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 2vgf_1_A DATA FIRST_RESID 57 DATA SEQUENCE QQQQLPAAMA DTFLEHLCLL DIDSEPVAAR STSIIATIGP ASRSVERLKE DATA SEQUENCE MIKAGMNIAR LNFSHGSHEY HAESIANVRE AVESFAGSPL SYRPVAIALD DATA SEQUENCE TKGPEIRTGI LQGGPESEVE LVKGSQVLVT VDPAFRTRGN ANTVWVDYPN DATA SEQUENCE IVRVVPVGGR IYIDDGLISL VVQKIGPEGL VTQVENGGVL GSRKGVNLPG DATA SEQUENCE AQVDLPGLSE QDVRDLRFGV EHGVDIVFAS FVRKASDVAA VRAALGPEGH DATA SEQUENCE GIKIISKIEN HEGVKRFDEI LEVSDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNLAGKP VVCATQMLES MITKPRPMRA ETSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGNFPVE AVKMQHAIAR EAEAAVYHRQ LFEELRRAAP LSRDPTEVTA DATA SEQUENCE IGAVEAAFKC CAAAIIVLTT TGRSAQLLSR YRPRAAVIAV TRSAQAARQV DATA SEQUENCE HLCRGVFPLL YREPPEAIWA DDVDRRVQFG IESGKLRGFL RVGDLVIVVT DATA SEQUENCE GWRPGSGYTN IMRVLSI 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 176.004 176.000 0.007 0.000 1.003 57 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 57 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 58 Q N 0.103 119.910 119.800 0.012 0.000 2.823 58 Q HA 0.443 4.782 4.340 -0.002 0.000 0.230 58 Q C -0.799 175.216 176.000 0.025 0.000 1.026 58 Q CA -0.704 55.108 55.803 0.014 0.000 0.940 58 Q CB 0.708 29.453 28.738 0.013 0.000 1.382 58 Q HN 0.461 nan 8.270 nan 0.000 0.502 59 Q N 0.982 120.800 119.800 0.030 0.000 2.372 59 Q HA -0.320 4.019 4.340 -0.002 0.000 0.333 59 Q C -0.797 175.242 176.000 0.065 0.000 1.285 59 Q CA 0.379 56.212 55.803 0.049 0.000 0.983 59 Q CB -1.517 27.253 28.738 0.053 0.000 1.229 59 Q HN 0.427 nan 8.270 nan 0.000 0.442 60 Q N -1.617 118.206 119.800 0.039 0.000 2.378 60 Q HA -0.261 4.078 4.340 -0.002 0.000 0.296 60 Q C 0.813 176.847 176.000 0.055 0.000 1.209 60 Q CA 1.095 56.914 55.803 0.026 0.000 0.910 60 Q CB -0.941 27.808 28.738 0.019 0.000 1.240 60 Q HN 0.495 nan 8.270 nan 0.000 0.499 61 L N 0.365 121.623 121.223 0.058 0.000 2.013 61 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 61 L C -0.345 176.564 176.870 0.065 0.000 1.073 61 L CA 2.510 57.395 54.840 0.074 0.000 0.753 61 L CB -1.853 40.240 42.059 0.056 0.000 0.890 61 L HN 0.241 nan 8.230 nan 0.000 0.432 62 P HA -0.160 nan 4.420 nan 0.000 0.216 62 P C 1.558 178.862 177.300 0.006 0.000 1.150 62 P CA 1.947 65.056 63.100 0.015 0.000 0.843 62 P CB -0.076 31.615 31.700 -0.014 0.000 0.787 63 A N 0.008 122.806 122.820 -0.036 0.000 1.930 63 A HA -0.021 4.297 4.320 -0.002 0.000 0.217 63 A C 2.321 179.989 177.584 0.140 0.000 1.175 63 A CA 1.785 53.748 52.037 -0.123 0.000 0.627 63 A CB -1.526 17.248 19.000 -0.376 0.000 0.815 63 A HN 0.190 nan 8.150 nan 0.000 0.443 64 A N -0.810 122.149 122.820 0.232 0.000 2.070 64 A HA -0.060 4.258 4.320 -0.002 0.000 0.220 64 A C 1.891 179.686 177.584 0.351 0.000 1.159 64 A CA 1.657 53.924 52.037 0.383 0.000 0.656 64 A CB -0.397 18.787 19.000 0.307 0.000 0.800 64 A HN 0.458 nan 8.150 nan 0.000 0.453 65 M N -0.430 119.308 119.600 0.229 0.000 2.431 65 M HA 0.282 4.761 4.480 -0.002 0.000 0.237 65 M C 0.872 177.286 176.300 0.191 0.000 1.130 65 M CA 0.057 55.468 55.300 0.187 0.000 1.002 65 M CB -1.002 31.667 32.600 0.114 0.000 1.524 65 M HN 0.355 nan 8.290 nan 0.000 0.482 66 A N 1.030 123.981 122.820 0.219 0.000 2.425 66 A HA 0.098 4.417 4.320 -0.002 0.000 0.242 66 A C 0.767 178.506 177.584 0.259 0.000 1.077 66 A CA -0.015 52.113 52.037 0.151 0.000 0.781 66 A CB 0.341 19.351 19.000 0.016 0.000 1.020 66 A HN 0.298 nan 8.150 nan 0.000 0.494 67 D N -0.357 120.147 120.400 0.173 0.000 2.340 67 D HA 0.082 4.720 4.640 -0.002 0.000 0.220 67 D C 0.592 177.029 176.300 0.229 0.000 1.039 67 D CA 1.541 55.653 54.000 0.187 0.000 0.866 67 D CB 0.209 41.073 40.800 0.107 0.000 0.913 67 D HN 0.778 nan 8.370 nan 0.000 0.523 68 T N -4.257 110.431 114.554 0.224 0.000 2.769 68 T HA 0.191 4.539 4.350 -0.002 0.000 0.306 68 T C 0.353 175.109 174.700 0.094 0.000 1.400 68 T CA -0.820 61.421 62.100 0.235 0.000 1.007 68 T CB 0.616 69.570 68.868 0.144 0.000 1.392 68 T HN -0.151 nan 8.240 nan 0.000 0.500 69 F N 0.627 120.587 119.950 0.016 0.000 2.206 69 F HA 0.110 4.636 4.527 -0.002 0.000 0.298 69 F C 1.853 177.597 175.800 -0.094 0.000 1.090 69 F CA 1.045 58.949 58.000 -0.160 0.000 1.323 69 F CB -0.062 38.946 39.000 0.013 0.000 1.028 69 F HN 0.529 nan 8.300 nan 0.000 0.492 70 L N 0.964 122.205 121.223 0.029 0.000 1.961 70 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 70 L C 2.316 179.096 176.870 -0.151 0.000 1.072 70 L CA 2.117 56.921 54.840 -0.061 0.000 0.749 70 L CB -1.287 40.784 42.059 0.021 0.000 0.889 70 L HN 0.234 nan 8.230 nan 0.000 0.432 71 E N -1.103 119.040 120.200 -0.094 0.000 2.132 71 E HA -0.446 3.903 4.350 -0.002 0.000 0.218 71 E C 2.198 178.680 176.600 -0.198 0.000 1.058 71 E CA 2.098 58.434 56.400 -0.107 0.000 0.882 71 E CB -0.388 29.284 29.700 -0.046 0.000 0.774 71 E HN 0.777 nan 8.360 nan 0.000 0.467 72 H N 0.034 118.853 119.070 -0.418 0.000 2.394 72 H HA -0.143 4.412 4.556 -0.002 0.000 0.297 72 H C 2.099 177.156 175.328 -0.451 0.000 1.113 72 H CA 1.963 57.688 56.048 -0.538 0.000 1.277 72 H CB -0.183 28.934 29.762 -1.075 0.000 1.370 72 H HN 0.143 nan 8.280 nan 0.000 0.506 73 L N -0.851 120.082 121.223 -0.483 0.000 2.044 73 L HA -0.175 4.164 4.340 -0.002 0.000 0.205 73 L C 2.676 179.353 176.870 -0.322 0.000 1.075 73 L CA 1.031 55.600 54.840 -0.451 0.000 0.747 73 L CB -0.575 41.242 42.059 -0.404 0.000 0.903 73 L HN 0.468 nan 8.230 nan 0.000 0.435 74 C N 0.154 119.309 119.300 -0.242 0.000 2.398 74 C HA -0.181 4.278 4.460 -0.002 0.000 0.282 74 C C 2.243 177.129 174.990 -0.172 0.000 1.275 74 C CA 0.726 59.641 59.018 -0.171 0.000 1.797 74 C CB -0.984 26.679 27.740 -0.127 0.000 1.991 74 C HN 0.406 nan 8.230 nan 0.000 0.505 75 L N -0.258 120.827 121.223 -0.229 0.000 2.741 75 L HA 0.260 4.598 4.340 -0.002 0.000 0.237 75 L C 0.256 176.996 176.870 -0.216 0.000 1.178 75 L CA -0.082 54.643 54.840 -0.191 0.000 0.973 75 L CB -0.323 41.638 42.059 -0.164 0.000 1.255 75 L HN 0.264 nan 8.230 nan 0.000 0.498 76 L N 1.413 122.484 121.223 -0.253 0.000 2.418 76 L HA 0.119 4.457 4.340 -0.002 0.000 0.274 76 L C -0.198 176.595 176.870 -0.128 0.000 1.135 76 L CA 0.292 55.003 54.840 -0.215 0.000 0.870 76 L CB 0.502 42.428 42.059 -0.223 0.000 1.154 76 L HN 0.050 nan 8.230 nan 0.000 0.462 77 D N 3.759 124.102 120.400 -0.095 0.000 2.425 77 D HA 0.187 4.825 4.640 -0.002 0.000 0.240 77 D C 0.900 177.172 176.300 -0.046 0.000 1.080 77 D CA -0.560 53.402 54.000 -0.063 0.000 0.836 77 D CB 1.518 42.287 40.800 -0.052 0.000 1.125 77 D HN 0.485 nan 8.370 nan 0.000 0.525 78 I N 0.296 120.841 120.570 -0.041 0.000 2.614 78 I HA -0.027 4.142 4.170 -0.002 0.000 0.258 78 I C 0.225 176.329 176.117 -0.022 0.000 1.189 78 I CA 0.909 62.191 61.300 -0.030 0.000 1.462 78 I CB 0.215 38.197 38.000 -0.029 0.000 1.092 78 I HN 0.058 nan 8.210 nan 0.000 0.442 79 D N 1.363 121.750 120.400 -0.021 0.000 2.328 79 D HA 0.056 4.695 4.640 -0.002 0.000 0.221 79 D C 0.691 176.984 176.300 -0.012 0.000 1.072 79 D CA 0.344 54.335 54.000 -0.015 0.000 0.850 79 D CB 0.433 41.224 40.800 -0.014 0.000 0.922 79 D HN 0.269 nan 8.370 nan 0.000 0.516 80 S N 1.624 117.316 115.700 -0.013 0.000 2.473 80 S HA 0.070 4.538 4.470 -0.002 0.000 0.312 80 S C 0.180 174.780 174.600 -0.001 0.000 1.087 80 S CA -0.624 57.572 58.200 -0.007 0.000 1.077 80 S CB 0.284 63.478 63.200 -0.010 0.000 1.065 80 S HN -0.123 nan 8.310 nan 0.000 0.510 81 E N 4.896 125.098 120.200 0.002 0.000 2.413 81 E HA 0.238 4.586 4.350 -0.002 0.000 0.263 81 E C -2.208 174.399 176.600 0.012 0.000 1.015 81 E CA -2.155 54.249 56.400 0.006 0.000 0.916 81 E CB -0.001 29.704 29.700 0.008 0.000 0.947 81 E HN 0.459 nan 8.360 nan 0.000 0.440 82 P HA 0.076 nan 4.420 nan 0.000 0.270 82 P C -0.441 176.872 177.300 0.023 0.000 1.223 82 P CA -0.141 62.971 63.100 0.020 0.000 0.785 82 P CB 0.625 32.331 31.700 0.009 0.000 0.923 83 V N 1.183 121.114 119.914 0.027 0.000 3.020 83 V HA 0.590 4.708 4.120 -0.002 0.000 0.275 83 V C -1.003 175.108 176.094 0.028 0.000 0.868 83 V CA 0.145 62.461 62.300 0.027 0.000 1.087 83 V CB 0.339 32.173 31.823 0.019 0.000 0.954 83 V HN 0.824 nan 8.190 nan 0.000 0.495 84 A N 2.684 125.529 122.820 0.041 0.000 2.581 84 A HA 0.771 5.090 4.320 -0.002 0.000 0.309 84 A C -0.246 177.374 177.584 0.059 0.000 1.022 84 A CA 0.092 52.148 52.037 0.031 0.000 0.833 84 A CB 0.473 19.487 19.000 0.023 0.000 1.208 84 A HN 1.787 nan 8.150 nan 0.000 0.388 85 A N 2.188 125.023 122.820 0.026 0.000 2.565 85 A HA 0.488 4.807 4.320 -0.002 0.000 0.237 85 A C 0.834 178.558 177.584 0.232 0.000 1.053 85 A CA 0.830 52.920 52.037 0.088 0.000 0.755 85 A CB -0.124 18.630 19.000 -0.411 0.000 0.980 85 A HN 1.624 nan 8.150 nan 0.000 0.506 86 R N 1.794 122.461 120.500 0.278 0.000 2.543 86 R HA 0.360 4.698 4.340 -0.002 0.000 0.277 86 R C 0.641 177.129 176.300 0.313 0.000 1.074 86 R CA 0.256 56.479 56.100 0.206 0.000 1.076 86 R CB 0.389 30.719 30.300 0.050 0.000 0.993 86 R HN 0.597 nan 8.270 nan 0.000 0.459 87 S N 0.947 116.750 115.700 0.173 0.000 2.468 87 S HA -0.020 4.449 4.470 -0.002 0.000 0.226 87 S C 0.400 174.975 174.600 -0.042 0.000 1.051 87 S CA -0.109 58.104 58.200 0.022 0.000 0.943 87 S CB -0.020 63.199 63.200 0.030 0.000 0.810 87 S HN 0.670 nan 8.310 nan 0.000 0.509 88 T N 4.169 118.732 114.554 0.015 0.000 2.792 88 T HA 0.243 4.592 4.350 -0.002 0.000 0.286 88 T C 0.103 174.811 174.700 0.014 0.000 0.970 88 T CA 0.118 62.224 62.100 0.010 0.000 1.187 88 T CB 0.128 69.008 68.868 0.019 0.000 0.915 88 T HN 0.309 nan 8.240 nan 0.000 0.529 89 S N 3.227 118.927 115.700 -0.001 0.000 2.617 89 S HA 0.509 4.978 4.470 -0.002 0.000 0.269 89 S C 0.271 174.872 174.600 0.001 0.000 1.292 89 S CA -0.795 57.398 58.200 -0.012 0.000 1.010 89 S CB 0.718 63.912 63.200 -0.010 0.000 0.944 89 S HN 0.537 nan 8.310 nan 0.000 0.536 90 I N 1.759 122.321 120.570 -0.013 0.000 2.433 90 I HA 0.418 4.587 4.170 -0.002 0.000 0.292 90 I C -0.690 175.433 176.117 0.011 0.000 1.001 90 I CA -0.354 60.951 61.300 0.009 0.000 1.119 90 I CB 1.222 39.235 38.000 0.021 0.000 1.289 90 I HN 0.422 nan 8.210 nan 0.000 0.438 91 I N 5.732 126.325 120.570 0.039 0.000 2.362 91 I HA 0.564 4.733 4.170 -0.002 0.000 0.289 91 I C 0.017 176.175 176.117 0.067 0.000 0.994 91 I CA -0.504 60.842 61.300 0.076 0.000 1.158 91 I CB 1.680 39.751 38.000 0.119 0.000 1.315 91 I HN 0.560 nan 8.210 nan 0.000 0.451 92 A N 4.648 127.510 122.820 0.070 0.000 2.318 92 A HA 0.701 5.020 4.320 -0.002 0.000 0.324 92 A C -0.110 177.527 177.584 0.089 0.000 1.170 92 A CA -0.452 51.624 52.037 0.066 0.000 0.810 92 A CB 0.985 20.015 19.000 0.050 0.000 1.198 92 A HN 0.649 nan 8.150 nan 0.000 0.484 93 T N 3.435 118.043 114.554 0.090 0.000 2.817 93 T HA 0.383 4.732 4.350 -0.002 0.000 0.293 93 T C 0.160 174.921 174.700 0.101 0.000 0.964 93 T CA -0.093 62.073 62.100 0.111 0.000 1.085 93 T CB 0.309 69.244 68.868 0.111 0.000 0.921 93 T HN 0.382 nan 8.240 nan 0.000 0.502 94 I N 3.554 124.195 120.570 0.119 0.000 2.325 94 I HA 0.546 4.715 4.170 -0.002 0.000 0.291 94 I C 0.916 177.107 176.117 0.122 0.000 1.019 94 I CA 0.018 61.379 61.300 0.101 0.000 1.302 94 I CB 0.388 38.444 38.000 0.093 0.000 1.401 94 I HN 0.823 nan 8.210 nan 0.000 0.485 95 G N 6.999 115.854 108.800 0.091 0.000 2.911 95 G HA2 0.510 4.469 3.960 -0.002 0.000 0.299 95 G HA3 0.510 4.469 3.960 -0.002 0.000 0.299 95 G C -2.479 172.466 174.900 0.075 0.000 1.283 95 G CA -0.497 44.669 45.100 0.111 0.000 0.805 95 G HN 0.262 nan 8.290 nan 0.000 0.548 96 P HA -0.108 nan 4.420 nan 0.000 0.216 96 P C 1.993 179.303 177.300 0.017 0.000 1.154 96 P CA 2.533 65.662 63.100 0.047 0.000 0.865 96 P CB 0.089 31.806 31.700 0.029 0.000 0.789 97 A N -0.703 122.124 122.820 0.011 0.000 2.121 97 A HA -0.042 4.277 4.320 -0.002 0.000 0.218 97 A C 1.583 179.169 177.584 0.003 0.000 1.154 97 A CA 1.687 53.722 52.037 -0.003 0.000 0.679 97 A CB -0.880 18.115 19.000 -0.009 0.000 0.795 97 A HN 0.333 nan 8.150 nan 0.000 0.458 98 S N -2.506 113.202 115.700 0.015 0.000 2.794 98 S HA 0.453 4.922 4.470 -0.002 0.000 0.244 98 S C 0.492 175.100 174.600 0.013 0.000 1.045 98 S CA -0.411 57.801 58.200 0.019 0.000 1.114 98 S CB 0.173 63.392 63.200 0.032 0.000 1.085 98 S HN 0.456 nan 8.310 nan 0.000 0.488 99 R N 1.153 121.652 120.500 -0.002 0.000 2.310 99 R HA 0.252 4.591 4.340 -0.002 0.000 0.199 99 R C 0.685 176.972 176.300 -0.021 0.000 0.891 99 R CA 0.705 56.790 56.100 -0.025 0.000 1.060 99 R CB 0.437 30.704 30.300 -0.055 0.000 1.188 99 R HN 0.530 nan 8.270 nan 0.000 0.607 100 S N 0.440 116.134 115.700 -0.011 0.000 2.525 100 S HA -0.011 4.458 4.470 -0.002 0.000 0.285 100 S C 1.616 176.217 174.600 0.002 0.000 1.283 100 S CA -0.458 57.737 58.200 -0.008 0.000 1.072 100 S CB 1.274 64.470 63.200 -0.006 0.000 0.867 100 S HN 0.031 nan 8.310 nan 0.000 0.492 101 V N 3.797 123.712 119.914 0.001 0.000 2.277 101 V HA -0.212 3.907 4.120 -0.002 0.000 0.255 101 V C 2.760 178.863 176.094 0.014 0.000 1.074 101 V CA 2.451 64.757 62.300 0.009 0.000 1.058 101 V CB -0.920 30.904 31.823 0.001 0.000 0.656 101 V HN 0.859 nan 8.190 nan 0.000 0.449 102 E N -0.411 