 nan 8.310 nan 0.000 0.572 51 E N 0.657 120.870 120.200 0.021 0.000 2.077 51 E HA -0.139 4.213 4.350 0.003 0.000 0.193 51 E C 2.116 178.737 176.600 0.035 0.000 0.989 51 E CA 1.165 57.582 56.400 0.027 0.000 0.800 51 E CB -0.648 29.066 29.700 0.023 0.000 0.746 51 E HN 0.804 nan 8.360 nan 0.000 0.452 52 A N 1.231 124.069 122.820 0.031 0.000 1.933 52 A HA -0.204 4.118 4.320 0.003 0.000 0.218 52 A C 1.787 179.400 177.584 0.049 0.000 1.175 52 A CA 1.766 53.824 52.037 0.035 0.000 0.628 52 A CB -0.458 18.558 19.000 0.027 0.000 0.814 52 A HN 0.294 nan 8.150 nan 0.000 0.444 53 D N 0.271 120.699 120.400 0.048 0.000 2.084 53 D HA -0.138 4.504 4.640 0.003 0.000 0.194 53 D C 1.966 178.328 176.300 0.103 0.000 0.990 53 D CA 1.118 55.156 54.000 0.064 0.000 0.826 53 D CB -0.347 40.477 40.800 0.040 0.000 0.971 53 D HN 0.320 nan 8.370 nan 0.000 0.453 54 I N 1.175 121.795 120.570 0.084 0.000 2.099 54 I HA -0.233 3.939 4.170 0.003 0.000 0.239 54 I C 2.452 178.665 176.117 0.160 0.000 1.066 54 I CA 1.214 62.586 61.300 0.120 0.000 1.324 54 I CB -0.862 37.181 38.000 0.072 0.000 1.037 54 I HN 0.025 nan 8.210 nan 0.000 0.401 55 R N 0.432 120.991 120.500 0.100 0.000 2.105 55 R HA -0.141 4.201 4.340 0.003 0.000 0.239 55 R C 2.403 178.749 176.300 0.076 0.000 1.135 55 R CA 1.384 57.531 56.100 0.078 0.000 0.967 55 R CB -0.760 29.569 30.300 0.049 0.000 0.861 55 R HN 0.498 nan 8.270 nan 0.000 0.442 56 G N 1.042 109.894 108.800 0.087 0.000 2.480 56 G HA2 -0.326 3.636 3.960 0.003 0.000 0.216 56 G HA3 -0.326 3.636 3.960 0.003 0.000 0.216 56 G C 1.220 176.174 174.900 0.089 0.000 1.200 56 G CA 0.709 45.854 45.100 0.076 0.000 0.782 56 G HN 0.295 nan 8.290 nan 0.000 0.554 57 F N 1.406 121.364 119.950 0.012 0.000 2.065 57 F HA -0.163 4.365 4.527 0.003 0.000 0.298 57 F C 2.741 178.550 175.800 0.015 0.000 1.112 57 F CA 1.937 59.945 58.000 0.014 0.000 1.212 57 F CB -0.534 38.475 39.000 0.015 0.000 0.975 57 F HN 0.010 nan 8.300 nan 0.000 0.476 58 V N 0.724 120.650 119.914 0.021 0.000 2.332 58 V HA -0.336 3.786 4.120 0.003 0.000 0.248 58 V C 2.764 178.775 176.094 -0.139 0.000 1.055 58 V CA 1.841 64.089 62.300 -0.087 0.000 1.038 58 V CB -1.665 30.200 31.823 0.071 0.000 0.651 58 V HN 0.551 nan 8.190 nan 0.000 0.450 59 A N -0.007 122.768 122.820 -0.076 0.000 1.902 59 A HA -0.127 4.195 4.320 0.003 0.000 0.217 59 A C 2.447 179.966 177.584 -0.108 0.000 1.181 59 A CA 2.096 54.093 52.037 -0.067 0.000 0.623 59 A CB -0.823 18.159 19.000 -0.030 0.000 0.818 59 A HN 0.583 nan 8.150 nan 0.000 0.443 60 A N -0.502 122.230 122.820 -0.147 0.000 1.940 60 A HA -0.007 4.315 4.320 0.003 0.000 0.219 60 A C 2.236 179.695 177.584 -0.209 0.000 1.176 60 A CA 1.873 53.815 52.037 -0.158 0.000 0.631 60 A CB -0.932 17.975 19.000 -0.155 0.000 0.814 60 A HN 0.397 nan 8.150 nan 0.000 0.446 61 V N -0.472 119.238 119.914 -0.341 0.000 2.237 61 V HA -0.243 3.879 4.120 0.003 0.000 0.245 61 V C 2.554 178.555 176.094 -0.155 0.000 1.046 61 V CA 2.055 64.174 62.300 -0.303 0.000 1.007 61 V CB -1.066 30.520 31.823 -0.395 0.000 0.638 61 V HN 0.358 nan 8.190 nan 0.000 0.445 62 V N 2.218 122.056 119.914 -0.127 0.000 2.287 62 V HA -0.255 3.867 4.120 0.003 0.000 0.248 62 V C 2.113 178.172 176.094 -0.058 0.000 1.053 62 V CA 2.421 64.678 62.300 -0.072 0.000 1.027 62 V CB -1.182 30.609 31.823 -0.054 0.000 0.646 62 V HN 0.935 nan 8.190 nan 0.000 0.447 63 N N 0.558 119.221 118.700 -0.062 0.000 2.449 63 N HA 0.158 4.900 4.740 0.003 0.000 0.191 63 N C 1.264 176.748 175.510 -0.044 0.000 1.161 63 N CA 0.954 53.976 53.050 -0.046 0.000 0.863 63 N CB 0.099 38.562 38.487 -0.040 0.000 0.980 63 N HN 0.473 nan 8.380 nan 0.000 0.458 64 G N -0.635 108.132 108.800 -0.054 0.000 2.189 64 G HA2 -0.381 3.581 3.960 0.003 0.000 0.267 64 G HA3 -0.381 3.581 3.960 0.003 0.000 0.267 64 G C 1.120 175.995 174.900 -0.042 0.000 0.975 64 G CA 0.830 45.903 45.100 -0.045 0.000 0.644 64 G HN 0.729 nan 8.290 nan 0.000 0.537 65 S N -0.598 115.072 115.700 -0.049 0.000 2.461 65 S HA 0.538 5.010 4.470 0.003 0.000 0.228 65 S C 1.451 176.028 174.600 -0.038 0.000 1.005 65 S CA 1.296 59.474 58.200 -0.036 0.000 0.942 65 S CB 0.147 63.328 63.200 -0.033 0.000 0.776 65 S HN 1.889 nan 8.310 nan 0.000 0.514 66 A N 1.911 124.692 122.820 -0.066 0.000 2.409 66 A HA 0.466 4.788 4.320 0.003 0.000 0.262 66 A C 0.259 177.826 177.584 -0.028 0.000 1.113 66 A CA -0.633 51.370 52.037 -0.057 0.000 0.790 66 A CB 0.226 19.143 19.000 -0.138 0.000 1.046 66 A HN 0.564 nan 8.150 nan 0.000 0.496 67 Q N 1.221 121.021 119.800 0.001 0.000 2.318 67 Q HA 0.381 4.723 4.340 0.003 0.000 0.222 67 Q C 1.531 177.545 176.000 0.023 0.000 1.003 67 Q CA -0.012 55.797 55.803 0.010 0.000 0.936 67 Q CB 0.716 29.464 28.738 0.017 0.000 1.204 67 Q HN 0.846 nan 8.270 nan 0.000 0.524 68 G N 0.659 109.474 108.800 0.024 0.000 2.491 68 G HA2 -0.330 3.632 3.960 0.003 0.000 0.218 68 G HA3 -0.330 3.632 3.960 0.003 0.000 0.218 68 G C 1.348 176.277 174.900 0.048 0.000 1.180 68 G CA 1.039 46.160 45.100 0.035 0.000 0.774 68 G HN 0.702 nan 8.290 nan 0.000 0.562 69 A N 0.340 123.186 122.820 0.042 0.000 1.917 69 A HA -0.163 4.159 4.320 0.003 0.000 0.219 69 A C 2.360 179.981 177.584 0.061 0.000 1.182 69 A CA 2.128 54.192 52.037 0.045 0.000 0.633 69 A CB -0.481 18.540 19.000 0.035 0.000 0.819 69 A HN 0.509 nan 8.150 nan 0.000 0.448 70 Q N -0.755 119.088 119.800 0.071 0.000 2.119 70 Q HA -0.082 4.260 4.340 0.003 0.000 0.201 70 Q C 2.059 178.160 176.000 0.167 0.000 0.972 70 Q CA 1.417 57.283 55.803 0.105 0.000 0.847 70 Q CB -0.297 28.502 28.738 0.102 0.000 0.903 70 Q HN 0.755 nan 8.270 nan 0.000 0.433 71 I N 0.382 121.047 120.570 0.157 0.000 2.179 71 I HA -0.207 3.965 4.170 0.003 0.000 0.242 71 I C 2.368 178.584 176.117 0.165 0.000 1.088 71 I CA 1.249 62.683 61.300 0.222 0.000 1.357 71 I CB -0.614 37.468 38.000 0.137 0.000 1.051 71 I HN 0.274 nan 8.210 nan 0.000 0.409 72 G N 0.363 109.224 108.800 0.102 0.000 2.418 72 G HA2 -0.245 3.717 3.960 0.003 0.000 0.217 72 G HA3 -0.245 3.717 3.960 0.003 0.000 0.217 72 G C 1.855 176.788 174.900 0.055 0.000 1.158 72 G CA 0.862 46.003 45.100 0.070 0.000 0.771 72 G HN 0.493 nan 8.290 nan 0.000 0.545 73 A N 0.447 123.301 122.820 0.057 0.000 1.865 73 A HA -0.054 4.268 4.320 0.003 0.000 0.217 73 A C 2.351 179.944 177.584 0.016 0.000 1.191 73 A CA 2.464 54.523 52.037 0.036 0.000 0.623 73 A CB -0.453 18.571 19.000 0.041 0.000 0.826 73 A HN 0.408 nan 8.150 nan 0.000 0.444 74 M N -0.066 119.547 119.600 0.022 0.000 2.117 74 M HA -0.057 4.425 4.480 0.003 0.000 0.262 74 M C 1.845 178.087 176.300 -0.096 0.000 1.065 74 M CA 1.560 56.809 55.300 -0.084 0.000 1.114 74 M CB -0.697 31.775 32.600 -0.214 0.000 1.361 74 M HN 0.364 nan 8.290 nan 0.000 0.408 75 L N -0.981 120.231 121.223 -0.018 0.000 2.079 75 L HA -0.228 4.114 4.340 0.003 0.000 0.210 75 L C 2.521 179.383 176.870 -0.013 0.000 1.081 75 L CA 1.388 56.224 54.840 -0.008 0.000 0.752 75 L CB -0.718 41.365 42.059 0.040 0.000 0.896 75 L HN 0.424 nan 8.230 nan 0.000 0.433 76 M N -0.170 119.428 119.600 -0.004 0.000 2.200 76 M HA -0.067 4.415 4.480 0.003 0.000 0.265 76 M C 2.271 178.564 176.300 -0.012 0.000 1.066 76 M CA 1.884 57.182 55.300 -0.002 0.000 1.127 76 M CB -0.402 32.201 32.600 0.006 0.000 1.379 76 M HN 0.160 nan 8.290 nan 0.000 0.420 77 A N 0.228 123.033 122.820 -0.025 0.000 1.883 77 A HA -0.151 4.171 4.320 0.003 0.000 0.217 77 A C 2.193 179.754 177.584 -0.038 0.000 1.186 77 A CA 2.078 54.096 52.037 -0.033 0.000 0.624 77 A CB -1.127 17.844 19.000 -0.049 0.000 0.822 77 A HN 0.581 nan 8.150 nan 0.000 0.444 78 I N -1.134 119.402 120.570 -0.056 0.000 2.179 78 I HA -0.241 3.931 4.170 0.003 0.000 0.242 78 I C 2.651 178.759 176.117 -0.016 0.000 1.088 78 I CA 1.698 62.968 61.300 -0.049 0.000 1.357 78 I CB -0.276 37.681 38.000 -0.070 0.000 1.051 78 I HN 0.294 nan 8.210 nan 0.000 0.409 79 R N 1.464 121.960 120.500 -0.006 0.000 2.117 79 R HA -0.148 4.194 4.340 0.003 0.000 0.243 79 R C 1.924 178.236 176.300 0.019 0.000 1.143 79 R CA 1.851 57.960 56.100 0.016 0.000 0.968 79 R CB -0.631 29.678 30.300 0.014 0.000 0.863 79 R HN 0.356 nan 8.270 nan 0.000 0.444 80 L N -0.982 120.245 121.223 0.007 0.000 2.298 80 L HA 0.126 4.468 4.340 0.003 0.000 0.209 80 L C 2.069 178.940 176.870 0.001 0.000 1.084 80 L CA 0.392 55.236 54.840 0.007 0.000 0.816 80 L CB -0.096 41.966 42.059 0.003 0.000 0.967 80 L HN 0.041 nan 8.230 nan 0.000 0.460 81 R N -0.028 120.468 120.500 -0.007 0.000 2.225 81 R HA 0.317 4.659 4.340 0.003 0.000 0.194 81 R C 0.781 177.075 176.300 -0.011 0.000 0.957 81 R CA 0.687 56.781 56.100 -0.010 0.000 1.042 81 R CB 0.012 30.302 30.300 -0.017 0.000 1.004 81 R HN 0.291 nan 8.270 nan 0.000 0.509 82 G N 1.024 109.818 108.800 -0.010 0.000 2.760 82 G HA2 -0.240 3.722 3.960 0.003 0.000 0.246 82 G HA3 -0.240 3.722 3.960 0.003 0.000 0.246 82 G C -0.501 174.390 174.900 -0.015 0.000 1.359 82 G CA -0.265 44.831 45.100 -0.007 0.000 0.861 82 G HN 0.078 nan 8.290 nan 0.000 0.541 83 M N 0.582 120.177 119.600 -0.009 0.000 2.520 83 M HA 0.383 4.865 4.480 0.003 0.000 0.283 83 M C -0.669 175.627 176.300 -0.006 0.000 1.237 83 M CA -0.713 54.580 55.300 -0.011 0.000 0.885 83 M CB 2.378 34.971 32.600 -0.011 0.000 1.727 83 M HN 0.914 nan 8.290 nan 0.000 0.468 84 D N 0.490 120.887 120.400 -0.006 0.000 2.451 84 D HA 0.337 4.979 4.640 0.003 0.000 0.259 84 D C 0.714 177.014 176.300 0.001 0.000 1.201 84 D CA -0.612 53.386 54.000 -0.004 0.000 1.028 84 D CB 0.766 41.564 40.800 -0.004 0.000 1.095 84 D HN 0.579 nan 8.370 nan 0.000 0.539 85 L N -0.985 120.239 121.223 0.002 0.000 2.265 85 L HA -0.093 4.249 4.340 0.003 0.000 0.215 85 L C 2.312 179.187 176.870 0.010 0.000 1.117 85 L CA 1.201 56.045 54.840 0.007 0.000 0.782 85 L CB -0.447 41.616 42.059 0.006 0.000 0.914 85 L HN 0.587 nan 8.230 nan 0.000 0.441 86 E N 0.211 120.415 120.200 0.008 0.000 2.051 86 E HA -0.173 4.179 4.350 0.003 0.000 0.189 86 E C 1.938 178.545 176.600 0.011 0.000 0.979 86 E CA 0.723 57.129 56.400 0.010 0.000 0.803 86 E CB 0.182 29.886 29.700 0.008 0.000 0.761 86 E HN 0.481 nan 8.360 nan 0.000 0.451 87 E N 0.064 120.268 120.200 0.007 0.000 2.038 87 E HA -0.178 4.174 4.350 0.003 0.000 0.195 87 E C 2.179 178.787 176.600 0.013 0.000 1.000 87 E CA 1.731 58.135 56.400 0.006 0.000 0.803 87 E CB -0.270 29.427 29.700 -0.004 0.000 0.750 87 E HN 0.217 nan 8.360 nan 0.000 0.448 88 T N 0.898 115.459 114.554 0.012 0.000 2.597 88 T HA -0.255 4.097 4.350 0.003 0.000 0.267 88 T C 2.105 176.821 174.700 0.026 0.000 1.053 88 T CA 1.781 63.893 62.100 0.020 0.000 1.165 88 T CB -0.480 68.401 68.868 0.021 0.000 0.863 88 T HN 0.127 nan 8.240 nan 0.000 0.427 89 S N 0.060 115.774 115.700 0.024 0.000 2.400 89 S HA -0.114 4.358 4.470 0.003 0.000 0.232 89 S C 2.077 176.694 174.600 0.029 0.000 1.025 89 S CA 1.091 59.307 58.200 0.026 0.000 0.993 89 S CB -0.463 62.750 63.200 0.022 0.000 0.808 89 S HN 0.324 nan 8.310 nan 0.000 0.478 90 V N 1.671 121.602 119.914 0.028 0.000 2.453 90 V HA -0.048 4.074 4.120 0.003 0.000 0.247 90 V C 2.350 178.470 176.094 0.044 0.000 1.048 90 V CA 1.442 63.762 62.300 0.033 0.000 1.049 90 V CB -0.582 31.259 31.823 0.030 0.000 0.672 90 V HN 0.489 nan 8.190 nan 0.000 0.457 91 L N -0.110 121.141 121.223 0.046 0.000 2.046 91 L HA -0.205 4.137 4.340 0.003 0.000 0.208 91 L C 2.615 179.523 176.870 0.063 0.000 1.077 91 L CA 2.189 57.068 54.840 0.064 0.000 0.747 91 L CB -0.561 41.531 42.059 0.056 0.000 0.896 91 L HN 0.423 nan 8.230 nan 0.000 0.432 92 T N -0.693 113.891 114.554 0.050 0.000 2.622 92 T HA -0.276 4.076 4.350 0.003 0.000 0.266 92 T C 1.755 176.481 174.700 0.043 0.000 1.047 92 T CA 1.634 63.761 62.100 0.046 0.000 1.159 92 T CB -0.285 68.606 68.868 0.038 0.000 0.863 92 T HN 0.433 nan 8.240 nan 0.000 0.422 93 Q N 0.702 120.525 119.800 0.039 0.000 2.096 93 Q HA -0.066 4.276 4.340 0.003 0.000 0.204 93 Q C 2.731 178.754 176.000 0.037 0.000 0.982 93 Q CA 1.447 57.271 55.803 0.035 0.000 0.850 93 Q CB -0.379 28.378 28.738 0.031 0.000 0.901 93 Q HN 0.572 nan 8.270 nan 0.000 0.422 94 A N 1.137 123.985 122.820 0.046 0.000 1.855 94 A HA -0.147 4.175 4.320 0.003 0.000 0.215 94 A C 2.111 179.725 177.584 0.049 0.000 1.191 94 A CA 1.082 53.149 52.037 0.050 0.000 0.613 94 A CB -0.741 18.301 19.000 0.070 0.000 0.829 94 A HN 0.272 nan 8.150 nan 0.000 0.442 95 L N -0.728 120.530 121.223 0.060 0.000 2.042 95 L HA -0.224 4.118 4.340 0.003 0.000 0.210 95 L C 3.112 180.007 176.870 0.041 0.000 1.076 95 L CA 1.164 56.038 54.840 0.057 0.000 0.749 95 L CB -0.765 41.336 42.059 0.071 0.000 0.893 95 L HN 0.471 nan 8.230 nan 0.000 0.432 96 A N -0.156 122.687 122.820 0.039 0.000 1.908 96 A HA -0.245 4.077 4.320 0.003 0.000 0.218 96 A C 2.138 179.737 177.584 0.025 0.000 1.181 96 A CA 1.625 53.682 52.037 0.033 0.000 0.627 96 A CB -0.438 18.582 19.000 0.034 0.000 0.818 96 A HN 0.517 nan 8.150 nan 0.000 0.445 97 Q N 0.106 119.920 119.800 0.023 0.000 2.425 97 Q HA -0.014 4.328 4.340 0.003 0.000 0.204 97 Q C 1.967 177.972 176.000 0.009 0.000 0.933 97 Q CA 0.730 56.542 55.803 0.015 0.000 0.939 97 Q CB -0.028 28.719 28.738 0.015 0.000 1.044 97 Q HN 0.841 nan 8.270 nan 0.000 0.513 98 S N -0.628 115.079 115.700 0.012 0.000 2.469 98 S HA -0.042 4.430 4.470 0.003 0.000 0.238 98 S C 1.006 175.605 174.600 -0.002 0.000 0.998 98 S CA 0.643 58.846 58.200 0.004 0.000 0.957 98 S CB 0.025 63.228 63.200 0.006 0.000 0.764 98 S HN 0.357 nan 8.310 nan 0.000 0.514 99 G N -0.384 108.416 108.800 0.000 0.000 3.247 99 G HA2 0.564 4.526 3.960 0.003 0.000 0.226 99 G HA3 0.564 4.526 3.960 0.003 0.000 0.226 99 G C -1.219 173.675 174.900 -0.011 0.000 1.220 99 G CA -0.917 44.179 45.100 -0.006 0.000 0.875 99 G HN 0.330 nan 8.290 nan 0.000 0.606 100 Q N -0.393 119.396 119.800 -0.018 0.000 2.317 100 Q HA 0.339 4.681 4.340 0.003 0.000 0.229 100 Q C -0.352 175.630 176.000 -0.030 0.000 0.984 100 Q CA -0.189 55.594 55.803 -0.032 0.000 0.911 100 Q CB 1.276 29.983 28.738 -0.050 0.000 1.217 100 Q HN 0.516 nan 8.270 nan 0.000 0.501 101 Q N 1.634 121.405 119.800 -0.048 0.000 2.307 101 Q HA 0.333 4.675 4.340 0.003 0.000 0.262 101 Q C -1.423 174.510 176.000 -0.112 0.000 0.961 101 Q CA -0.448 55.329 55.803 -0.044 0.000 0.882 101 Q CB 0.774 29.491 28.738 -0.034 0.000 1.264 101 Q HN 0.565 nan 8.270 nan 0.000 0.446 102 L N 4.234 125.387 121.223 -0.116 0.000 2.369 102 L HA 0.236 4.578 4.340 0.003 0.000 0.279 102 L C 0.126 176.638 176.870 -0.596 0.000 1.108 102 L CA -0.070 54.553 54.840 -0.361 0.000 0.852 102 L CB 0.571 42.519 42.059 -0.185 0.000 1.169 102 L HN 0.572 nan 8.230 nan 0.000 0.452 103 E N 3.243 123.001 120.200 -0.736 0.000 2.191 103 E HA 0.374 4.726 4.350 0.003 0.000 0.278 103 E C -1.266 174.859 176.600 -0.792 0.000 0.972 103 E CA -0.332 55.732 56.400 -0.560 0.000 0.804 103 E CB 1.865 31.387 29.700 -0.297 0.000 1.110 103 E HN 0.369 nan 8.360 nan 0.000 0.394 104 W N 1.359 122.664 121.300 0.009 0.000 3.032 104 W HA 0.373 5.035 4.660 0.004 0.000 0.341 104 W C -2.100 174.315 176.519 -0.173 0.000 1.202 104 W CA -1.939 55.385 57.345 -0.036 