119.793 120.200 0.005 0.000 2.072 102 E HA -0.194 4.154 4.350 -0.002 0.000 0.191 102 E C 2.299 178.911 176.600 0.021 0.000 0.985 102 E CA 1.255 57.659 56.400 0.007 0.000 0.801 102 E CB -0.368 29.331 29.700 -0.002 0.000 0.750 102 E HN 0.547 nan 8.360 nan 0.000 0.452 103 R N 0.374 120.884 120.500 0.017 0.000 2.103 103 R HA -0.137 4.202 4.340 -0.002 0.000 0.242 103 R C 2.200 178.522 176.300 0.037 0.000 1.142 103 R CA 0.959 57.073 56.100 0.022 0.000 0.960 103 R CB -0.287 30.020 30.300 0.013 0.000 0.858 103 R HN 0.074 nan 8.270 nan 0.000 0.439 104 L N 1.062 122.309 121.223 0.040 0.000 2.083 104 L HA -0.140 4.198 4.340 -0.002 0.000 0.209 104 L C 1.941 178.868 176.870 0.096 0.000 1.083 104 L CA 1.796 56.671 54.840 0.058 0.000 0.752 104 L CB -0.864 41.228 42.059 0.056 0.000 0.899 104 L HN 0.226 nan 8.230 nan 0.000 0.433 105 K N -0.374 120.094 120.400 0.114 0.000 2.026 105 K HA -0.185 4.133 4.320 -0.002 0.000 0.208 105 K C 1.928 178.645 176.600 0.196 0.000 1.048 105 K CA 1.382 57.796 56.287 0.212 0.000 0.929 105 K CB -0.107 32.460 32.500 0.111 0.000 0.713 105 K HN 0.385 nan 8.250 nan 0.000 0.439 106 E N 0.562 120.827 120.200 0.108 0.000 2.097 106 E HA -0.208 4.140 4.350 -0.002 0.000 0.196 106 E C 2.021 178.653 176.600 0.052 0.000 1.000 106 E CA 1.468 57.913 56.400 0.076 0.000 0.804 106 E CB -0.107 29.624 29.700 0.051 0.000 0.740 106 E HN 0.308 nan 8.360 nan 0.000 0.454 107 M N 0.136 119.764 119.600 0.046 0.000 2.229 107 M HA -0.100 4.378 4.480 -0.002 0.000 0.264 107 M C 2.188 178.484 176.300 -0.006 0.000 1.063 107 M CA 1.030 56.344 55.300 0.023 0.000 1.114 107 M CB -0.053 32.564 32.600 0.028 0.000 1.387 107 M HN 0.112 nan 8.290 nan 0.000 0.420 108 I N -0.027 120.543 120.570 -0.001 0.000 2.252 108 I HA -0.290 3.879 4.170 -0.002 0.000 0.245 108 I C 2.328 178.359 176.117 -0.144 0.000 1.102 108 I CA 1.331 62.576 61.300 -0.092 0.000 1.385 108 I CB -0.435 37.481 38.000 -0.141 0.000 1.064 108 I HN 0.271 nan 8.210 nan 0.000 0.414 109 K N 1.019 121.375 120.400 -0.074 0.000 2.026 109 K HA -0.141 4.178 4.320 -0.002 0.000 0.208 109 K C 2.121 178.658 176.600 -0.104 0.000 1.048 109 K CA 1.603 57.843 56.287 -0.079 0.000 0.929 109 K CB -0.255 32.253 32.500 0.014 0.000 0.713 109 K HN 0.288 nan 8.250 nan 0.000 0.439 110 A N 0.057 122.831 122.820 -0.076 0.000 2.216 110 A HA 0.040 4.359 4.320 -0.002 0.000 0.214 110 A C 1.338 178.832 177.584 -0.151 0.000 1.160 110 A CA 1.383 53.356 52.037 -0.106 0.000 0.725 110 A CB -0.257 18.721 19.000 -0.037 0.000 0.784 110 A HN 0.510 nan 8.150 nan 0.000 0.472 111 G N -2.140 106.586 108.800 -0.123 0.000 2.164 111 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.154 111 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.154 111 G C 0.183 175.045 174.900 -0.063 0.000 1.014 111 G CA -0.019 45.023 45.100 -0.097 0.000 0.683 111 G HN 0.547 nan 8.290 nan 0.000 0.500 112 M N 0.987 120.548 119.600 -0.065 0.000 2.284 112 M HA 0.246 4.724 4.480 -0.002 0.000 0.351 112 M C 1.053 177.273 176.300 -0.133 0.000 1.443 112 M CA 1.259 56.521 55.300 -0.063 0.000 1.031 112 M CB 0.032 32.611 32.600 -0.036 0.000 1.893 112 M HN 0.297 nan 8.290 nan 0.000 0.456 113 N N 4.282 122.878 118.700 -0.174 0.000 2.460 113 N HA 0.332 5.070 4.740 -0.002 0.000 0.193 113 N C -0.622 174.758 175.510 -0.216 0.000 1.080 113 N CA 0.017 52.841 53.050 -0.377 0.000 0.869 113 N CB 0.722 38.844 38.487 -0.608 0.000 1.201 113 N HN 0.515 nan 8.380 nan 0.000 0.457 114 I N 0.924 121.451 120.570 -0.073 0.000 2.499 114 I HA 0.442 4.611 4.170 -0.002 0.000 0.288 114 I C -1.114 175.035 176.117 0.053 0.000 1.048 114 I CA -0.950 60.361 61.300 0.019 0.000 1.062 114 I CB 2.029 40.078 38.000 0.082 0.000 1.238 114 I HN -0.061 nan 8.210 nan 0.000 0.426 115 A N 6.705 129.558 122.820 0.054 0.000 2.260 115 A HA 0.549 4.868 4.320 -0.002 0.000 0.308 115 A C -0.162 177.482 177.584 0.100 0.000 1.254 115 A CA -0.483 51.598 52.037 0.075 0.000 0.874 115 A CB 0.561 19.598 19.000 0.063 0.000 1.153 115 A HN 0.802 nan 8.150 nan 0.000 0.527 116 R N 3.226 123.815 120.500 0.148 0.000 2.221 116 R HA 0.504 4.842 4.340 -0.002 0.000 0.327 116 R C -1.209 175.199 176.300 0.179 0.000 1.033 116 R CA -0.358 55.862 56.100 0.200 0.000 0.887 116 R CB 0.366 30.835 30.300 0.281 0.000 1.057 116 R HN 0.739 nan 8.270 nan 0.000 0.455 117 L N 4.128 125.451 121.223 0.168 0.000 2.264 117 L HA 0.287 4.626 4.340 -0.002 0.000 0.289 117 L C -0.102 176.892 176.870 0.207 0.000 1.044 117 L CA -0.779 54.171 54.840 0.182 0.000 0.807 117 L CB 1.318 43.459 42.059 0.137 0.000 1.192 117 L HN 0.585 nan 8.230 nan 0.000 0.425 118 N N 2.377 121.233 118.700 0.259 0.000 2.500 118 N HA 0.182 4.921 4.740 -0.002 0.000 0.236 118 N C 0.191 175.845 175.510 0.241 0.000 1.022 118 N CA -0.237 52.976 53.050 0.270 0.000 0.935 118 N CB 0.398 39.056 38.487 0.286 0.000 1.147 118 N HN 0.325 nan 8.380 nan 0.000 0.512 119 F N 1.218 121.163 119.950 -0.009 0.000 2.805 119 F HA 0.073 4.599 4.527 -0.002 0.000 0.301 119 F C 2.156 177.975 175.800 0.032 0.000 1.196 119 F CA 0.259 58.260 58.000 0.002 0.000 1.439 119 F CB -0.049 38.895 39.000 -0.093 0.000 1.117 119 F HN 0.468 nan 8.300 nan 0.000 0.581 120 S N -1.488 114.264 115.700 0.085 0.000 2.522 120 S HA -0.003 4.466 4.470 -0.002 0.000 0.227 120 S C 0.343 174.604 174.600 -0.565 0.000 0.986 120 S CA 0.476 58.560 58.200 -0.193 0.000 0.929 120 S CB -0.235 62.835 63.200 -0.217 0.000 0.769 120 S HN 0.272 nan 8.310 nan 0.000 0.529 121 H N -1.151 117.946 119.070 0.045 0.000 2.980 121 H HA 0.507 5.062 4.556 -0.002 0.000 0.367 121 H C 0.314 175.520 175.328 -0.202 0.000 1.206 121 H CA -0.165 55.837 56.048 -0.076 0.000 1.126 121 H CB 1.221 30.930 29.762 -0.089 0.000 1.838 121 H HN 0.293 nan 8.280 nan 0.000 0.552 122 G N 0.926 109.539 108.800 -0.312 0.000 2.758 122 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.686 122 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.686 122 G C -0.147 174.510 174.900 -0.404 0.000 1.389 122 G CA -0.177 44.471 45.100 -0.752 0.000 0.845 122 G HN 0.898 nan 8.290 nan 0.000 0.572 123 S N -0.549 114.966 115.700 -0.307 0.000 2.713 123 S HA 0.624 5.093 4.470 -0.002 0.000 0.283 123 S C 1.220 175.828 174.600 0.012 0.000 1.161 123 S CA 0.367 58.508 58.200 -0.098 0.000 0.999 123 S CB 1.528 64.706 63.200 -0.037 0.000 1.039 123 S HN 0.836 nan 8.310 nan 0.000 0.548 124 H N 1.141 120.164 119.070 -0.078 0.000 2.321 124 H HA -0.069 4.486 4.556 -0.002 0.000 0.295 124 H C 1.875 177.245 175.328 0.070 0.000 1.102 124 H CA 2.534 58.522 56.048 -0.100 0.000 1.266 124 H CB -0.543 29.299 29.762 0.134 0.000 1.363 124 H HN 0.777 nan 8.280 nan 0.000 0.492 125 E N -0.542 119.807 120.200 0.247 0.000 2.077 125 E HA -0.178 4.170 4.350 -0.002 0.000 0.193 125 E C 2.126 178.789 176.600 0.105 0.000 0.989 125 E CA 1.115 57.628 56.400 0.188 0.000 0.800 125 E CB -0.541 29.246 29.700 0.146 0.000 0.746 125 E HN 0.593 nan 8.360 nan 0.000 0.452 126 Y N 0.547 120.790 120.300 -0.096 0.000 2.224 126 Y HA -0.249 4.300 4.550 -0.002 0.000 0.289 126 Y C 2.019 177.774 175.900 -0.241 0.000 1.146 126 Y CA 1.779 59.758 58.100 -0.202 0.000 1.182 126 Y CB 0.003 38.261 38.460 -0.335 0.000 0.983 126 Y HN 0.178 nan 8.280 nan 0.000 0.524 127 H N -0.732 118.286 119.070 -0.086 0.000 2.502 127 H HA 0.156 4.711 4.556 -0.002 0.000 0.283 127 H C 2.251 177.562 175.328 -0.029 0.000 1.015 127 H CA 0.868 56.813 56.048 -0.172 0.000 1.298 127 H CB -0.265 29.285 29.762 -0.353 0.000 1.411 127 H HN 0.518 nan 8.280 nan 0.000 0.556 128 A N 1.022 123.939 122.820 0.162 0.000 1.968 128 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 128 A C 2.237 179.853 177.584 0.055 0.000 1.169 128 A CA 1.079 53.191 52.037 0.124 0.000 0.638 128 A CB -0.091 18.995 19.000 0.143 0.000 0.812 128 A HN 0.375 nan 8.150 nan 0.000 0.446 129 E N -0.260 119.931 120.200 -0.015 0.000 2.028 129 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 129 E C 2.271 178.824 176.600 -0.078 0.000 0.988 129 E CA 1.219 57.584 56.400 -0.058 0.000 0.799 129 E CB -0.214 29.414 29.700 -0.119 0.000 0.755 129 E HN 0.494 nan 8.360 nan 0.000 0.447 130 S N 0.705 116.311 115.700 -0.156 0.000 2.378 130 S HA -0.235 4.234 4.470 -0.002 0.000 0.229 130 S C 2.015 176.618 174.600 0.005 0.000 1.052 130 S CA 1.365 59.504 58.200 -0.103 0.000 1.084 130 S CB -0.326 62.833 63.200 -0.069 0.000 0.950 130 S HN 0.183 nan 8.310 nan 0.000 0.440 131 I N 1.208 121.812 120.570 0.056 0.000 2.252 131 I HA -0.195 3.974 4.170 -0.002 0.000 0.245 131 I C 2.537 178.696 176.117 0.069 0.000 1.102 131 I CA 1.079 62.430 61.300 0.085 0.000 1.385 131 I CB -0.391 37.681 38.000 0.120 0.000 1.064 131 I HN 0.280 nan 8.210 nan 0.000 0.414 132 A N 0.555 123.410 122.820 0.059 0.000 1.933 132 A HA -0.228 4.091 4.320 -0.002 0.000 0.218 132 A C 2.039 179.647 177.584 0.041 0.000 1.175 132 A CA 2.095 54.165 52.037 0.055 0.000 0.628 132 A CB -0.923 18.107 19.000 0.049 0.000 0.814 132 A HN 0.517 nan 8.150 nan 0.000 0.444 133 N N -0.381 118.334 118.700 0.024 0.000 2.135 133 N HA -0.074 4.665 4.740 -0.002 0.000 0.186 133 N C 1.654 177.188 175.510 0.039 0.000 1.027 133 N CA 1.137 54.199 53.050 0.020 0.000 0.849 133 N CB -0.205 38.281 38.487 -0.003 0.000 1.002 133 N HN 0.216 nan 8.380 nan 0.000 0.425 134 V N 1.950 121.891 119.914 0.044 0.000 2.231 134 V HA -0.323 3.796 4.120 -0.002 0.000 0.250 134 V C 2.215 178.355 176.094 0.076 0.000 1.058 134 V CA 1.807 64.143 62.300 0.059 0.000 1.022 134 V CB -0.586 31.273 31.823 0.060 0.000 0.640 134 V HN 0.312 nan 8.190 nan 0.000 0.445 135 R N -0.586 119.959 120.500 0.077 0.000 2.127 135 R HA -0.225 4.114 4.340 -0.002 0.000 0.238 135 R C 2.388 178.746 176.300 0.097 0.000 1.134 135 R CA 1.822 57.977 56.100 0.092 0.000 0.975 135 R CB -0.320 30.031 30.300 0.085 0.000 0.865 135 R HN 0.713 nan 8.270 nan 0.000 0.447 136 E N 0.610 120.854 120.200 0.074 0.000 2.028 136 E HA -0.174 4.175 4.350 -0.002 0.000 0.191 136 E C 2.022 178.663 176.600 0.069 0.000 0.988 136 E CA 1.064 57.500 56.400 0.061 0.000 0.799 136 E CB -0.067 29.654 29.700 0.035 0.000 0.755 136 E HN 0.326 nan 8.360 nan 0.000 0.447 137 A N 0.706 123.572 122.820 0.076 0.000 1.892 137 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 137 A C 2.435 180.156 177.584 0.228 0.000 1.188 137 A CA 1.953 54.054 52.037 0.108 0.000 0.631 137 A CB -0.959 18.116 19.000 0.124 0.000 0.822 137 A HN 0.258 nan 8.150 nan 0.000 0.447 138 V N 0.200 120.244 119.914 0.217 0.000 2.407 138 V HA -0.166 3.953 4.120 -0.002 0.000 0.248 138 V C 2.167 178.470 176.094 0.348 0.000 1.055 138 V CA 1.973 64.425 62.300 0.253 0.000 1.049 138 V CB -0.737 31.154 31.823 0.113 0.000 0.662 138 V HN 0.499 nan 8.190 nan 0.000 0.455 139 E N 0.618 120.977 120.200 0.265 0.000 2.511 139 E HA -0.055 4.294 4.350 -0.002 0.000 0.196 139 E C 2.297 179.019 176.600 0.203 0.000 1.066 139 E CA 0.992 57.562 56.400 0.283 0.000 0.871 139 E CB -0.310 29.495 29.700 0.174 0.000 0.863 139 E HN 0.795 nan 8.360 nan 0.000 0.520 140 S N -0.457 115.302 115.700 0.099 0.000 2.461 140 S HA -0.048 4.421 4.470 -0.002 0.000 0.228 140 S C 1.256 175.715 174.600 -0.234 0.000 1.005 140 S CA 0.254 58.360 58.200 -0.157 0.000 0.942 140 S CB -0.379 62.608 63.200 -0.355 0.000 0.776 140 S HN 0.155 nan 8.310 nan 0.000 0.514 141 F N 1.290 121.313 119.950 0.122 0.000 2.641 141 F HA 0.627 5.153 4.527 -0.002 0.000 0.302 141 F C 1.970 177.932 175.800 0.269 0.000 1.098 141 F CA -0.547 57.539 58.000 0.143 0.000 1.318 141 F CB -0.396 38.660 39.000 0.094 0.000 1.035 141 F HN 0.245 nan 8.300 nan 0.000 0.551 142 A N 0.537 123.627 122.820 0.450 0.000 2.209 142 A HA 0.121 4.440 4.320 -0.002 0.000 0.212 142 A C 2.536 180.206 177.584 0.144 0.000 1.158 142 A CA 1.089 53.302 52.037 0.293 0.000 0.742 142 A CB -1.286 17.785 19.000 0.119 0.000 0.790 142 A HN 0.447 nan 8.150 nan 0.000 0.472 143 G N -0.390 108.496 108.800 0.144 0.000 2.545 143 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.222 143 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.222 143 G C 0.692 175.648 174.900 0.092 0.000 1.126 143 G CA 1.278 46.431 45.100 0.088 0.000 0.754 143 G HN 0.523 nan 8.290 nan 0.000 0.583 144 S N 0.221 116.008 115.700 0.145 0.000 2.746 144 S HA 0.438 4.907 4.470 -0.002 0.000 0.273 144 S C -2.030 172.671 174.600 0.168 0.000 1.172 144 S CA -0.802 57.474 58.200 0.128 0.000 1.116 144 S CB 2.596 65.863 63.200 0.113 0.000 1.057 144 S HN -0.055 nan 8.310 nan 0.000 0.483 145 P HA -0.042 nan 4.420 nan 0.000 0.219 145 P C 1.051 178.515 177.300 0.275 0.000 1.146 145 P CA 0.813 64.037 63.100 0.206 0.000 0.808 145 P CB 0.071 31.897 31.700 0.209 0.000 0.779 146 L N -1.593 119.720 121.223 0.150 0.000 2.217 146 L HA -0.059 4.280 4.340 -0.002 0.000 0.211 146 L C 2.451 179.332 176.870 0.018 0.000 1.107 146 L CA 1.486 56.319 54.840 -0.012 0.000 0.783 146 L CB -0.764 41.251 42.059 -0.074 0.000 0.919 146 L HN 0.043 nan 8.230 nan 0.000 0.442 147 S N -1.501 114.252 115.700 0.089 0.000 2.499 147 S HA -0.022 4.447 4.470 -0.002 0.000 0.225 147 S C 0.759 175.424 174.600 0.108 0.000 1.050 147 S CA -0.523 57.716 58.200 0.064 0.000 0.928 147 S CB -0.081 63.156 63.200 0.063 