0.000 1.132 104 W CB -0.208 29.379 29.460 0.211 0.000 1.465 104 W HN 0.268 nan 8.180 nan 0.000 0.576 105 P HA -0.013 nan 4.420 nan 0.000 0.268 105 P C 0.379 177.628 177.300 -0.086 0.000 1.204 105 P CA 0.237 63.129 63.100 -0.348 0.000 0.768 105 P CB 1.144 32.330 31.700 -0.856 0.000 0.842 106 E N 3.062 123.243 120.200 -0.032 0.000 2.401 106 E HA -0.146 4.206 4.350 0.003 0.000 0.199 106 E C 1.559 178.201 176.600 0.071 0.000 1.023 106 E CA 1.229 57.656 56.400 0.044 0.000 0.859 106 E CB -0.448 29.263 29.700 0.019 0.000 0.780 106 E HN 0.490 nan 8.360 nan 0.000 0.523 107 A N -0.450 122.390 122.820 0.033 0.000 2.208 107 A HA -0.025 4.297 4.320 0.003 0.000 0.209 107 A C 1.038 178.825 177.584 0.338 0.000 1.161 107 A CA 0.397 52.509 52.037 0.124 0.000 0.782 107 A CB -0.400 18.650 19.000 0.083 0.000 0.816 107 A HN 0.422 nan 8.150 nan 0.000 0.477 108 W N -0.391 120.942 121.300 0.055 0.000 2.907 108 W HA 0.257 4.918 4.660 0.002 0.000 0.271 108 W C 1.908 178.435 176.519 0.014 0.000 1.253 108 W CA -0.633 56.724 57.345 0.021 0.000 1.501 108 W CB -0.643 28.820 29.460 0.005 0.000 1.047 108 W HN 0.421 nan 8.180 nan 0.000 0.610 109 R N 0.830 121.491 120.500 0.268 0.000 2.234 109 R HA -0.300 4.042 4.340 0.003 0.000 0.241 109 R C 1.810 178.184 176.300 0.123 0.000 1.115 109 R CA 2.722 58.927 56.100 0.174 0.000 0.913 109 R CB -0.520 29.857 30.300 0.128 0.000 0.911 109 R HN 0.034 nan 8.270 nan 0.000 0.430 110 Q N -0.163 119.704 119.800 0.112 0.000 2.472 110 Q HA -0.081 4.261 4.340 0.003 0.000 0.208 110 Q C 1.746 177.862 176.000 0.192 0.000 0.958 110 Q CA 1.003 56.866 55.803 0.099 0.000 0.932 110 Q CB 0.351 29.110 28.738 0.034 0.000 1.007 110 Q HN 0.611 nan 8.270 nan 0.000 0.508 111 Q N -0.234 119.646 119.800 0.134 0.000 2.354 111 Q HA 0.111 4.453 4.340 0.003 0.000 0.203 111 Q C 0.103 176.037 176.000 -0.110 0.000 0.933 111 Q CA 0.008 55.825 55.803 0.023 0.000 0.901 111 Q CB 0.371 29.066 28.738 -0.072 0.000 1.007 111 Q HN 0.274 nan 8.270 nan 0.000 0.495 112 L N 2.266 123.443 121.223 -0.078 0.000 2.456 112 L HA 0.127 4.469 4.340 0.003 0.000 0.277 112 L C -0.149 176.669 176.870 -0.086 0.000 1.124 112 L CA -0.408 54.341 54.840 -0.153 0.000 0.880 112 L CB 0.090 42.060 42.059 -0.148 0.000 1.192 112 L HN -0.078 nan 8.230 nan 0.000 0.463 113 V N -0.422 119.423 119.914 -0.114 0.000 3.181 113 V HA 0.820 4.942 4.120 0.003 0.000 0.308 113 V C -1.280 174.785 176.094 -0.048 0.000 1.214 113 V CA -0.656 61.610 62.300 -0.056 0.000 1.053 113 V CB 2.540 34.332 31.823 -0.053 0.000 1.069 113 V HN 0.597 nan 8.190 nan 0.000 0.441 114 D N 0.029 120.428 120.400 -0.001 0.000 2.694 114 D HA 0.641 5.283 4.640 0.003 0.000 0.260 114 D C -1.672 174.664 176.300 0.061 0.000 1.250 114 D CA -0.257 53.759 54.000 0.026 0.000 0.763 114 D CB 2.661 43.490 40.800 0.049 0.000 1.311 114 D HN 1.152 nan 8.370 nan 0.000 0.420 115 K N 0.287 120.735 120.400 0.080 0.000 2.469 115 K HA 0.747 5.069 4.320 0.003 0.000 0.254 115 K C -1.888 174.799 176.600 0.145 0.000 0.939 115 K CA -0.579 55.769 56.287 0.102 0.000 0.812 115 K CB 1.816 34.356 32.500 0.065 0.000 1.301 115 K HN 0.396 nan 8.250 nan 0.000 0.433 116 H N -0.441 118.663 119.070 0.058 0.000 2.851 116 H HA 0.584 5.142 4.556 0.003 0.000 0.372 116 H C -1.620 173.747 175.328 0.064 0.000 1.158 116 H CA -0.431 55.654 56.048 0.062 0.000 1.159 116 H CB 2.189 31.993 29.762 0.071 0.000 1.757 116 H HN 0.747 nan 8.280 nan 0.000 0.546 117 S N 1.178 116.797 115.700 -0.136 0.000 2.501 117 S HA 0.182 4.654 4.470 0.003 0.000 0.301 117 S C 0.991 175.619 174.600 0.047 0.000 1.096 117 S CA -0.005 58.186 58.200 -0.016 0.000 1.063 117 S CB 0.876 64.039 63.200 -0.062 0.000 1.042 117 S HN 0.828 nan 8.310 nan 0.000 0.494 118 T N 1.151 115.760 114.554 0.092 0.000 3.113 118 T HA 0.403 4.755 4.350 0.003 0.000 0.263 118 T C 1.066 175.771 174.700 0.010 0.000 1.143 118 T CA 0.452 62.605 62.100 0.088 0.000 1.090 118 T CB -0.931 67.985 68.868 0.081 0.000 0.922 118 T HN 1.718 nan 8.240 nan 0.000 0.521 119 G N -1.266 107.524 108.800 -0.016 0.000 2.770 119 G HA2 0.465 4.427 3.960 0.003 0.000 0.686 119 G HA3 0.465 4.427 3.960 0.003 0.000 0.686 119 G C -0.280 174.583 174.900 -0.062 0.000 1.180 119 G CA -0.627 44.441 45.100 -0.053 0.000 0.767 119 G HN 1.158 nan 8.290 nan 0.000 0.646 120 G N -1.313 107.451 108.800 -0.060 0.000 2.588 120 G HA2 0.810 4.772 3.960 0.003 0.000 0.281 120 G HA3 0.810 4.772 3.960 0.003 0.000 0.281 120 G C -1.349 173.539 174.900 -0.019 0.000 1.223 120 G CA 0.369 45.449 45.100 -0.034 0.000 0.871 120 G HN 1.699 nan 8.290 nan 0.000 0.492 121 V N 0.783 120.697 119.914 0.000 0.000 2.448 121 V HA 0.632 4.754 4.120 0.003 0.000 0.295 121 V C 1.169 177.247 176.094 -0.026 0.000 1.025 121 V CA 0.742 63.043 62.300 0.000 0.000 0.859 121 V CB 0.640 32.484 31.823 0.036 0.000 0.988 121 V HN 2.361 nan 8.190 nan 0.000 0.431 122 G N 3.922 112.692 108.800 -0.050 0.000 2.153 122 G HA2 -0.245 3.717 3.960 0.003 0.000 0.252 122 G HA3 -0.245 3.717 3.960 0.003 0.000 0.252 122 G C 0.087 174.953 174.900 -0.057 0.000 0.994 122 G CA 0.419 45.483 45.100 -0.059 0.000 0.698 122 G HN 0.885 nan 8.290 nan 0.000 0.521 123 D N 0.791 121.158 120.400 -0.055 0.000 2.558 123 D HA 0.320 4.962 4.640 0.003 0.000 0.221 123 D C 1.537 177.801 176.300 -0.061 0.000 1.143 123 D CA -0.222 53.747 54.000 -0.052 0.000 1.010 123 D CB 0.056 40.829 40.800 -0.045 0.000 1.068 123 D HN 0.364 nan 8.370 nan 0.000 0.511 124 K N 2.717 123.076 120.400 -0.068 0.000 2.570 124 K HA 0.067 4.389 4.320 0.003 0.000 0.210 124 K C 0.760 177.309 176.600 -0.086 0.000 1.048 124 K CA -0.242 55.997 56.287 -0.079 0.000 1.167 124 K CB -0.226 32.219 32.500 -0.091 0.000 0.892 124 K HN 0.165 nan 8.250 nan 0.000 0.480 125 V N 1.256 121.129 119.914 -0.069 0.000 2.287 125 V HA -0.275 3.847 4.120 0.003 0.000 0.248 125 V C 2.047 178.099 176.094 -0.070 0.000 1.053 125 V CA 2.270 64.533 62.300 -0.063 0.000 1.027 125 V CB -0.586 31.215 31.823 -0.037 0.000 0.646 125 V HN 0.458 nan 8.190 nan 0.000 0.447 126 S N -0.070 115.591 115.700 -0.064 0.000 2.400 126 S HA -0.129 4.343 4.470 0.003 0.000 0.232 126 S C 1.834 176.401 174.600 -0.055 0.000 1.025 126 S CA 1.390 59.558 58.200 -0.053 0.000 0.993 126 S CB -0.383 62.783 63.200 -0.057 0.000 0.808 126 S HN 0.495 nan 8.310 nan 0.000 0.478 127 L N 0.677 121.847 121.223 -0.089 0.000 2.201 127 L HA -0.053 4.289 4.340 0.003 0.000 0.212 127 L C 2.041 178.741 176.870 -0.283 0.000 1.105 127 L CA 0.776 55.530 54.840 -0.143 0.000 0.775 127 L CB -0.478 41.474 42.059 -0.179 0.000 0.913 127 L HN 0.250 nan 8.230 nan 0.000 0.440 128 V N -0.906 118.880 119.914 -0.213 0.000 2.492 128 V HA -0.127 3.995 4.120 0.003 0.000 0.241 128 V C 2.204 178.222 176.094 -0.127 0.000 1.041 128 V CA 0.671 62.842 62.300 -0.215 0.000 1.057 128 V CB 0.065 31.789 31.823 -0.165 0.000 0.711 128 V HN 0.264 nan 8.190 nan 0.000 0.468 129 L N 0.310 121.483 121.223 -0.083 0.000 2.046 129 L HA -0.178 4.164 4.340 0.003 0.000 0.208 129 L C 2.738 179.584 176.870 -0.039 0.000 1.077 129 L CA 1.758 56.567 54.840 -0.052 0.000 0.747 129 L CB -0.569 41.470 42.059 -0.033 0.000 0.896 129 L HN 0.404 nan 8.230 nan 0.000 0.432 130 A N 0.929 123.737 122.820 -0.021 0.000 1.869 130 A HA -0.196 4.126 4.320 0.003 0.000 0.218 130 A C -0.118 177.469 177.584 0.005 0.000 1.203 130 A CA 2.304 54.343 52.037 0.002 0.000 0.638 130 A CB -2.071 16.959 19.000 0.050 0.000 0.831 130 A HN 0.382 nan 8.150 nan 0.000 0.450 131 P HA -0.037 nan 4.420 nan 0.000 0.219 131 P C 1.358 178.655 177.300 -0.005 0.000 1.150 131 P CA 1.714 64.847 63.100 0.055 0.000 0.814 131 P CB -0.119 31.671 31.700 0.150 0.000 0.787 132 A N -0.450 122.349 122.820 -0.034 0.000 2.119 132 A HA -0.017 4.305 4.320 0.003 0.000 0.217 132 A C 2.297 179.849 177.584 -0.053 0.000 1.153 132 A CA 0.861 52.871 52.037 -0.044 0.000 0.692 132 A CB -1.271 17.697 19.000 -0.054 0.000 0.799 132 A HN 0.145 nan 8.150 nan 0.000 0.458 133 L N -1.397 119.788 121.223 -0.063 0.000 2.145 133 L HA 0.035 4.377 4.340 0.003 0.000 0.201 133 L C 2.891 179.690 176.870 -0.119 0.000 1.075 133 L CA 0.799 55.583 54.840 -0.093 0.000 0.773 133 L CB -0.469 41.531 42.059 -0.098 0.000 0.936 133 L HN 0.327 nan 8.230 nan 0.000 0.451 134 A N 0.189 122.944 122.820 -0.109 0.000 2.186 134 A HA -0.101 4.221 4.320 0.003 0.000 0.219 134 A C 2.326 179.850 177.584 -0.101 0.000 1.159 134 A CA 1.567 53.527 52.037 -0.129 0.000 0.680 134 A CB -0.513 18.423 19.000 -0.106 0.000 0.787 134 A HN 0.414 nan 8.150 nan 0.000 0.467 135 A N -1.716 121.060 122.820 -0.073 0.000 2.072 135 A HA 0.046 4.368 4.320 0.003 0.000 0.216 135 A C 1.685 179.233 177.584 -0.060 0.000 1.156 135 A CA 1.165 53.170 52.037 -0.053 0.000 0.701 135 A CB -0.643 18.336 19.000 -0.034 0.000 0.816 135 A HN 0.573 nan 8.150 nan 0.000 0.458 136 C N -0.559 118.692 119.300 -0.081 0.000 2.559 136 C HA 0.493 4.955 4.460 0.003 0.000 0.300 136 C C 1.966 176.887 174.990 -0.114 0.000 1.288 136 C CA 0.034 59.003 59.018 -0.082 0.000 1.699 136 C CB -1.239 26.448 27.740 -0.089 0.000 1.819 136 C HN 0.957 nan 8.230 nan 0.000 0.600 137 G N -0.103 108.624 108.800 -0.122 0.000 2.225 137 G HA2 -0.277 3.685 3.960 0.003 0.000 0.254 137 G HA3 -0.277 3.685 3.960 0.003 0.000 0.254 137 G C 0.257 175.024 174.900 -0.223 0.000 0.988 137 G CA 0.185 45.203 45.100 -0.138 0.000 0.625 137 G HN 0.543 nan 8.290 nan 0.000 0.527 138 C N 1.041 120.175 119.300 -0.276 0.000 2.676 138 C HA 0.565 5.027 4.460 0.003 0.000 0.416 138 C C 0.798 175.595 174.990 -0.321 0.000 1.299 138 C CA -0.087 58.729 59.018 -0.337 0.000 2.048 138 C CB 0.863 28.402 27.740 -0.334 0.000 2.713 138 C HN 0.452 nan 8.230 nan 0.000 0.624 139 K N 1.620 121.798 120.400 -0.370 0.000 2.240 139 K HA 0.562 4.884 4.320 0.003 0.000 0.271 139 K C -0.929 175.449 176.600 -0.371 0.000 1.018 139 K CA -0.075 55.924 56.287 -0.480 0.000 0.874 139 K CB 1.076 33.164 32.500 -0.687 0.000 1.098 139 K HN 0.444 nan 8.250 nan 0.000 0.458 140 V N 6.302 126.028 119.914 -0.314 0.000 2.327 140 V HA 0.303 4.425 4.120 0.003 0.000 0.272 140 V C -2.211 173.780 176.094 -0.170 0.000 1.019 140 V CA -1.376 60.802 62.300 -0.205 0.000 0.814 140 V CB 1.414 33.167 31.823 -0.118 0.000 1.040 140 V HN 0.684 nan 8.190 nan 0.000 0.440 141 P HA 0.210 nan 4.420 nan 0.000 0.214 141 P C -0.109 177.224 177.300 0.054 0.000 1.849 141 P CA -0.294 62.766 63.100 -0.066 0.000 1.022 141 P CB 0.501 32.122 31.700 -0.131 0.000 1.912 142 M N 3.387 123.019 119.600 0.054 0.000 2.251 142 M HA 0.224 4.706 4.480 0.003 0.000 0.346 142 M C -0.657 175.715 176.300 0.120 0.000 1.499 142 M CA -0.020 55.335 55.300 0.092 0.000 1.128 142 M CB -0.023 32.625 32.600 0.080 0.000 1.809 142 M HN 0.086 nan 8.290 nan 0.000 0.464 143 I N 5.359 126.011 120.570 0.137 0.000 2.328 143 I HA 0.273 4.445 4.170 0.003 0.000 0.287 143 I C 0.133 176.350 176.117 0.166 0.000 1.012 143 I CA -0.320 61.054 61.300 0.124 0.000 1.195 143 I CB 1.139 39.200 38.000 0.103 0.000 1.350 143 I HN 0.758 nan 8.210 nan 0.000 0.464 144 S N 4.379 120.161 115.700 0.137 0.000 2.788 144 S HA 0.937 5.409 4.470 0.003 0.000 0.291 144 S C -0.033 174.594 174.600 0.046 0.000 1.061 144 S CA -0.542 57.767 58.200 0.181 0.000 0.923 144 S CB 1.783 65.020 63.200 0.062 0.000 1.339 144 S HN 0.598 nan 8.310 nan 0.000 0.591 145 G N -0.828 107.978 108.800 0.010 0.000 2.866 145 G HA2 0.640 4.602 3.960 0.003 0.000 0.289 145 G HA3 0.640 4.602 3.960 0.003 0.000 0.289 145 G C -0.988 173.889 174.900 -0.039 0.000 1.396 145 G CA -1.119 43.846 45.100 -0.225 0.000 0.848 145 G HN 0.676 nan 8.290 nan 0.000 0.515 146 R N -1.103 119.374 120.500 -0.039 0.000 2.527 146 R HA 0.518 4.860 4.340 0.003 0.000 0.236 146 R C 0.968 177.431 176.300 0.272 0.000 1.257 146 R CA -0.069 56.102 56.100 0.118 0.000 1.088 146 R CB 0.031 30.387 30.300 0.093 0.000 1.396 146 R HN 0.583 nan 8.270 nan 0.000 0.571 147 G N 0.247 109.166 108.800 0.198 0.000 2.544 147 G HA2 0.337 4.299 3.960 0.003 0.000 0.242 147 G HA3 0.337 4.299 3.960 0.003 0.000 0.242 147 G C -1.138 173.844 174.900 0.137 0.000 1.247 147 G CA -0.273 44.925 45.100 0.163 0.000 0.840 147 G HN 0.101 nan 8.290 nan 0.000 0.578 148 L N 1.791 123.021 121.223 0.011 0.000 2.415 148 L HA 0.595 4.937 4.340 0.003 0.000 0.268 148 L C 0.870 177.658 176.870 -0.138 0.000 0.984 148 L CA 1.056 55.821 54.840 -0.125 0.000 0.853 148 L CB 0.809 42.698 42.059 -0.282 0.000 1.215 148 L HN 1.314 nan 8.230 nan 0.000 0.419 149 G N 3.415 112.177 108.800 -0.063 0.000 2.561 149 G HA2 -0.369 3.593 3.960 0.003 0.000 0.289 149 G HA3 -0.369 3.593 3.960 0.003 0.000 0.289 149 G C 0.878 175.772 174.900 -0.010 0.000 1.169 149 G CA 0.582 45.645 45.100 -0.061 0.000 0.980 149 G HN 1.007 nan 8.290 nan 0.000 0.550 150 H N 1.474 120.520 119.070 -0.040 0.000 2.548 150 H HA 0.217 4.775 4.556 0.003 0.000 0.265 150 H C 1.404 176.773 175.328 0.068 0.000 0.969 150 H CA 1.679 57.739 56.048 0.019 0.000 1.155 150 H CB -0.791 28.933 29.762 -0.062 0.000 1.394 150 H HN 0.872 nan 8.280 nan 0.000 0.570 151 T N -0.757 113.557 114.554 -0.400 0.000 2.904 151 T HA 0.502 4.854 4.350 0.003 0.000 0.290 151 T C 0.779 175.455 174.700 -0.040 0.000 1.018 151 T CA -0.254 61.718 62.100 -0.215 0.000 1.075 151 T CB 1.960 70.661 68.868 -0.278 0.000 0.986 151 T HN 0.361 nan 8.240 nan 0.000 0.523 152 G N -0.080 108.711 108.800 -0.016 0.000 2.400 152 G HA2 0.576 4.538 3.960 0.003 0.000 0.301 152 G HA3 0.576 4.538 3.960 0.003 0.000 0.301 152 G C 0.085 175.019 174.900 0.057 0.000 1.154 152 G CA -0.788 44.334 45.100 0.037 0.000 0.852 152 G HN 1.044 nan 8.290 nan 0.000 0.511 153 G N -0.418 108.458 108.800 0.127 0.000 2.356 153 G HA2 0.407 4.369 3.960 0.003 0.000 0.322 153 G HA3 0.407 4.369 3.960 0.003 0.000 0.322 153 G C 0.990 175.935 174.900 0.075 0.000 1.125 153 G CA 0.493 45.656 45.100 0.105 0.000 0.885 153 G HN 0.788 nan 8.290 nan 0.000 0.467 154 T N 1.736 116.304 114.554 0.023 0.000 2.833 154 T HA -0.119 4.233 4.350 0.003 0.000 0.269 154 T C 2.216 176.901 174.700 -0.024 0.000 1.054 154 T CA 1.176 63.271 62.100 -0.008 0.000 1.135 154 T CB -0.321 68.526 68.868 -0.035 0.000 0.869 154 T HN 0.292 nan 8.240 nan 0.000 0.466 155 L N 0.504 121.723 121.223 -0.008 0.000 2.093 155 L HA -0.015 4.327 4.340 0.003 0.000 0.208 155 L C 2.645 179.491 176.870 -0.041 0.000 1.085 155 L CA 1.440 56.269 54.840 -0.019 0.000 0.755 155 L CB -0.499 41.562 42.059 0.003 0.000 0.904 155 L HN 0.260 nan 8.230 nan 0.000 0.435 156 D N 0.151 120.537 120.400 -0.024 0.000 2.224 156 D HA -0.113 4.529 4.640 0.003 0.000 0.205 156 D C 2.120 178.372 176.300 -0.079 0.000 0.965 156 D CA 0.910 54.847 54.000 -0.106 0.000 0.852 156 D CB 0.157 40.844 40.800 -0.188 0.000 0.947 156 D HN 0.336 nan 8.370 nan 0.000 0.494 157 K N 0.313 120.752 120.400 0.066 0.000 2.062 157 K HA 0.022 4.344 4.320 0.003 0.000 0.205 157 K C 2.262 178.821 176.600 -0.069 0.000 1.051 157 K CA 0.442 56.782 56.287 0.089 0.000 0.941 157 K CB -0.021 32.515 32.500 0.061 0.000 0.719 157 K HN 0.100 nan 8.250 nan 0.000 0.440 158 L N 1.341 122.438 121.223 -0.210 0.000 2.275 158 L HA -0.136 