0.000 0.803 147 S HN 0.301 nan 8.310 nan 0.000 0.506 148 Y N 3.865 124.205 120.300 0.067 0.000 2.954 148 Y HA -0.031 4.518 4.550 -0.002 0.000 0.351 148 Y C 0.018 175.944 175.900 0.044 0.000 1.282 148 Y CA 0.602 58.747 58.100 0.075 0.000 1.614 148 Y CB 0.139 38.676 38.460 0.128 0.000 1.183 148 Y HN 0.170 nan 8.280 nan 0.000 0.566 149 R N 8.346 128.537 120.500 -0.514 0.000 2.246 149 R HA 0.330 4.669 4.340 -0.002 0.000 0.332 149 R C -2.361 173.626 176.300 -0.521 0.000 0.974 149 R CA -1.925 53.958 56.100 -0.362 0.000 0.837 149 R CB 0.663 30.790 30.300 -0.289 0.000 1.145 149 R HN 0.480 nan 8.270 nan 0.000 0.467 150 P HA 0.060 nan 4.420 nan 0.000 0.270 150 P C -0.671 176.665 177.300 0.060 0.000 1.223 150 P CA -0.253 62.820 63.100 -0.046 0.000 0.785 150 P CB 0.856 32.653 31.700 0.162 0.000 0.923 151 V N 0.904 120.852 119.914 0.057 0.000 2.569 151 V HA 0.492 4.610 4.120 -0.002 0.000 0.301 151 V C 0.355 176.503 176.094 0.091 0.000 1.044 151 V CA -1.026 61.305 62.300 0.051 0.000 0.874 151 V CB 1.452 33.268 31.823 -0.012 0.000 1.002 151 V HN 0.785 nan 8.190 nan 0.000 0.424 152 A N 5.805 128.697 122.820 0.119 0.000 2.448 152 A HA 0.694 5.013 4.320 -0.002 0.000 0.239 152 A C -0.307 177.301 177.584 0.040 0.000 1.080 152 A CA 0.128 52.215 52.037 0.083 0.000 0.779 152 A CB 0.159 19.212 19.000 0.089 0.000 1.026 152 A HN 0.766 nan 8.150 nan 0.000 0.499 153 I N 0.945 121.525 120.570 0.016 0.000 2.439 153 I HA 0.480 4.649 4.170 -0.002 0.000 0.285 153 I C 0.201 176.277 176.117 -0.068 0.000 1.021 153 I CA -0.207 61.096 61.300 0.004 0.000 1.091 153 I CB 1.822 39.844 38.000 0.037 0.000 1.242 153 I HN 0.680 nan 8.210 nan 0.000 0.439 154 A N 7.475 130.222 122.820 -0.121 0.000 2.287 154 A HA 0.607 4.926 4.320 -0.002 0.000 0.317 154 A C -0.797 176.659 177.584 -0.213 0.000 1.220 154 A CA -0.482 51.348 52.037 -0.345 0.000 0.835 154 A CB 1.039 19.604 19.000 -0.725 0.000 1.180 154 A HN 0.780 nan 8.150 nan 0.000 0.500 155 L N 2.743 123.838 121.223 -0.213 0.000 2.367 155 L HA 0.317 4.656 4.340 -0.002 0.000 0.275 155 L C -0.518 176.292 176.870 -0.100 0.000 1.129 155 L CA -0.271 54.482 54.840 -0.144 0.000 0.839 155 L CB 0.671 42.574 42.059 -0.259 0.000 1.133 155 L HN 0.696 nan 8.230 nan 0.000 0.453 156 D N 3.938 124.385 120.400 0.077 0.000 2.414 156 D HA 0.145 4.784 4.640 -0.002 0.000 0.232 156 D C -0.470 175.914 176.300 0.140 0.000 1.070 156 D CA -0.290 53.828 54.000 0.197 0.000 0.839 156 D CB 1.567 42.551 40.800 0.307 0.000 1.079 156 D HN 0.479 nan 8.370 nan 0.000 0.521 157 T N 2.750 117.356 114.554 0.086 0.000 2.900 157 T HA 0.010 4.359 4.350 -0.002 0.000 0.307 157 T C 1.349 176.129 174.700 0.134 0.000 1.065 157 T CA 0.012 62.148 62.100 0.060 0.000 1.105 157 T CB 1.363 70.255 68.868 0.041 0.000 0.979 157 T HN 0.416 nan 8.240 nan 0.000 0.544 158 K N 1.999 122.485 120.400 0.143 0.000 2.005 158 K HA 0.162 4.481 4.320 -0.002 0.000 0.206 158 K C 1.153 177.854 176.600 0.170 0.000 1.044 158 K CA 1.086 57.460 56.287 0.144 0.000 0.942 158 K CB -0.697 31.873 32.500 0.117 0.000 0.727 158 K HN 0.939 nan 8.250 nan 0.000 0.439 159 G N 0.491 109.372 108.800 0.135 0.000 2.752 159 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.234 159 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.234 159 G C -2.255 172.669 174.900 0.040 0.000 1.367 159 G CA -0.217 44.964 45.100 0.135 0.000 0.879 159 G HN 0.271 nan 8.290 nan 0.000 0.563 160 P HA 0.076 nan 4.420 nan 0.000 0.234 160 P C 0.570 177.673 177.300 -0.328 0.000 1.457 160 P CA 0.545 63.517 63.100 -0.214 0.000 0.891 160 P CB -0.549 30.969 31.700 -0.302 0.000 1.734 161 E N 0.661 120.762 120.200 -0.165 0.000 2.492 161 E HA 0.038 4.387 4.350 -0.002 0.000 0.266 161 E C 0.402 176.920 176.600 -0.136 0.000 1.047 161 E CA 0.514 56.837 56.400 -0.128 0.000 0.968 161 E CB 0.546 30.225 29.700 -0.034 0.000 0.960 161 E HN 0.330 nan 8.360 nan 0.000 0.452 162 I N 2.314 122.810 120.570 -0.125 0.000 2.534 162 I HA 0.322 4.491 4.170 -0.002 0.000 0.288 162 I C -0.172 175.907 176.117 -0.064 0.000 1.077 162 I CA -0.492 60.743 61.300 -0.107 0.000 1.051 162 I CB 1.630 39.524 38.000 -0.177 0.000 1.234 162 I HN 0.231 nan 8.210 nan 0.000 0.425 163 R N 3.050 123.522 120.500 -0.047 0.000 2.750 163 R HA 0.565 4.903 4.340 -0.002 0.000 0.281 163 R C -0.217 176.082 176.300 -0.003 0.000 0.972 163 R CA -0.750 55.351 56.100 0.003 0.000 0.912 163 R CB 2.703 33.035 30.300 0.054 0.000 1.187 163 R HN 0.686 nan 8.270 nan 0.000 0.464 164 T N -0.951 113.635 114.554 0.053 0.000 2.689 164 T HA 0.333 4.682 4.350 -0.002 0.000 0.308 164 T C 0.891 175.771 174.700 0.299 0.000 1.021 164 T CA -0.576 61.595 62.100 0.117 0.000 0.973 164 T CB 0.578 69.512 68.868 0.110 0.000 1.113 164 T HN 0.605 nan 8.240 nan 0.000 0.522 165 G N -0.781 108.273 108.800 0.424 0.000 2.522 165 G HA2 0.549 4.507 3.960 -0.002 0.000 0.304 165 G HA3 0.549 4.507 3.960 -0.002 0.000 0.304 165 G C -0.382 174.636 174.900 0.197 0.000 1.210 165 G CA -1.230 44.129 45.100 0.431 0.000 0.960 165 G HN 0.728 nan 8.290 nan 0.000 0.497 166 I N -0.301 120.334 120.570 0.107 0.000 2.692 166 I HA 0.097 4.266 4.170 -0.002 0.000 0.284 166 I C 0.297 176.446 176.117 0.052 0.000 1.159 166 I CA -0.155 61.178 61.300 0.055 0.000 1.423 166 I CB 0.660 38.665 38.000 0.008 0.000 1.380 166 I HN 0.113 nan 8.210 nan 0.000 0.580 167 L N 5.122 126.372 121.223 0.045 0.000 2.350 167 L HA 0.268 4.607 4.340 -0.002 0.000 0.275 167 L C 0.298 177.183 176.870 0.025 0.000 1.099 167 L CA -0.173 54.695 54.840 0.045 0.000 0.808 167 L CB 0.873 42.959 42.059 0.045 0.000 1.149 167 L HN 0.610 nan 8.230 nan 0.000 0.442 168 Q N 3.079 122.895 119.800 0.027 0.000 2.478 168 Q HA 0.214 4.553 4.340 -0.002 0.000 0.323 168 Q C 1.144 177.147 176.000 0.004 0.000 1.087 168 Q CA 1.491 57.300 55.803 0.010 0.000 1.056 168 Q CB -0.019 28.729 28.738 0.017 0.000 1.018 168 Q HN 0.966 nan 8.270 nan 0.000 0.387 169 G N 2.199 110.994 108.800 -0.008 0.000 2.212 169 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.266 169 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.266 169 G C 0.174 175.071 174.900 -0.005 0.000 0.978 169 G CA -0.096 44.999 45.100 -0.009 0.000 0.632 169 G HN 1.225 nan 8.290 nan 0.000 0.537 170 G N -1.318 107.482 108.800 -0.001 0.000 2.733 170 G HA2 0.688 4.647 3.960 -0.002 0.000 0.297 170 G HA3 0.688 4.647 3.960 -0.002 0.000 0.297 170 G C -1.933 172.972 174.900 0.007 0.000 1.452 170 G CA 0.099 45.200 45.100 0.002 0.000 0.940 170 G HN 0.063 nan 8.290 nan 0.000 0.547 171 P HA 0.137 nan 4.420 nan 0.000 0.230 171 P C 0.852 178.159 177.300 0.011 0.000 1.168 171 P CA 0.753 63.859 63.100 0.010 0.000 0.793 171 P CB 0.730 32.432 31.700 0.004 0.000 0.851 172 E N -0.319 119.885 120.200 0.007 0.000 2.415 172 E HA 0.029 4.377 4.350 -0.002 0.000 0.197 172 E C 0.841 177.447 176.600 0.010 0.000 1.007 172 E CA 0.063 56.466 56.400 0.006 0.000 0.890 172 E CB -0.323 29.378 29.700 0.001 0.000 0.891 172 E HN 0.214 nan 8.360 nan 0.000 0.496 173 S N 0.872 116.579 115.700 0.012 0.000 2.584 173 S HA 0.198 4.667 4.470 -0.002 0.000 0.270 173 S C 0.113 174.725 174.600 0.021 0.000 1.346 173 S CA -0.612 57.597 58.200 0.015 0.000 1.018 173 S CB 0.725 63.933 63.200 0.014 0.000 0.899 173 S HN 0.076 nan 8.310 nan 0.000 0.542 174 E N -0.079 120.134 120.200 0.021 0.000 2.369 174 E HA 0.732 5.081 4.350 -0.002 0.000 0.270 174 E C -1.464 175.152 176.600 0.027 0.000 0.909 174 E CA -1.167 55.248 56.400 0.026 0.000 0.775 174 E CB 1.908 31.622 29.700 0.024 0.000 1.270 174 E HN 0.382 nan 8.360 nan 0.000 0.445 175 V N 0.738 120.671 119.914 0.032 0.000 2.914 175 V HA 0.323 4.442 4.120 -0.002 0.000 0.314 175 V C -0.645 175.467 176.094 0.031 0.000 1.084 175 V CA -0.797 61.522 62.300 0.032 0.000 0.963 175 V CB 2.007 33.853 31.823 0.039 0.000 1.025 175 V HN 0.687 nan 8.190 nan 0.000 0.432 176 E N 3.105 123.322 120.200 0.027 0.000 2.133 176 E HA 0.343 4.692 4.350 -0.002 0.000 0.274 176 E C -1.517 175.098 176.600 0.025 0.000 0.930 176 E CA -0.646 55.769 56.400 0.026 0.000 0.770 176 E CB 1.426 31.139 29.700 0.022 0.000 1.104 176 E HN 0.417 nan 8.360 nan 0.000 0.403 177 L N 5.723 126.962 121.223 0.026 0.000 2.328 177 L HA 0.242 4.581 4.340 -0.002 0.000 0.280 177 L C -0.080 176.801 176.870 0.018 0.000 1.111 177 L CA -0.353 54.500 54.840 0.022 0.000 0.909 177 L CB 0.783 42.856 42.059 0.023 0.000 1.277 177 L HN 0.390 nan 8.230 nan 0.000 0.433 178 V N 3.950 123.873 119.914 0.016 0.000 2.655 178 V HA -0.012 4.106 4.120 -0.002 0.000 0.300 178 V C 1.012 177.112 176.094 0.011 0.000 1.044 178 V CA -0.295 62.014 62.300 0.014 0.000 1.095 178 V CB 0.993 32.824 31.823 0.013 0.000 0.952 178 V HN 0.658 nan 8.190 nan 0.000 0.485 179 K N 3.651 124.058 120.400 0.011 0.000 2.511 179 K HA 0.219 4.538 4.320 -0.002 0.000 0.280 179 K C 1.198 177.800 176.600 0.005 0.000 1.008 179 K CA 1.094 57.386 56.287 0.008 0.000 1.050 179 K CB -0.089 32.417 32.500 0.010 0.000 0.889 179 K HN 1.086 nan 8.250 nan 0.000 0.484 180 G N 2.305 111.106 108.800 0.001 0.000 2.179 180 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.260 180 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.260 180 G C 0.018 174.917 174.900 -0.001 0.000 0.977 180 G CA 0.496 45.595 45.100 -0.001 0.000 0.641 180 G HN 0.817 nan 8.290 nan 0.000 0.533 181 S N -0.940 114.760 115.700 0.001 0.000 2.645 181 S HA 0.651 5.120 4.470 -0.002 0.000 0.266 181 S C 0.042 174.641 174.600 -0.002 0.000 1.258 181 S CA -0.243 57.959 58.200 0.002 0.000 0.990 181 S CB 1.762 64.965 63.200 0.006 0.000 0.967 181 S HN 0.444 nan 8.310 nan 0.000 0.556 182 Q N 0.271 120.071 119.800 -0.000 0.000 2.295 182 Q HA 0.566 4.904 4.340 -0.002 0.000 0.259 182 Q C -1.418 174.581 176.000 -0.003 0.000 0.976 182 Q CA -0.150 55.651 55.803 -0.004 0.000 0.923 182 Q CB 0.853 29.590 28.738 -0.002 0.000 1.185 182 Q HN 0.593 nan 8.270 nan 0.000 0.410 183 V N 4.754 124.662 119.914 -0.009 0.000 2.709 183 V HA 0.435 4.554 4.120 -0.002 0.000 0.308 183 V C -1.315 174.768 176.094 -0.017 0.000 1.062 183 V CA -0.970 61.325 62.300 -0.008 0.000 0.901 183 V CB 1.918 33.737 31.823 -0.005 0.000 1.003 183 V HN 0.672 nan 8.190 nan 0.000 0.425 184 L N 6.586 127.799 121.223 -0.017 0.000 2.298 184 L HA 0.684 5.023 4.340 -0.002 0.000 0.284 184 L C -0.555 176.295 176.870 -0.034 0.000 1.013 184 L CA 0.009 54.828 54.840 -0.035 0.000 0.824 184 L CB 1.580 43.608 42.059 -0.050 0.000 1.221 184 L HN 0.445 nan 8.230 nan 0.000 0.418 185 V N 3.873 123.761 119.914 -0.044 0.000 2.383 185 V HA 0.585 4.704 4.120 -0.002 0.000 0.275 185 V C 0.584 176.638 176.094 -0.068 0.000 1.036 185 V CA -0.174 62.096 62.300 -0.049 0.000 0.889 185 V CB 0.915 32.701 31.823 -0.061 0.000 0.985 185 V HN 0.886 nan 8.190 nan 0.000 0.459 186 T N 1.612 116.131 114.554 -0.059 0.000 2.940 186 T HA 0.587 4.936 4.350 -0.002 0.000 0.288 186 T C 0.321 174.993 174.700 -0.047 0.000 1.033 186 T CA -0.193 61.873 62.100 -0.056 0.000 1.033 186 T CB 1.932 70.723 68.868 -0.129 0.000 1.079 186 T HN 0.613 nan 8.240 nan 0.000 0.496 187 V N -0.972 118.936 119.914 -0.010 0.000 3.380 187 V HA 0.337 4.456 4.120 -0.002 0.000 0.307 187 V C 0.485 176.762 176.094 0.306 0.000 1.434 187 V CA -0.424 61.879 62.300 0.006 0.000 1.075 187 V CB -0.550 31.218 31.823 -0.092 0.000 0.954 187 V HN 0.910 nan 8.190 nan 0.000 0.444 188 D N 2.987 123.548 120.400 0.269 0.000 2.368 188 D HA 0.137 4.776 4.640 -0.002 0.000 0.268 188 D C -1.246 175.258 176.300 0.340 0.000 1.298 188 D CA -1.767 52.381 54.000 0.246 0.000 0.938 188 D CB 1.691 42.554 40.800 0.105 0.000 1.101 188 D HN 0.157 nan 8.370 nan 0.000 0.509 189 P HA -0.160 nan 4.420 nan 0.000 0.219 189 P C 0.837 178.074 177.300 -0.105 0.000 1.144 189 P CA 1.397 64.547 63.100 0.083 0.000 0.806 189 P CB 0.204 31.952 31.700 0.081 0.000 0.771 190 A N -1.379 121.476 122.820 0.058 0.000 1.897 190 A HA -0.105 4.214 4.320 -0.002 0.000 0.215 190 A C 1.463 178.972 177.584 -0.124 0.000 1.181 190 A CA 1.134 53.157 52.037 -0.022 0.000 0.620 190 A CB -1.445 17.566 19.000 0.020 0.000 0.821 190 A HN 0.111 nan 8.150 nan 0.000 0.443 191 F N -0.067 119.775 119.950 -0.180 0.000 2.773 191 F HA 0.200 4.726 4.527 -0.002 0.000 0.304 191 F C 1.765 177.386 175.800 -0.298 0.000 1.129 191 F CA -0.115 57.801 58.000 -0.140 0.000 1.378 191 F CB -0.360 38.644 39.000 0.007 0.000 1.095 191 F HN 0.198 nan 8.300 nan 0.000 0.565 192 R N 0.203 120.353 120.500 -0.584 0.000 2.495 192 R HA -0.196 4.142 4.340 -0.002 0.000 0.229 192 R C 0.873 176.925 176.300 -0.414 0.000 1.179 192 R CA 1.651 57.069 56.100 -1.137 0.000 1.105 192 R CB -0.293 29.243 30.300 -1.273 0.000 0.809 192 R HN 0.371 nan 8.270 nan 0.000 0.495 193 T N -1.993 112.458 114.554 -0.172 0.000 3.285 193 T HA 0.184 4.533 4.350 -0.002 0.000 0.263 193 T C 0.439 175.116 174.700 -0.039 0.000 0.836 193 T CA -0.370 61.668 62.100 -0.104 0.000 0.849 193 T CB 0.173 68.945 68.868 -0.160 0.000 1.252 193 T HN 0.314 nan 8.240 nan 0.000 0.617 194 R N 1.656 122.145 120.500 -0.019 0.000 2.568 194 R HA 0.428 4.767 4.340 -0.002 0.000 0.288 194 R C 0.934 177.311 176.300 0.129 0.000 1.077 194 R CA -0.081 56.020 56.100 0.003 0.000 1.102 194 R CB 0.425 30.635 