4.206 4.340 0.003 0.000 0.215 158 L C 1.882 178.543 176.870 -0.349 0.000 1.119 158 L CA 1.007 55.542 54.840 -0.509 0.000 0.790 158 L CB -0.211 41.184 42.059 -1.106 0.000 0.919 158 L HN 0.217 nan 8.230 nan 0.000 0.443 159 E N -0.683 119.426 120.200 -0.152 0.000 2.511 159 E HA -0.065 4.287 4.350 0.003 0.000 0.196 159 E C 2.047 178.633 176.600 -0.022 0.000 1.066 159 E CA 0.224 56.607 56.400 -0.027 0.000 0.871 159 E CB 0.202 29.892 29.700 -0.018 0.000 0.863 159 E HN 0.374 nan 8.360 nan 0.000 0.520 160 S N 0.740 116.416 115.700 -0.040 0.000 2.402 160 S HA -0.074 4.398 4.470 0.003 0.000 0.229 160 S C 0.851 175.456 174.600 0.009 0.000 1.021 160 S CA 0.497 58.692 58.200 -0.008 0.000 0.974 160 S CB 0.049 63.256 63.200 0.011 0.000 0.800 160 S HN 0.111 nan 8.310 nan 0.000 0.484 161 I N 2.827 123.402 120.570 0.008 0.000 2.452 161 I HA 0.275 4.447 4.170 0.003 0.000 0.287 161 I C -2.486 173.679 176.117 0.080 0.000 1.079 161 I CA -3.850 57.477 61.300 0.044 0.000 1.387 161 I CB -0.559 37.470 38.000 0.049 0.000 1.404 161 I HN -0.136 nan 8.210 nan 0.000 0.522 162 P HA 0.186 nan 4.420 nan 0.000 0.263 162 P C 0.914 178.248 177.300 0.058 0.000 1.195 162 P CA 0.715 63.843 63.100 0.048 0.000 0.762 162 P CB 0.571 32.288 31.700 0.029 0.000 0.799 163 G N 2.850 111.682 108.800 0.052 0.000 2.225 163 G HA2 -0.304 3.658 3.960 0.003 0.000 0.254 163 G HA3 -0.304 3.658 3.960 0.003 0.000 0.254 163 G C 0.137 175.054 174.900 0.029 0.000 0.988 163 G CA -0.485 44.631 45.100 0.026 0.000 0.625 163 G HN 0.529 nan 8.290 nan 0.000 0.527 164 F N 2.430 122.358 119.950 -0.036 0.000 2.571 164 F HA 0.514 5.043 4.527 0.003 0.000 0.384 164 F C 0.451 176.233 175.800 -0.030 0.000 1.058 164 F CA -0.415 57.560 58.000 -0.041 0.000 1.200 164 F CB 0.462 39.437 39.000 -0.042 0.000 1.077 164 F HN 0.164 nan 8.300 nan 0.000 0.558 165 N N 5.167 123.621 118.700 -0.409 0.000 2.444 165 N HA 0.212 4.954 4.740 0.003 0.000 0.262 165 N C 0.611 176.008 175.510 -0.188 0.000 0.974 165 N CA -0.453 52.489 53.050 -0.181 0.000 0.933 165 N CB 1.448 39.835 38.487 -0.167 0.000 1.137 165 N HN 0.433 nan 8.380 nan 0.000 0.498 166 V N 2.131 122.108 119.914 0.105 0.000 2.667 166 V HA 0.227 4.349 4.120 0.003 0.000 0.252 166 V C 0.887 177.016 176.094 0.059 0.000 1.065 166 V CA 0.936 63.347 62.300 0.185 0.000 1.083 166 V CB -0.593 31.341 31.823 0.185 0.000 0.692 166 V HN 0.549 nan 8.190 nan 0.000 0.468 167 I N 2.547 123.124 120.570 0.012 0.000 2.312 167 I HA 0.394 4.566 4.170 0.003 0.000 0.291 167 I C -0.269 175.834 176.117 -0.024 0.000 1.031 167 I CA 0.200 61.499 61.300 -0.002 0.000 1.293 167 I CB 0.853 38.850 38.000 -0.005 0.000 1.403 167 I HN 0.334 nan 8.210 nan 0.000 0.484 168 Q N 4.687 124.482 119.800 -0.009 0.000 2.397 168 Q HA 0.401 4.743 4.340 0.003 0.000 0.275 168 Q C -0.412 175.592 176.000 0.007 0.000 1.090 168 Q CA -0.695 55.102 55.803 -0.011 0.000 0.809 168 Q CB 2.341 31.076 28.738 -0.006 0.000 1.362 168 Q HN 0.741 nan 8.270 nan 0.000 0.431 169 S N 0.537 116.238 115.700 0.001 0.000 2.624 169 S HA 0.328 4.800 4.470 0.003 0.000 0.263 169 S C -1.845 172.759 174.600 0.007 0.000 1.287 169 S CA -0.812 57.387 58.200 -0.003 0.000 0.990 169 S CB 0.774 63.966 63.200 -0.013 0.000 0.950 169 S HN 0.282 nan 8.310 nan 0.000 0.561 170 P HA 0.018 nan 4.420 nan 0.000 0.221 170 P C 0.917 178.189 177.300 -0.046 0.000 1.150 170 P CA 0.923 63.990 63.100 -0.055 0.000 0.800 170 P CB 0.054 31.683 31.700 -0.119 0.000 0.787 171 E N -0.427 119.756 120.200 -0.028 0.000 2.046 171 E HA -0.156 4.196 4.350 0.003 0.000 0.190 171 E C 2.113 178.739 176.600 0.044 0.000 0.982 171 E CA 1.257 57.652 56.400 -0.008 0.000 0.800 171 E CB -0.886 28.804 29.700 -0.017 0.000 0.756 171 E HN 0.344 nan 8.360 nan 0.000 0.449 172 Q N -0.259 119.564 119.800 0.038 0.000 2.084 172 Q HA -0.090 4.252 4.340 0.003 0.000 0.202 172 Q C 2.222 178.285 176.000 0.105 0.000 0.978 172 Q CA 1.348 57.181 55.803 0.050 0.000 0.844 172 Q CB -0.196 28.550 28.738 0.015 0.000 0.898 172 Q HN 0.311 nan 8.270 nan 0.000 0.426 173 M N 0.228 119.912 119.600 0.141 0.000 2.149 173 M HA -0.270 4.212 4.480 0.003 0.000 0.261 173 M C 2.318 178.864 176.300 0.410 0.000 1.064 173 M CA 1.572 57.024 55.300 0.253 0.000 1.102 173 M CB -0.260 32.541 32.600 0.334 0.000 1.369 173 M HN 0.256 nan 8.290 nan 0.000 0.408 174 Q N 0.186 120.242 119.800 0.425 0.000 2.079 174 Q HA -0.137 4.205 4.340 0.003 0.000 0.200 174 Q C 1.883 178.150 176.000 0.445 0.000 0.974 174 Q CA 1.426 57.586 55.803 0.596 0.000 0.840 174 Q CB 0.127 29.061 28.738 0.327 0.000 0.898 174 Q HN 0.369 nan 8.270 nan 0.000 0.430 175 V N 0.696 120.760 119.914 0.250 0.000 2.358 175 V HA -0.245 3.877 4.120 0.003 0.000 0.246 175 V C 2.209 178.394 176.094 0.152 0.000 1.047 175 V CA 1.041 63.448 62.300 0.178 0.000 1.035 175 V CB -0.508 31.373 31.823 0.096 0.000 0.658 175 V HN 0.340 nan 8.190 nan 0.000 0.452 176 L N -0.555 120.746 121.223 0.129 0.000 2.012 176 L HA -0.157 4.185 4.340 0.003 0.000 0.210 176 L C 2.273 179.160 176.870 0.028 0.000 1.073 176 L CA 1.844 56.722 54.840 0.063 0.000 0.748 176 L CB -0.979 41.113 42.059 0.055 0.000 0.891 176 L HN 0.234 nan 8.230 nan 0.000 0.431 177 L N -1.130 120.115 121.223 0.037 0.000 2.141 177 L HA -0.209 4.133 4.340 0.003 0.000 0.209 177 L C 2.246 178.982 176.870 -0.223 0.000 1.094 177 L CA 1.146 55.855 54.840 -0.219 0.000 0.763 177 L CB -0.576 41.186 42.059 -0.496 0.000 0.908 177 L HN 0.351 nan 8.230 nan 0.000 0.437 178 D N -0.340 120.144 120.400 0.141 0.000 2.097 178 D HA -0.161 4.481 4.640 0.003 0.000 0.197 178 D C 2.202 178.554 176.300 0.088 0.000 0.984 178 D CA 1.202 55.354 54.000 0.253 0.000 0.826 178 D CB 0.235 41.255 40.800 0.367 0.000 0.973 178 D HN 0.389 nan 8.370 nan 0.000 0.460 179 Q N -0.272 119.563 119.800 0.059 0.000 1.984 179 Q HA 0.049 4.391 4.340 0.003 0.000 0.196 179 Q C 1.861 177.853 176.000 -0.013 0.000 0.975 179 Q CA 1.212 57.029 55.803 0.024 0.000 0.827 179 Q CB 0.020 28.771 28.738 0.023 0.000 0.894 179 Q HN 0.155 nan 8.270 nan 0.000 0.438 180 A N -0.475 122.328 122.820 -0.030 0.000 2.252 180 A HA 0.335 4.657 4.320 0.003 0.000 0.213 180 A C 1.422 178.958 177.584 -0.081 0.000 1.188 180 A CA 0.737 52.749 52.037 -0.041 0.000 0.863 180 A CB 0.102 19.087 19.000 -0.025 0.000 0.893 180 A HN 0.506 nan 8.150 nan 0.000 0.495 181 G N -1.505 107.214 108.800 -0.135 0.000 2.187 181 G HA2 -0.287 3.675 3.960 0.003 0.000 0.261 181 G HA3 -0.287 3.675 3.960 0.003 0.000 0.261 181 G C 0.157 174.931 174.900 -0.209 0.000 1.000 181 G CA 0.561 45.509 45.100 -0.253 0.000 0.718 181 G HN 0.713 nan 8.290 nan 0.000 0.519 182 C N -0.806 118.425 119.300 -0.115 0.000 2.779 182 C HA 0.924 5.386 4.460 0.003 0.000 0.314 182 C C 0.279 175.261 174.990 -0.014 0.000 1.231 182 C CA 0.071 59.058 59.018 -0.052 0.000 1.652 182 C CB 1.609 29.356 27.740 0.012 0.000 2.198 182 C HN 1.644 nan 8.230 nan 0.000 0.483 183 C N 2.663 121.981 119.300 0.029 0.000 3.232 183 C HA 0.494 4.956 4.460 0.003 0.000 0.452 183 C C -1.694 173.363 174.990 0.111 0.000 0.920 183 C CA -0.741 58.319 59.018 0.070 0.000 1.154 183 C CB -1.180 26.593 27.740 0.055 0.000 1.597 183 C HN 0.821 nan 8.230 nan 0.000 0.649 184 I N 5.505 126.186 120.570 0.186 0.000 2.466 184 I HA 0.587 4.759 4.170 0.003 0.000 0.279 184 I C 0.456 176.710 176.117 0.227 0.000 1.033 184 I CA -0.378 61.037 61.300 0.192 0.000 1.123 184 I CB 1.426 39.540 38.000 0.190 0.000 1.237 184 I HN 0.841 nan 8.210 nan 0.000 0.460 185 V N 2.515 122.522 119.914 0.154 0.000 3.234 185 V HA 1.019 5.141 4.120 0.003 0.000 0.317 185 V C 0.208 176.357 176.094 0.092 0.000 1.147 185 V CA -0.450 61.926 62.300 0.128 0.000 1.037 185 V CB 1.603 33.482 31.823 0.094 0.000 1.148 185 V HN 0.588 nan 8.190 nan 0.000 0.455 186 G N -0.400 108.434 108.800 0.058 0.000 2.685 186 G HA2 0.600 4.562 3.960 0.003 0.000 0.298 186 G HA3 0.600 4.562 3.960 0.003 0.000 0.298 186 G C -1.130 173.765 174.900 -0.009 0.000 1.277 186 G CA -0.981 44.122 45.100 0.006 0.000 0.986 186 G HN 0.845 nan 8.290 nan 0.000 0.487 187 Q N -0.463 119.305 119.800 -0.053 0.000 2.395 187 Q HA 0.453 4.795 4.340 0.003 0.000 0.271 187 Q C 0.567 176.553 176.000 -0.024 0.000 1.026 187 Q CA 0.448 56.227 55.803 -0.040 0.000 0.900 187 Q CB 1.135 29.831 28.738 -0.071 0.000 1.266 187 Q HN 0.733 nan 8.270 nan 0.000 0.430 188 S N -0.162 115.531 115.700 -0.011 0.000 2.800 188 S HA 0.326 4.798 4.470 0.003 0.000 0.293 188 S C 0.066 174.661 174.600 -0.008 0.000 1.209 188 S CA -0.862 57.333 58.200 -0.009 0.000 0.884 188 S CB 0.528 63.725 63.200 -0.005 0.000 1.244 188 S HN 0.436 nan 8.310 nan 0.000 0.540 189 E N 0.517 120.711 120.200 -0.010 0.000 2.153 189 E HA 0.010 4.362 4.350 0.003 0.000 0.194 189 E C 1.795 178.388 176.600 -0.012 0.000 0.988 189 E CA 1.514 57.907 56.400 -0.011 0.000 0.811 189 E CB -0.248 29.444 29.700 -0.013 0.000 0.746 189 E HN 0.579 nan 8.360 nan 0.000 0.466 190 Q N -0.844 118.949 119.800 -0.011 0.000 2.373 190 Q HA 0.243 4.585 4.340 0.003 0.000 0.210 190 Q C -0.174 175.821 176.000 -0.009 0.000 0.913 190 Q CA 0.344 56.138 55.803 -0.014 0.000 0.911 190 Q CB 0.648 29.374 28.738 -0.020 0.000 1.040 190 Q HN 0.150 nan 8.270 nan 0.000 0.521 191 L N 1.282 122.505 121.223 0.000 0.000 2.295 191 L HA 0.361 4.703 4.340 0.003 0.000 0.281 191 L C -0.400 176.477 176.870 0.011 0.000 1.018 191 L CA -1.216 53.631 54.840 0.011 0.000 0.841 191 L CB 1.544 43.618 42.059 0.026 0.000 1.218 191 L HN -0.062 nan 8.230 nan 0.000 0.424 192 V N 1.691 121.613 119.914 0.014 0.000 5.849 192 V HA -0.188 3.934 4.120 0.003 0.000 0.215 192 V C -2.208 173.892 176.094 0.010 0.000 0.710 192 V CA -0.123 62.187 62.300 0.017 0.000 0.745 192 V CB -1.025 30.812 31.823 0.025 0.000 0.802 192 V HN 0.664 nan 8.190 nan 0.000 0.412 193 P HA 0.123 nan 4.420 nan 0.000 0.219 193 P C 1.916 179.221 177.300 0.008 0.000 1.154 193 P CA 2.075 65.176 63.100 0.001 0.000 0.826 193 P CB 0.158 31.853 31.700 -0.007 0.000 0.795 194 A N 0.248 123.075 122.820 0.011 0.000 1.883 194 A HA -0.285 4.037 4.320 0.003 0.000 0.217 194 A C 2.172 179.790 177.584 0.057 0.000 1.186 194 A CA 2.488 54.536 52.037 0.019 0.000 0.624 194 A CB -1.770 17.245 19.000 0.025 0.000 0.822 194 A HN 0.202 nan 8.150 nan 0.000 0.444 195 D N -1.286 119.155 120.400 0.068 0.000 2.144 195 D HA 0.004 4.646 4.640 0.003 0.000 0.200 195 D C 1.961 178.331 176.300 0.117 0.000 0.978 195 D CA 1.434 55.499 54.000 0.109 0.000 0.833 195 D CB -0.355 40.505 40.800 0.101 0.000 0.961 195 D HN 0.319 nan 8.370 nan 0.000 0.470 196 G N 0.903 109.732 108.800 0.048 0.000 2.446 196 G HA2 -0.237 3.725 3.960 0.003 0.000 0.217 196 G HA3 -0.237 3.725 3.960 0.003 0.000 0.217 196 G C 1.543 176.487 174.900 0.072 0.000 1.168 196 G CA 0.819 45.929 45.100 0.017 0.000 0.771 196 G HN 0.269 nan 8.290 nan 0.000 0.551 197 I N 0.841 121.448 120.570 0.062 0.000 2.179 197 I HA -0.064 4.108 4.170 0.003 0.000 0.242 197 I C 2.866 179.044 176.117 0.103 0.000 1.088 197 I CA 0.879 62.217 61.300 0.063 0.000 1.357 197 I CB -1.113 36.900 38.000 0.023 0.000 1.051 197 I HN 0.174 nan 8.210 nan 0.000 0.409 198 L N -0.867 120.432 121.223 0.128 0.000 2.056 198 L HA -0.243 4.099 4.340 0.003 0.000 0.207 198 L C 2.728 179.700 176.870 0.170 0.000 1.078 198 L CA 1.237 56.168 54.840 0.151 0.000 0.749 198 L CB -0.927 41.235 42.059 0.170 0.000 0.901 198 L HN 0.136 nan 8.230 nan 0.000 0.433 199 Y N 1.148 121.479 120.300 0.052 0.000 2.128 199 Y HA -0.326 4.226 4.550 0.003 0.000 0.284 199 Y C 2.546 178.470 175.900 0.040 0.000 1.154 199 Y CA 1.515 59.643 58.100 0.046 0.000 1.149 199 Y CB -0.302 38.186 38.460 0.047 0.000 0.976 199 Y HN 0.107 nan 8.280 nan 0.000 0.505 200 A N -0.149 122.867 122.820 0.325 0.000 1.969 200 A HA -0.032 4.290 4.320 0.003 0.000 0.218 200 A C 2.343 179.998 177.584 0.119 0.000 1.169 200 A CA 1.646 53.810 52.037 0.212 0.000 0.635 200 A CB -1.281 17.806 19.000 0.145 0.000 0.810 200 A HN 0.573 nan 8.150 nan 0.000 0.445 201 A N -0.347 122.535 122.820 0.102 0.000 1.898 201 A HA -0.021 4.301 4.320 0.003 0.000 0.214 201 A C 2.201 179.813 177.584 0.047 0.000 1.183 201 A CA 1.150 53.231 52.037 0.072 0.000 0.622 201 A CB -0.364 18.684 19.000 0.081 0.000 0.824 201 A HN 0.498 nan 8.150 nan 0.000 0.444 202 R N -0.291 120.226 120.500 0.028 0.000 2.081 202 R HA -0.174 4.168 4.340 0.003 0.000 0.235 202 R C 1.996 178.268 176.300 -0.047 0.000 1.131 202 R CA 1.572 57.658 56.100 -0.022 0.000 0.960 202 R CB -0.434 29.823 30.300 -0.072 0.000 0.856 202 R HN 0.645 nan 8.270 nan 0.000 0.436 203 D N 0.294 120.660 120.400 -0.057 0.000 2.133 203 D HA -0.157 4.485 4.640 0.003 0.000 0.192 203 D C 1.347 177.651 176.300 0.008 0.000 1.001 203 D CA 1.764 55.739 54.000 -0.041 0.000 0.844 203 D CB 0.141 40.953 40.800 0.020 0.000 0.944 203 D HN 0.191 nan 8.370 nan 0.000 0.447 204 V N -1.954 117.977 119.914 0.029 0.000 3.214 204 V HA 0.399 4.521 4.120 0.003 0.000 0.330 204 V C 0.892 177.003 176.094 0.029 0.000 1.403 204 V CA 0.688 63.012 62.300 0.040 0.000 1.143 204 V CB -0.198 31.659 31.823 0.057 0.000 1.098 204 V HN 0.307 nan 8.190 nan 0.000 0.463 205 T N -3.319 111.246 114.554 0.018 0.000 3.145 205 T HA 0.623 4.975 4.350 0.003 0.000 0.281 205 T C 1.037 175.741 174.700 0.007 0.000 1.003 205 T CA 0.544 62.655 62.100 0.018 0.000 0.901 205 T CB 0.459 69.343 68.868 0.025 0.000 1.112 205 T HN 1.840 nan 8.240 nan 0.000 0.535 206 A N 1.142 123.960 122.820 -0.003 0.000 2.869 206 A HA -0.140 4.182 4.320 0.003 0.000 0.280 206 A C 1.066 178.642 177.584 -0.013 0.000 1.458 206 A CA 1.133 53.164 52.037 -0.010 0.000 0.776 206 A CB -2.699 16.300 19.000 -0.002 0.000 1.028 206 A HN 1.355 nan 8.150 nan 0.000 0.547 207 T N -3.861 110.680 114.554 -0.022 0.000 3.296 207 T HA 0.487 4.838 4.350 0.003 0.000 0.285 207 T C 1.093 175.761 174.700 -0.052 0.000 1.014 207 T CA 0.440 62.527 62.100 -0.022 0.000 0.920 207 T CB 0.300 69.165 68.868 -0.005 0.000 1.143 207 T HN 0.536 nan 8.240 nan 0.000 0.522 208 V N 2.217 122.077 119.914 -0.089 0.000 2.302 208 V HA -0.019 4.103 4.120 0.003 0.000 0.243 208 V C 1.596 177.584 176.094 -0.177 0.000 1.036 208 V CA 1.578 63.787 62.300 -0.152 0.000 1.020 208 V CB -0.428 31.282 31.823 -0.188 0.000 0.657 208 V HN 0.748 nan 8.190 nan 0.000 0.453 209 D N 0.884 121.170 120.400 -0.190 0.000 2.671 209 D HA 0.052 4.694 4.640 0.003 0.000 0.228 209 D C 0.028 176.335 176.300 0.012 0.000 1.102 209 D CA 0.380 54.193 54.000 -0.312 0.000 1.044 209 D CB 0.514 41.129 40.800 -0.307 0.000 1.113 209 D HN 0.271 nan 8.370 nan 0.000 0.480 210 S N 1.707 117.451 115.700 0.074 0.000 2.756 210 S HA 0.217 4.689 4.470 0.003 0.000 0.303 210 S C 0.784 175.531 174.600 0.246 0.000 1.135 210 S CA -0.840 57.471 58.200 0.185 0.000 1.066 210 S CB 0.933 64.177 63.200 0.073 0.000 1.008 210 S HN 0.232 nan 8.310 nan 0.000 0.482 211 L N 7.078 128.507 121.223 0.342 0.000 1.991 211 L HA -0.005 4.337 4.340 0.003 0.000 0.221 211 L C -0.606 176.346 176.870 0.136 0.000 1.079 211 L CA 2.569 57.554 54.840 0.241 0.000 0.778 211 L CB -0.725 41.376 42.059 0.070 0.000 0.893 211 L HN 0.578 nan 8.230 nan 0.000 0.437 212 P HA -0.181 nan 4.420 nan 0.000 0.218 212 P C 2.034 179.368 177.300 0.056 0.000 1.149 212 P CA 1.670 64.803 63.100 0.055 0.000 0.817 212 P CB -0.033 31.686 31.700 0.031 0.000 0.785 213 L N -1.145 120.113 121.223 0.057 0.000 2.131 213 L HA -0.052 4.290 4.340 0.003 0.000 0.206 213 L C 2.798 179.696 176.870 0.048 0.000 1.087 213 L CA 0.959 55.827 54.840 0.046 0.000 0.767 213 L CB -0.627 41.449 42.059 0.028 0.000 0.917 213 L HN -0.148 nan 8.230 nan 0.000 0.441 214 I N -0.607 119.997 120.570 0.056 0.000 2.202 214 I HA -0.242 3.930 4.170 0.003 0.000 0.242 214 I C 2.502 178.660 176.117 0.067 0.000 1.091 214 I CA 1.348 62.679 61.300 0.052 0.000 1.368 214 I CB -0.516 37.525 38.000 0.069 0.000 1.058 214 I HN 0.207 nan 8.210 nan 0.000 0.410 215 T N 0.922 115.522 114.554 0.077 0.000 2.652 215 T HA -0.205 4.147 4.350 0.003 0.000 0.267 215 T C 2.077 176.805 174.700 0.047 0.000 1.039 215 T CA 1.679 63.817 62.100 0.064 0.000 1.153 215 T CB -0.394 68.511 68.868 0.062 0.000 0.863 215 T HN 0.477 nan 8.240 nan 0.000 0.428 216 A N 0.912 123.762 122.820 0.051 0.000 1.877 216 A HA -0.081 4.241 4.320 0.003 0.000 0.216 216 A C 2.584 180.199 177.584 0.052 0.000 1.186 216 A CA 2.123 54.191 52.037 0.050 0.000 0.620 216 A CB -1.137 17.897 19.000 0.058 0.000 0.822 216 A HN 0.446 nan 8.150 nan 0.000 0.443 217 S N -0.439 115.300 115.700 0.065 0.000 2.359 217 S HA -0.140 4.332 4.470 0.003 0.000 0.224 217 S C 1.922 176.546 174.600 0.041 0.000 1.035 217 S CA 1.594 59.848 58.200 0.089 0.000 1.018 217 S CB -0.504 62.774 63.200 0.131 0.000 0.876 217 S HN 0.474 nan 8.310 nan 0.000 0.448 218 I N 1.125 121.692 120.570 -0.004 0.000 2.133 218 I HA -0.148 4.024 4.170 0.003 0.000 0.238 218 I C 2.269 178.307 176.117 -0.132 0.000 1.074 218 I CA 1.113 62.324 61.300 -0.148 0.000 1.342 218 I CB -0.417 37.521 38.000 -0.103 0.000 1.053 218 I HN 0.295 nan 8.210 nan 0.000 0.404 219 L N 0.600 121.798 121.223 -0.041 0.000 2.079 219 L HA -0.211 4.131 4.340 0.003 0.000 0.210 219 L C 2.856 179.726 176.870 -0.000 0.000 1.081 219 L CA 1.699 56.532 54.840 -0.012 0.000 0.752 219 L CB -0.886 41.182 42.059 0.016 0.000 0.896 219 L HN 0.392 nan 8.230 nan 0.000 0.433 220 S N -0.025 115.681 115.700 0.010 0.000 2.370 220 S HA -0.236 4.236 4.470 0.003 0.000 0.226 220 S C 1.906 176.519 174.600 0.021 0.000 1.033 220 S CA 1.149 59.364 58.200 0.024 0.000 1.011 220 S CB -0.334 62.888 63.200 0.037 0.000 0.852 220 S HN 0.410 nan 8.310 nan 0.000 0.457 221 K N 1.063 121.462 120.400 -0.001 0.000 2.026 221 K HA 0.002 4.324 4.320 0.003 0.000 0.208 221 K C 2.295 178.911 176.600 0.028 0.000 1.048 221 K CA 1.242 57.532 56.287 0.006 0.000 0.929 221 K CB -0.133 32.347 32.500 -0.033 0.000 0.713 221 K HN 0.218 nan 8.250 nan 0.000 0.439 222 K N 1.122 121.523 120.400 0.001 0.000 2.148 222 K HA -0.046 4.276 4.320 0.003 0.000 0.204 222 K C 2.143 178.782 176.600 0.065 0.000 1.050 222 K CA 0.971 57.281 56.287 0.038 0.000 0.942 222 K CB -0.372 32.139 32.500 0.018 0.000 0.724 222 K HN 0.164 nan 8.250 nan 0.000 0.446 223 L N 0.481 121.735 121.223 0.052 0.000 2.083 223 L HA -0.129 4.213 4.340 0.003 0.000 0.209 223 L C 2.256 179.175 176.870 0.081 0.000 1.083 223 L CA 0.645 55.522 54.840 0.062 0.000 0.752 223 L CB -0.430 41.657 42.059 0.046 0.000 0.899 223 L HN -0.136 nan 8.230 nan 0.000 0.433 224 V N -0.202 119.759 119.914 0.079 0.000 2.913 224 V HA -0.223 3.899 4.120 0.003 0.000 0.260 224 V C 2.110 178.296 176.094 0.153 0.000 1.098 224 V CA 1.452 63.804 62.300 0.086 0.000 1.121 224 V CB -0.420 31.442 31.823 0.066 0.000 0.714 224 V HN 0.470 nan 8.190 nan 0.000 0.487 225 E N 0.074 120.392 120.200 0.196 0.000 2.358 225 E HA 0.115 4.467 4.350 0.003 0.000 0.195 225 E C 1.554 178.426 176.600 0.453 0.000 1.010 225 E CA 0.496 57.096 56.400 0.333 0.000 0.856 225 E CB -0.036 29.795 29.700 0.218 0.000 0.795 225 E HN 0.614 nan 8.360 nan 0.000 0.504 226 G N 1.923 110.899 108.800 0.293 0.000 2.295 226 G HA2 -0.287 3.675 3.960 0.003 0.000 0.287 226 G HA3 -0.287 3.675 3.960 0.003 0.000 0.287 226 G C 0.033 175.062 174.900 0.215 0.000 1.055 226 G CA 0.007 45.279 45.100 0.287 0.000 0.922 226 G HN 0.112 nan 8.290 nan 0.000 0.503 227 L N -0.243 121.060 121.223 0.133 0.000 2.453 227 L HA 0.486 4.828 4.340 0.003 0.000 0.261 227 L C 1.745 178.651 176.870 0.061 0.000 1.179 227 L CA 0.277 55.158 54.840 0.069 0.000 0.813 227 L CB 1.361 43.451 42.059 0.052 0.000 1.110 227 L HN 0.278 nan 8.230 nan 0.000 0.466 228 S N 0.597 116.322 115.700 0.042 0.000 2.441 228 S HA 0.286 4.758 4.470 0.003 0.000 0.224 228 S C 0.369 174.983 174.600 0.022 0.000 1.043 228 S CA 0.469 58.691 58.200 0.037 0.000 0.948 228 S CB 0.299 63.526 63.200 0.045 0.000 0.810 228 S HN 0.739 nan 8.310 nan 0.000 0.504 229 A N 1.036 123.871 122.820 0.025 0.000 2.566 229 A HA 0.763 5.085 4.320 0.003 0.000 0.292 229 A C -1.579 176.027 177.584 0.036 0.000 1.112 229 A CA -0.630 51.420 52.037 0.022 0.000 0.707 229 A CB 1.588 20.597 19.000 0.015 0.000 1.302 229 A HN 0.499 nan 8.150 nan 0.000 0.409 230 L N 1.138 122.391 121.223 0.050 0.000 2.549 230 L HA 0.690 5.032 4.340 0.003 0.000 0.259 230 L C -2.027 174.896 176.870 0.088 0.000 0.934 230 L CA -0.356 54.523 54.840 0.067 0.000 0.865 230 L CB 1.623 43.721 42.059 0.065 0.000 1.352 230 L HN 0.562 nan 8.230 nan 0.000 0.410 231 V N 4.961 124.936 119.914 0.102 0.000 2.483 231 V HA 0.479 4.601 4.120 0.003 0.000 0.297 231 V C -0.234 175.941 176.094 0.135 0.000 1.027 231 V CA -0.582 61.792 62.300 0.123 0.000 0.855 231 V CB 2.158 34.057 31.823 0.128 0.000 0.995 231 V HN 0.524 nan 8.190 nan 0.000 0.424 232 V N 3.742 123.740 119.914 0.141 0.000 2.370 232 V HA 0.347 4.469 4.120 0.003 0.000 0.279 232 V C -0.131 176.051 176.094 0.147 0.000 1.029 232 V CA -0.495 61.900 62.300 0.159 0.000 0.870 232 V CB 1.818 33.731 31.823 0.150 0.000 0.984 232 V HN 0.890 nan 8.190 nan 0.000 0.451 233 D N 4.716 125.199 120.400 0.137 0.000 2.393 233 D HA 0.195 4.837 4.640 0.003 0.000 0.232 233 D C -0.367 176.003 176.300 0.117 0.000 1.192 233 D CA -0.041 54.031 54.000 0.121 0.000 0.882 233 D CB 1.203 42.057 40.800 0.090 0.000 1.038 233 D HN 0.246 nan 8.370 nan 0.000 0.499 234 V N 5.991 125.984 119.914 0.132 0.000 2.353 234 V HA 0.138 4.260 4.120 0.003 0.000 0.264 234 V C 0.750 176.943 176.094 0.164 0.000 1.049 234 V CA -0.719 61.669 62.300 0.147 0.000 0.896 234 V CB 0.675 32.592 31.823 0.155 0.000 1.025 234 V HN 0.333 nan 8.190 nan 0.000 0.475 235 K N 4.914 125.388 120.400 0.123 0.000 2.219 235 K HA 0.515 4.837 4.320 0.003 0.000 0.258 235 K C -0.438 176.280 176.600 0.198 0.000 1.008 235 K CA -0.018 56.315 56.287 0.077 0.000 0.928 235 K CB 0.940 33.445 32.500 0.008 0.000 0.983 235 K HN 0.613 nan 8.250 nan 0.000 0.484 236 F N -3.208 116.771 119.950 0.048 0.000 2.654 236 F HA 0.640 5.169 4.527 0.003 0.000 0.308 236 F C -0.104 175.723 175.800 0.044 0.000 1.108 236 F CA -0.365 57.669 58.000 0.057 0.000 0.957 236 F CB 1.434 40.454 39.000 0.034 0.000 1.309 236 F HN 0.761 nan 8.300 nan 0.000 0.446 237 G N 0.903 109.827 108.800 0.206 0.000 2.422 237 G HA2 0.372 4.334 3.960 0.003 0.000 0.607 237 G HA3 0.372 4.334 3.960 0.003 0.000 0.607 237 G C 0.495 175.421 174.900 0.043 0.000 1.270 237 G CA -0.152 44.986 45.100 0.064 0.000 0.992 237 G HN 1.762 nan 8.290 nan 0.000 0.499 238 G N 0.069 108.876 108.800 0.011 0.000 2.649 238 G HA2 0.148 4.110 3.960 0.003 0.000 0.220 238 G HA3 0.148 4.110 3.960 0.003 0.000 0.220 238 G C 1.703 176.597 174.900 -0.010 0.000 1.189 238 G CA 3.209 48.309 45.100 -0.000 0.000 0.777 238 G HN 2.154 nan 8.290 nan 0.000 0.602 239 A N -0.279 122.546 122.820 0.009 0.000 2.500 239 A HA 0.795 5.117 4.320 0.003 0.000 0.267 239 A C 1.074 178.799 177.584 0.234 0.000 1.290 239 A CA 0.876 52.960 52.037 0.079 0.000 0.928 239 A CB -0.096 18.955 19.000 0.085 0.000 1.066 239 A HN 0.889 nan 8.150 nan 0.000 0.516 240 A N -0.785 122.105 122.820 0.115 0.000 2.304 240 A HA 0.502 4.824 4.320 0.003 0.000 0.271 240 A C 1.431 179.062 177.584 0.078 0.000 1.091 240 A CA -0.057 52.032 52.037 0.087 0.000 0.812 240 A CB 0.295 19.348 19.000 0.088 0.000 1.056 240 A HN 0.409 nan 8.150 nan 0.000 0.489 241 V N -0.117 119.765 119.914 -0.054 0.000 2.332 241 V HA -0.165 3.957 4.120 0.003 0.000 0.248 241 V C 0.312 176.220 176.094 -0.311 0.000 1.055 241 V CA 1.633 63.778 62.300 -0.259 0.000 1.038 241 V CB -0.783 30.761 31.823 -0.465 0.000 0.651 241 V HN 0.619 nan 8.190 nan 0.000 0.450 242 F N -0.155 119.840 119.950 0.074 0.000 2.363 242 F HA 0.409 4.938 4.527 0.003 0.000 0.366 242 F C -1.448 174.408 175.800 0.094 0.000 1.083 242 F CA -3.197 54.845 58.000 0.071 0.000 1.176 242 F CB 0.583 39.620 39.000 0.061 0.000 1.432 242 F HN 0.043 nan 8.300 nan 0.000 0.482 243 P HA -0.234 nan 4.420 nan 0.000 0.215 243 P C 0.489 177.911 177.300 0.204 0.000 1.163 243 P CA 1.242 64.451 63.100 0.181 0.000 0.894 243 P CB 0.105 31.876 31.700 0.119 0.000 0.791 244 N N 0.474 119.274 118.700 0.166 0.000 2.374 244 N HA -0.117 4.625 4.740 0.003 0.000 0.269 244 N C 1.343 176.906 175.510 0.088 0.000 1.310 244 N CA 0.400 53.511 53.050 0.101 0.000 0.877 244 N CB 0.402 38.923 38.487 0.056 0.000 1.096 244 N HN 0.271 nan 8.380 nan 0.000 0.484 245 Q N 2.494 122.319 119.800 0.041 0.000 2.135 245 Q HA -0.248 4.094 4.340 0.003 0.000 0.204 245 Q C 1.090 177.019 176.000 -0.119 0.000 0.981 245 Q CA 1.485 57.231 55.803 -0.096 0.000 0.856 245 Q CB -0.164 28.412 28.738 -0.270 0.000 0.902 245 Q HN 0.572 nan 8.270 nan 0.000 0.425 246 E N 1.130 121.273 120.200 -0.094 0.000 2.153 246 E HA -0.175 4.177 4.350 0.003 0.000 0.194 246 E C 1.974 178.503 176.600 -0.119 0.000 0.988 246 E CA 1.628 57.966 56.400 -0.103 0.000 0.811 246 E CB -0.025 29.624 29.700 -0.086 0.000 0.746 246 E HN 0.555 nan 8.360 nan 0.000 0.466 247 Q N -0.889 118.832 119.800 -0.132 0.000 2.187 247 Q HA 0.029 4.371 4.340 0.003 0.000 0.199 247 Q C 2.095 177.969 176.000 -0.211 0.000 0.957 247 Q CA 0.939 56.576 55.803 -0.278 0.000 0.857 247 Q CB -0.064 28.420 28.738 -0.424 0.000 0.929 247 Q HN 0.370 nan 8.270 nan 0.000 0.453 248 A N 1.321 124.135 122.820 -0.010 0.000 1.883 248 A HA -0.216 4.106 4.320 0.003 0.000 0.217 248 A C 2.003 179.602 177.584 0.025 0.000 1.186 248 A CA 1.236 53.343 52.037 0.116 0.000 0.624 248 A CB -0.406 18.701 19.000 0.179 0.000 0.822 248 A HN 0.195 nan 8.150 nan 0.000 0.444 249 R N -0.756 119.712 120.500 -0.052 0.000 2.080 249 R HA -0.133 4.209 4.340 0.003 0.000 0.236 249 R C 2.113 178.382 176.300 -0.052 0.000 1.137 249 R CA 1.456 57.518 56.100 -0.062 0.000 0.943 249 R CB -0.374 29.869 30.300 -0.094 0.000 0.846 249 R HN 0.481 nan 8.270 nan 0.000 0.431 250 E N 0.953 121.099 120.200 -0.090 0.000 2.130 250 E HA -0.207 4.145 4.350 0.003 0.000 0.196 250 E C 1.971 178.536 176.600 -0.058 0.000 0.998 250 E CA 0.834 57.179 56.400 -0.092 0.000 0.806 250 E CB -0.271 29.338 29.700 -0.150 0.000 0.738 250 E HN 0.326 nan 8.360 nan 0.000 0.459 251 L N 0.013 121.209 121.223 -0.044 0.000 2.027 251 L HA -0.146 4.196 4.340 0.003 0.000 0.206 251 L C 2.286 179.195 176.870 0.065 0.000 1.074 251 L CA 1.347 56.218 54.840 0.050 0.000 0.745 251 L CB -0.378 41.791 42.059 0.184 0.000 0.898 251 L HN 0.073 nan 8.230 nan 0.000 0.433 252 A N 0.302 123.158 122.820 0.060 0.000 1.873 252 A HA -0.283 4.039 4.320 0.003 0.000 0.218 252 A C 2.231 179.841 177.584 0.044 0.000 1.193 252 A CA 2.169 54.242 52.037 0.060 0.000 0.629 252 A CB -0.507 18.519 19.000 0.043 0.000 0.826 252 A HN 0.439 nan 8.150 nan 0.000 0.447 253 K N -1.108 119.305 120.400 0.021 0.000 2.097 253 K HA -0.090 4.232 4.320 0.003 0.000 0.206 253 K C 2.099 178.712 176.600 0.022 0.000 1.049 253 K CA 1.685 57.981 56.287 0.017 0.000 0.933 253 K CB -0.375 32.124 32.500 -0.002 0.000 0.717 253 K HN 0.522 nan 8.250 nan 0.000 0.442 254 T N 1.967 116.534 114.554 0.021 0.000 2.770 254 T HA -0.056 4.296 4.350 0.003 0.000 0.263 254 T C 1.920 176.643 174.700 0.038 0.000 1.039 254 T CA 0.820 62.934 62.100 0.025 0.000 1.142 254 T CB -0.177 68.705 68.868 0.023 0.000 0.868 254 T HN 0.080 nan 8.240 nan 0.000 0.435 255 L N 0.712 121.966 121.223 0.052 0.000 2.013 255 L HA -0.126 4.216 4.340 0.003 0.000 0.212 255 L C 2.639 179.541 176.870 0.052 0.000 1.073 255 L CA 1.102 55.977 54.840 0.058 0.000 0.753 255 L CB -0.555 41.549 42.059 0.075 0.000 0.890 255 L HN 0.146 nan 8.230 nan 0.000 0.432 256 V N -0.433 119.513 119.914 0.053 0.000 2.379 256 V HA -0.154 3.968 4.120 0.003 0.000 0.245 256 V C 2.503 178.622 176.094 0.042 0.000 1.044 256 V CA 1.846 64.178 62.300 0.052 0.000 1.036 256 V CB -0.915 30.942 31.823 0.057 0.000 0.664 256 V HN 0.566 nan 8.190 nan 0.000 0.453 257 G N -0.171 108.650 108.800 0.035 0.000 2.433 257 G HA2 -0.195 3.767 3.960 0.003 0.000 0.216 257 G HA3 -0.195 3.767 3.960 0.003 0.000 0.216 257 G C 1.678 176.594 174.900 0.027 0.000 1.186 257 G CA 1.241 46.357 45.100 0.028 0.000 0.779 257 G HN 0.356 nan 8.290 nan 0.000 0.543 258 V N 1.660 121.591 119.914 0.028 0.000 2.407 258 V HA -0.062 4.060 4.120 0.003 0.000 0.248 258 V C 3.135 179.247 176.094 0.030 0.000 1.055 258 V CA 1.945 64.262 62.300 0.028 0.000 1.049 258 V CB -1.057 30.783 31.823 0.029 0.000 0.662 258 V HN 0.448 nan 8.190 nan 0.000 0.455 259 G N -0.335 108.485 108.800 0.034 0.000 2.418 259 G HA2 -0.209 3.753 3.960 0.003 0.000 0.217 259 G HA3 -0.209 3.753 3.960 0.003 0.000 0.217 259 G C 1.773 176.693 174.900 0.033 0.000 1.158 259 G CA 1.095 46.216 45.100 0.035 0.000 0.771 259 G HN 0.603 nan 8.290 nan 0.000 0.545 260 A N 1.399 124.239 122.820 0.032 0.000 1.877 260 A HA -0.042 4.280 4.320 0.003 0.000 0.216 260 A C 2.750 180.349 177.584 0.025 0.000 1.186 260 A CA 2.679 54.733 52.037 0.028 0.000 0.620 260 A CB -0.921 18.096 19.000 0.028 0.000 0.822 260 A HN 0.824 nan 8.150 nan 0.000 0.443 261 S N -0.355 115.359 115.700 0.024 0.000 2.442 261 S HA -0.011 4.461 4.470 0.003 0.000 0.236 261 S C 1.324 175.937 174.600 0.022 0.000 1.007 261 S CA 1.363 59.576 58.200 0.021 0.000 0.965 261 S CB -0.473 62.739 63.200 0.020 0.000 0.773 261 S HN 0.409 nan 8.310 nan 0.000 0.504 262 L N 1.016 122.254 121.223 0.025 0.000 2.700 262 L HA 0.378 4.720 4.340 0.003 0.000 0.234 262 L C 1.414 178.300 176.870 0.028 0.000 1.156 262 L CA 0.176 55.032 54.840 0.026 0.000 0.946 262 L CB -0.246 41.830 42.059 0.029 0.000 1.216 262 L HN 0.562 nan 8.230 nan 0.000 0.493 263 G N 1.124 109.940 108.800 0.027 0.000 2.171 263 G HA2 -0.264 3.698 3.960 0.003 0.000 0.238 263 G HA3 -0.264 3.698 3.960 0.003 0.000 0.238 263 G C -0.306 174.613 174.900 0.031 0.000 1.039 263 G CA -0.125 44.991 45.100 0.027 0.000 0.759 263 G HN 0.257 nan 8.290 nan 0.000 0.501 264 L N 0.101 121.343 121.223 0.032 0.000 2.349 264 L HA 0.544 4.886 4.340 0.003 0.000 0.278 264 L C 0.835 177.723 176.870 0.030 0.000 0.996 264 L CA -1.108 53.753 54.840 0.035 0.000 0.825 264 L CB 1.284 43.368 42.059 0.041 0.000 1.243 264 L HN 0.220 nan 8.230 nan 0.000 0.412 265 R N 3.793 124.307 120.500 0.023 0.000 2.399 265 R HA 0.372 4.714 4.340 0.003 0.000 0.324 265 R C -1.437 174.881 176.300 0.030 0.000 1.030 265 