30.300 -0.149 0.000 1.278 194 R HN 0.286 nan 8.270 nan 0.000 0.560 195 G N 1.097 109.980 108.800 0.137 0.000 2.483 195 G HA2 0.172 4.130 3.960 -0.002 0.000 0.248 195 G HA3 0.172 4.130 3.960 -0.002 0.000 0.248 195 G C -0.171 174.792 174.900 0.105 0.000 1.248 195 G CA -0.232 44.961 45.100 0.155 0.000 0.838 195 G HN 0.383 nan 8.290 nan 0.000 0.566 196 N N -1.004 117.755 118.700 0.098 0.000 3.449 196 N HA 0.331 5.069 4.740 -0.002 0.000 0.312 196 N C 1.313 176.858 175.510 0.059 0.000 1.557 196 N CA 0.030 53.122 53.050 0.070 0.000 0.864 196 N CB 0.459 38.984 38.487 0.065 0.000 1.799 196 N HN 0.689 nan 8.380 nan 0.000 0.554 197 A N -0.039 122.809 122.820 0.046 0.000 2.001 197 A HA -0.269 4.050 4.320 -0.002 0.000 0.224 197 A C 0.922 178.526 177.584 0.035 0.000 1.203 197 A CA 2.445 54.504 52.037 0.037 0.000 0.667 197 A CB -0.892 18.127 19.000 0.031 0.000 0.823 197 A HN 0.685 nan 8.150 nan 0.000 0.473 198 N N -1.487 117.237 118.700 0.041 0.000 2.197 198 N HA 0.141 4.880 4.740 -0.002 0.000 0.228 198 N C -0.880 174.650 175.510 0.034 0.000 1.212 198 N CA 0.504 53.573 53.050 0.032 0.000 0.883 198 N CB 1.045 39.549 38.487 0.029 0.000 1.107 198 N HN 0.328 nan 8.380 nan 0.000 0.519 199 T N 0.287 114.873 114.554 0.052 0.000 3.105 199 T HA 0.451 4.799 4.350 -0.002 0.000 0.321 199 T C -0.663 174.091 174.700 0.089 0.000 1.135 199 T CA -0.684 61.453 62.100 0.062 0.000 1.053 199 T CB 2.410 71.331 68.868 0.088 0.000 1.133 199 T HN -0.078 nan 8.240 nan 0.000 0.463 200 V N 0.139 120.101 119.914 0.081 0.000 2.638 200 V HA 0.823 4.942 4.120 -0.002 0.000 0.306 200 V C -1.261 174.925 176.094 0.154 0.000 1.052 200 V CA -1.175 61.194 62.300 0.115 0.000 0.885 200 V CB 1.850 33.712 31.823 0.065 0.000 0.999 200 V HN 0.981 nan 8.190 nan 0.000 0.424 201 W N 4.017 125.339 121.300 0.037 0.000 2.469 201 W HA 0.792 5.451 4.660 -0.002 0.000 0.320 201 W C -1.212 175.330 176.519 0.038 0.000 1.086 201 W CA -0.708 56.659 57.345 0.037 0.000 1.211 201 W CB 1.728 31.232 29.460 0.072 0.000 1.298 201 W HN 0.661 nan 8.180 nan 0.000 0.525 202 V N 6.466 125.769 119.914 -1.018 0.000 2.769 202 V HA 0.237 4.356 4.120 -0.002 0.000 0.312 202 V C -0.046 175.085 176.094 -1.604 0.000 1.061 202 V CA -0.556 61.199 62.300 -0.908 0.000 0.931 202 V CB 2.185 33.759 31.823 -0.416 0.000 1.010 202 V HN 0.623 nan 8.190 nan 0.000 0.433 203 D N 2.656 122.453 120.400 -1.005 0.000 2.427 203 D HA 0.025 4.664 4.640 -0.002 0.000 0.224 203 D C -0.367 175.793 176.300 -0.234 0.000 1.157 203 D CA -0.012 53.567 54.000 -0.702 0.000 0.828 203 D CB -0.073 40.609 40.800 -0.197 0.000 0.974 203 D HN 0.393 nan 8.370 nan 0.000 0.498 204 Y N 0.930 121.010 120.300 -0.367 0.000 2.686 204 Y HA 0.353 4.902 4.550 -0.002 0.000 0.331 204 Y C -1.894 173.883 175.900 -0.205 0.000 0.996 204 Y CA -2.300 55.670 58.100 -0.216 0.000 1.293 204 Y CB 1.677 40.029 38.460 -0.180 0.000 1.092 204 Y HN -0.251 nan 8.280 nan 0.000 0.524 205 P HA -0.301 nan 4.420 nan 0.000 0.218 205 P C 0.801 177.863 177.300 -0.397 0.000 1.165 205 P CA 1.958 64.859 63.100 -0.332 0.000 0.922 205 P CB 0.358 31.892 31.700 -0.276 0.000 0.794 206 N N -0.803 117.447 118.700 -0.750 0.000 2.585 206 N HA -0.113 4.626 4.740 -0.002 0.000 0.188 206 N C 1.744 177.206 175.510 -0.081 0.000 1.102 206 N CA 0.440 53.209 53.050 -0.467 0.000 0.920 206 N CB -0.632 37.538 38.487 -0.528 0.000 0.963 206 N HN 0.268 nan 8.380 nan 0.000 0.447 207 I N 1.239 121.843 120.570 0.057 0.000 2.208 207 I HA -0.244 3.924 4.170 -0.002 0.000 0.245 207 I C 1.860 178.003 176.117 0.042 0.000 1.097 207 I CA 1.078 62.491 61.300 0.189 0.000 1.363 207 I CB 0.065 38.153 38.000 0.147 0.000 1.051 207 I HN -0.017 nan 8.210 nan 0.000 0.413 208 V N -1.555 118.349 119.914 -0.017 0.000 3.444 208 V HA -0.079 4.039 4.120 -0.002 0.000 0.271 208 V C 2.067 178.148 176.094 -0.021 0.000 1.188 208 V CA 1.244 63.527 62.300 -0.028 0.000 1.168 208 V CB -0.959 30.838 31.823 -0.043 0.000 0.810 208 V HN 0.434 nan 8.190 nan 0.000 0.500 209 R N -0.392 120.102 120.500 -0.011 0.000 2.287 209 R HA 0.241 4.580 4.340 -0.002 0.000 0.197 209 R C 1.495 177.804 176.300 0.015 0.000 0.900 209 R CA 1.023 57.119 56.100 -0.007 0.000 1.052 209 R CB 0.874 31.158 30.300 -0.026 0.000 1.117 209 R HN 0.549 nan 8.270 nan 0.000 0.568 210 V N 0.370 120.312 119.914 0.046 0.000 3.644 210 V HA 0.183 4.302 4.120 -0.002 0.000 0.267 210 V C 0.512 176.614 176.094 0.013 0.000 1.277 210 V CA 0.138 62.465 62.300 0.044 0.000 1.096 210 V CB 1.234 33.111 31.823 0.089 0.000 0.828 210 V HN -0.137 nan 8.190 nan 0.000 0.446 211 V N 4.440 124.356 119.914 0.004 0.000 2.334 211 V HA 0.345 4.464 4.120 -0.002 0.000 0.267 211 V C -1.762 174.321 176.094 -0.020 0.000 1.040 211 V CA -1.597 60.693 62.300 -0.016 0.000 0.866 211 V CB 0.852 32.660 31.823 -0.026 0.000 1.019 211 V HN 0.331 nan 8.190 nan 0.000 0.468 212 P HA 0.085 nan 4.420 nan 0.000 0.271 212 P C -0.074 177.212 177.300 -0.025 0.000 1.233 212 P CA -0.209 62.879 63.100 -0.021 0.000 0.789 212 P CB 0.655 32.343 31.700 -0.020 0.000 0.951 213 V N 1.204 121.105 119.914 -0.022 0.000 2.416 213 V HA 0.266 4.385 4.120 -0.002 0.000 0.260 213 V C 1.593 177.672 176.094 -0.024 0.000 1.018 213 V CA 1.659 63.946 62.300 -0.023 0.000 1.120 213 V CB -1.043 30.768 31.823 -0.019 0.000 1.081 213 V HN 1.100 nan 8.190 nan 0.000 0.474 214 G N 3.229 112.011 108.800 -0.030 0.000 2.155 214 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.130 214 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.130 214 G C 0.287 175.163 174.900 -0.040 0.000 1.027 214 G CA -0.390 44.690 45.100 -0.032 0.000 0.705 214 G HN 1.130 nan 8.290 nan 0.000 0.496 215 G N -0.763 108.009 108.800 -0.047 0.000 2.522 215 G HA2 0.687 4.646 3.960 -0.002 0.000 0.304 215 G HA3 0.687 4.646 3.960 -0.002 0.000 0.304 215 G C -0.282 174.565 174.900 -0.088 0.000 1.210 215 G CA -0.687 44.379 45.100 -0.057 0.000 0.960 215 G HN 0.387 nan 8.290 nan 0.000 0.497 216 R N -0.880 119.551 120.500 -0.116 0.000 2.670 216 R HA 0.596 4.935 4.340 -0.002 0.000 0.289 216 R C -1.284 174.880 176.300 -0.227 0.000 0.965 216 R CA -0.687 55.285 56.100 -0.213 0.000 0.899 216 R CB 1.647 31.770 30.300 -0.296 0.000 1.173 216 R HN 0.393 nan 8.270 nan 0.000 0.456 217 I N 3.244 123.649 120.570 -0.275 0.000 2.466 217 I HA 0.291 4.460 4.170 -0.002 0.000 0.289 217 I C -1.152 174.820 176.117 -0.241 0.000 1.026 217 I CA -0.522 60.664 61.300 -0.190 0.000 1.078 217 I CB 1.712 39.648 38.000 -0.106 0.000 1.249 217 I HN 0.520 nan 8.210 nan 0.000 0.429 218 Y N 6.388 126.678 120.300 -0.017 0.000 2.328 218 Y HA 0.620 5.169 4.550 -0.002 0.000 0.337 218 Y C -0.047 175.850 175.900 -0.004 0.000 1.008 218 Y CA -0.463 57.635 58.100 -0.004 0.000 1.129 218 Y CB 1.302 39.764 38.460 0.004 0.000 1.185 218 Y HN 0.367 nan 8.280 nan 0.000 0.476 219 I N 2.666 123.337 120.570 0.169 0.000 2.603 219 I HA 0.226 4.395 4.170 -0.002 0.000 0.300 219 I C -0.800 175.380 176.117 0.105 0.000 1.017 219 I CA -0.903 60.459 61.300 0.103 0.000 1.098 219 I CB 1.705 39.740 38.000 0.058 0.000 1.279 219 I HN 0.593 nan 8.210 nan 0.000 0.437 220 D N 4.395 124.844 120.400 0.082 0.000 3.763 220 D HA -0.251 4.388 4.640 -0.002 0.000 0.232 220 D C 0.227 176.569 176.300 0.070 0.000 1.108 220 D CA 1.240 55.283 54.000 0.073 0.000 1.117 220 D CB -0.616 40.223 40.800 0.065 0.000 0.846 220 D HN 0.798 nan 8.370 nan 0.000 0.405 221 D N 1.608 122.047 120.400 0.066 0.000 2.911 221 D HA -0.177 4.461 4.640 -0.002 0.000 0.227 221 D C 1.071 177.383 176.300 0.020 0.000 1.164 221 D CA 2.877 56.905 54.000 0.047 0.000 0.782 221 D CB -1.139 39.687 40.800 0.045 0.000 1.094 221 D HN 1.439 nan 8.370 nan 0.000 0.425 222 G N -1.726 107.097 108.800 0.037 0.000 2.148 222 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.254 222 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.254 222 G C 0.915 175.862 174.900 0.078 0.000 0.981 222 G CA 0.533 45.622 45.100 -0.017 0.000 0.670 222 G HN 0.562 nan 8.290 nan 0.000 0.528 223 L N -0.095 121.191 121.223 0.106 0.000 2.408 223 L HA 0.375 4.713 4.340 -0.002 0.000 0.215 223 L C 1.155 178.101 176.870 0.127 0.000 1.081 223 L CA 0.176 55.075 54.840 0.099 0.000 0.840 223 L CB -0.040 42.056 42.059 0.061 0.000 1.002 223 L HN 0.184 nan 8.230 nan 0.000 0.468 224 I N -0.797 119.856 120.570 0.138 0.000 2.437 224 I HA 0.348 4.517 4.170 -0.002 0.000 0.298 224 I C 0.049 176.233 176.117 0.111 0.000 0.984 224 I CA -0.097 61.265 61.300 0.103 0.000 1.214 224 I CB 1.478 39.517 38.000 0.065 0.000 1.365 224 I HN -0.135 nan 8.210 nan 0.000 0.469 225 S N 6.705 122.414 115.700 0.015 0.000 2.547 225 S HA 0.840 5.308 4.470 -0.002 0.000 0.281 225 S C -1.208 173.302 174.600 -0.149 0.000 1.118 225 S CA -0.593 57.511 58.200 -0.161 0.000 0.947 225 S CB 1.246 64.338 63.200 -0.180 0.000 1.053 225 S HN 0.487 nan 8.310 nan 0.000 0.482 226 L N 3.453 124.554 121.223 -0.204 0.000 2.408 226 L HA 0.705 5.043 4.340 -0.002 0.000 0.268 226 L C -1.160 175.625 176.870 -0.141 0.000 0.986 226 L CA -1.179 53.583 54.840 -0.131 0.000 0.820 226 L CB 2.306 44.312 42.059 -0.089 0.000 1.303 226 L HN 0.433 nan 8.230 nan 0.000 0.411 227 V N 2.480 122.335 119.914 -0.098 0.000 2.357 227 V HA 0.280 4.398 4.120 -0.002 0.000 0.284 227 V C 0.213 176.271 176.094 -0.060 0.000 1.018 227 V CA -0.804 61.447 62.300 -0.082 0.000 0.841 227 V CB 1.717 33.500 31.823 -0.066 0.000 0.991 227 V HN 0.461 nan 8.190 nan 0.000 0.437 228 V N 6.661 126.540 119.914 -0.058 0.000 2.403 228 V HA 0.018 4.137 4.120 -0.002 0.000 0.265 228 V C 1.438 177.510 176.094 -0.036 0.000 1.034 228 V CA 0.341 62.614 62.300 -0.045 0.000 1.036 228 V CB 0.481 32.278 31.823 -0.043 0.000 1.032 228 V HN 1.093 nan 8.190 nan 0.000 0.478 229 Q N 4.116 123.898 119.800 -0.031 0.000 2.259 229 Q HA 0.174 4.512 4.340 -0.002 0.000 0.201 229 Q C 0.076 176.063 176.000 -0.022 0.000 0.938 229 Q CA 0.424 56.212 55.803 -0.025 0.000 0.872 229 Q CB 0.542 29.267 28.738 -0.022 0.000 0.971 229 Q HN 0.502 nan 8.270 nan 0.000 0.494 230 K N 0.861 121.248 120.400 -0.023 0.000 2.468 230 K HA 0.379 4.698 4.320 -0.002 0.000 0.252 230 K C -1.188 175.398 176.600 -0.023 0.000 0.932 230 K CA -0.783 55.492 56.287 -0.021 0.000 0.794 230 K CB 2.677 35.167 32.500 -0.018 0.000 1.241 230 K HN 0.083 nan 8.250 nan 0.000 0.428 231 I N 2.165 122.722 120.570 -0.022 0.000 2.416 231 I HA 0.274 4.442 4.170 -0.002 0.000 0.288 231 I C 0.175 176.279 176.117 -0.023 0.000 1.051 231 I CA 0.320 61.606 61.300 -0.023 0.000 1.375 231 I CB 0.723 38.711 38.000 -0.021 0.000 1.407 231 I HN 0.666 nan 8.210 nan 0.000 0.516 232 G N 7.763 116.547 108.800 -0.028 0.000 2.432 232 G HA2 0.573 4.532 3.960 -0.002 0.000 0.331 232 G HA3 0.573 4.532 3.960 -0.002 0.000 0.331 232 G C -2.335 172.548 174.900 -0.028 0.000 1.170 232 G CA -1.030 44.053 45.100 -0.028 0.000 0.943 232 G HN 0.487 nan 8.290 nan 0.000 0.483 233 P HA 0.135 nan 4.420 nan 0.000 0.253 233 P C 0.119 177.404 177.300 -0.024 0.000 1.281 233 P CA 0.442 63.530 63.100 -0.020 0.000 0.792 233 P CB 0.382 32.074 31.700 -0.014 0.000 1.193 234 E N -3.004 117.174 120.200 -0.037 0.000 2.614 234 E HA 0.421 4.770 4.350 -0.002 0.000 0.192 234 E C 0.489 177.043 176.600 -0.076 0.000 0.930 234 E CA -0.340 56.028 56.400 -0.052 0.000 1.346 234 E CB 0.029 29.693 29.700 -0.061 0.000 1.252 234 E HN 0.032 nan 8.360 nan 0.000 0.647 235 G N 0.639 109.401 108.800 -0.064 0.000 2.343 235 G HA2 0.296 4.255 3.960 -0.002 0.000 0.298 235 G HA3 0.296 4.255 3.960 -0.002 0.000 0.298 235 G C -1.515 173.352 174.900 -0.056 0.000 1.644 235 G CA -1.196 43.863 45.100 -0.069 0.000 0.958 235 G HN 0.089 nan 8.290 nan 0.000 0.702 236 L N 1.285 122.477 121.223 -0.052 0.000 2.456 236 L HA 0.285 4.624 4.340 -0.002 0.000 0.277 236 L C 0.758 177.603 176.870 -0.042 0.000 1.124 236 L CA -0.611 54.203 54.840 -0.043 0.000 0.880 236 L CB 1.051 43.085 42.059 -0.043 0.000 1.192 236 L HN 0.316 nan 8.230 nan 0.000 0.463 237 V N 3.511 123.404 119.914 -0.036 0.000 2.381 237 V HA 0.127 4.246 4.120 -0.002 0.000 0.257 237 V C 0.788 176.863 176.094 -0.030 0.000 1.057 237 V CA -0.146 62.135 62.300 -0.031 0.000 1.013 237 V CB 0.117 31.924 31.823 -0.026 0.000 1.069 237 V HN 0.901 nan 8.190 nan 0.000 0.484 238 T N 2.124 116.659 114.554 -0.032 0.000 2.949 238 T HA 0.620 4.969 4.350 -0.002 0.000 0.287 238 T C -0.589 174.094 174.700 -0.030 0.000 1.034 238 T CA -0.800 61.279 62.100 -0.035 0.000 1.018 238 T CB 2.203 71.044 68.868 -0.044 0.000 1.135 238 T HN 0.496 nan 8.240 nan 0.000 0.532 239 Q N 0.625 120.406 119.800 -0.033 0.000 2.309 239 Q HA 0.561 4.900 4.340 -0.002 0.000 0.264 239 Q C -0.981 174.999 176.000 -0.032 0.000 1.008 239 Q CA -0.956 54.831 55.803 -0.027 0.000 0.853 239 Q CB 1.895 30.619 28.738 -0.023 0.000 1.314 239 Q HN 0.667 nan 8.270 nan 0.000 0.448 240 V N 3.653 123.554 119.914 -0.022 0.000 2.529 240 V HA -0.043 4.076 4.120 -0.002 0.000 0.292 240 V C 0.867 176.948 176.094 -0.022 0.000 1.028 240 V CA 0.677 62.965 62.300 -0.020 0.000 1.074 240 V CB 1.009 32.829 31.823 -0.006 0.000 0.958 240 V HN 0.937 nan 8.190 nan 0.000 0.481 241 E N 3.327 123.508 120.200 -0.031 0.000 2.121 241 E HA 0.103 4.452 4.350 -0.002 0.000 0.194 241 E C 0.330 176.930 176.600 -0.000 0.000 0.940 241 E CA -0.100 56.285 56.400 -0.025 0.000 0.884 241 E CB 0.394 30.062 29.700 -0.052 0.000 0.874 241 E HN 0.697 nan 8.360 nan 0.000 0.471 242 N N 1.124 119.830 118.700 0.011 0.000 2.434 242 N HA 0.177 4.916 4.740 -0.002 0.000 0.272 242 N C -0.073 175.456 175.510 0.032 0.000 1.040 242 N CA 0.027 53.099 53.050 0.038 0.000 0.956 242 N CB 1.564 40.098 38.487 0.079 0.000 1.108 242 N HN 0.154 nan 8.380 nan 0.000 0.481 243 G N 0.172 108.989 108.800 0.028 0.000 2.631 243 G HA2 0.520 4.479 3.960 -0.002 0.000 0.271 243 G HA3 0.520 4.479 3.960 -0.002 0.000 0.271 243 G C 0.179 175.099 174.900 0.034 0.000 1.302 243 G CA 0.104 45.219 45.100 0.026 0.000 1.002 243 G HN 0.690 nan 8.290 nan 0.000 0.519 244 G N -3.022 105.796 108.800 0.031 0.000 2.350 244 G HA2 0.417 4.375 3.960 -0.002 0.000 0.305 244 G HA3 0.417 4.375 3.960 -0.002 0.000 0.305 244 G C -1.294 173.625 174.900 0.032 0.000 1.479 244 G CA -0.409 44.711 45.100 0.033 0.000 0.949 244 G HN 1.044 nan 8.290 nan 0.000 0.651 245 V N 0.772 120.704 119.914 0.031 0.000 2.470 245 V HA 0.464 4.583 4.120 -0.002 0.000 0.276 245 V C 0.332 176.447 176.094 0.036 0.000 1.040 245 V CA -0.202 62.116 62.300 0.031 0.000 1.008 245 V CB 0.963 32.802 31.823 0.027 0.000 0.990 245 V HN 0.830 nan 8.190 nan 0.000 0.477 246 L N 6.160 127.406 121.223 0.038 0.000 2.296 246 L HA 0.866 5.205 4.340 -0.002 0.000 0.286 246 L C 0.477 177.375 176.870 0.045 0.000 1.023 246 L CA 0.460 55.326 54.840 0.044 0.000 0.812 246 L CB 1.187 43.275 42.059 0.047 0.000 1.223 246 L HN 0.619 nan 8.230 nan 0.000 0.421 247 G N 2.473 111.302 108.800 0.048 0.000 2.583 247 G HA2 0.422 4.381 3.960 -0.002 0.000 0.280 247 G HA3 0.422 4.381 3.960 -0.002 0.000 0.280 247 G C -0.876 174.059 174.900 0.058 0.000 1.376 247 G CA -0.684 44.445 45.100 0.048 0.000 1.043 247 G HN 0.610 nan 8.290 nan 0.000 0.538 248 S N 0.042 115.775 115.700 0.056 0.000 2.513 248 S HA 0.362 4.831 4.470 -0.002 0.000 0.276 248 S C 0.279 174.925 174.600 0.077 0.000 1.254 248 S CA -0.351 57.889 58.200 0.066 0.000 1.053 248 S CB 0.651 63.881 63.200 0.050 0.000 0.958 248 S HN 0.555 nan 8.310 nan 0.000 0.491 249 R N 0.927 121.487 120.500 0.100 0.000 3.205 249 R HA -0.179 4.160 4.340 -0.002 0.000 0.249 249 R C -0.606 175.748 176.300 0.090 0.000 0.937 249 R CA 0.591 56.755 56.100 0.107 0.000 0.641 249 R CB -1.665 28.694 30.300 0.099 0.000 1.114 249 R HN 0.497 nan 8.270 nan 0.000 0.451 250 K N -0.158 120.291 120.400 0.083 0.000 2.210 250 K HA 0.555 4.874 4.320 -0.002 0.000 0.236 250 K C 0.825 177.461 176.600 0.061 0.000 1.016 250 K CA -0.122 56.211 56.287 0.076 0.000 0.913 250 K CB 1.056 33.600 32.500 0.074 0.000 1.141 250 K HN 0.235 nan 8.250 nan 0.000 0.462 251 G N -0.025 108.813 108.800 0.063 0.000 2.476 251 G HA2 0.450 4.409 3.960 -0.002 0.000 0.269 251 G HA3 0.450 4.409 3.960 -0.002 0.000 0.269 251 G C -0.972 173.954 174.900 0.043 0.000 1.195 251 G CA -0.402 44.728 45.100 0.050 0.000 0.843 251 G HN 0.250 nan 8.290 nan 0.000 0.545 252 V N 2.238 122.160 119.914 0.013 0.000 2.680 252 V HA 0.496 4.615 4.120 -0.002 0.000 0.309 252 V C -0.408 175.690 176.094 0.007 0.000 1.052 252 V CA -1.051 61.252 62.300 0.006 0.000 0.908 252 V CB 1.950 33.740 31.823 -0.055 0.000 1.001 252 V HN 0.787 nan 8.190 nan 0.000 0.431 253 N N 3.437 122.174 118.700 0.062 0.000 2.262 253 N HA 0.671 5.410 4.740 -0.002 0.000 0.295 253 N C -1.524 174.025 175.510 0.066 0.000 1.161 253 N CA -0.578 52.509 53.050 0.063 0.000 0.767 253 N CB 3.006 41.563 38.487 0.117 0.000 1.499 253 N HN 0.451 nan 8.380 nan 0.000 0.476 254 L N 2.040 123.269 121.223 0.010 0.000 2.481 254 L HA 0.376 4.715 4.340 -0.002 0.000 0.255 254 L C -2.579 174.293 176.870 0.003 0.000 1.192 254 L CA -1.492 53.334 54.840 -0.022 0.000 0.924 254 L CB 1.436 43.423 42.059 -0.120 0.000 1.179 254 L HN 0.188 nan 8.230 nan 0.000 0.491 255 P HA 0.320 nan 4.420 nan 0.000 0.274 255 P C 0.964 178.269 177.300 0.008 0.000 1.231 255 P CA 0.414 63.549 63.100 0.058 0.000 0.790 255 P CB 1.388 33.160 31.700 0.120 0.000 0.951 256 G N 0.942 109.729 108.800 -0.022 0.000 4.148 256 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.221 256 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.221 256 G C 0.515 175.380 174.900 -0.058 0.000 1.373 256 G CA 0.185 45.247 45.100 -0.064 0.000 0.940 256 G HN 0.885 nan 8.290 nan 0.000 0.610 257 A N 2.135 124.932 122.820 -0.039 0.000 2.511 257 A HA 0.527 4.846 4.320 -0.002 0.000 0.242 257 A C 0.908 178.471 177.584 -0.034 0.000 1.069 257 A CA 1.026 53.042 52.037 -0.033 0.000 0.763 257 A CB 0.032 19.014 19.000 -0.029 0.000 1.001 257 A HN 1.174 nan 8.150 nan 0.000 0.498 258 Q N 1.099 120.886 119.800 -0.021 0.000 2.352 258 Q HA 0.481 4.820 4.340 -0.002 0.000 0.260 258 Q C -0.999 174.991 176.000 -0.017 0.000 0.976 258 Q CA -0.404 55.392 55.803 -0.012 0.000 0.881 258 Q CB 0.767 29.508 28.738 0.004 0.000 1.235 258 Q HN 0.314 nan 8.270 nan 0.000 0.419 259 V N 2.743 122.634 119.914 -0.039 0.000 2.487 259 V HA 0.061 4.180 4.120 -0.002 0.000 0.298 259 V C -0.094 175.997 176.094 -0.005 0.000 1.028 259 V CA -0.601 61.651 62.300 -0.080 0.000 0.860 259 V CB 1.480 33.161 31.823 -0.237 0.000 0.991 259 V HN 0.977 nan 8.190 nan 0.000 0.427 260 D N 2.906 123.356 120.400 0.083 0.000 2.327 260 D HA 0.032 4.671 4.640 -0.002 0.000 0.205 260 D C 0.910 177.251 176.300 0.067 0.000 0.989 260 D CA -0.296 53.749 54.000 0.075 0.000 0.873 260 D CB 0.049 40.899 40.800 0.083 0.000 0.955 260 D HN 0.313 nan 8.370 nan 0.000 0.515 261 L N 2.361 123.651 121.223 0.112 0.000 2.685 261 L HA 0.034 4.373 4.340 -0.002 0.000 0.305 261 L C -2.076 174.807 176.870 0.021 0.000 1.258 261 L CA -0.109 54.778 54.840 0.077 0.000 0.876 261 L CB -0.264 41.833 42.059 0.065 0.000 1.124 261 L HN 0.031 nan 8.230 nan 0.000 0.507 262 P HA 0.215 nan 4.420 nan 0.000 0.282 262 P C 0.306 177.614 177.300 0.015 0.000 1.249 262 P CA -0.401 62.710 63.100 0.019 0.000 0.806 262 P CB 0.990 32.703 31.700 0.022 0.000 0.984 263 G N 1.269 110.084 108.800 0.026 0.000 2.708 263 G HA2 0.087 4.045 3.960 -0.002 0.000 0.210 263 G HA3 0.087 4.045 3.960 -0.002 0.000 0.210 263 G C -0.050 174.877 174.900 0.045 0.000 1.141 263 G CA 0.494 45.620 45.100 0.044 0.000 0.788 263 G HN 0.406 nan 8.290 nan 0.000 0.531 264 L N 1.214 122.457 121.223 0.033 0.000 2.680 264 L HA 0.322 4.660 4.340 -0.002 0.000 0.260 264 L C 0.391 177.279 176.870 0.029 0.000 0.975 264 L CA -0.904 53.956 54.840 0.033 0.000 0.920 264 L CB 1.189 43.264 42.059 0.026 0.000 1.234 264 L HN 0.114 nan 8.230 nan 0.000 0.429 265 S N 1.261 116.981 115.700 0.033 0.000 2.626 265 S HA 0.241 4.710 4.470 -0.002 0.000 0.257 265 S C 1.030 175.652 174.600 0.036 0.000 1.288 265 S CA -0.059 58.161 58.200 0.033 0.000 0.980 265 S CB 0.675 63.896 63.200 0.035 0.000 0.975 265 S HN 0.642 nan 8.310 nan 0.000 0.577 266 E N -0.414 119.807 120.200 0.036 0.000 2.153 266 E HA -0.182 4.166 4.350 -0.002 0.000 0.194 266 E C 2.072 178.702 176.600 0.051 0.000 0.988 266 E CA 0.935 57.359 56.400 0.039 0.000 0.811 266 E CB -0.095 29.626 29.700 0.035 0.000 0.746 266 E HN 0.626 nan 8.360 nan 0.000 0.466 267 Q N 1.143 120.974 119.800 0.053 0.000 1.965 267 Q HA -0.174 4.165 4.340 -0.002 0.000 0.200 267 Q C 1.523 177.576 176.000 0.088 0.000 0.981 267 Q CA 1.876 57.721 55.803 0.070 0.000 0.834 267 Q CB -0.261 28.515 28.738 0.064 0.000 0.900 267 Q HN 0.271 nan 8.270 nan 0.000 0.426 268 D N -0.703 119.738 120.400 0.068 0.000 2.191 268 D HA -0.190 4.449 4.640 -0.002 0.000 0.195 268 D C 1.805 178.125 176.300 0.033 0.000 1.003 268 D CA 1.641 55.669 54.000 0.046 0.000 0.867 268 D CB 0.025 40.848 40.800 0.038 0.000 0.926 268 D HN 0.161 nan 8.370 nan 0.000 0.450 269 V N 0.890 120.832 119.914 0.046 0.000 2.358 269 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 269 V C 2.554 178.691 176.094 0.071 0.000 1.047 269 V CA 1.417 63.743 62.300 0.042 0.000 1.035 269 V CB -0.317 31.530 31.823 0.040 0.000 0.658 269 V HN 0.109 nan 8.190 nan 0.000 0.452 270 R N -0.298 120.271 120.500 0.115 0.000 2.092 270 R HA -0.147 4.192 4.340 -0.002 0.000 0.231 270 R C 2.062 178.529 176.300 0.279 0.000 1.119 270 R CA 1.677 57.900 56.100 0.204 0.000 0.970 270 R CB -0.352 30.081 30.300 0.222 0.000 0.864 270 R HN 0.535 nan 8.270 nan 0.000 0.440 271 D N 0.725 121.244 120.400 0.200 0.000 2.078 271 D HA -0.152 4.487 4.640 -0.002 0.000 0.193 271 D C 1.974 178.204 176.300 -0.117 0.000 0.990 271 D CA 1.169 55.193 54.000 0.040 0.000 0.827 271 D CB -0.313 40.411 40.800 -0.126 0.000 0.975 271 D HN 0.128 nan 8.370 nan 0.000 0.451 272 L N 0.573 121.739 121.223 -0.094 0.000 2.079 272 L HA -0.165 4.173 4.340 -0.002 0.000 0.210 272 L C 2.477 179.340 176.870 -0.011 0.000 1.081 272 L CA 0.985 55.774 54.840 -0.086 0.000 0.752 272 L CB -0.323 41.699 42.059 -0.062 0.000 0.896 272 L HN -0.064 nan 8.230 nan 0.000 0.433 273 R N -0.208 120.319 120.500 0.044 0.000 2.081 273 R HA -0.171 4.167 4.340 -0.002 0.000 0.235 273 R C 2.186 178.537 176.300 0.084 0.000 1.131 273 R CA 1.538 57.671 56.100 0.056 0.000 0.960 273 R CB -1.337 29.014 30.300 0.085 0.000 0.856 273 R HN 0.351 nan 8.270 nan 0.000 0.436 274 F N 1.361 121.290 119.950 -0.036 0.000 2.126 274 F HA -0.145 4.381 4.527 -0.002 0.000 0.299 274 F C 2.204 178.019 175.800 0.025 0.000 1.096 274 F CA 1.770 59.754 58.000 -0.026 0.000 1.255 274 F CB -0.568 38.235 39.000 -0.327 0.000 0.997 274 F HN 0.118 nan 8.300 nan 0.000 0.479 275 G N 0.320 109.249 108.800 0.216 0.000 2.513 275 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.219 275 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.219 275 G C 1.635 176.533 174.900 -0.003 0.000 1.160 275 G CA 1.539 46.690 45.100 0.086 0.000 0.767 275 G HN 0.374 nan 8.290 nan 0.000 0.571 276 V N 0.564 120.458 119.914 -0.032 0.000 2.379 276 V HA -0.113 4.006 4.120 -0.002 0.000 0.245 276 V C 2.631 178.668 176.094 -0.096 0.000 1.044 276 V CA 2.032 64.298 62.300 -0.057 0.000 1.036 276 V CB -0.498 31.293 31.823 -0.053 0.000 0.664 276 V HN 0.465 nan 8.190 nan 0.000 0.453 277 E N -0.468 119.644 120.200 -0.146 0.000 2.085 277 E HA -0.220 4.129 4.350 -0.002 0.000 0.194 277 E C 1.967 178.330 176.600 -0.396 0.000 0.994 277 E CA 1.463 57.693 56.400 -0.282 0.000 0.801 277 E CB -0.178 29.303 29.700 -0.365 0.000 0.743 277 E HN 0.705 nan 8.360 nan 0.000 0.453 278 H N -1.049 117.827 119.070 -0.322 0.000 2.539 278 H HA 0.142 4.696 4.556 -0.002 0.000 0.269 278 H C 0.862 176.115 175.328 -0.124 0.000 0.980 278 H CA 0.640 56.530 56.048 -0.262 0.000 1.152 278 H CB 0.924 30.448 29.762 -0.396 0.000 1.407 278 H HN 0.295 nan 8.280 nan 0.000 0.564 279 G N 2.161 110.947 108.800 -0.024 0.000 2.256 279 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.272 279 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.272 279 G C 0.607 175.515 174.900 0.013 0.000 1.076 279 G CA 0.376 45.470 45.100 -0.011 0.000 0.882 279 G HN 0.396 nan 8.290 nan 0.000 0.497 280 V N -3.025 116.899 119.914 0.017 0.000 3.332 280 V HA 0.490 4.609 4.120 -0.002 0.000 0.305 280 V C 1.083 177.161 176.094 -0.026 0.000 1.114 280 V CA 1.215 63.516 62.300 0.003 0.000 1.194 280 V CB 0.891 32.708 31.823 -0.009 0.000 1.027 280 V HN 0.212 nan 8.190 nan 0.000 0.492 281 D N 1.049 121.422 120.400 -0.045 0.000 2.423 281 D HA 0.417 5.056 4.640 -0.002 0.000 0.212 281 D C 0.022 176.271 176.300 -0.085 0.000 1.060 281 D CA 0.503 54.477 54.000 -0.044 0.000 0.872 281 D CB 0.376 41.164 40.800 -0.019 0.000 1.012 281 D HN 0.585 nan 8.370 nan 0.000 0.503 282 I N 0.442 120.917 120.570 -0.159 0.000 2.722 282 I HA 0.246 4.415 4.170 -0.002 0.000 0.292 282 I C -1.389 174.523 176.117 -0.341 0.000 1.267 282 I CA -0.968 60.184 61.300 -0.247 0.000 1.036 282 I CB 3.138 40.910 38.000 -0.379 0.000 1.281 282 I HN -0.370 nan 8.210 nan 0.000 0.423 283 V N 5.517 125.277 119.914 -0.256 0.000 2.448 283 V HA 0.437 4.556 4.120 -0.002 0.000 0.295 283 V C -0.832 175.201 176.094 -0.102 0.000 1.025 283 V CA -0.504 61.672 62.300 -0.208 0.000 0.859 283 V CB 1.531 33.292 31.823 -0.104 0.000 0.988 283 V HN 0.319 nan 8.190 nan 0.000 0.431 284 F N 3.478 123.416 119.950 -0.020 0.000 2.391 284 F HA 0.662 5.188 4.527 -0.002 0.000 0.359 284 F C 0.650 176.437 175.800 -0.022 0.000 1.122 284 F CA -1.251 56.739 58.000 -0.017 0.000 1.120 284 F CB 1.315 40.311 39.000 -0.007 0.000 1.142 284 F HN 0.503 nan 8.300 nan 0.000 0.483 285 A N 3.160 126.079 122.820 0.165 0.000 2.322 285 A HA 0.559 4.878 4.320 -0.002 0.000 0.327 285 A C 0.233 177.853 177.584 0.060 0.000 1.394 285 A CA -0.528 51.561 52.037 0.086 0.000 0.921 285 A CB -0.078 18.954 19.000 0.053 0.000 1.153 285 A HN 0.639 nan 8.150 nan 0.000 0.523 286 S N 1.038 116.779 115.700 0.068 0.000 2.559 286 S HA 0.236 4.705 4.470 -0.002 0.000 0.282 286 S C 0.296 174.978 174.600 0.136 0.000 1.336 286 S CA 0.254 58.468 58.200 0.023 0.000 1.037 286 S CB -0.417 62.877 63.200 0.157 0.000 0.853 286 S HN 0.818 nan 8.310 nan 0.000 0.523 287 F N -0.893 119.066 119.950 0.016 0.000 3.099 287 F HA -0.185 4.341 4.527 -0.002 0.000 0.276 287 F C 0.609 176.415 175.800 0.010 0.000 0.914 