R CA 0.006 56.114 56.100 0.013 0.000 0.984 265 R CB 0.378 30.671 30.300 -0.012 0.000 0.961 265 R HN 0.405 nan 8.270 nan 0.000 0.433 266 V N 2.952 122.892 119.914 0.043 0.000 2.789 266 V HA 0.691 4.813 4.120 0.003 0.000 0.311 266 V C -0.652 175.493 176.094 0.086 0.000 1.073 266 V CA -0.845 61.493 62.300 0.064 0.000 0.921 266 V CB 1.969 33.829 31.823 0.062 0.000 1.009 266 V HN 0.889 nan 8.190 nan 0.000 0.426 267 A N 2.725 125.611 122.820 0.110 0.000 2.435 267 A HA 1.022 5.344 4.320 0.003 0.000 0.304 267 A C -0.558 177.108 177.584 0.136 0.000 1.064 267 A CA -0.287 51.835 52.037 0.142 0.000 0.727 267 A CB 1.945 21.066 19.000 0.201 0.000 1.284 267 A HN 1.559 nan 8.150 nan 0.000 0.415 268 A N 0.428 123.327 122.820 0.131 0.000 2.355 268 A HA 0.851 5.173 4.320 0.003 0.000 0.317 268 A C -0.178 177.484 177.584 0.131 0.000 1.094 268 A CA 0.024 52.135 52.037 0.124 0.000 0.764 268 A CB 1.306 20.365 19.000 0.098 0.000 1.230 268 A HN 2.321 nan 8.150 nan 0.000 0.448 269 A N 2.278 125.184 122.820 0.143 0.000 2.318 269 A HA 0.666 4.988 4.320 0.003 0.000 0.317 269 A C -0.705 176.924 177.584 0.075 0.000 1.159 269 A CA -0.398 51.722 52.037 0.137 0.000 0.799 269 A CB 0.440 19.610 19.000 0.283 0.000 1.194 269 A HN 0.810 nan 8.150 nan 0.000 0.479 270 L N 3.174 124.384 121.223 -0.021 0.000 2.278 270 L HA 0.455 4.797 4.340 0.003 0.000 0.287 270 L C 0.430 177.396 176.870 0.160 0.000 1.072 270 L CA -0.102 54.797 54.840 0.098 0.000 0.819 270 L CB 1.157 43.203 42.059 -0.022 0.000 1.176 270 L HN 0.864 nan 8.230 nan 0.000 0.435 271 T N 0.485 115.172 114.554 0.221 0.000 2.876 271 T HA 0.720 5.072 4.350 0.003 0.000 0.289 271 T C -0.083 174.355 174.700 -0.437 0.000 1.014 271 T CA -0.865 61.252 62.100 0.029 0.000 0.986 271 T CB 1.907 70.798 68.868 0.039 0.000 1.021 271 T HN 0.561 nan 8.240 nan 0.000 0.458 272 A N 2.881 125.324 122.820 -0.628 0.000 2.498 272 A HA 0.575 4.897 4.320 0.003 0.000 0.239 272 A C 0.468 177.765 177.584 -0.478 0.000 1.068 272 A CA -0.385 51.091 52.037 -0.935 0.000 0.766 272 A CB -0.169 18.566 19.000 -0.443 0.000 1.003 272 A HN 1.048 nan 8.150 nan 0.000 0.497 273 M N 1.499 120.837 119.600 -0.437 0.000 3.859 273 M HA 0.223 4.705 4.480 0.003 0.000 0.494 273 M C -0.254 175.967 176.300 -0.131 0.000 1.804 273 M CA -0.045 55.134 55.300 -0.201 0.000 0.670 273 M CB 0.270 32.783 32.600 -0.145 0.000 1.466 273 M HN 0.745 nan 8.290 nan 0.000 0.548 274 D N 1.207 121.524 120.400 -0.137 0.000 2.162 274 D HA 0.009 4.651 4.640 0.003 0.000 0.203 274 D C 0.427 176.709 176.300 -0.030 0.000 0.967 274 D CA 0.908 54.869 54.000 -0.065 0.000 0.840 274 D CB 0.479 41.250 40.800 -0.048 0.000 0.972 274 D HN 0.561 nan 8.370 nan 0.000 0.482 275 K N 0.591 120.973 120.400 -0.030 0.000 2.295 275 K HA 0.597 4.919 4.320 0.003 0.000 0.239 275 K C -3.004 173.591 176.600 -0.007 0.000 0.991 275 K CA -1.854 54.432 56.287 -0.001 0.000 0.845 275 K CB 1.817 34.325 32.500 0.014 0.000 1.197 275 K HN -0.339 nan 8.250 nan 0.000 0.441 276 P HA 0.016 nan 4.420 nan 0.000 0.274 276 P C -0.966 176.329 177.300 -0.010 0.000 1.237 276 P CA -0.730 62.369 63.100 -0.001 0.000 0.793 276 P CB 0.427 32.133 31.700 0.010 0.000 0.977 277 L N 2.104 123.315 121.223 -0.021 0.000 2.276 277 L HA 0.506 4.848 4.340 0.003 0.000 0.286 277 L C 0.725 177.579 176.870 -0.026 0.000 1.061 277 L CA 1.062 55.888 54.840 -0.023 0.000 0.807 277 L CB -0.564 41.477 42.059 -0.030 0.000 1.177 277 L HN 0.763 nan 8.230 nan 0.000 0.429 278 G N 6.177 114.965 108.800 -0.021 0.000 2.642 278 G HA2 -0.279 3.683 3.960 0.003 0.000 0.231 278 G HA3 -0.279 3.683 3.960 0.003 0.000 0.231 278 G C 0.408 175.298 174.900 -0.017 0.000 1.338 278 G CA 0.235 45.320 45.100 -0.025 0.000 0.883 278 G HN 0.743 nan 8.290 nan 0.000 0.570 279 R N -1.420 119.067 120.500 -0.023 0.000 2.394 279 R HA 0.303 4.645 4.340 0.003 0.000 0.220 279 R C 0.393 176.676 176.300 -0.029 0.000 0.887 279 R CA 0.510 56.602 56.100 -0.013 0.000 1.034 279 R CB 0.647 30.942 30.300 -0.010 0.000 1.179 279 R HN 0.437 nan 8.270 nan 0.000 0.561 280 C N 1.949 121.219 119.300 -0.050 0.000 2.295 280 C HA 0.568 5.030 4.460 0.003 0.000 0.331 280 C C 0.175 175.112 174.990 -0.089 0.000 1.280 280 C CA -0.692 58.279 59.018 -0.078 0.000 1.746 280 C CB 1.249 28.932 27.740 -0.096 0.000 2.328 280 C HN 0.036 nan 8.230 nan 0.000 0.521 281 V N 3.880 123.734 119.914 -0.100 0.000 2.540 281 V HA 0.959 5.081 4.120 0.003 0.000 0.302 281 V C 0.600 176.594 176.094 -0.167 0.000 1.035 281 V CA 0.705 62.938 62.300 -0.113 0.000 0.873 281 V CB 1.042 32.824 31.823 -0.069 0.000 0.992 281 V HN 1.289 nan 8.190 nan 0.000 0.428 282 G N 3.054 111.699 108.800 -0.259 0.000 2.350 282 G HA2 0.070 4.032 3.960 0.003 0.000 0.085 282 G HA3 0.070 4.032 3.960 0.003 0.000 0.085 282 G C -0.142 174.344 174.900 -0.689 0.000 1.159 282 G CA 0.153 45.005 45.100 -0.414 0.000 1.146 282 G HN 0.570 nan 8.290 nan 0.000 0.449 283 H N -0.937 118.096 119.070 -0.062 0.000 2.984 283 H HA 0.470 5.028 4.556 0.003 0.000 0.137 283 H C 2.788 178.077 175.328 -0.065 0.000 1.110 283 H CA 1.089 57.102 56.048 -0.059 0.000 1.070 283 H CB -0.337 29.396 29.762 -0.048 0.000 1.019 283 H HN 0.698 nan 8.280 nan 0.000 0.291 284 A N 1.873 124.737 122.820 0.075 0.000 1.892 284 A HA -0.138 4.184 4.320 0.003 0.000 0.218 284 A C 2.506 180.064 177.584 -0.045 0.000 1.188 284 A CA 1.766 53.808 52.037 0.008 0.000 0.631 284 A CB -1.167 17.834 19.000 0.001 0.000 0.822 284 A HN 0.266 nan 8.150 nan 0.000 0.447 285 L N -0.823 120.340 121.223 -0.100 0.000 2.042 285 L HA -0.216 4.126 4.340 0.003 0.000 0.210 285 L C 2.560 179.363 176.870 -0.112 0.000 1.076 285 L CA 1.727 56.477 54.840 -0.149 0.000 0.749 285 L CB -0.552 41.364 42.059 -0.238 0.000 0.893 285 L HN 0.486 nan 8.230 nan 0.000 0.432 286 E N -0.655 119.481 120.200 -0.105 0.000 2.274 286 E HA -0.128 4.224 4.350 0.003 0.000 0.194 286 E C 2.235 178.789 176.600 -0.076 0.000 0.996 286 E CA 0.715 57.057 56.400 -0.096 0.000 0.840 286 E CB 0.120 29.756 29.700 -0.108 0.000 0.772 286 E HN 0.310 nan 8.360 nan 0.000 0.491 287 V N 2.158 122.042 119.914 -0.050 0.000 2.453 287 V HA -0.250 3.872 4.120 0.003 0.000 0.247 287 V C 2.406 178.482 176.094 -0.031 0.000 1.048 287 V CA 2.172 64.457 62.300 -0.026 0.000 1.049 287 V CB -0.538 31.296 31.823 0.019 0.000 0.672 287 V HN 0.387 nan 8.190 nan 0.000 0.457 288 E N 0.474 120.654 120.200 -0.035 0.000 2.152 288 E HA -0.259 4.093 4.350 0.003 0.000 0.192 288 E C 2.080 178.649 176.600 -0.052 0.000 0.983 288 E CA 1.479 57.860 56.400 -0.031 0.000 0.818 288 E CB -0.322 29.360 29.700 -0.030 0.000 0.758 288 E HN 0.692 nan 8.360 nan 0.000 0.467 289 E N 0.675 120.835 120.200 -0.068 0.000 2.107 289 E HA -0.135 4.217 4.350 0.003 0.000 0.191 289 E C 2.056 178.601 176.600 -0.093 0.000 0.982 289 E CA 0.899 57.256 56.400 -0.072 0.000 0.809 289 E CB -0.103 29.554 29.700 -0.072 0.000 0.756 289 E HN 0.401 nan 8.360 nan 0.000 0.459 290 A N 0.960 123.708 122.820 -0.119 0.000 1.902 290 A HA -0.175 4.147 4.320 0.003 0.000 0.217 290 A C 2.140 179.600 177.584 -0.207 0.000 1.181 290 A CA 1.125 53.053 52.037 -0.183 0.000 0.623 290 A CB -0.668 18.187 19.000 -0.242 0.000 0.818 290 A HN 0.276 nan 8.150 nan 0.000 0.443 291 L N -1.121 120.005 121.223 -0.161 0.000 2.083 291 L HA -0.168 4.174 4.340 0.003 0.000 0.209 291 L C 2.511 179.335 176.870 -0.077 0.000 1.083 291 L CA 1.090 55.863 54.840 -0.111 0.000 0.752 291 L CB -0.482 41.566 42.059 -0.019 0.000 0.899 291 L HN 0.466 nan 8.230 nan 0.000 0.433 292 L N -0.734 120.449 121.223 -0.066 0.000 2.083 292 L HA -0.243 4.099 4.340 0.003 0.000 0.209 292 L C 2.549 179.384 176.870 -0.058 0.000 1.083 292 L CA 1.645 56.456 54.840 -0.050 0.000 0.752 292 L CB -0.618 41.415 42.059 -0.044 0.000 0.899 292 L HN 0.356 nan 8.230 nan 0.000 0.433 293 C N -0.444 118.808 119.300 -0.080 0.000 2.446 293 C HA -0.133 4.329 4.460 0.003 0.000 0.277 293 C C 2.718 177.657 174.990 -0.084 0.000 1.275 293 C CA 0.888 59.857 59.018 -0.081 0.000 1.727 293 C CB -0.650 27.030 27.740 -0.099 0.000 2.010 293 C HN 0.618 nan 8.230 nan 0.000 0.486 294 M N 1.029 120.563 119.600 -0.110 0.000 2.460 294 M HA -0.052 4.430 4.480 0.003 0.000 0.263 294 M C 0.554 176.822 176.300 -0.054 0.000 1.071 294 M CA 1.504 56.744 55.300 -0.099 0.000 1.096 294 M CB -0.465 32.045 32.600 -0.149 0.000 1.408 294 M HN 0.604 nan 8.290 nan 0.000 0.463 295 D N -0.884 119.491 120.400 -0.042 0.000 2.895 295 D HA 0.307 4.949 4.640 0.003 0.000 0.258 295 D C 0.959 177.245 176.300 -0.023 0.000 1.311 295 D CA 0.137 54.123 54.000 -0.023 0.000 0.843 295 D CB -0.317 40.476 40.800 -0.012 0.000 1.055 295 D HN 0.327 nan 8.370 nan 0.000 0.486 296 G N -1.202 107.580 108.800 -0.030 0.000 2.184 296 G HA2 -0.191 3.771 3.960 0.003 0.000 0.264 296 G HA3 -0.191 3.771 3.960 0.003 0.000 0.264 296 G C 0.595 175.479 174.900 -0.026 0.000 0.975 296 G CA 0.301 45.385 45.100 -0.027 0.000 0.642 296 G HN 0.902 nan 8.290 nan 0.000 0.536 297 A N -0.872 121.931 122.820 -0.029 0.000 3.444 297 A HA 1.111 5.433 4.320 0.003 0.000 0.189 297 A C 1.466 179.030 177.584 -0.033 0.000 1.542 297 A CA 0.906 52.927 52.037 -0.027 0.000 0.867 297 A CB 0.463 19.449 19.000 -0.023 0.000 1.712 297 A HN 2.419 nan 8.150 nan 0.000 0.556 298 G N -1.658 107.123 108.800 -0.030 0.000 2.707 298 G HA2 0.110 4.072 3.960 0.003 0.000 0.686 298 G HA3 0.110 4.072 3.960 0.003 0.000 0.686 298 G C -2.808 172.075 174.900 -0.028 0.000 1.315 298 G CA -0.337 44.743 45.100 -0.034 0.000 0.832 298 G HN 0.895 nan 8.290 nan 0.000 0.573 299 P HA 0.270 nan 4.420 nan 0.000 0.271 299 P C -2.057 175.231 177.300 -0.019 0.000 1.218 299 P CA -1.070 62.018 63.100 -0.021 0.000 0.780 299 P CB 0.876 32.565 31.700 -0.019 0.000 0.901 300 P HA -0.177 nan 4.420 nan 0.000 0.217 300 P C 1.261 178.558 177.300 -0.005 0.000 1.150 300 P CA 1.525 64.619 63.100 -0.010 0.000 0.832 300 P CB -0.123 31.574 31.700 -0.004 0.000 0.787 301 D N -0.111 120.289 120.400 0.000 0.000 2.123 301 D HA -0.186 4.456 4.640 0.003 0.000 0.196 301 D C 2.024 178.323 176.300 -0.001 0.000 0.992 301 D CA 1.136 55.140 54.000 0.007 0.000 0.833 301 D CB -1.231 39.575 40.800 0.010 0.000 0.954 301 D HN 0.176 nan 8.370 nan 0.000 0.455 302 L N 0.087 121.302 121.223 -0.014 0.000 1.994 302 L HA -0.139 4.203 4.340 0.003 0.000 0.208 302 L C 2.972 179.826 176.870 -0.028 0.000 1.071 302 L CA 1.308 56.133 54.840 -0.026 0.000 0.745 302 L CB -0.233 41.803 42.059 -0.038 0.000 0.892 302 L HN -0.010 nan 8.230 nan 0.000 0.431 303 R N -0.277 120.205 120.500 -0.030 0.000 2.105 303 R HA -0.211 4.130 4.340 0.003 0.000 0.239 303 R C 1.946 178.230 176.300 -0.028 0.000 1.135 303 R CA 1.917 57.997 56.100 -0.033 0.000 0.967 303 R CB -0.278 30.003 30.300 -0.031 0.000 0.861 303 R HN 0.480 nan 8.270 nan 0.000 0.442 304 D N 0.674 121.064 120.400 -0.018 0.000 2.078 304 D HA -0.191 4.451 4.640 0.003 0.000 0.193 304 D C 1.978 178.269 176.300 -0.014 0.000 0.990 304 D CA 1.037 55.028 54.000 -0.016 0.000 0.827 304 D CB -0.220 40.583 40.800 0.005 0.000 0.975 304 D HN 0.217 nan 8.370 nan 0.000 0.451 305 L N 0.700 121.930 121.223 0.010 0.000 2.043 305 L HA -0.200 4.142 4.340 0.003 0.000 0.212 305 L C 2.539 179.412 176.870 0.004 0.000 1.075 305 L CA 1.001 55.859 54.840 0.031 0.000 0.752 305 L CB -0.234 41.847 42.059 0.036 0.000 0.891 305 L HN -0.033 nan 8.230 nan 0.000 0.432 306 V N -0.164 119.740 119.914 -0.016 0.000 2.332 306 V HA -0.310 3.812 4.120 0.003 0.000 0.248 306 V C 2.694 178.769 176.094 -0.031 0.000 1.055 306 V CA 2.355 64.639 62.300 -0.027 0.000 1.038 306 V CB -1.055 30.742 31.823 -0.044 0.000 0.651 306 V HN 0.696 nan 8.190 nan 0.000 0.450 307 T N -3.369 111.160 114.554 -0.040 0.000 2.904 307 T HA -0.146 4.206 4.350 0.003 0.000 0.267 307 T C 1.754 176.412 174.700 -0.071 0.000 1.059 307 T CA 1.731 63.802 62.100 -0.049 0.000 1.137 307 T CB -0.488 68.350 68.868 -0.051 0.000 0.879 307 T HN 0.442 nan 8.240 nan 0.000 0.467 308 T N 2.152 116.646 114.554 -0.100 0.000 2.896 308 T HA 0.244 4.596 4.350 0.003 0.000 0.263 308 T C 1.876 176.505 174.700 -0.118 0.000 1.050 308 T CA 0.795 62.778 62.100 -0.194 0.000 1.140 308 T CB -0.330 68.326 68.868 -0.353 0.000 0.877 308 T HN 0.276 nan 8.240 nan 0.000 0.457 309 L N 0.607 121.817 121.223 -0.021 0.000 2.072 309 L HA 0.099 4.441 4.340 0.003 0.000 0.205 309 L C 3.038 179.931 176.870 0.037 0.000 1.079 309 L CA 1.244 56.111 54.840 0.046 0.000 0.752 309 L CB -0.991 41.110 42.059 0.071 0.000 0.906 309 L HN 0.333 nan 8.230 nan 0.000 0.436 310 G N -0.095 108.711 108.800 0.010 0.000 2.418 310 G HA2 -0.195 3.767 3.960 0.003 0.000 0.217 310 G HA3 -0.195 3.767 3.960 0.003 0.000 0.217 310 G C 1.589 176.505 174.900 0.026 0.000 1.158 310 G CA 0.745 45.851 45.100 0.010 0.000 0.771 310 G HN 0.476 nan 8.290 nan 0.000 0.545 311 G N 0.875 109.680 108.800 0.008 0.000 2.422 311 G HA2 0.094 4.056 3.960 0.003 0.000 0.218 311 G HA3 0.094 4.056 3.960 0.003 0.000 0.218 311 G C 1.966 176.920 174.900 0.089 0.000 1.140 311 G CA 1.429 46.545 45.100 0.026 0.000 0.775 311 G HN 0.638 nan 8.290 nan 0.000 0.545 312 A N 0.283 123.148 122.820 0.074 0.000 1.929 312 A HA 0.215 4.537 4.320 0.003 0.000 0.216 312 A C 2.302 180.042 177.584 0.258 0.000 1.176 312 A CA 1.164 53.304 52.037 0.171 0.000 0.628 312 A CB -0.307 18.769 19.000 0.127 0.000 0.816 312 A HN 0.384 nan 8.150 nan 0.000 0.444 313 L N -0.433 120.884 121.223 0.157 0.000 2.056 313 L HA -0.078 4.264 4.340 0.003 0.000 0.207 313 L C 2.313 179.255 176.870 0.120 0.000 1.078 313 L CA 1.141 56.055 54.840 0.124 0.000 0.749 313 L CB -0.220 41.881 42.059 0.070 0.000 0.901 313 L HN 0.383 nan 8.230 nan 0.000 0.433 314 L N -1.429 119.867 121.223 0.123 0.000 2.083 314 L HA -0.250 4.092 4.340 0.003 0.000 0.209 314 L C 2.371 179.349 176.870 0.180 0.000 1.083 314 L CA 1.576 56.498 54.840 0.136 0.000 0.752 314 L CB -0.751 41.375 42.059 0.112 0.000 0.899 314 L HN 0.528 nan 8.230 nan 0.000 0.433 315 W N 0.870 122.196 121.300 0.043 0.000 2.354 315 W HA -0.215 4.446 4.660 0.001 0.000 0.315 315 W C 2.377 178.921 176.519 0.040 0.000 1.206 315 W CA 1.276 58.641 57.345 0.034 0.000 1.290 315 W CB -0.450 29.021 29.460 0.018 0.000 1.152 315 W HN -0.073 nan 8.180 nan 0.000 0.489 316 L N 1.072 122.233 121.223 -0.104 0.000 2.051 316 L HA -0.288 4.054 4.340 0.003 0.000 0.214 316 L C 2.533 179.243 176.870 -0.266 0.000 1.076 316 L CA 2.441 57.094 54.840 -0.311 0.000 0.758 316 L CB -0.994 41.063 42.059 -0.004 0.000 0.890 316 L HN 0.264 nan 8.230 nan 0.000 0.433 317 S N -1.502 114.146 115.700 -0.086 0.000 2.603 317 S HA 0.087 4.559 4.470 0.003 0.000 0.220 317 S C 1.453 175.986 174.600 -0.111 0.000 0.967 317 S CA 0.470 58.662 58.200 -0.014 0.000 0.920 317 S CB 0.367 63.685 63.200 0.196 0.000 0.773 317 S HN 0.658 nan 8.310 nan 0.000 0.529 318 G N 0.851 109.530 108.800 -0.201 0.000 2.179 318 G HA2 -0.336 3.627 3.960 0.003 0.000 0.260 318 G HA3 -0.336 3.627 3.960 0.003 0.000 0.260 318 G C 0.450 175.230 174.900 -0.200 0.000 0.977 318 G CA 0.594 45.551 45.100 -0.239 0.000 0.641 318 G HN 0.660 nan 8.290 nan 0.000 0.533 319 H N 0.585 119.626 119.070 -0.048 0.000 2.423 319 H HA 0.486 5.045 4.556 0.004 0.000 0.297 319 H C 1.836 177.172 175.328 0.013 0.000 1.075 319 H CA 1.789 57.827 56.048 -0.016 0.000 1.342 319 H CB 0.194 29.946 29.762 -0.016 0.000 1.395 319 H HN 0.807 nan 8.280 nan 0.000 0.530 320 A N -0.440 122.466 122.820 0.144 0.000 2.355 320 A HA 0.562 4.884 4.320 0.003 0.000 0.324 320 A C 1.649 179.340 177.584 0.178 0.000 1.117 320 A CA -0.154 51.970 52.037 0.144 0.000 0.785 320 A CB 1.128 20.223 19.000 0.159 0.000 1.254 320 A HN 0.355 nan 8.150 nan 0.000 0.453 321 G N 0.286 109.178 108.800 0.153 0.000 2.402 321 G HA2 0.264 4.226 3.960 0.003 0.000 0.216 321 G HA3 0.264 4.226 3.960 0.003 0.000 0.216 321 G C 0.780 175.859 174.900 0.299 0.000 1.162 321 G CA 1.716 46.924 45.100 0.181 0.000 0.777 321 G HN 1.361 nan 8.290 nan 0.000 0.539 322 T N -4.100 110.571 114.554 0.196 0.000 2.838 322 T HA 0.473 4.825 4.350 0.003 0.000 0.292 322 T C 0.730 175.425 174.700 -0.008 0.000 1.113 322 T CA -0.163 61.968 62.100 0.053 0.000 1.008 322 T CB 2.042 70.895 68.868 -0.025 0.000 1.259 322 T HN -0.026 nan 8.240 nan 0.000 0.520 323 Q N 0.998 120.681 119.800 -0.194 0.000 2.030 323 Q HA -0.013 4.329 4.340 0.003 0.000 0.204 323 Q C 2.380 178.327 176.000 -0.089 0.000 0.986 323 Q CA 2.843 58.550 55.803 -0.160 0.000 0.843 323 Q CB -1.168 27.410 28.738 -0.266 0.000 0.904 323 Q HN 0.903 nan 8.270 nan 0.000 0.420 324 A N 0.069 122.835 122.820 -0.090 0.000 1.902 324 A HA -0.262 4.060 4.320 0.003 0.000 0.217 324 A C 2.063 179.631 177.584 -0.028 0.000 1.181 324 A CA 1.771 53.771 52.037 -0.062 0.000 0.623 324 A CB -0.639 18.327 19.000 -0.057 0.000 0.818 324 A HN 0.605 nan 8.150 nan 0.000 0.443 325 Q N -0.917 118.881 119.800 -0.004 0.000 2.020 325 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 325 Q C 2.290 178.305 176.000 0.025 0.000 0.982 325 Q CA 1.273 57.087 55.803 0.018 0.000 0.838 325 Q CB -0.496 28.267 28.738 0.041 0.000 0.899 325 Q HN 0.675 nan 8.270 nan 0.000 0.423 326 G N 0.764 109.591 108.800 0.046 0.000 2.418 326 G HA2 -0.252 3.710 3.960 0.003 0.000 0.217 326 G HA3 -0.252 3.710 3.960 0.003 0.000 0.217 326 G C 1.505 176.413 174.900 0.012 0.000 1.158 326 G CA 0.942 46.072 45.100 0.051 0.000 0.771 326 G HN 0.419 nan 8.290 nan 0.000 0.545 327 A N 1.298 124.111 122.820 -0.012 0.000 1.883 327 A HA 0.212 4.534 4.320 0.003 0.000 0.217 327 A C 2.849 180.417 177.584 -0.027 0.000 1.186 327 A CA 2.429 54.445 52.037 -0.035 0.000 0.624 327 A CB -0.918 18.044 19.000 -0.064 0.000 0.822 327 A HN 0.850 nan 8.150 nan 0.000 0.444 328 A N -0.471 122.337 122.820 -0.020 0.000 1.940 328 A HA -0.181 4.141 4.320 0.003 0.000 0.219 328 A C 2.266 179.843 177.584 -0.011 0.000 1.176 328 A CA 1.597 53.625 52.037 -0.016 0.000 0.631 328 A CB -0.471 18.522 19.000 -0.011 0.000 0.814 328 A HN 0.555 nan 8.150 nan 0.000 0.446 329 R N -0.725 119.773 120.500 -0.004 0.000 2.066 329 R HA -0.081 4.261 4.340 0.003 0.000 0.232 329 R C 2.077 178.369 176.300 -0.014 0.000 1.131 329 R CA 1.523 57.621 56.100 -0.004 0.000 0.955 329 R CB -0.553 29.750 30.300 0.006 0.000 0.851 329 R HN 0.418 nan 8.270 nan 0.000 0.432 330 V N 1.032 120.936 119.914 -0.017 0.000 2.343 330 V HA -0.235 3.887 4.120 0.003 0.000 0.247 330 V C 2.484 178.561 176.094 -0.029 0.000 1.051 330 V CA 1.928 64.213 62.300 -0.026 0.000 1.036 330 V CB -0.810 30.996 31.823 -0.028 0.000 0.654 330 V HN 0.391 nan 8.190 nan 0.000 0.451 331 A N 0.275 123.079 122.820 -0.027 0.000 1.908 331 A HA -0.162 4.160 4.320 0.003 0.000 0.218 331 A C 2.447 180.017 177.584 -0.024 0.000 1.181 331 A CA 2.232 54.253 52.037 -0.028 0.000 0.627 331 A CB -0.866 18.118 19.000 -0.026 0.000 0.818 331 A HN 0.597 nan 8.150 nan 0.000 0.445 332 A N -0.259 122.550 122.820 -0.019 0.000 1.940 332 A HA 0.129 4.451 4.320 0.003 0.000 0.219 332 A C 2.445 180.019 177.584 -0.017 0.000 1.176 332 A CA 2.092 54.120 52.037 -0.016 0.000 0.631 332 A CB -0.897 18.096 19.000 -0.011 0.000 0.814 332 A HN 1.108 nan 8.150 nan 0.000 0.446 333 A N -0.482 122.325 122.820 -0.021 0.000 2.015 333 A HA 0.073 4.395 4.320 0.003 0.000 0.219 333 A C 2.083 179.652 177.584 -0.026 0.000 1.163 333 A CA 1.255 53.278 52.037 -0.023 0.000 0.646 333 A CB -0.435 18.548 19.000 -0.029 0.000 0.806 333 A HN 0.477 nan 8.150 nan 0.000 0.448 334 L N -0.732 120.473 121.223 -0.031 0.000 2.131 334 L HA -0.100 4.242 4.340 0.003 0.000 0.206 334 L C 1.661 178.515 176.870 -0.027 0.000 1.087 334 L CA 1.166 55.984 54.840 -0.036 0.000 0.767 334 L CB -0.531 41.503 42.059 -0.041 0.000 0.917 334 L HN 0.300 nan 8.230 nan 0.000 0.441 335 D N -0.443 119.944 120.400 -0.022 0.000 2.183 335 D HA -0.130 4.511 4.640 0.003 0.000 0.205 335 D C 1.692 177.985 176.300 -0.012 0.000 0.962 335 D CA 0.709 54.699 54.000 -0.017 0.000 0.849 335 D CB -0.085 40.706 40.800 -0.015 0.000 0.978 335 D HN 0.125 nan 8.370 nan 0.000 0.488 336 D N 0.069 120.462 120.400 -0.012 0.000 2.116 336 D HA -0.125 4.517 4.640 0.003 0.000 0.193 336 D C 1.723 178.020 176.300 -0.005 0.000 0.998 336 D CA 2.259 56.254 54.000 -0.008 0.000 0.836 336 D CB -0.108 40.687 40.800 -0.009 0.000 0.951 336 D HN 0.383 nan 8.370 nan 0.000 0.449 337 G N -1.383 107.414 108.800 -0.005 0.000 2.184 337 G HA2 -0.283 3.679 3.960 0.003 0.000 0.206 337 G HA3 -0.283 3.679 3.960 0.003 0.000 0.206 337 G C 1.162 176.066 174.900 0.007 0.000 0.995 337 G CA 1.071 46.172 45.100 0.001 0.000 0.651 337 G HN 0.437 nan 8.290 nan 0.000 0.511 338 S N 0.090 115.791 115.700 0.002 0.000 2.436 338 S HA 0.445 4.917 4.470 0.003 0.000 0.228 338 S C 2.541 177.147 174.600 0.010 0.000 1.014 338 S CA 1.402 59.605 58.200 0.004 0.000 0.950 338 S CB -0.129 63.069 63.200 -0.005 0.000 0.784 338 S HN 1.616 nan 8.310 nan 0.000 0.504 339 A N 2.506 125.327 122.820 0.001 0.000 1.841 339 A HA 0.156 4.478 4.320 0.003 0.000 0.214 339 A C 2.219 179.832 177.584 0.047 0.000 1.195 339 A CA 1.273 53.312 52.037 0.003 0.000 0.611 339 A CB -1.069 17.911 19.000 -0.033 0.000 0.835 339 A HN 0.479 nan 8.150 nan 0.000 0.443 340 L N -0.564 120.681 121.223 0.037 0.000 2.043 340 L HA -0.219 4.123 4.340 0.003 0.000 0.212 340 L C 2.609 179.562 176.870 0.138 0.000 1.075 340 L CA 1.610 56.504 54.840 0.091 0.000 0.752 340 L CB -0.688 41.401 42.059 0.050 0.000 0.891 340 L HN 0.524 nan 8.230 nan 0.000 0.432 341 G N -0.992 107.855 108.800 0.078 0.000 2.418 341 G HA2 -0.279 3.683 3.960 0.003 0.000 0.217 341 G HA3 -0.279 3.683 3.960 0.003 0.000 0.217 341 G C 1.580 176.519 174.900 0.065 0.000 1.158 341 G CA 0.450 45.587 45.100 0.060 0.000 0.771 341 G HN 0.230 nan 8.290 nan 0.000 0.545 342 R N -0.481 120.062 120.500 0.072 0.000 2.075 342 R HA 0.088 4.430 4.340 0.003 0.000 0.232 342 R C 2.128 178.498 176.300 0.118 0.000 1.126 342 R CA 0.588 56.726 56.100 0.063 0.000 0.963 342 R CB -0.991 29.334 30.300 0.043 0.000 0.858 342 R HN 0.360 nan 8.270 nan 0.000 0.435 343 F N 1.844 121.791 119.950 -0.005 0.000 2.161 343 F HA -0.191 4.338 4.527 0.003 0.000 0.300 343 F C 2.192 178.009 175.800 0.028 0.000 1.089 343 F CA 1.678 59.685 58.000 0.012 0.000 1.282 343 F CB -0.218 38.783 39.000 0.002 0.000 1.010 343 F HN 0.133 nan 8.300 nan 0.000 0.485 344 E N 0.311 120.539 120.200 0.046 0.000 2.051 344 E HA -0.230 4.122 4.350 0.003 0.000 0.192 344 E C 2.444 178.997 176.600 -0.078 0.000 0.991 344 E CA 1.211 57.583 56.400 -0.047 0.000 0.799 344 E CB -0.171 29.541 29.700 0.021 0.000 0.748 344 E HN 0.414 nan 8.360 nan 0.000 0.449 345 R N -0.009 120.469 120.500 -0.036 0.000 2.096 345 R HA -0.114 4.228 4.340 0.003 0.000 0.235 345 R C 2.564 178.826 176.300 -0.063 0.000 1.127 345 R CA 1.674 57.751 56.100 -0.039 0.000 0.968 345 R CB -0.325 29.965 30.300 -0.018 0.000 0.861 345 R HN 0.306 nan 8.270 nan 0.000 0.440 346 M N 0.794 120.351 119.600 -0.073 0.000 2.086 346 M HA -0.193 4.289 4.480 0.003 0.000 0.261 346 M C 1.988 178.221 176.300 -0.112 0.000 1.067 346 M CA 1.708 56.965 55.300 -0.071 0.000 1.116 346 M CB -0.050 32.535 32.600 -0.025 0.000 1.348 346 M HN 0.151 nan 8.290 nan 0.000 0.407 347 L N 0.060 121.170 121.223 -0.188 0.000 2.013 347 L HA -0.224 4.118 4.340 0.003 0.000 0.212 347 L C 2.733 179.531 176.870 -0.120 0.000 1.073 347 L CA 1.572 56.335 54.840 -0.128 0.000 0.753 347 L CB -1.204 40.727 42.059 -0.214 0.000 0.890 347 L HN 0.428 nan 8.230 nan 0.000 0.432 348 A N -0.235 122.521 122.820 -0.105 0.000 1.969 348 A HA -0.047 4.275 4.320 0.003 0.000 0.218 348 A C 2.401 179.928 177.584 -0.095 0.000 1.169 348 A CA 1.519 53.505 52.037 -0.083 0.000 0.635 348 A CB -0.506 18.459 19.000 -0.057 0.000 0.810 348 A HN 0.417 nan 8.150 nan 0.000 0.445 349 A N -1.338 121.422 122.820 -0.100 0.000 2.169 349 A HA 0.044 4.366 4.320 0.003 0.000 0.212 349 A C 1.725 179.219 177.584 -0.151 0.000 1.153 349 A CA 0.862 52.843 52.037 -0.093 0.000 0.756 349 A CB -0.172 18.792 19.000 -0.060 0.000 0.813 349 A HN 0.589 nan 8.150 nan 0.000 0.471 350 Q N -1.533 118.114 119.800 -0.255 0.000 2.188 350 Q HA 0.323 4.665 4.340 0.003 0.000 0.212 350 Q C 0.915 176.644 176.000 -0.451 0.000 0.846 350 Q CA 0.315 55.857 55.803 -0.435 0.000 0.989 350 Q CB 0.589 28.848 28.738 -0.799 0.000 1.114 350 Q HN 0.752 nan 8.270 nan 0.000 0.488 351 G N -0.064 108.582 108.800 -0.258 0.000 2.316 351 G HA2 -0.218 3.744 3.960 0.003 0.000 0.203 351 G HA3 -0.218 3.744 3.960 0.003 0.000 0.203 351 G C 0.219 175.053 174.900 -0.110 0.000 0.999 351 G CA -0.304 44.690 45.100 -0.177 0.000 0.649 351 G HN 0.190 nan 8.290 nan 0.000 0.489 352 V N 2.922 122.775 119.914 -0.102 0.000 2.585 352 V HA 0.259 4.381 4.120 0.003 0.000 0.296 352 V C 0.865 176.937 176.094 -0.038 0.000 1.035 352 V CA -0.154 62.126 62.300 -0.034 0.000 1.084 352 V CB 1.490 33.313 31.823 0.000 0.000 0.953 352 V HN 0.446 nan 8.190 nan 0.000 0.483 353 D N 6.479 126.866 120.400 -0.022 0.000 2.487 353 D HA 0.006 4.648 4.640 0.003 0.000 0.243 353 D C -1.527 174.761 176.300 -0.020 0.000 1.154 353 D CA -1.067 52.921 54.000 -0.020 0.000 0.876 353 D CB 1.715 42.509 40.800 -0.011 0.000 1.161 353 D HN 0.260 nan 8.370 nan 0.000 0.478 354 P HA -0.166 nan 4.420 nan 0.000 0.218 354 P C 1.270 178.563 177.300 -0.012 0.000 1.154 354 P CA 1.682 64.770 63.100 -0.019 0.000 0.872 354 P CB 0.039 31.729 31.700 -0.016 0.000 0.790 355 G N -0.058 108.738 108.800 -0.007 0.000 2.418 355 G HA2 -0.248 3.714 3.960 0.003 0.000 0.217 355 G HA3 -0.248 3.714 3.960 0.003 0.000 0.217 355 G C 1.433 176.334 174.900 0.001 0.000 1.158 355 G CA 0.322 45.421 45.100 -0.002 0.000 0.771 355 G HN 0.246 nan 8.290 nan 0.000 0.545 356 L N 0.883 122.106 121.223 0.000 0.000 2.156 356 L HA 0.122 4.464 4.340 0.003 0.000 0.208 356 L C 2.901 179.774 176.870 0.005 0.000 1.095 356 L CA 1.976 56.819 54.840 0.006 0.000 0.770 356 L CB -0.867 41.197 42.059 0.008 0.000 0.914 356 L HN 0.303 nan 8.230 nan 0.000 0.439 357 A N 0.234 123.050 122.820 -0.007 0.000 1.898 357 A HA -0.194 4.128 4.320 0.003 0.000 0.216 357 A C 2.297 179.882 177.584 0.001 0.000 1.181 357 A CA 1.217 53.243 52.037 -0.018 0.000 0.620 357 A CB -0.453 18.522 19.000 -0.042 0.000 0.819 357 A HN 0.430 nan 8.150 nan 0.000 0.442 358 R N -0.606 119.896 120.500 0.003 0.000 2.115 358 R HA -0.036 4.306 4.340 0.003 0.000 0.230 358 R C 2.365 178.677 176.300 0.020 0.000 1.111 358 R CA 1.061 57.168 56.100 0.012 0.000 0.976 358 R CB -0.342 29.962 30.300 0.007 0.000 0.870 358 R HN 0.523 nan 8.270 nan 0.000 0.445 359 A N 0.971 123.801 122.820 0.018 0.000 1.930 359 A HA -0.043 4.279 4.320 0.003 0.000 0.215 359 A C 2.115 179.718 177.584 0.031 0.000 1.176 359 A CA 0.738 52.787 52.037 0.021 0.000 0.632 359 A CB -0.324 18.686 19.000 0.016 0.000 0.819 359 A HN 0.148 nan 8.150 nan 0.000 0.445 360 L N -0.503 120.744 121.223 0.039 0.000 2.046 360 L HA -0.229 4.113 4.340 0.003 0.000 0.208 360 L C 2.901 179.817 176.870 0.078 0.000 1.077 360 L CA 1.681 56.558 54.840 0.060 0.000 0.747 360 L CB -0.496 41.609 42.059 0.078 0.000 0.896 360 L HN 0.742 nan 8.230 nan 0.000 0.432 361 C N -2.275 117.074 119.300 0.083 0.000 2.485 361 C HA -0.022 4.440 4.460 0.003 0.000 0.278 361 C C 3.041 178.063 174.990 0.053 0.000 1.356 361 C CA 0.708 59.780 59.018 0.091 0.000 1.747 361 C CB -0.162 27.643 27.740 0.108 0.000 2.001 361 C HN 0.479 nan 8.230 nan 0.000 0.501 362 S N -0.024 115.700 115.700 0.039 0.000 2.478 362 S HA 0.283 4.755 4.470 0.003 0.000 0.222 362 S C 1.149 175.762 174.600 0.021 0.000 1.008 362 S CA 0.776 58.992 58.200 0.026 0.000 0.928 362 S CB -0.610 62.603 63.200 0.020 0.000 0.781 362 S HN 0.861 nan 8.310 nan 0.000 0.518 363 G N 1.370 110.185 108.800 0.024 0.000 2.606 363 G HA2 0.428 4.390 3.960 0.003 0.000 0.252 363 G HA3 0.428 4.390 3.960 0.003 0.000 0.252 363 G C -0.024 174.885 174.900 0.016 0.000 1.206 363 G CA -0.041 45.070 45.100 0.019 0.000 0.861 363 G HN 0.519 nan 8.290 nan 0.000 0.561 364 S N 1.214 116.921 115.700 0.011 0.000 2.669 364 S HA 0.378 4.850 4.470 0.003 0.000 0.270 364 S C -1.573 173.031 174.600 0.007 0.000 1.225 364 S CA -0.989 57.216 58.200 0.007 0.000 0.991 364 S CB 1.907 65.110 63.200 0.005 0.000 0.987 364 S HN 0.249 nan 8.310 nan 0.000 0.552 365 P HA -0.197 nan 4.420 nan 0.000 0.217 365 P C 1.640 178.942 177.300 0.004 0.000 1.162 365 P CA 2.405 65.505 63.100 -0.000 0.000 0.901 365 P CB -0.293 31.405 31.700 -0.004 0.000 0.793 366 A N -0.337 122.486 122.820 0.006 0.000 1.902 366 A HA -0.254 4.068 4.320 0.003 0.000 0.217 366 A C 2.091 179.681 177.584 0.011 0.000 1.181 366 A CA 1.862 53.904 52.037 0.009 0.000 0.623 366 A CB -1.183 17.821 19.000 0.008 0.000 0.818 366 A HN 0.251 nan 8.150 nan 0.000 0.443 367 E N -0.528 119.678 120.200 0.010 0.000 2.106 367 E HA -0.175 4.177 4.350 0.003 0.000 0.192 367 E C 2.284 178.893 176.600 0.015 0.000 0.984 367 E CA 1.075 57.483 56.400 0.012 0.000 0.806 367 E CB -0.170 29.537 29.700 0.012 0.000 0.750 367 E HN 0.554 nan 8.360 nan 0.000 0.458 368 R N 0.686 121.195 120.500 0.015 0.000 2.075 368 R HA -0.075 4.267 4.340 0.003 0.000 0.232 368 R C 2.434 178.743 176.300 0.015 0.000 1.126 368 R CA 1.254 57.366 56.100 0.019 0.000 0.963 368 R CB -0.199 30.113 30.300 0.020 0.000 0.858 368 R HN -0.003 nan 8.270 nan 0.000 0.435 369 R N 0.809 121.315 120.500 0.010 0.000 2.127 369 R HA -0.201 4.141 4.340 0.003 0.000 0.238 369 R C 2.202 178.512 176.300 0.017 0.000 1.134 369 R CA 1.780 57.885 56.100 0.010 0.000 0.975 369 R CB -0.045 30.264 30.300 0.014 0.000 0.865 369 R HN 0.268 nan 8.270 nan 0.000 0.447 370 Q N -0.072 119.738 119.800 0.017 0.000 2.187 370 Q HA -0.044 4.298 4.340 0.003 0.000 0.199 370 Q C 1.748 177.758 176.000 0.017 0.000 0.957 370 Q CA 0.853 56.666 55.803 0.017 0.000 0.857 370 Q CB 0.174 28.921 28.738 0.015 0.000 0.929 370 Q HN 0.422 nan 8.270 nan 0.000 0.453 371 L N 0.597 121.830 121.223 0.017 0.000 2.478 371 L HA 0.110 4.452 4.340 0.003 0.000 0.223 371 L C 0.497 177.378 176.870 0.019 0.000 1.140 371 L CA 0.120 54.971 54.840 0.018 0.000 0.842 371 L CB 0.134 42.205 42.059 0.020 0.000 0.953 371 L HN 0.153 nan 8.230 nan 0.000 0.452 372 L N -0.697 120.536 121.223 0.018 0.000 2.334 372 L HA 0.437 4.779 4.340 0.003 