287 F CA -0.132 57.874 58.000 0.010 0.000 0.948 287 F CB -2.246 36.757 39.000 0.005 0.000 0.983 287 F HN 0.233 nan 8.300 nan 0.000 0.638 288 V N 0.995 120.967 119.914 0.096 0.000 2.539 288 V HA -0.120 3.999 4.120 -0.002 0.000 0.300 288 V C 1.408 177.544 176.094 0.070 0.000 1.019 288 V CA 0.964 63.305 62.300 0.068 0.000 1.160 288 V CB 0.869 32.705 31.823 0.021 0.000 0.901 288 V HN 0.363 nan 8.190 nan 0.000 0.481 289 R N 3.501 124.043 120.500 0.070 0.000 2.307 289 R HA 0.286 4.624 4.340 -0.002 0.000 0.200 289 R C 0.092 176.413 176.300 0.035 0.000 0.893 289 R CA 0.066 56.203 56.100 0.063 0.000 1.042 289 R CB 0.332 30.675 30.300 0.072 0.000 1.059 289 R HN 0.799 nan 8.270 nan 0.000 0.530 290 K N -2.044 118.367 120.400 0.019 0.000 2.642 290 K HA 0.509 4.827 4.320 -0.002 0.000 0.290 290 K C -0.089 176.505 176.600 -0.010 0.000 1.006 290 K CA -0.316 55.973 56.287 0.002 0.000 0.869 290 K CB 0.890 33.397 32.500 0.011 0.000 1.499 290 K HN -0.156 nan 8.250 nan 0.000 0.403 291 A N 1.152 123.959 122.820 -0.021 0.000 1.927 291 A HA -0.272 4.047 4.320 -0.002 0.000 0.220 291 A C 2.240 179.815 177.584 -0.014 0.000 1.185 291 A CA 2.922 54.943 52.037 -0.027 0.000 0.639 291 A CB -1.275 17.708 19.000 -0.027 0.000 0.820 291 A HN 0.924 nan 8.150 nan 0.000 0.451 292 S N -0.052 115.645 115.700 -0.005 0.000 2.402 292 S HA -0.249 4.219 4.470 -0.002 0.000 0.233 292 S C 1.440 176.042 174.600 0.003 0.000 1.030 292 S CA 1.871 60.071 58.200 0.001 0.000 1.003 292 S CB -0.620 62.584 63.200 0.006 0.000 0.813 292 S HN 0.522 nan 8.310 nan 0.000 0.477 293 D N 0.628 121.032 120.400 0.007 0.000 2.219 293 D HA -0.016 4.623 4.640 -0.002 0.000 0.205 293 D C 2.032 178.338 176.300 0.010 0.000 0.970 293 D CA 1.135 55.145 54.000 0.016 0.000 0.851 293 D CB -0.190 40.627 40.800 0.029 0.000 0.943 293 D HN 0.460 nan 8.370 nan 0.000 0.488 294 V N -0.115 119.798 119.914 -0.001 0.000 2.500 294 V HA 0.080 4.199 4.120 -0.002 0.000 0.243 294 V C 2.124 178.212 176.094 -0.009 0.000 1.039 294 V CA 1.490 63.786 62.300 -0.006 0.000 1.053 294 V CB -0.268 31.545 31.823 -0.016 0.000 0.695 294 V HN 0.094 nan 8.190 nan 0.000 0.463 295 A N 0.981 123.795 122.820 -0.009 0.000 1.915 295 A HA -0.243 4.076 4.320 -0.002 0.000 0.220 295 A C 2.566 180.145 177.584 -0.009 0.000 1.198 295 A CA 3.332 55.365 52.037 -0.008 0.000 0.647 295 A CB -1.479 17.518 19.000 -0.004 0.000 0.825 295 A HN 1.186 nan 8.150 nan 0.000 0.456 296 A N -0.689 122.130 122.820 -0.003 0.000 1.869 296 A HA -0.134 4.185 4.320 -0.002 0.000 0.218 296 A C 2.271 179.850 177.584 -0.009 0.000 1.203 296 A CA 2.491 54.527 52.037 -0.002 0.000 0.638 296 A CB -1.300 17.705 19.000 0.007 0.000 0.831 296 A HN 0.669 nan 8.150 nan 0.000 0.450 297 V N -0.322 119.586 119.914 -0.009 0.000 2.287 297 V HA -0.293 3.825 4.120 -0.002 0.000 0.248 297 V C 2.605 178.677 176.094 -0.036 0.000 1.053 297 V CA 2.454 64.743 62.300 -0.018 0.000 1.027 297 V CB -0.944 30.871 31.823 -0.013 0.000 0.646 297 V HN 0.601 nan 8.190 nan 0.000 0.447 298 R N 0.053 120.530 120.500 -0.038 0.000 2.082 298 R HA -0.190 4.149 4.340 -0.002 0.000 0.234 298 R C 2.381 178.633 176.300 -0.081 0.000 1.136 298 R CA 1.844 57.906 56.100 -0.063 0.000 0.935 298 R CB -0.766 29.507 30.300 -0.046 0.000 0.842 298 R HN 0.508 nan 8.270 nan 0.000 0.430 299 A N 0.672 123.460 122.820 -0.053 0.000 1.859 299 A HA -0.288 4.030 4.320 -0.002 0.000 0.218 299 A C 2.373 179.927 177.584 -0.050 0.000 1.242 299 A CA 2.502 54.511 52.037 -0.047 0.000 0.661 299 A CB -1.573 17.414 19.000 -0.023 0.000 0.842 299 A HN 0.569 nan 8.150 nan 0.000 0.455 300 A N -1.377 121.423 122.820 -0.033 0.000 1.940 300 A HA -0.198 4.121 4.320 -0.002 0.000 0.221 300 A C 2.062 179.622 177.584 -0.041 0.000 1.190 300 A CA 2.184 54.205 52.037 -0.026 0.000 0.647 300 A CB -0.737 18.255 19.000 -0.014 0.000 0.821 300 A HN 0.578 nan 8.150 nan 0.000 0.457 301 L N -1.535 119.651 121.223 -0.062 0.000 2.127 301 L HA 0.084 4.423 4.340 -0.002 0.000 0.211 301 L C 1.522 178.333 176.870 -0.098 0.000 1.089 301 L CA 1.548 56.340 54.840 -0.080 0.000 0.757 301 L CB -1.521 40.480 42.059 -0.097 0.000 0.899 301 L HN 0.919 nan 8.230 nan 0.000 0.434 302 G N -2.316 106.415 108.800 -0.115 0.000 2.795 302 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.664 302 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.664 302 G C -1.845 172.947 174.900 -0.180 0.000 1.381 302 G CA -0.281 44.754 45.100 -0.109 0.000 0.853 302 G HN 0.109 nan 8.290 nan 0.000 0.545 303 P HA 0.050 nan 4.420 nan 0.000 0.217 303 P C 1.437 178.725 177.300 -0.019 0.000 1.151 303 P CA 1.541 64.594 63.100 -0.079 0.000 0.828 303 P CB 0.007 31.731 31.700 0.041 0.000 0.788 304 E N -0.333 119.851 120.200 -0.026 0.000 2.501 304 E HA -0.045 4.304 4.350 -0.002 0.000 0.203 304 E C 1.117 177.701 176.600 -0.026 0.000 1.072 304 E CA 1.137 57.527 56.400 -0.015 0.000 0.885 304 E CB -0.746 28.937 29.700 -0.028 0.000 0.813 304 E HN 0.323 nan 8.360 nan 0.000 0.556 305 G N -0.116 108.646 108.800 -0.063 0.000 4.867 305 G HA2 0.130 4.089 3.960 -0.002 0.000 0.258 305 G HA3 0.130 4.089 3.960 -0.002 0.000 0.258 305 G C 0.154 175.003 174.900 -0.084 0.000 0.999 305 G CA -0.514 44.547 45.100 -0.065 0.000 0.797 305 G HN 0.132 nan 8.290 nan 0.000 0.505 306 H N 0.014 119.073 119.070 -0.018 0.000 2.457 306 H HA -0.019 4.535 4.556 -0.002 0.000 0.294 306 H C 2.655 177.972 175.328 -0.018 0.000 1.064 306 H CA 1.807 57.845 56.048 -0.017 0.000 1.330 306 H CB 0.558 30.310 29.762 -0.016 0.000 1.395 306 H HN 0.422 nan 8.280 nan 0.000 0.541 307 G N 0.752 109.610 108.800 0.097 0.000 2.422 307 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.218 307 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.218 307 G C 0.674 175.585 174.900 0.019 0.000 1.140 307 G CA 0.027 45.156 45.100 0.049 0.000 0.775 307 G HN 0.231 nan 8.290 nan 0.000 0.545 308 I N 1.589 122.159 120.570 -0.001 0.000 2.752 308 I HA 0.026 4.195 4.170 -0.002 0.000 0.289 308 I C 0.110 176.214 176.117 -0.021 0.000 1.197 308 I CA 0.147 61.433 61.300 -0.024 0.000 1.432 308 I CB 0.525 38.498 38.000 -0.045 0.000 1.359 308 I HN 0.007 nan 8.210 nan 0.000 0.571 309 K N 7.329 127.712 120.400 -0.028 0.000 2.174 309 K HA 0.547 4.866 4.320 -0.002 0.000 0.275 309 K C -0.387 176.198 176.600 -0.026 0.000 1.015 309 K CA -0.451 55.826 56.287 -0.017 0.000 0.933 309 K CB 1.721 34.218 32.500 -0.006 0.000 1.025 309 K HN 0.493 nan 8.250 nan 0.000 0.463 310 I N 4.015 124.583 120.570 -0.003 0.000 2.389 310 I HA 0.267 4.436 4.170 -0.002 0.000 0.288 310 I C -0.364 175.780 176.117 0.045 0.000 0.999 310 I CA -0.866 60.438 61.300 0.007 0.000 1.129 310 I CB 1.345 39.343 38.000 -0.003 0.000 1.288 310 I HN 0.229 nan 8.210 nan 0.000 0.444 311 I N 4.966 125.601 120.570 0.108 0.000 2.355 311 I HA 0.235 4.404 4.170 -0.002 0.000 0.288 311 I C 0.281 176.476 176.117 0.130 0.000 0.999 311 I CA -0.289 61.113 61.300 0.169 0.000 1.163 311 I CB 1.478 39.718 38.000 0.399 0.000 1.316 311 I HN 0.453 nan 8.210 nan 0.000 0.454 312 S N 6.824 122.554 115.700 0.051 0.000 2.499 312 S HA 0.274 4.743 4.470 -0.002 0.000 0.275 312 S C 0.203 174.804 174.600 0.003 0.000 1.257 312 S CA -0.654 57.556 58.200 0.018 0.000 1.050 312 S CB 0.579 63.763 63.200 -0.027 0.000 0.937 312 S HN 0.350 nan 8.310 nan 0.000 0.490 313 K N 2.949 123.337 120.400 -0.020 0.000 2.248 313 K HA 0.312 4.631 4.320 -0.002 0.000 0.281 313 K C -0.609 175.938 176.600 -0.088 0.000 1.054 313 K CA -0.530 55.707 56.287 -0.084 0.000 0.903 313 K CB 0.652 33.064 32.500 -0.145 0.000 1.077 313 K HN 0.429 nan 8.250 nan 0.000 0.474 314 I N 3.902 124.438 120.570 -0.057 0.000 2.308 314 I HA 0.042 4.211 4.170 -0.002 0.000 0.293 314 I C 0.760 176.818 176.117 -0.098 0.000 1.078 314 I CA 0.361 61.643 61.300 -0.029 0.000 1.292 314 I CB 0.197 38.236 38.000 0.066 0.000 1.423 314 I HN 0.694 nan 8.210 nan 0.000 0.493 315 E N 4.679 124.794 120.200 -0.142 0.000 2.603 315 E HA 0.099 4.447 4.350 -0.002 0.000 0.211 315 E C -0.469 176.113 176.600 -0.029 0.000 0.995 315 E CA -0.133 56.140 56.400 -0.211 0.000 0.990 315 E CB 0.501 29.798 29.700 -0.672 0.000 1.036 315 E HN 0.772 nan 8.360 nan 0.000 0.475 316 N N -1.610 117.113 118.700 0.039 0.000 3.185 316 N HA -0.042 4.697 4.740 -0.002 0.000 0.238 316 N C 0.346 175.910 175.510 0.090 0.000 1.451 316 N CA -0.671 52.439 53.050 0.100 0.000 0.888 316 N CB 0.381 38.975 38.487 0.179 0.000 1.413 316 N HN -0.222 nan 8.380 nan 0.000 0.511 317 H N -0.048 119.042 119.070 0.035 0.000 2.321 317 H HA -0.198 4.357 4.556 -0.002 0.000 0.295 317 H C 1.115 176.460 175.328 0.029 0.000 1.102 317 H CA 2.745 58.806 56.048 0.022 0.000 1.266 317 H CB 0.248 30.021 29.762 0.018 0.000 1.363 317 H HN 0.830 nan 8.280 nan 0.000 0.492 318 E N -0.427 119.895 120.200 0.204 0.000 2.047 318 E HA -0.100 4.249 4.350 -0.002 0.000 0.191 318 E C 2.564 179.206 176.600 0.071 0.000 0.987 318 E CA 1.020 57.513 56.400 0.154 0.000 0.799 318 E CB -0.470 29.308 29.700 0.129 0.000 0.752 318 E HN 0.537 nan 8.360 nan 0.000 0.449 319 G N 0.809 109.649 108.800 0.068 0.000 2.476 319 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.218 319 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.218 319 G C 1.675 176.614 174.900 0.066 0.000 1.164 319 G CA 1.230 46.365 45.100 0.059 0.000 0.768 319 G HN 0.262 nan 8.290 nan 0.000 0.560 320 V N 0.818 120.736 119.914 0.006 0.000 2.255 320 V HA -0.182 3.937 4.120 -0.002 0.000 0.247 320 V C 2.896 178.977 176.094 -0.021 0.000 1.051 320 V CA 2.126 64.406 62.300 -0.033 0.000 1.018 320 V CB -0.361 31.348 31.823 -0.190 0.000 0.641 320 V HN 0.206 nan 8.190 nan 0.000 0.445 321 K N 0.270 120.617 120.400 -0.087 0.000 2.152 321 K HA -0.101 4.217 4.320 -0.002 0.000 0.206 321 K C 1.706 178.326 176.600 0.034 0.000 1.048 321 K CA 1.323 57.590 56.287 -0.034 0.000 0.933 321 K CB -0.281 32.229 32.500 0.016 0.000 0.721 321 K HN 0.498 nan 8.250 nan 0.000 0.447 322 R N -0.595 119.935 120.500 0.051 0.000 2.694 322 R HA 0.118 4.457 4.340 -0.002 0.000 0.334 322 R C 1.238 177.564 176.300 0.043 0.000 1.143 322 R CA -0.353 55.773 56.100 0.044 0.000 1.073 322 R CB -0.210 30.105 30.300 0.026 0.000 1.366 322 R HN 0.024 nan 8.270 nan 0.000 0.577 323 F N 2.494 122.420 119.950 -0.040 0.000 2.043 323 F HA -0.283 4.243 4.527 -0.002 0.000 0.297 323 F C 1.693 177.475 175.800 -0.030 0.000 1.121 323 F CA 1.955 59.931 58.000 -0.041 0.000 1.199 323 F CB 0.116 39.083 39.000 -0.056 0.000 0.968 323 F HN 0.060 nan 8.300 nan 0.000 0.478 324 D N 0.398 120.846 120.400 0.080 0.000 2.154 324 D HA -0.304 4.335 4.640 -0.002 0.000 0.190 324 D C 2.061 178.275 176.300 -0.144 0.000 1.003 324 D CA 2.203 56.189 54.000 -0.024 0.000 0.849 324 D CB -0.796 40.033 40.800 0.048 0.000 0.942 324 D HN 0.707 nan 8.370 nan 0.000 0.446 325 E N 0.840 120.981 120.200 -0.098 0.000 2.106 325 E HA -0.124 4.224 4.350 -0.002 0.000 0.192 325 E C 2.413 178.931 176.600 -0.136 0.000 0.984 325 E CA 0.691 57.038 56.400 -0.089 0.000 0.806 325 E CB -0.464 29.208 29.700 -0.046 0.000 0.750 325 E HN 0.310 nan 8.360 nan 0.000 0.458 326 I N 1.082 121.534 120.570 -0.196 0.000 2.226 326 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 326 I C 2.727 178.669 176.117 -0.292 0.000 1.100 326 I CA 0.943 62.108 61.300 -0.224 0.000 1.374 326 I CB -0.418 37.428 38.000 -0.255 0.000 1.057 326 I HN 0.235 nan 8.210 nan 0.000 0.413 327 L N 0.928 121.864 121.223 -0.478 0.000 1.994 327 L HA -0.252 4.087 4.340 -0.002 0.000 0.208 327 L C 2.536 179.284 176.870 -0.203 0.000 1.071 327 L CA 1.744 56.331 54.840 -0.421 0.000 0.745 327 L CB -0.438 41.305 42.059 -0.526 0.000 0.892 327 L HN 0.314 nan 8.230 nan 0.000 0.431 328 E N -1.073 119.032 120.200 -0.159 0.000 2.301 328 E HA -0.251 4.098 4.350 -0.002 0.000 0.202 328 E C 1.787 178.346 176.600 -0.069 0.000 1.017 328 E CA 1.407 57.754 56.400 -0.088 0.000 0.831 328 E CB 0.199 29.858 29.700 -0.068 0.000 0.742 328 E HN 0.378 nan 8.360 nan 0.000 0.491 329 V N -0.801 119.065 119.914 -0.081 0.000 3.473 329 V HA 0.044 4.162 4.120 -0.002 0.000 0.253 329 V C 0.395 176.459 176.094 -0.049 0.000 1.340 329 V CA 0.190 62.457 62.300 -0.055 0.000 1.103 329 V CB 1.186 32.979 31.823 -0.051 0.000 0.881 329 V HN 0.022 nan 8.190 nan 0.000 0.451 330 S N 0.876 116.534 115.700 -0.070 0.000 2.603 330 S HA 0.130 4.598 4.470 -0.002 0.000 0.268 330 S C 0.721 175.301 174.600 -0.032 0.000 1.317 330 S CA -0.361 57.810 58.200 -0.049 0.000 1.012 330 S CB 0.821 63.981 63.200 -0.067 0.000 0.926 330 S HN 0.374 nan 8.310 nan 0.000 0.539 331 D N 0.580 120.975 120.400 -0.009 0.000 2.289 331 D HA 0.190 4.829 4.640 -0.002 0.000 0.207 331 D C 0.964 177.270 176.300 0.011 0.000 0.966 331 D CA 0.713 54.715 54.000 0.002 0.000 0.868 331 D CB 0.227 41.034 40.800 0.012 0.000 0.943 331 D HN 0.650 nan 8.370 nan 0.000 0.514 332 G N -0.432 108.380 108.800 0.020 0.000 2.570 332 G HA2 0.448 4.406 3.960 -0.002 0.000 0.310 332 G HA3 0.448 4.406 3.960 -0.002 0.000 0.310 332 G C -1.739 173.180 174.900 0.033 0.000 1.266 332 G CA -0.504 44.614 45.100 0.030 0.000 0.825 332 G HN -0.076 nan 8.290 nan 0.000 0.483 333 I N 0.582 121.185 120.570 0.056 0.000 2.730 333 I HA 