0.000 0.270 372 L C -2.157 174.723 176.870 0.016 0.000 1.018 372 L CA -2.209 52.641 54.840 0.017 0.000 0.811 372 L CB 1.051 43.118 42.059 0.013 0.000 1.271 372 L HN -0.291 nan 8.230 nan 0.000 0.443 373 P HA 0.070 nan 4.420 nan 0.000 0.265 373 P C -1.127 176.188 177.300 0.026 0.000 1.187 373 P CA 0.303 63.415 63.100 0.020 0.000 0.766 373 P CB 0.408 32.118 31.700 0.018 0.000 0.820 374 R N 1.875 122.397 120.500 0.037 0.000 2.621 374 R HA 0.674 5.016 4.340 0.003 0.000 0.292 374 R C -0.304 176.040 176.300 0.072 0.000 0.969 374 R CA -0.979 55.159 56.100 0.064 0.000 0.887 374 R CB 2.083 32.421 30.300 0.063 0.000 1.180 374 R HN 0.475 nan 8.270 nan 0.000 0.450 375 A N 1.749 124.640 122.820 0.120 0.000 2.386 375 A HA 0.090 4.412 4.320 0.003 0.000 0.246 375 A C 1.075 178.686 177.584 0.046 0.000 1.089 375 A CA 0.006 52.096 52.037 0.089 0.000 0.790 375 A CB 0.421 19.503 19.000 0.135 0.000 1.042 375 A HN 0.937 nan 8.150 nan 0.000 0.497 376 R N -0.803 119.709 120.500 0.019 0.000 2.093 376 R HA -0.016 4.326 4.340 0.003 0.000 0.224 376 R C -0.073 176.214 176.300 -0.023 0.000 1.101 376 R CA 1.457 57.557 56.100 0.000 0.000 0.979 376 R CB 0.125 30.425 30.300 -0.000 0.000 0.877 376 R HN 0.793 nan 8.270 nan 0.000 0.441 377 E N -0.038 120.140 120.200 -0.037 0.000 2.266 377 E HA 0.202 4.554 4.350 0.003 0.000 0.268 377 E C -1.831 174.688 176.600 -0.136 0.000 0.879 377 E CA -0.639 55.718 56.400 -0.070 0.000 0.762 377 E CB 1.802 31.471 29.700 -0.052 0.000 1.199 377 E HN -0.101 nan 8.360 nan 0.000 0.422 378 Q N 1.762 121.455 119.800 -0.178 0.000 2.333 378 Q HA 0.394 4.736 4.340 0.003 0.000 0.265 378 Q C -1.320 174.570 176.000 -0.183 0.000 0.989 378 Q CA -0.320 55.315 55.803 -0.280 0.000 0.842 378 Q CB 1.781 30.323 28.738 -0.326 0.000 1.262 378 Q HN 0.461 nan 8.270 nan 0.000 0.451 379 E N 2.337 122.434 120.200 -0.173 0.000 2.182 379 E HA 0.226 4.578 4.350 0.003 0.000 0.258 379 E C -0.981 175.528 176.600 -0.153 0.000 0.879 379 E CA -0.336 55.987 56.400 -0.129 0.000 0.754 379 E CB 0.862 30.505 29.700 -0.096 0.000 1.162 379 E HN 0.489 nan 8.360 nan 0.000 0.419 380 E N 4.184 124.298 120.200 -0.143 0.000 2.283 380 E HA 0.266 4.618 4.350 0.003 0.000 0.278 380 E C -0.373 176.118 176.600 -0.183 0.000 1.027 380 E CA -0.464 55.831 56.400 -0.176 0.000 0.843 380 E CB 1.537 31.159 29.700 -0.131 0.000 1.062 380 E HN 0.463 nan 8.360 nan 0.000 0.401 381 L N 3.946 124.973 121.223 -0.325 0.000 2.307 381 L HA 0.401 4.743 4.340 0.003 0.000 0.282 381 L C -0.233 176.554 176.870 -0.137 0.000 1.051 381 L CA -0.612 54.062 54.840 -0.277 0.000 0.804 381 L CB 0.559 42.299 42.059 -0.532 0.000 1.197 381 L HN 0.338 nan 8.230 nan 0.000 0.431 382 L N 2.486 123.789 121.223 0.134 0.000 2.334 382 L HA 0.594 4.936 4.340 0.003 0.000 0.275 382 L C 0.497 177.603 176.870 0.394 0.000 1.036 382 L CA -0.753 54.232 54.840 0.242 0.000 0.807 382 L CB 1.701 43.831 42.059 0.118 0.000 1.231 382 L HN 0.665 nan 8.230 nan 0.000 0.438 383 A N 3.657 126.680 122.820 0.339 0.000 2.511 383 A HA 0.256 4.578 4.320 0.003 0.000 0.242 383 A C -1.487 176.135 177.584 0.062 0.000 1.069 383 A CA -0.815 51.294 52.037 0.120 0.000 0.763 383 A CB -0.196 18.831 19.000 0.044 0.000 1.001 383 A HN 0.649 nan 8.150 nan 0.000 0.498 384 P HA 0.227 nan 4.420 nan 0.000 0.245 384 P C 0.161 177.456 177.300 -0.007 0.000 1.212 384 P CA 1.447 64.552 63.100 0.007 0.000 0.774 384 P CB 0.187 31.881 31.700 -0.011 0.000 0.999 385 A N -0.881 121.927 122.820 -0.020 0.000 2.483 385 A HA 0.469 4.791 4.320 0.003 0.000 0.294 385 A C -1.691 175.880 177.584 -0.021 0.000 1.077 385 A CA -0.653 51.373 52.037 -0.018 0.000 0.633 385 A CB 0.017 19.002 19.000 -0.025 0.000 1.318 385 A HN -0.174 nan 8.150 nan 0.000 0.455 386 D N -0.435 119.956 120.400 -0.015 0.000 2.313 386 D HA 0.659 5.301 4.640 0.003 0.000 0.247 386 D C 0.595 176.883 176.300 -0.020 0.000 1.094 386 D CA 1.567 55.559 54.000 -0.014 0.000 0.925 386 D CB 1.486 42.282 40.800 -0.007 0.000 1.188 386 D HN 1.465 nan 8.370 nan 0.000 0.430 387 G N -0.283 108.505 108.800 -0.020 0.000 2.362 387 G HA2 0.207 4.169 3.960 0.003 0.000 0.288 387 G HA3 0.207 4.169 3.960 0.003 0.000 0.288 387 G C -1.186 173.702 174.900 -0.021 0.000 1.305 387 G CA -0.801 44.289 45.100 -0.018 0.000 0.910 387 G HN 0.407 nan 8.290 nan 0.000 0.518 388 T N 0.235 114.786 114.554 -0.004 0.000 2.829 388 T HA 0.515 4.867 4.350 0.003 0.000 0.282 388 T C 0.333 175.027 174.700 -0.010 0.000 0.990 388 T CA -0.355 61.743 62.100 -0.002 0.000 1.028 388 T CB 1.856 70.773 68.868 0.082 0.000 0.951 388 T HN 0.774 nan 8.240 nan 0.000 0.460 389 V N 3.708 123.586 119.914 -0.060 0.000 2.364 389 V HA 0.059 4.181 4.120 0.003 0.000 0.252 389 V C 1.605 177.722 176.094 0.038 0.000 1.075 389 V CA 0.261 62.526 62.300 -0.060 0.000 1.033 389 V CB -0.108 31.667 31.823 -0.081 0.000 1.116 389 V HN 0.968 nan 8.190 nan 0.000 0.488 390 E N 4.295 124.555 120.200 0.100 0.000 2.107 390 E HA 0.017 4.369 4.350 0.003 0.000 0.191 390 E C 0.377 177.079 176.600 0.170 0.000 0.982 390 E CA 0.686 57.220 56.400 0.222 0.000 0.809 390 E CB 0.366 30.125 29.700 0.099 0.000 0.756 390 E HN 0.535 nan 8.360 nan 0.000 0.459 391 L N -1.270 119.987 121.223 0.057 0.000 2.866 391 L HA 0.321 4.663 4.340 0.003 0.000 0.262 391 L C -2.035 174.826 176.870 -0.016 0.000 0.986 391 L CA -0.764 54.097 54.840 0.035 0.000 0.925 391 L CB 2.084 44.159 42.059 0.027 0.000 1.484 391 L HN -0.250 nan 8.230 nan 0.000 0.414 392 V N 3.900 123.820 119.914 0.010 0.000 2.357 392 V HA 0.512 4.634 4.120 0.003 0.000 0.281 392 V C -0.219 175.900 176.094 0.042 0.000 1.015 392 V CA -0.733 61.583 62.300 0.026 0.000 0.827 392 V CB 1.129 33.017 31.823 0.110 0.000 1.018 392 V HN 0.633 nan 8.190 nan 0.000 0.432 393 R N 3.033 123.547 120.500 0.023 0.000 2.549 393 R HA 0.050 4.392 4.340 0.003 0.000 0.336 393 R C 1.370 177.691 176.300 0.035 0.000 0.891 393 R CA 0.559 56.670 56.100 0.019 0.000 1.102 393 R CB 0.254 30.559 30.300 0.008 0.000 0.899 393 R HN 0.844 nan 8.270 nan 0.000 0.407 394 A N 4.093 126.925 122.820 0.020 0.000 1.968 394 A HA -0.153 4.169 4.320 0.003 0.000 0.217 394 A C 1.992 179.582 177.584 0.010 0.000 1.169 394 A CA 0.682 52.734 52.037 0.025 0.000 0.638 394 A CB -0.152 18.858 19.000 0.016 0.000 0.812 394 A HN 0.582 nan 8.150 nan 0.000 0.446 395 L N 0.459 121.662 121.223 -0.032 0.000 2.017 395 L HA -0.012 4.330 4.340 0.003 0.000 0.208 395 L C -0.806 176.014 176.870 -0.083 0.000 1.073 395 L CA 2.252 57.023 54.840 -0.116 0.000 0.745 395 L CB -1.196 40.759 42.059 -0.175 0.000 0.894 395 L HN 0.144 nan 8.230 nan 0.000 0.432 396 P HA -0.184 nan 4.420 nan 0.000 0.216 396 P C 2.180 179.496 177.300 0.028 0.000 1.153 396 P CA 1.229 64.328 63.100 -0.003 0.000 0.848 396 P CB -0.158 31.555 31.700 0.022 0.000 0.787 397 L N -0.461 120.792 121.223 0.049 0.000 2.042 397 L HA -0.181 4.161 4.340 0.003 0.000 0.210 397 L C 2.026 178.928 176.870 0.054 0.000 1.076 397 L CA 2.440 57.318 54.840 0.063 0.000 0.749 397 L CB -1.157 40.949 42.059 0.077 0.000 0.893 397 L HN -0.033 nan 8.230 nan 0.000 0.432 398 A N -0.256 122.598 122.820 0.056 0.000 1.969 398 A HA -0.140 4.182 4.320 0.003 0.000 0.218 398 A C 2.203 179.863 177.584 0.127 0.000 1.169 398 A CA 1.072 53.167 52.037 0.097 0.000 0.635 398 A CB -0.478 18.615 19.000 0.157 0.000 0.810 398 A HN 0.505 nan 8.150 nan 0.000 0.445 399 L N -0.603 120.658 121.223 0.062 0.000 2.093 399 L HA -0.137 4.205 4.340 0.003 0.000 0.208 399 L C 2.439 179.374 176.870 0.107 0.000 1.085 399 L CA 0.985 55.859 54.840 0.056 0.000 0.755 399 L CB -0.438 41.605 42.059 -0.026 0.000 0.904 399 L HN 0.250 nan 8.230 nan 0.000 0.435 400 V N -0.607 119.354 119.914 0.078 0.000 2.488 400 V HA -0.216 3.906 4.120 0.003 0.000 0.246 400 V C 2.334 178.477 176.094 0.080 0.000 1.046 400 V CA 0.888 63.231 62.300 0.072 0.000 1.053 400 V CB -0.262 31.591 31.823 0.050 0.000 0.679 400 V HN 0.316 nan 8.190 nan 0.000 0.458 401 L N -0.041 121.230 121.223 0.080 0.000 2.131 401 L HA -0.192 4.150 4.340 0.003 0.000 0.210 401 L C 2.384 179.304 176.870 0.083 0.000 1.092 401 L CA 2.283 57.160 54.840 0.062 0.000 0.759 401 L CB -1.201 40.883 42.059 0.041 0.000 0.903 401 L HN 0.510 nan 8.230 nan 0.000 0.435 402 H N 0.713 119.810 119.070 0.045 0.000 2.321 402 H HA -0.179 4.379 4.556 0.003 0.000 0.300 402 H C 1.996 177.353 175.328 0.047 0.000 1.087 402 H CA 2.118 58.199 56.048 0.056 0.000 1.319 402 H CB 0.239 30.041 29.762 0.066 0.000 1.379 402 H HN 0.499 nan 8.280 nan 0.000 0.501 403 E N 0.354 120.670 120.200 0.193 0.000 2.516 403 E HA -0.070 4.282 4.350 0.003 0.000 0.199 403 E C 1.226 177.856 176.600 0.050 0.000 1.069 403 E CA 0.482 56.957 56.400 0.124 0.000 0.876 403 E CB 0.076 29.846 29.700 0.116 0.000 0.843 403 E HN 0.538 nan 8.360 nan 0.000 0.530 404 L N 0.281 121.524 121.223 0.034 0.000 2.628 404 L HA 0.309 4.651 4.340 0.003 0.000 0.229 404 L C 1.061 177.934 176.870 0.004 0.000 1.137 404 L CA 0.314 55.166 54.840 0.020 0.000 0.909 404 L CB 0.346 42.420 42.059 0.026 0.000 1.137 404 L HN 0.398 nan 8.230 nan 0.000 0.470 405 G N -0.284 108.500 108.800 -0.026 0.000 2.138 405 G HA2 -0.231 3.731 3.960 0.003 0.000 0.193 405 G HA3 -0.231 3.731 3.960 0.003 0.000 0.193 405 G C 0.737 175.619 174.900 -0.030 0.000 0.998 405 G CA 0.185 45.261 45.100 -0.039 0.000 0.668 405 G HN 0.353 nan 8.290 nan 0.000 0.516 406 A N -0.620 122.181 122.820 -0.032 0.000 2.095 406 A HA 0.707 5.029 4.320 0.003 0.000 0.212 406 A C 1.490 179.110 177.584 0.060 0.000 1.162 406 A CA 1.848 53.932 52.037 0.078 0.000 0.753 406 A CB 0.154 19.184 19.000 0.051 0.000 0.840 406 A HN 1.834 nan 8.150 nan 0.000 0.468 407 G N -0.880 107.764 108.800 -0.260 0.000 2.730 407 G HA2 0.572 4.534 3.960 0.003 0.000 0.289 407 G HA3 0.572 4.534 3.960 0.003 0.000 0.289 407 G C -0.822 173.818 174.900 -0.433 0.000 1.341 407 G CA -0.944 43.927 45.100 -0.382 0.000 0.932 407 G HN 0.256 nan 8.290 nan 0.000 0.481 408 R N -0.533 119.884 120.500 -0.139 0.000 2.540 408 R HA 0.487 4.829 4.340 0.003 0.000 0.287 408 R C 0.405 176.791 176.300 0.143 0.000 0.980 408 R CA -0.247 55.848 56.100 -0.008 0.000 0.966 408 R CB 1.646 31.970 30.300 0.038 0.000 1.106 408 R HN 0.579 nan 8.270 nan 0.000 0.480 409 S N 0.842 116.609 115.700 0.112 0.000 2.666 409 S HA 0.179 4.651 4.470 0.003 0.000 0.239 409 S C 0.491 175.139 174.600 0.081 0.000 1.031 409 S CA -0.469 57.815 58.200 0.141 0.000 1.015 409 S CB 0.501 63.781 63.200 0.133 0.000 0.981 409 S HN 0.598 nan 8.310 nan 0.000 0.547 410 R N 0.764 121.302 120.500 0.062 0.000 2.566 410 R HA 0.650 4.992 4.340 0.003 0.000 0.271 410 R C -1.209 175.117 176.300 0.044 0.000 1.071 410 R CA -0.399 55.729 56.100 0.047 0.000 0.915 410 R CB 1.678 31.999 30.300 0.035 0.000 1.228 410 R HN 0.240 nan 8.270 nan 0.000 0.449 411 A N 1.531 124.378 122.820 0.046 0.000 2.511 411 A HA 0.428 4.750 4.320 0.003 0.000 0.242 411 A C 1.226 178.831 177.584 0.035 0.000 1.069 411 A CA 1.020 53.086 52.037 0.048 0.000 0.763 411 A CB -0.056 18.976 19.000 0.052 0.000 1.001 411 A HN 1.294 nan 8.150 nan 0.000 0.498 412 G N 0.843 109.663 108.800 0.033 0.000 2.179 412 G HA2 -0.265 3.697 3.960 0.003 0.000 0.260 412 G HA3 -0.265 3.697 3.960 0.003 0.000 0.260 412 G C 0.228 175.134 174.900 0.010 0.000 0.977 412 G CA 0.577 45.688 45.100 0.019 0.000 0.641 412 G HN 1.224 nan 8.290 nan 0.000 0.533 413 E N 1.677 121.884 120.200 0.011 0.000 2.299 413 E HA 0.403 4.755 4.350 0.003 0.000 0.272 413 E C -2.027 174.564 176.600 -0.016 0.000 1.043 413 E CA -1.701 54.699 56.400 0.000 0.000 0.895 413 E CB 0.585 30.288 29.700 0.004 0.000 1.011 413 E HN 0.201 nan 8.360 nan 0.000 0.432 414 P HA -0.003 nan 4.420 nan 0.000 0.266 414 P C -0.873 176.399 177.300 -0.048 0.000 1.195 414 P CA 0.315 63.395 63.100 -0.033 0.000 0.768 414 P CB 0.487 32.173 31.700 -0.023 0.000 0.838 415 L N 2.997 124.174 121.223 -0.075 0.000 2.344 415 L HA 0.456 4.798 4.340 0.003 0.000 0.272 415 L C 1.017 177.849 176.870 -0.064 0.000 1.035 415 L CA -0.799 53.986 54.840 -0.091 0.000 0.807 415 L CB 1.187 43.137 42.059 -0.182 0.000 1.237 415 L HN 0.203 nan 8.230 nan 0.000 0.442 416 R N 2.619 123.101 120.500 -0.030 0.000 2.891 416 R HA 0.345 4.687 4.340 0.003 0.000 0.248 416 R C -0.747 175.569 176.300 0.026 0.000 1.439 416 R CA -0.359 55.739 56.100 -0.003 0.000 1.288 416 R CB -0.088 30.217 30.300 0.009 0.000 1.212 416 R HN 0.452 nan 8.270 nan 0.000 0.605 417 L N 1.023 122.245 121.223 -0.003 0.000 2.485 417 L HA 0.056 4.398 4.340 0.003 0.000 0.275 417 L C 1.541 178.440 176.870 0.049 0.000 1.207 417 L CA 0.717 55.575 54.840 0.031 0.000 0.855 417 L CB 0.466 42.512 42.059 -0.021 0.000 1.114 417 L HN 0.883 nan 8.230 nan 0.000 0.485 418 G N 1.756 110.594 108.800 0.063 0.000 2.376 418 G HA2 -0.236 3.726 3.960 0.003 0.000 0.208 418 G HA3 -0.236 3.726 3.960 0.003 0.000 0.208 418 G C 0.087 175.015 174.900 0.047 0.000 1.032 418 G CA -0.194 44.930 45.100 0.040 0.000 0.641 418 G HN 0.387 nan 8.290 nan 0.000 0.503 419 V N 2.092 122.044 119.914 0.065 0.000 2.572 419 V HA 0.608 4.730 4.120 0.003 0.000 0.291 419 V C 1.072 177.182 176.094 0.027 0.000 1.039 419 V CA 1.516 63.856 62.300 0.068 0.000 1.055 419 V CB 0.829 32.687 31.823 0.058 0.000 0.969 419 V HN 1.596 nan 8.190 nan 0.000 0.482 420 G N 3.219 112.034 108.800 0.024 0.000 2.364 420 G HA2 0.759 4.721 3.960 0.003 0.000 0.286 420 G HA3 0.759 4.721 3.960 0.003 0.000 0.286 420 G C -1.356 173.541 174.900 -0.005 0.000 1.241 420 G CA 0.092 45.162 45.100 -0.049 0.000 0.887 420 G HN 1.231 nan 8.290 nan 0.000 0.484 421 A N -0.768 122.020 122.820 -0.052 0.000 2.594 421 A HA 0.813 5.135 4.320 0.003 0.000 0.295 421 A C -1.305 176.255 177.584 -0.041 0.000 1.071 421 A CA -0.460 51.573 52.037 -0.007 0.000 0.685 421 A CB 1.716 20.697 19.000 -0.032 0.000 1.285 421 A HN 0.563 nan 8.150 nan 0.000 0.405 422 E N 1.325 121.517 120.200 -0.013 0.000 2.199 422 E HA 0.462 4.814 4.350 0.003 0.000 0.265 422 E C -1.169 175.409 176.600 -0.036 0.000 0.882 422 E CA -0.589 55.797 56.400 -0.024 0.000 0.759 422 E CB 2.003 31.712 29.700 0.014 0.000 1.148 422 E HN 0.561 nan 8.360 nan 0.000 0.412 423 L N 4.794 126.013 121.223 -0.007 0.000 2.315 423 L HA 0.186 4.528 4.340 0.003 0.000 0.283 423 L C 0.995 177.885 176.870 0.034 0.000 1.089 423 L CA -0.088 54.775 54.840 0.038 0.000 0.833 423 L CB 0.358 42.462 42.059 0.076 0.000 1.170 423 L HN 0.594 nan 8.230 nan 0.000 0.442 424 L N 3.800 125.046 121.223 0.039 0.000 2.509 424 L HA 0.146 4.488 4.340 0.003 0.000 0.222 424 L C 0.201 177.110 176.870 0.064 0.000 1.123 424 L CA 0.256 55.117 54.840 0.035 0.000 0.856 424 L CB 0.132 42.198 42.059 0.012 0.000 0.985 424 L HN 0.355 nan 8.230 nan 0.000 0.456 425 V N -0.881 119.098 119.914 0.109 0.000 2.735 425 V HA 0.357 4.479 4.120 0.003 0.000 0.310 425 V C -0.790 175.339 176.094 0.057 0.000 1.061 425 V CA -0.974 61.377 62.300 0.085 0.000 0.913 425 V CB 2.561 34.459 31.823 0.126 0.000 1.005 425 V HN -0.050 nan 8.190 nan 0.000 0.428 426 D N 1.301 121.702 120.400 0.002 0.000 2.387 426 D HA 0.486 5.128 4.640 0.003 0.000 0.255 426 D C -0.268 