0.556 4.725 4.170 -0.002 0.000 0.298 333 I C -0.411 175.721 176.117 0.024 0.000 1.089 333 I CA -0.845 60.494 61.300 0.064 0.000 1.041 333 I CB 1.871 39.980 38.000 0.183 0.000 1.235 333 I HN 0.634 nan 8.210 nan 0.000 0.423 334 M N 5.697 125.282 119.600 -0.025 0.000 2.181 334 M HA 0.429 4.907 4.480 -0.002 0.000 0.323 334 M C -1.331 174.918 176.300 -0.086 0.000 1.004 334 M CA -0.690 54.540 55.300 -0.117 0.000 0.941 334 M CB 1.383 33.817 32.600 -0.277 0.000 1.579 334 M HN 0.253 nan 8.290 nan 0.000 0.427 335 V N 5.552 125.419 119.914 -0.079 0.000 2.364 335 V HA 0.151 4.270 4.120 -0.002 0.000 0.252 335 V C 0.813 176.846 176.094 -0.103 0.000 1.075 335 V CA -0.097 62.159 62.300 -0.074 0.000 1.033 335 V CB 0.010 31.792 31.823 -0.069 0.000 1.116 335 V HN 0.900 nan 8.190 nan 0.000 0.488 336 A N 5.615 128.363 122.820 -0.120 0.000 3.048 336 A HA 0.207 4.526 4.320 -0.002 0.000 0.264 336 A C 1.651 179.166 177.584 -0.114 0.000 1.796 336 A CA -0.241 51.709 52.037 -0.146 0.000 1.445 336 A CB -0.585 18.291 19.000 -0.207 0.000 1.074 336 A HN 0.866 nan 8.150 nan 0.000 0.621 337 R N 0.746 121.194 120.500 -0.087 0.000 2.170 337 R HA -0.184 4.155 4.340 -0.002 0.000 0.242 337 R C 2.223 178.486 176.300 -0.062 0.000 1.145 337 R CA 1.627 57.688 56.100 -0.064 0.000 0.984 337 R CB -0.256 30.017 30.300 -0.046 0.000 0.869 337 R HN 0.683 nan 8.270 nan 0.000 0.455 338 G N 1.130 109.890 108.800 -0.067 0.000 2.736 338 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.214 338 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.214 338 G C 0.878 175.748 174.900 -0.050 0.000 1.327 338 G CA 1.080 46.150 45.100 -0.051 0.000 0.818 338 G HN 0.186 nan 8.290 nan 0.000 0.611 339 D N 0.203 120.570 120.400 -0.055 0.000 2.126 339 D HA -0.151 4.488 4.640 -0.002 0.000 0.190 339 D C 2.455 178.742 176.300 -0.022 0.000 1.001 339 D CA 1.216 55.207 54.000 -0.016 0.000 0.841 339 D CB -0.421 40.334 40.800 -0.075 0.000 0.949 339 D HN 0.128 nan 8.370 nan 0.000 0.446 340 L N 1.094 122.283 121.223 -0.058 0.000 2.089 340 L HA -0.113 4.226 4.340 -0.002 0.000 0.213 340 L C 2.162 179.010 176.870 -0.036 0.000 1.079 340 L CA 2.076 56.891 54.840 -0.042 0.000 0.758 340 L CB -0.930 41.091 42.059 -0.063 0.000 0.891 340 L HN 0.062 nan 8.230 nan 0.000 0.433 341 G N -1.778 106.991 108.800 -0.052 0.000 2.848 341 G HA2 0.003 3.962 3.960 -0.002 0.000 0.208 341 G HA3 0.003 3.962 3.960 -0.002 0.000 0.208 341 G C 1.338 176.172 174.900 -0.110 0.000 1.152 341 G CA 0.680 45.742 45.100 -0.062 0.000 0.789 341 G HN 0.512 nan 8.290 nan 0.000 0.531 342 I N -1.145 119.359 120.570 -0.110 0.000 3.971 342 I HA 0.134 4.303 4.170 -0.002 0.000 0.303 342 I C 2.007 178.080 176.117 -0.073 0.000 1.233 342 I CA 0.011 61.185 61.300 -0.210 0.000 1.346 342 I CB 0.250 38.122 38.000 -0.215 0.000 1.273 342 I HN -0.066 nan 8.210 nan 0.000 0.448 343 E N 2.107 122.316 120.200 0.014 0.000 2.150 343 E HA 0.008 4.357 4.350 -0.002 0.000 0.193 343 E C 0.732 177.381 176.600 0.082 0.000 0.985 343 E CA 0.942 57.386 56.400 0.075 0.000 0.814 343 E CB 0.238 29.999 29.700 0.102 0.000 0.752 343 E HN 0.548 nan 8.360 nan 0.000 0.466 344 I N -2.250 118.352 120.570 0.054 0.000 2.785 344 I HA 0.465 4.634 4.170 -0.002 0.000 0.302 344 I C -2.796 173.341 176.117 0.033 0.000 1.069 344 I CA -3.126 58.214 61.300 0.067 0.000 1.045 344 I CB 2.126 40.170 38.000 0.073 0.000 1.236 344 I HN -0.370 nan 8.210 nan 0.000 0.429 345 P HA 0.072 nan 4.420 nan 0.000 0.265 345 P C 0.600 177.912 177.300 0.021 0.000 1.193 345 P CA 0.088 63.210 63.100 0.037 0.000 0.765 345 P CB 1.049 32.777 31.700 0.048 0.000 0.823 346 A N 4.022 126.847 122.820 0.010 0.000 1.927 346 A HA -0.282 4.037 4.320 -0.002 0.000 0.220 346 A C 1.698 179.319 177.584 0.062 0.000 1.185 346 A CA 1.926 53.973 52.037 0.016 0.000 0.639 346 A CB -1.192 17.809 19.000 0.002 0.000 0.820 346 A HN 0.583 nan 8.150 nan 0.000 0.451 347 E N -0.090 120.157 120.200 0.078 0.000 2.393 347 E HA -0.152 4.196 4.350 -0.002 0.000 0.201 347 E C 1.659 178.379 176.600 0.200 0.000 1.025 347 E CA 1.446 57.932 56.400 0.144 0.000 0.856 347 E CB -0.143 29.630 29.700 0.122 0.000 0.771 347 E HN 0.710 nan 8.360 nan 0.000 0.526 348 K N -0.528 119.916 120.400 0.073 0.000 2.365 348 K HA 0.119 4.438 4.320 -0.002 0.000 0.195 348 K C 1.806 178.312 176.600 -0.157 0.000 1.079 348 K CA 0.287 56.531 56.287 -0.070 0.000 0.979 348 K CB 0.528 32.990 32.500 -0.063 0.000 0.929 348 K HN -0.041 nan 8.250 nan 0.000 0.523 349 V N 2.740 122.634 119.914 -0.032 0.000 2.233 349 V HA -0.364 3.755 4.120 -0.002 0.000 0.252 349 V C 2.228 178.277 176.094 -0.076 0.000 1.063 349 V CA 2.497 64.770 62.300 -0.045 0.000 1.032 349 V CB -1.028 30.802 31.823 0.012 0.000 0.645 349 V HN 0.356 nan 8.190 nan 0.000 0.446 350 F N 1.084 121.005 119.950 -0.049 0.000 2.085 350 F HA -0.269 4.256 4.527 -0.003 0.000 0.299 350 F C 2.050 177.812 175.800 -0.063 0.000 1.096 350 F CA 2.107 60.077 58.000 -0.050 0.000 1.227 350 F CB -1.355 37.623 39.000 -0.037 0.000 0.983 350 F HN 0.114 nan 8.300 nan 0.000 0.482 351 L N 0.648 121.229 121.223 -1.069 0.000 2.042 351 L HA -0.175 4.163 4.340 -0.002 0.000 0.210 351 L C 3.047 179.697 176.870 -0.367 0.000 1.076 351 L CA 1.299 55.706 54.840 -0.722 0.000 0.749 351 L CB -1.395 40.225 42.059 -0.731 0.000 0.893 351 L HN 0.423 nan 8.230 nan 0.000 0.432 352 A N -0.024 122.610 122.820 -0.310 0.000 1.841 352 A HA -0.329 3.990 4.320 -0.002 0.000 0.216 352 A C 2.281 179.732 177.584 -0.220 0.000 1.199 352 A CA 2.049 53.940 52.037 -0.244 0.000 0.621 352 A CB -0.924 17.962 19.000 -0.190 0.000 0.835 352 A HN 0.501 nan 8.150 nan 0.000 0.445 353 Q N -0.215 119.493 119.800 -0.152 0.000 2.118 353 Q HA -0.296 4.043 4.340 -0.002 0.000 0.211 353 Q C 1.984 177.915 176.000 -0.115 0.000 0.998 353 Q CA 2.475 58.213 55.803 -0.108 0.000 0.872 353 Q CB -0.221 28.492 28.738 -0.041 0.000 0.925 353 Q HN 0.686 nan 8.270 nan 0.000 0.414 354 K N -0.289 120.048 120.400 -0.104 0.000 2.097 354 K HA -0.113 4.205 4.320 -0.002 0.000 0.205 354 K C 2.219 178.735 176.600 -0.140 0.000 1.050 354 K CA 1.255 57.492 56.287 -0.083 0.000 0.938 354 K CB -0.206 32.279 32.500 -0.024 0.000 0.718 354 K HN 0.371 nan 8.250 nan 0.000 0.442 355 M N 0.854 120.331 119.600 -0.204 0.000 2.067 355 M HA -0.157 4.321 4.480 -0.002 0.000 0.260 355 M C 1.997 178.090 176.300 -0.345 0.000 1.069 355 M CA 1.778 56.924 55.300 -0.256 0.000 1.117 355 M CB -0.223 32.201 32.600 -0.293 0.000 1.334 355 M HN 0.175 nan 8.290 nan 0.000 0.407 356 M N -0.100 119.243 119.600 -0.428 0.000 2.086 356 M HA -0.212 4.266 4.480 -0.002 0.000 0.261 356 M C 2.158 178.291 176.300 -0.279 0.000 1.067 356 M CA 1.526 56.453 55.300 -0.621 0.000 1.116 356 M CB -0.606 31.655 32.600 -0.566 0.000 1.348 356 M HN 0.272 nan 8.290 nan 0.000 0.407 357 I N 0.179 120.654 120.570 -0.158 0.000 2.127 357 I HA -0.240 3.929 4.170 -0.002 0.000 0.241 357 I C 2.673 178.753 176.117 -0.062 0.000 1.075 357 I CA 1.587 62.843 61.300 -0.072 0.000 1.334 357 I CB -1.275 36.691 38.000 -0.056 0.000 1.040 357 I HN 0.385 nan 8.210 nan 0.000 0.405 358 G N 0.604 109.351 108.800 -0.088 0.000 2.574 358 G HA2 -0.337 3.621 3.960 -0.002 0.000 0.220 358 G HA3 -0.337 3.621 3.960 -0.002 0.000 0.220 358 G C 1.799 176.670 174.900 -0.048 0.000 1.173 358 G CA 1.233 46.291 45.100 -0.071 0.000 0.772 358 G HN 0.276 nan 8.290 nan 0.000 0.585 359 R N -0.850 119.611 120.500 -0.064 0.000 2.062 359 R HA -0.005 4.333 4.340 -0.002 0.000 0.231 359 R C 2.841 179.193 176.300 0.087 0.000 1.136 359 R CA 1.411 57.520 56.100 0.016 0.000 0.948 359 R CB -0.864 29.446 30.300 0.016 0.000 0.845 359 R HN 0.403 nan 8.270 nan 0.000 0.430 360 C N 0.510 119.883 119.300 0.122 0.000 2.391 360 C HA -0.163 4.296 4.460 -0.002 0.000 0.276 360 C C 2.239 177.249 174.990 0.034 0.000 1.217 360 C CA 1.079 60.160 59.018 0.106 0.000 1.766 360 C CB -1.339 26.460 27.740 0.099 0.000 2.046 360 C HN 0.593 nan 8.230 nan 0.000 0.475 361 N N 0.197 118.903 118.700 0.009 0.000 2.058 361 N HA -0.147 4.591 4.740 -0.002 0.000 0.191 361 N C 1.680 177.175 175.510 -0.025 0.000 1.037 361 N CA 1.123 54.166 53.050 -0.012 0.000 0.848 361 N CB -0.285 38.193 38.487 -0.015 0.000 1.021 361 N HN 0.380 nan 8.380 nan 0.000 0.422 362 L N 1.168 122.381 121.223 -0.016 0.000 2.051 362 L HA -0.245 4.094 4.340 -0.002 0.000 0.214 362 L C 2.153 179.009 176.870 -0.023 0.000 1.076 362 L CA 1.631 56.459 54.840 -0.019 0.000 0.758 362 L CB -0.257 41.799 42.059 -0.005 0.000 0.890 362 L HN 0.164 nan 8.230 nan 0.000 0.433 363 A N -1.460 121.358 122.820 -0.003 0.000 2.123 363 A HA 0.264 4.583 4.320 -0.002 0.000 0.214 363 A C 1.646 179.212 177.584 -0.030 0.000 1.152 363 A CA 0.719 52.753 52.037 -0.005 0.000 0.728 363 A CB -0.607 18.407 19.000 0.023 0.000 0.814 363 A HN 0.696 nan 8.150 nan 0.000 0.464 364 G N -0.477 108.295 108.800 -0.048 0.000 2.198 364 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.257 364 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.257 364 G C -0.079 174.800 174.900 -0.034 0.000 1.042 364 G CA 0.558 45.617 45.100 -0.068 0.000 0.791 364 G HN 0.585 nan 8.290 nan 0.000 0.502 365 K N 0.080 120.474 120.400 -0.010 0.000 2.324 365 K HA 0.468 4.787 4.320 -0.002 0.000 0.253 365 K C -2.778 173.833 176.600 0.018 0.000 0.932 365 K CA -2.241 54.048 56.287 0.003 0.000 0.799 365 K CB 2.527 35.031 32.500 0.006 0.000 1.154 365 K HN -0.084 nan 8.250 nan 0.000 0.425 366 P HA -0.101 nan 4.420 nan 0.000 0.264 366 P C -0.949 176.375 177.300 0.041 0.000 1.179 366 P CA -0.136 62.982 63.100 0.031 0.000 0.763 366 P CB 0.525 32.253 31.700 0.046 0.000 0.806 367 V N 4.500 124.433 119.914 0.032 0.000 2.638 367 V HA 0.397 4.516 4.120 -0.002 0.000 0.306 367 V C -0.961 175.135 176.094 0.005 0.000 1.052 367 V CA -0.803 61.515 62.300 0.030 0.000 0.885 367 V CB 2.317 34.160 31.823 0.033 0.000 0.999 367 V HN 0.133 nan 8.190 nan 0.000 0.424 368 V N 6.208 126.108 119.914 -0.023 0.000 2.394 368 V HA 0.385 4.504 4.120 -0.002 0.000 0.282 368 V C 0.428 176.476 176.094 -0.076 0.000 1.031 368 V CA -0.530 61.732 62.300 -0.063 0.000 0.881 368 V CB 1.233 32.965 31.823 -0.152 0.000 0.982 368 V HN 1.051 nan 8.190 nan 0.000 0.451 369 C N 5.505 124.771 119.300 -0.057 0.000 2.527 369 C HA 0.825 5.284 4.460 -0.002 0.000 0.396 369 C C 0.524 175.473 174.990 -0.069 0.000 1.289 369 C CA 0.130 59.114 59.018 -0.057 0.000 2.047 369 C CB -0.649 27.071 27.740 -0.033 0.000 2.568 369 C HN 1.136 nan 8.230 nan 0.000 0.573 370 A N 4.310 127.085 122.820 -0.075 0.000 2.572 370 A HA 0.845 5.164 4.320 -0.002 0.000 0.295 370 A C -0.230 177.318 177.584 -0.060 0.000 1.072 370 A CA -0.095 51.892 52.037 -0.082 0.000 0.691 370 A CB 1.056 19.974 19.000 -0.136 0.000 1.291 370 A HN 1.429 nan 8.150 nan 0.000 0.404 371 T N 1.505 116.033 114.554 -0.043 0.000 0.643 371 T HA -0.075 4.274 4.350 -0.002 0.000 0.764 371 T C 0.103 174.792 174.700 -0.018 0.000 0.990 371 T CA 0.842 62.924 62.100 -0.030 0.000 4.027 371 T CB -1.280 67.563 68.868 -0.042 0.000 2.276 371 T HN 1.629 nan 8.240 nan 0.000 0.395 372 Q N 0.054 119.851 119.800 -0.006 0.000 2.460 372 Q HA -0.243 4.096 4.340 -0.002 0.000 0.248 372 Q C 1.503 177.502 176.000 -0.002 0.000 0.847 372 Q CA 1.475 57.277 55.803 -0.002 0.000 1.214 372 Q CB -1.127 27.607 28.738 -0.006 0.000 1.523 372 Q HN 0.856 nan 8.270 nan 0.000 0.602 373 M N -0.819 118.780 119.600 -0.002 0.000 2.296 373 M HA -0.115 4.364 4.480 -0.002 0.000 0.265 373 M C 0.664 176.967 176.300 0.004 0.000 1.064 373 M CA 1.192 56.492 55.300 -0.001 0.000 1.109 373 M CB 0.201 32.801 32.600 -0.001 0.000 1.396 373 M HN 0.127 nan 8.290 nan 0.000 0.430 374 L N -0.724 120.505 121.223 0.009 0.000 3.425 374 L HA 0.187 4.526 4.340 -0.002 0.000 0.330 374 L C 1.151 178.033 176.870 0.019 0.000 1.317 374 L CA 0.184 55.032 54.840 0.012 0.000 0.940 374 L CB 0.029 42.099 42.059 0.018 0.000 1.378 374 L HN 0.060 nan 8.230 nan 0.000 0.611 375 E N -0.215 119.996 120.200 0.017 0.000 2.118 375 E HA -0.217 4.132 4.350 -0.002 0.000 0.195 375 E C 1.977 178.596 176.600 0.032 0.000 0.992 375 E CA 1.535 57.950 56.400 0.025 0.000 0.804 375 E CB 0.269 29.981 29.700 0.019 0.000 0.741 375 E HN 0.598 nan 8.360 nan 0.000 0.458 376 S N 0.842 116.555 115.700 0.021 0.000 2.400 376 S HA -0.165 4.304 4.470 -0.002 0.000 0.232 376 S C 1.969 176.591 174.600 0.038 0.000 1.025 376 S CA 1.005 59.218 58.200 0.022 0.000 0.993 376 S CB -0.343 62.860 63.200 0.004 0.000 0.808 376 S HN 0.209 nan 8.310 nan 0.000 0.478 377 M N 0.575 120.197 119.600 0.037 0.000 2.632 377 M HA 0.161 4.640 4.480 -0.002 0.000 0.256 377 M C 1.517 177.925 176.300 0.181 0.000 1.080 377 M CA 0.706 56.046 55.300 0.067 0.000 1.084 377 M CB -0.641 31.980 32.600 0.034 0.000 1.439 377 M HN 0.348 nan 8.290 nan 0.000 0.509 378 I N -0.344 120.304 120.570 0.129 0.000 2.850 378 I HA -0.212 3.957 4.170 -0.002 0.000 0.266 378 I C 1.675 177.889 176.117 0.162 0.000 1.257 378 I CA 1.036 62.410 61.300 0.124 0.000 1.465 378 I CB -0.175 37.866 38.000 0.068 0.000 1.091 378 I HN 0.277 nan 8.210 nan 0.000 0.467 379 T N -1.289 113.395 114.554 0.218 0.000 3.074 379 T HA 0.204 4.552 4.350 -0.002 0.000 0.258 379 T C 