175.992 176.300 -0.067 0.000 1.081 426 D CA -0.294 53.693 54.000 -0.023 0.000 0.994 426 D CB 2.128 42.901 40.800 -0.045 0.000 1.127 426 D HN 0.220 nan 8.370 nan 0.000 0.513 427 V N 0.282 120.157 119.914 -0.066 0.000 2.686 427 V HA 0.443 4.565 4.120 0.003 0.000 0.295 427 V C 1.453 177.326 176.094 -0.368 0.000 1.055 427 V CA 0.919 63.160 62.300 -0.099 0.000 1.050 427 V CB 0.756 32.605 31.823 0.043 0.000 0.984 427 V HN 0.948 nan 8.190 nan 0.000 0.482 428 G N 3.257 111.547 108.800 -0.851 0.000 2.213 428 G HA2 -0.214 3.748 3.960 0.003 0.000 0.236 428 G HA3 -0.214 3.748 3.960 0.003 0.000 0.236 428 G C 0.225 174.619 174.900 -0.844 0.000 0.991 428 G CA 0.362 44.342 45.100 -1.866 0.000 0.629 428 G HN 0.941 nan 8.290 nan 0.000 0.517 429 Q N 0.106 119.648 119.800 -0.431 0.000 2.214 429 Q HA 0.736 5.078 4.340 0.003 0.000 0.251 429 Q C 0.071 175.977 176.000 -0.157 0.000 0.936 429 Q CA -0.918 54.746 55.803 -0.232 0.000 0.894 429 Q CB 1.276 29.930 28.738 -0.140 0.000 1.252 429 Q HN 0.394 nan 8.270 nan 0.000 0.448 430 R N 2.349 122.790 120.500 -0.098 0.000 2.486 430 R HA 0.657 4.999 4.340 0.003 0.000 0.286 430 R C -0.833 175.446 176.300 -0.036 0.000 0.999 430 R CA -0.501 55.565 56.100 -0.056 0.000 0.993 430 R CB 0.855 31.134 30.300 -0.036 0.000 1.084 430 R HN 0.789 nan 8.270 nan 0.000 0.487 431 L N 0.523 121.731 121.223 -0.025 0.000 2.491 431 L HA 0.694 5.036 4.340 0.003 0.000 0.254 431 L C -1.403 175.464 176.870 -0.004 0.000 1.048 431 L CA -1.398 53.439 54.840 -0.007 0.000 0.855 431 L CB 2.136 44.200 42.059 0.007 0.000 1.466 431 L HN 0.739 nan 8.230 nan 0.000 0.409 432 R N 0.551 121.056 120.500 0.009 0.000 2.832 432 R HA 0.599 4.941 4.340 0.003 0.000 0.271 432 R C -0.799 175.512 176.300 0.018 0.000 0.996 432 R CA -1.009 55.096 56.100 0.008 0.000 0.977 432 R CB 1.509 31.814 30.300 0.009 0.000 1.168 432 R HN 0.828 nan 8.270 nan 0.000 0.482 433 R N 0.440 120.948 120.500 0.014 0.000 2.522 433 R HA 0.282 4.624 4.340 0.003 0.000 0.284 433 R C 0.352 176.673 176.300 0.034 0.000 1.032 433 R CA 0.866 56.980 56.100 0.024 0.000 1.049 433 R CB 0.250 30.559 30.300 0.015 0.000 0.956 433 R HN 0.994 nan 8.270 nan 0.000 0.422 434 G N 1.521 110.353 108.800 0.054 0.000 2.253 434 G HA2 -0.266 3.696 3.960 0.003 0.000 0.209 434 G HA3 -0.266 3.696 3.960 0.003 0.000 0.209 434 G C 0.162 175.098 174.900 0.060 0.000 0.997 434 G CA 0.111 45.241 45.100 0.050 0.000 0.640 434 G HN 0.831 nan 8.290 nan 0.000 0.496 435 T N 4.222 118.821 114.554 0.074 0.000 2.794 435 T HA 0.560 4.912 4.350 0.003 0.000 0.296 435 T C -2.302 172.479 174.700 0.136 0.000 0.949 435 T CA -1.177 60.972 62.100 0.081 0.000 1.101 435 T CB 1.402 70.312 68.868 0.070 0.000 0.905 435 T HN 0.154 nan 8.240 nan 0.000 0.516 436 P HA 0.112 nan 4.420 nan 0.000 0.271 436 P C 0.491 177.853 177.300 0.103 0.000 1.233 436 P CA -0.232 62.901 63.100 0.055 0.000 0.764 436 P CB 0.389 32.078 31.700 -0.020 0.000 0.825 437 W N 4.362 125.659 121.300 -0.006 0.000 2.975 437 W HA 0.407 5.069 4.660 0.003 0.000 0.316 437 W C -1.390 175.129 176.519 -0.001 0.000 1.131 437 W CA -0.217 57.124 57.345 -0.006 0.000 1.624 437 W CB -0.035 29.421 29.460 -0.007 0.000 1.038 437 W HN 0.107 nan 8.180 nan 0.000 0.571 438 L N 1.774 122.503 121.223 -0.824 0.000 2.482 438 L HA 0.551 4.893 4.340 0.003 0.000 0.263 438 L C -0.961 175.615 176.870 -0.490 0.000 0.957 438 L CA -1.232 53.136 54.840 -0.787 0.000 0.836 438 L CB 2.218 43.361 42.059 -1.527 0.000 1.324 438 L HN -0.008 nan 8.230 nan 0.000 0.406 439 R N 4.033 124.374 120.500 -0.266 0.000 2.388 439 R HA 0.720 5.062 4.340 0.003 0.000 0.314 439 R C -1.746 174.503 176.300 -0.085 0.000 0.959 439 R CA -0.582 55.417 56.100 -0.168 0.000 0.851 439 R CB 1.465 31.714 30.300 -0.086 0.000 1.168 439 R HN 0.545 nan 8.270 nan 0.000 0.472 440 V N 5.178 125.016 119.914 -0.126 0.000 2.406 440 V HA 0.193 4.315 4.120 0.003 0.000 0.272 440 V C 0.202 176.263 176.094 -0.055 0.000 1.043 440 V CA -0.394 61.875 62.300 -0.052 0.000 0.915 440 V CB 1.051 32.829 31.823 -0.075 0.000 0.988 440 V HN 0.728 nan 8.190 nan 0.000 0.466 441 H N 6.777 125.811 119.070 -0.060 0.000 2.705 441 H HA 0.464 5.022 4.556 0.003 0.000 0.291 441 H C 0.223 175.534 175.328 -0.029 0.000 1.085 441 H CA -0.349 55.674 56.048 -0.041 0.000 1.357 441 H CB 0.945 30.686 29.762 -0.035 0.000 1.419 441 H HN 0.689 nan 8.280 nan 0.000 0.462 442 R N 1.926 122.445 120.500 0.031 0.000 2.867 442 R HA 0.316 4.658 4.340 0.003 0.000 0.268 442 R C -0.922 175.385 176.300 0.013 0.000 1.014 442 R CA -0.806 55.308 56.100 0.022 0.000 0.946 442 R CB 1.579 31.880 30.300 0.001 0.000 1.208 442 R HN 0.285 nan 8.270 nan 0.000 0.477 443 D N 0.521 120.929 120.400 0.014 0.000 2.431 443 D HA 0.095 4.737 4.640 0.003 0.000 0.227 443 D C 1.016 177.318 176.300 0.003 0.000 1.030 443 D CA 0.798 54.804 54.000 0.009 0.000 0.897 443 D CB 0.484 41.291 40.800 0.012 0.000 1.058 443 D HN 0.669 nan 8.370 nan 0.000 0.500 444 G N 1.421 110.223 108.800 0.003 0.000 2.546 444 G HA2 0.349 4.311 3.960 0.003 0.000 0.239 444 G HA3 0.349 4.311 3.960 0.003 0.000 0.239 444 G C -2.200 172.698 174.900 -0.002 0.000 1.476 444 G CA -0.477 44.624 45.100 0.002 0.000 1.064 444 G HN -0.016 nan 8.290 nan 0.000 0.561 445 P HA 0.364 nan 4.420 nan 0.000 0.271 445 P C 0.066 177.362 177.300 -0.007 0.000 1.244 445 P CA -0.148 62.950 63.100 -0.003 0.000 0.793 445 P CB 0.222 31.922 31.700 0.001 0.000 0.984 446 A N 0.887 123.701 122.820 -0.009 0.000 2.492 446 A HA 0.122 4.444 4.320 0.003 0.000 0.236 446 A C 0.233 177.813 177.584 -0.007 0.000 1.078 446 A CA -0.243 51.786 52.037 -0.013 0.000 0.773 446 A CB -0.822 18.171 19.000 -0.013 0.000 1.023 446 A HN 0.536 nan 8.150 nan 0.000 0.504 447 L N 1.838 123.056 121.223 -0.010 0.000 2.559 447 L HA 0.061 4.403 4.340 0.003 0.000 0.282 447 L C 1.495 178.368 176.870 0.005 0.000 1.232 447 L CA 0.191 55.030 54.840 -0.002 0.000 0.885 447 L CB 0.118 42.175 42.059 -0.004 0.000 1.131 447 L HN 0.971 nan 8.230 nan 0.000 0.498 448 S N 2.471 118.177 115.700 0.010 0.000 2.598 448 S HA 0.126 4.598 4.470 0.003 0.000 0.256 448 S C 1.284 175.893 174.600 0.015 0.000 1.350 448 S CA -0.089 58.118 58.200 0.013 0.000 0.984 448 S CB 1.155 64.365 63.200 0.016 0.000 0.930 448 S HN 0.745 nan 8.310 nan 0.000 0.577 449 G N 1.302 110.112 108.800 0.015 0.000 2.505 449 G HA2 -0.030 3.932 3.960 0.003 0.000 0.214 449 G HA3 -0.030 3.932 3.960 0.003 0.000 0.214 449 G C -0.627 174.286 174.900 0.022 0.000 1.237 449 G CA 0.704 45.815 45.100 0.018 0.000 0.802 449 G HN 0.732 nan 8.290 nan 0.000 0.549 450 P HA -0.125 nan 4.420 nan 0.000 0.221 450 P C 1.520 178.836 177.300 0.027 0.000 1.145 450 P CA 1.280 64.393 63.100 0.022 0.000 0.795 450 P CB 0.021 31.732 31.700 0.018 0.000 0.775 451 Q N -0.136 119.681 119.800 0.027 0.000 2.049 451 Q HA -0.068 4.274 4.340 0.003 0.000 0.198 451 Q C 2.546 178.570 176.000 0.040 0.000 0.971 451 Q CA 1.735 57.557 55.803 0.032 0.000 0.833 451 Q CB -0.308 28.446 28.738 0.027 0.000 0.896 451 Q HN 0.217 nan 8.270 nan 0.000 0.434 452 S N 0.464 116.187 115.700 0.037 0.000 2.370 452 S HA -0.164 4.308 4.470 0.003 0.000 0.226 452 S C 1.782 176.424 174.600 0.070 0.000 1.033 452 S CA 1.173 59.404 58.200 0.050 0.000 1.011 452 S CB -0.186 63.038 63.200 0.040 0.000 0.852 452 S HN 0.286 nan 8.310 nan 0.000 0.457 453 R N 1.236 121.768 120.500 0.053 0.000 2.083 453 R HA -0.062 4.280 4.340 0.003 0.000 0.237 453 R C 2.629 178.964 176.300 0.059 0.000 1.137 453 R CA 1.361 57.492 56.100 0.051 0.000 0.951 453 R CB -0.604 29.716 30.300 0.033 0.000 0.851 453 R HN 0.418 nan 8.270 nan 0.000 0.434 454 A N 1.148 124.000 122.820 0.053 0.000 1.883 454 A HA -0.171 4.151 4.320 0.003 0.000 0.217 454 A C 2.170 179.807 177.584 0.089 0.000 1.186 454 A CA 1.332 53.401 52.037 0.053 0.000 0.624 454 A CB -0.615 18.410 19.000 0.041 0.000 0.822 454 A HN 0.187 nan 8.150 nan 0.000 0.444 455 L N -0.961 120.335 121.223 0.123 0.000 1.976 455 L HA -0.272 4.070 4.340 0.003 0.000 0.209 455 L C 2.979 180.054 176.870 0.342 0.000 1.071 455 L CA 1.852 56.824 54.840 0.220 0.000 0.746 455 L CB -0.868 41.293 42.059 0.170 0.000 0.890 455 L HN 0.493 nan 8.230 nan 0.000 0.432 456 Q N -0.172 119.801 119.800 0.289 0.000 2.112 456 Q HA -0.299 4.043 4.340 0.003 0.000 0.206 456 Q C 2.057 178.085 176.000 0.046 0.000 0.987 456 Q CA 1.893 57.834 55.803 0.230 0.000 0.858 456 Q CB -0.265 28.564 28.738 0.152 0.000 0.905 456 Q HN 0.378 nan 8.270 nan 0.000 0.420 457 E N 0.957 121.188 120.200 0.053 0.000 2.130 457 E HA -0.204 4.148 4.350 0.003 0.000 0.196 457 E C 1.720 178.311 176.600 -0.015 0.000 0.998 457 E CA 1.441 57.845 56.400 0.008 0.000 0.806 457 E CB -0.210 29.502 29.700 0.020 0.000 0.738 457 E HN 0.388 nan 8.360 nan 0.000 0.459 458 A N 0.305 123.142 122.820 0.027 0.000 2.119 458 A HA 0.001 4.323 4.320 0.003 0.000 0.217 458 A C 1.078 178.602 177.584 -0.099 0.000 1.153 458 A CA 0.278 52.327 52.037 0.020 0.000 0.692 458 A CB -0.241 18.834 19.000 0.125 0.000 0.799 458 A HN 0.319 nan 8.150 nan 0.000 0.458 459 L N 2.264 123.304 121.223 -0.304 0.000 2.334 459 L HA 0.333 4.675 4.340 0.003 0.000 0.286 459 L C -0.843 175.809 176.870 -0.364 0.000 1.108 459 L CA 0.231 54.686 54.840 -0.641 0.000 0.875 459 L CB 0.218 41.370 42.059 -1.511 0.000 1.246 459 L HN 0.032 nan 8.230 nan 0.000 0.439 460 V N 6.798 126.578 119.914 -0.223 0.000 2.432 460 V HA 0.384 4.506 4.120 0.003 0.000 0.275 460 V C 0.464 176.483 176.094 -0.125 0.000 1.043 460 V CA -0.494 61.724 62.300 -0.136 0.000 0.925 460 V CB 1.617 33.398 31.823 -0.069 0.000 0.985 460 V HN 0.578 nan 8.190 nan 0.000 0.466 461 L N 4.767 125.924 121.223 -0.108 0.000 2.362 461 L HA 0.761 5.103 4.340 0.003 0.000 0.271 461 L C 0.050 176.899 176.870 -0.035 0.000 1.002 461 L CA -0.242 54.551 54.840 -0.078 0.000 0.818 461 L CB 2.428 44.422 42.059 -0.107 0.000 1.298 461 L HN 0.800 nan 8.230 nan 0.000 0.420 462 S N -0.813 114.886 115.700 -0.001 0.000 2.632 462 S HA 0.473 4.945 4.470 0.003 0.000 0.289 462 S C -1.164 173.447 174.600 0.017 0.000 1.115 462 S CA -0.850 57.356 58.200 0.010 0.000 0.889 462 S CB 2.549 65.767 63.200 0.031 0.000 1.116 462 S HN 0.622 nan 8.310 nan 0.000 0.486 463 D N 1.130 121.538 120.400 0.014 0.000 2.458 463 D HA 0.384 5.026 4.640 0.003 0.000 0.258 463 D C -0.232 176.083 176.300 0.025 0.000 1.134 463 D CA -0.290 53.719 54.000 0.015 0.000 0.915 463 D CB 0.327 41.129 40.800 0.003 0.000 1.028 463 D HN 0.724 nan 8.370 nan 0.000 0.508 464 R N 0.185 120.713 120.500 0.047 0.000 2.846 464 R HA 0.805 5.147 4.340 0.003 0.000 0.263 464 R C -0.522 175.822 176.300 0.073 0.000 1.080 464 R CA -1.047 55.087 56.100 0.056 0.000 0.961 464 R CB 0.309 30.649 30.300 0.065 0.000 1.231 464 R HN 0.007 nan 8.270 nan 0.000 0.465 465 A N 0.883 123.748 122.820 0.075 0.000 2.429 465 A HA 0.397 4.719 4.320 0.003 0.000 0.242 465 A C -2.077 175.573 177.584 0.110 0.000 1.088 465 A CA -0.909 51.171 52.037 0.072 0.000 0.784 465 A CB -0.606 18.432 19.000 0.064 0.000 1.038 465 A HN 0.558 nan 8.150 nan 0.000 0.501 466 P HA 0.494 nan 4.420 nan 0.000 0.272 466 P C -0.708 176.636 177.300 0.074 0.000 1.240 466 P CA 0.117 63.198 63.100 -0.031 0.000 0.791 466 P CB 0.353 32.011 31.700 -0.070 0.000 0.978 467 F N -2.248 117.700 119.950 -0.003 0.000 2.715 467 F HA 0.807 5.336 4.527 0.003 0.000 0.318 467 F C -1.369 174.431 175.800 0.000 0.000 1.141 467 F CA -2.008 55.991 58.000 -0.002 0.000 0.950 467 F CB 0.560 39.558 39.000 -0.002 0.000 1.374 467 F HN 0.255 nan 8.300 nan 0.000 0.477 468 A N 1.599 124.605 122.820 0.310 0.000 2.279 468 A HA 0.727 5.049 4.320 0.003 0.000 0.306 468 A C 0.207 177.977 177.584 0.311 0.000 1.300 468 A CA -0.208 51.935 52.037 0.178 0.000 0.925 468 A CB -0.651 18.421 19.000 0.120 0.000 1.152 468 A HN 1.512 nan 8.150 nan 0.000 0.544 469 A N 4.727 127.662 122.820 0.193 0.000 2.565 469 A HA 0.459 4.781 4.320 0.003 0.000 0.237 469 A C -1.964 175.724 177.584 0.173 0.000 1.053 469 A CA -0.423 51.767 52.037 0.255 0.000 0.755 469 A CB -0.674 18.391 19.000 0.109 0.000 0.980 469 A HN 0.660 nan 8.150 nan 0.000 0.506 470 P HA 0.293 nan 4.420 nan 0.000 0.274 470 P C -0.091 177.261 177.300 0.087 0.000 1.237 470 P CA -0.301 62.861 63.100 0.103 0.000 0.793 470 P CB 0.802 32.550 31.700 0.080 0.000 0.977 471 S N 1.885 117.638 115.700 0.088 0.000 2.584 471 S HA 0.182 4.654 4.470 0.003 0.000 0.273 471 S C -1.300 173.361 174.600 0.102 0.000 1.311 471 S CA -0.807 57.448 58.200 0.092 0.000 1.034 471 S CB 0.228 63.492 63.200 0.106 0.000 0.939 471 S HN 0.371 nan 8.310 nan 0.000 0.513 472 P HA -0.075 nan 4.420 nan 0.000 0.214 472 P C 0.355 177.721 177.300 0.109 0.000 1.163 472 P CA 0.533 63.662 63.100 0.047 0.000 0.883 472 P CB -0.004 31.714 31.700 0.029 0.000 0.788 473 F N -0.387 119.586 119.950 0.038 0.000 2.635 473 F HA 0.087 4.616 4.527 0.004 0.000 0.379 473 F C 1.158 177.026 175.800 0.113 0.000 1.094 473 F CA 0.155 58.198 58.000 0.072 0.000 1.300 473 F CB 0.503 39.530 39.000 0.045 0.000 1.035 473 F HN -0.046 nan 8.300 nan 0.000 0.581 474 A N 4.437 126.863 122.820 -0.657 0.000 2.068 474 A HA 0.319 4.641 4.320 0.003 0.000 0.206 474 A C -0.148 177.010 177.584 -0.711 0.000 1.822 474 A CA 0.506 52.310 52.037 -0.388 0.000 0.899 474 A CB -0.111 18.871 19.000 -0.031 0.000 1.251 474 A HN 0.767 nan 8.150 nan 0.000 0.599 475 E N -0.997 118.722 120.200 -0.802 0.000 2.413 475 E HA 0.593 4.945 4.350 0.003 0.000 0.277 475 E C -1.807 174.617 176.600 -0.293 0.000 0.958 475 E CA -0.859 55.259 56.400 -0.470 0.000 0.779 475 E CB 1.344 30.922 29.700 -0.204 0.000 1.278 475 E HN 0.182 nan 8.360 nan 0.000 0.456 476 L N 1.817 123.053 121.223 0.023 0.000 2.295 476 L HA 0.454 4.796 4.340 0.003 0.000 0.285 476 L C -1.255 175.658 176.870 0.072 0.000 1.035 476 L CA -0.694 54.225 54.840 0.132 0.000 0.806 476 L CB 1.754 43.957 42.059 0.241 0.000 1.214 476 L HN 0.565 nan 8.230 nan 0.000 0.426 477 V N 6.448 126.408 119.914 0.076 0.000 2.384 477 V HA 0.431 4.553 4.120 0.003 0.000 0.287 477 V C 0.170 176.321 176.094 0.094 0.000 1.020 477 V CA -0.556 61.780 62.300 0.061 0.000 0.850 477 V CB 1.354 33.200 31.823 0.039 0.000 0.987 477 V HN 0.618 nan 8.190 nan 0.000 0.436 478 L N 6.782 128.064 121.223 0.098 0.000 2.387 478 L HA 0.608 4.950 4.340 0.003 0.000 0.266 478 L C -2.059 174.863 176.870 0.086 0.000 1.059 478 L CA -1.939 52.974 54.840 0.121 0.000 0.801 478 L CB 1.689 43.840 42.059 0.154 0.000 1.223 478 L HN 0.407 nan 8.230 nan 0.000 0.456 479 P HA 0.260 nan 4.420 nan 0.000 0.275 479 P C -2.575 174.756 177.300 0.051 0.000 1.227 479 P CA -1.057 62.078 63.100 0.058 0.000 0.781 479 P CB -0.025 31.706 31.700 0.051 0.000 0.906 480 P HA 0.408 nan 4.420 nan 0.000 0.272 480 P C -0.618 176.701 177.300 0.031 0.000 1.230 480 P CA 0.394 63.514 63.100 0.033 0.000 0.788 480 P CB 0.281 31.996 31.700 0.024 0.000 0.949 481 Q N 0.000 119.818 119.800 0.030 0.000 2.315 481 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 481 Q CA 0.000 nan 55.803 nan 0.000 1.022 481 Q CB 0.000 nan 28.738 nan 0.000 1.108 481 Q HN 0.000 nan 8.270 nan 0.000 0.481