0.205 175.090 174.700 0.307 0.000 0.891 379 T CA -0.093 62.133 62.100 0.210 0.000 0.867 379 T CB 0.658 69.591 68.868 0.108 0.000 1.261 379 T HN 0.045 nan 8.240 nan 0.000 0.537 380 K N 1.353 121.883 120.400 0.216 0.000 2.435 380 K HA 0.445 4.764 4.320 -0.002 0.000 0.251 380 K C -2.473 173.811 176.600 -0.527 0.000 0.954 380 K CA -2.103 54.170 56.287 -0.024 0.000 0.820 380 K CB 2.326 34.803 32.500 -0.037 0.000 1.292 380 K HN -0.261 nan 8.250 nan 0.000 0.436 381 P HA 0.052 nan 4.420 nan 0.000 0.245 381 P C -0.568 176.430 177.300 -0.503 0.000 1.206 381 P CA 0.377 62.776 63.100 -1.169 0.000 0.781 381 P CB 0.516 31.709 31.700 -0.844 0.000 0.994 382 R N 0.432 120.750 120.500 -0.302 0.000 2.621 382 R HA 0.488 4.827 4.340 -0.002 0.000 0.292 382 R C -2.797 173.438 176.300 -0.109 0.000 0.969 382 R CA -2.481 53.521 56.100 -0.163 0.000 0.887 382 R CB 0.726 30.956 30.300 -0.118 0.000 1.180 382 R HN -0.028 nan 8.270 nan 0.000 0.450 383 P HA 0.293 nan 4.420 nan 0.000 0.276 383 P C -0.080 177.198 177.300 -0.036 0.000 1.244 383 P CA -0.466 62.607 63.100 -0.045 0.000 0.801 383 P CB 0.737 32.419 31.700 -0.030 0.000 1.006 384 M N 1.557 121.141 119.600 -0.026 0.000 2.163 384 M HA 0.203 4.682 4.480 -0.002 0.000 0.305 384 M C 1.742 178.030 176.300 -0.020 0.000 1.166 384 M CA -0.470 54.817 55.300 -0.022 0.000 1.132 384 M CB 0.258 32.848 32.600 -0.016 0.000 1.413 384 M HN 0.250 nan 8.290 nan 0.000 0.478 385 R N 0.768 121.256 120.500 -0.019 0.000 2.120 385 R HA -0.063 4.276 4.340 -0.002 0.000 0.234 385 R C 1.991 178.280 176.300 -0.019 0.000 1.123 385 R CA 1.625 57.713 56.100 -0.019 0.000 0.975 385 R CB -1.401 28.887 30.300 -0.020 0.000 0.866 385 R HN 0.860 nan 8.270 nan 0.000 0.446 386 A N 1.231 124.040 122.820 -0.018 0.000 1.873 386 A HA -0.153 4.165 4.320 -0.002 0.000 0.215 386 A C 2.066 179.641 177.584 -0.015 0.000 1.186 386 A CA 1.314 53.340 52.037 -0.019 0.000 0.616 386 A CB -0.358 18.630 19.000 -0.019 0.000 0.823 386 A HN 0.334 nan 8.150 nan 0.000 0.442 387 E N -0.851 119.342 120.200 -0.013 0.000 2.085 387 E HA -0.154 4.194 4.350 -0.002 0.000 0.194 387 E C 2.089 178.685 176.600 -0.008 0.000 0.994 387 E CA 1.665 58.060 56.400 -0.009 0.000 0.801 387 E CB -0.369 29.327 29.700 -0.007 0.000 0.743 387 E HN 0.565 nan 8.360 nan 0.000 0.453 388 T N 0.400 114.948 114.554 -0.010 0.000 2.607 388 T HA -0.245 4.104 4.350 -0.002 0.000 0.267 388 T C 2.161 176.857 174.700 -0.008 0.000 1.049 388 T CA 1.982 64.076 62.100 -0.009 0.000 1.162 388 T CB -0.430 68.430 68.868 -0.013 0.000 0.863 388 T HN 0.335 nan 8.240 nan 0.000 0.424 389 S N 1.051 116.744 115.700 -0.011 0.000 2.382 389 S HA -0.178 4.291 4.470 -0.002 0.000 0.228 389 S C 1.812 176.409 174.600 -0.006 0.000 1.027 389 S CA 1.855 60.049 58.200 -0.009 0.000 0.991 389 S CB -0.644 62.546 63.200 -0.015 0.000 0.823 389 S HN 0.478 nan 8.310 nan 0.000 0.469 390 D N 1.284 121.679 120.400 -0.008 0.000 2.106 390 D HA -0.120 4.519 4.640 -0.002 0.000 0.191 390 D C 1.854 178.154 176.300 0.001 0.000 0.997 390 D CA 1.684 55.682 54.000 -0.004 0.000 0.834 390 D CB -0.477 40.320 40.800 -0.005 0.000 0.956 390 D HN 0.310 nan 8.370 nan 0.000 0.448 391 V N 0.587 120.501 119.914 0.001 0.000 2.295 391 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 391 V C 2.498 178.596 176.094 0.007 0.000 1.049 391 V CA 1.867 64.169 62.300 0.004 0.000 1.024 391 V CB -0.964 30.862 31.823 0.005 0.000 0.648 391 V HN 0.340 nan 8.190 nan 0.000 0.447 392 A N 0.513 123.337 122.820 0.007 0.000 1.845 392 A HA -0.246 4.073 4.320 -0.002 0.000 0.215 392 A C 2.098 179.694 177.584 0.021 0.000 1.195 392 A CA 2.068 54.112 52.037 0.013 0.000 0.616 392 A CB -0.808 18.199 19.000 0.011 0.000 0.832 392 A HN 0.598 nan 8.150 nan 0.000 0.443 393 N N 0.463 119.175 118.700 0.019 0.000 2.137 393 N HA -0.188 4.551 4.740 -0.002 0.000 0.190 393 N C 1.936 177.459 175.510 0.022 0.000 1.017 393 N CA 1.528 54.593 53.050 0.026 0.000 0.859 393 N CB -0.520 37.980 38.487 0.020 0.000 1.002 393 N HN 0.503 nan 8.380 nan 0.000 0.428 394 A N 0.994 123.823 122.820 0.014 0.000 1.917 394 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 394 A C 2.576 180.166 177.584 0.010 0.000 1.182 394 A CA 1.538 53.579 52.037 0.008 0.000 0.633 394 A CB -0.807 18.193 19.000 0.001 0.000 0.819 394 A HN 0.138 nan 8.150 nan 0.000 0.448 395 V N -0.651 119.272 119.914 0.015 0.000 2.453 395 V HA -0.143 3.976 4.120 -0.002 0.000 0.247 395 V C 2.401 178.509 176.094 0.024 0.000 1.048 395 V CA 1.500 63.811 62.300 0.018 0.000 1.049 395 V CB -0.505 31.331 31.823 0.021 0.000 0.672 395 V HN 0.474 nan 8.190 nan 0.000 0.457 396 L N -0.225 121.017 121.223 0.032 0.000 2.217 396 L HA -0.075 4.264 4.340 -0.002 0.000 0.211 396 L C 2.103 178.991 176.870 0.031 0.000 1.107 396 L CA 1.661 56.528 54.840 0.046 0.000 0.783 396 L CB -1.115 40.988 42.059 0.073 0.000 0.919 396 L HN 0.339 nan 8.230 nan 0.000 0.442 397 D N -0.418 119.994 120.400 0.020 0.000 2.097 397 D HA -0.040 4.599 4.640 -0.002 0.000 0.197 397 D C 1.600 177.897 176.300 -0.006 0.000 0.984 397 D CA 1.675 55.678 54.000 0.005 0.000 0.826 397 D CB 0.247 41.049 40.800 0.003 0.000 0.973 397 D HN 0.405 nan 8.370 nan 0.000 0.460 398 G N -0.770 108.029 108.800 -0.002 0.000 3.268 398 G HA2 0.130 4.089 3.960 -0.002 0.000 0.220 398 G HA3 0.130 4.089 3.960 -0.002 0.000 0.220 398 G C 0.173 175.073 174.900 0.001 0.000 0.942 398 G CA 0.157 45.256 45.100 -0.001 0.000 0.918 398 G HN 0.478 nan 8.290 nan 0.000 0.658 399 A N 0.216 123.036 122.820 0.000 0.000 2.483 399 A HA 0.504 4.822 4.320 -0.002 0.000 0.238 399 A C 1.025 178.611 177.584 0.003 0.000 1.070 399 A CA 0.927 52.963 52.037 -0.002 0.000 0.770 399 A CB 0.342 19.339 19.000 -0.005 0.000 1.008 399 A HN 0.193 nan 8.150 nan 0.000 0.497 400 D N -0.068 120.334 120.400 0.004 0.000 2.262 400 D HA 0.091 4.730 4.640 -0.002 0.000 0.212 400 D C -0.113 176.193 176.300 0.009 0.000 0.964 400 D CA 1.069 55.073 54.000 0.006 0.000 0.875 400 D CB 0.339 41.146 40.800 0.012 0.000 0.996 400 D HN 0.520 nan 8.370 nan 0.000 0.497 401 C N 1.080 120.385 119.300 0.008 0.000 2.797 401 C HA 0.617 5.076 4.460 -0.002 0.000 0.306 401 C C -0.326 174.661 174.990 -0.005 0.000 1.207 401 C CA -0.971 58.053 59.018 0.011 0.000 1.507 401 C CB 2.006 29.764 27.740 0.030 0.000 2.028 401 C HN 0.182 nan 8.230 nan 0.000 0.475 402 I N 0.467 121.037 120.570 0.000 0.000 2.892 402 I HA 0.825 4.994 4.170 -0.002 0.000 0.306 402 I C -0.996 175.120 176.117 -0.003 0.000 1.078 402 I CA -0.803 60.493 61.300 -0.007 0.000 1.032 402 I CB 1.960 39.961 38.000 0.002 0.000 1.229 402 I HN 0.755 nan 8.210 nan 0.000 0.435 403 M N 4.232 123.825 119.600 -0.012 0.000 2.667 403 M HA 0.694 5.172 4.480 -0.002 0.000 0.286 403 M C -2.237 174.066 176.300 0.005 0.000 1.270 403 M CA -0.752 54.544 55.300 -0.006 0.000 0.826 403 M CB 3.063 35.635 32.600 -0.046 0.000 1.743 403 M HN 0.688 nan 8.290 nan 0.000 0.460 404 L N 0.606 121.842 121.223 0.021 0.000 2.455 404 L HA 0.503 4.842 4.340 -0.002 0.000 0.264 404 L C -0.527 176.367 176.870 0.040 0.000 0.968 404 L CA -0.322 54.536 54.840 0.030 0.000 0.827 404 L CB 2.478 44.562 42.059 0.041 0.000 1.317 404 L HN 0.805 nan 8.230 nan 0.000 0.407 405 S N 0.623 116.346 115.700 0.038 0.000 3.169 405 S HA 0.171 4.639 4.470 -0.002 0.000 0.174 405 S C 1.506 176.135 174.600 0.049 0.000 0.696 405 S CA 0.463 58.691 58.200 0.048 0.000 0.819 405 S CB -0.167 63.056 63.200 0.039 0.000 0.867 405 S HN 0.855 nan 8.310 nan 0.000 0.680 406 G N 1.533 110.356 108.800 0.039 0.000 2.418 406 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.217 406 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.217 406 G C 1.057 175.982 174.900 0.042 0.000 1.158 406 G CA 1.127 46.247 45.100 0.034 0.000 0.771 406 G HN 0.514 nan 8.290 nan 0.000 0.545 407 E N 0.220 120.449 120.200 0.048 0.000 2.147 407 E HA -0.156 4.192 4.350 -0.002 0.000 0.199 407 E C 2.699 179.338 176.600 0.065 0.000 1.005 407 E CA 2.025 58.463 56.400 0.063 0.000 0.810 407 E CB -0.342 29.393 29.700 0.058 0.000 0.736 407 E HN 0.639 nan 8.360 nan 0.000 0.460 408 T N -3.130 111.458 114.554 0.056 0.000 3.018 408 T HA 0.385 4.734 4.350 -0.002 0.000 0.246 408 T C 1.994 176.723 174.700 0.048 0.000 1.026 408 T CA 0.239 62.371 62.100 0.054 0.000 1.081 408 T CB -0.005 68.897 68.868 0.056 0.000 0.970 408 T HN 0.152 nan 8.240 nan 0.000 0.475 409 A N 2.638 125.488 122.820 0.051 0.000 1.898 409 A HA 0.074 4.392 4.320 -0.002 0.000 0.216 409 A C 2.115 179.716 177.584 0.029 0.000 1.181 409 A CA 1.494 53.561 52.037 0.050 0.000 0.620 409 A CB -0.253 18.783 19.000 0.061 0.000 0.819 409 A HN 0.609 nan 8.150 nan 0.000 0.442 410 K N -1.507 118.903 120.400 0.017 0.000 2.511 410 K HA 0.274 4.593 4.320 -0.002 0.000 0.206 410 K C 1.124 177.720 176.600 -0.007 0.000 1.333 410 K CA 0.381 56.667 56.287 -0.001 0.000 0.957 410 K CB -0.068 32.423 32.500 -0.014 0.000 1.172 410 K HN 0.301 nan 8.250 nan 0.000 0.547 411 G N 1.352 110.157 108.800 0.009 0.000 2.690 411 G HA2 -0.069 3.889 3.960 -0.002 0.000 0.239 411 G HA3 -0.069 3.889 3.960 -0.002 0.000 0.239 411 G C 0.134 175.005 174.900 -0.049 0.000 1.233 411 G CA -0.349 44.757 45.100 0.010 0.000 0.847 411 G HN 0.112 nan 8.290 nan 0.000 0.588 412 N N -0.693 117.936 118.700 -0.120 0.000 2.521 412 N HA 0.014 4.752 4.740 -0.002 0.000 0.188 412 N C -0.143 174.937 175.510 -0.718 0.000 1.146 412 N CA 0.557 53.373 53.050 -0.390 0.000 0.893 412 N CB 0.091 38.288 38.487 -0.484 0.000 0.975 412 N HN 0.426 nan 8.380 nan 0.000 0.451 413 F N 0.102 120.058 119.950 0.012 0.000 2.577 413 F HA 0.309 4.835 4.527 -0.002 0.000 0.342 413 F C -1.596 174.213 175.800 0.015 0.000 1.479 413 F CA -1.569 56.439 58.000 0.013 0.000 1.110 413 F CB 1.689 40.697 39.000 0.012 0.000 1.306 413 F HN -0.119 nan 8.300 nan 0.000 0.554 414 P HA -0.129 nan 4.420 nan 0.000 0.214 414 P C 1.718 179.074 177.300 0.093 0.000 1.162 414 P CA 1.349 64.501 63.100 0.086 0.000 0.874 414 P CB 0.365 32.092 31.700 0.044 0.000 0.784 415 V N 0.585 120.552 119.914 0.089 0.000 2.307 415 V HA -0.210 3.909 4.120 -0.002 0.000 0.245 415 V C 2.552 178.700 176.094 0.090 0.000 1.045 415 V CA 2.100 64.446 62.300 0.076 0.000 1.024 415 V CB -1.705 30.158 31.823 0.066 0.000 0.651 415 V HN 0.036 nan 8.190 nan 0.000 0.449 416 E N 1.117 121.398 120.200 0.136 0.000 2.070 416 E HA -0.219 4.130 4.350 -0.002 0.000 0.197 416 E C 2.289 178.935 176.600 0.076 0.000 1.004 416 E CA 1.734 58.200 56.400 0.110 0.000 0.805 416 E CB -0.752 29.030 29.700 0.137 0.000 0.744 416 E HN 0.582 nan 8.360 nan 0.000 0.451 417 A N 0.479 123.358 122.820 0.097 0.000 1.883 417 A HA -0.203 4.115 4.320 -0.002 0.000 0.217 417 A C 2.527 180.149 177.584 0.063 0.000 1.186 417 A CA 1.710 53.790 52.037 0.072 0.000 0.624 417 A CB -0.886 18.164 19.000 0.084 0.000 0.822 417 A HN 0.161 nan 8.150 nan 0.000 0.444 418 V N 0.061 120.014 119.914 0.064 0.000 2.295 418 V HA -0.299 3.820 4.120 -0.002 0.000 0.246 418 V C 2.467 178.604 176.094 0.072 0.000 1.049 418 V CA 2.411 64.745 62.300 0.057 0.000 1.024 418 V CB -0.711 31.136 31.823 0.040 0.000 0.648 418 V HN 0.562 nan 8.190 nan 0.000 0.447 419 K N -0.845 119.593 120.400 0.063 0.000 2.059 419 K HA -0.311 4.008 4.320 -0.002 0.000 0.212 419 K C 2.148 178.818 176.600 0.117 0.000 1.050 419 K CA 2.334 58.668 56.287 0.079 0.000 0.927 419 K CB -0.323 32.209 32.500 0.054 0.000 0.714 419 K HN 0.331 nan 8.250 nan 0.000 0.447 420 M N 1.306 120.951 119.600 0.075 0.000 2.077 420 M HA -0.192 4.286 4.480 -0.002 0.000 0.261 420 M C 1.996 178.333 176.300 0.061 0.000 1.070 420 M CA 1.670 57.003 55.300 0.055 0.000 1.125 420 M CB -0.076 32.538 32.600 0.025 0.000 1.339 420 M HN 0.071 nan 8.290 nan 0.000 0.409 421 Q N -1.266 118.573 119.800 0.065 0.000 2.112 421 Q HA -0.289 4.050 4.340 -0.002 0.000 0.206 421 Q C 2.094 178.140 176.000 0.077 0.000 0.987 421 Q CA 2.190 58.028 55.803 0.058 0.000 0.858 421 Q CB -0.587 28.184 28.738 0.055 0.000 0.905 421 Q HN 0.725 nan 8.270 nan 0.000 0.420 422 H N 0.383 119.467 119.070 0.024 0.000 2.253 422 H HA -0.149 4.406 4.556 -0.002 0.000 0.296 422 H C 1.919 177.268 175.328 0.035 0.000 1.074 422 H CA 2.319 58.386 56.048 0.032 0.000 1.263 422 H CB -0.378 29.403 29.762 0.032 0.000 1.363 422 H HN 0.240 nan 8.280 nan 0.000 0.489 423 A N 0.883 123.711 122.820 0.013 0.000 1.884 423 A HA -0.221 4.098 4.320 -0.002 0.000 0.219 423 A C 2.688 180.227 177.584 -0.075 0.000 1.197 423 A CA 2.275 54.283 52.037 -0.049 0.000 0.637 423 A CB -1.142 17.886 19.000 0.045 0.000 0.827 423 A HN 0.584 nan 8.150 nan 0.000 0.450 424 I N -0.522 120.028 120.570 -0.033 0.000 2.226 424 I HA -0.262 3.907 4.170 -0.002 0.000 0.245 424 I C 2.960 179.055 176.117 -0.037 0.000 1.100 424 I CA 1.045 62.330 61.300 -0.025 0.000 1.374 424 I CB -0.492 37.504 38.000 -0.007 0.000 1.057 424 I HN 0.375 nan 8.210 nan 0.000 0.413 425 A N 1.010 123.800 122.820 -0.051 0.000 1.902 425 A HA -0.178 4.140 4.320 -0.002 0.000 0.217 425 A C 2.423 179.978 177.584 -0.047 0.000 1.181 425 A CA 1.266 53.281 52.037 -0.036 0.000 0.623 425 A CB -0.537 18.448 19.000 -0.024 0.000 0.818 425 A HN 0.284 nan 8.150 nan 0.000 0.443 426 R N -0.367 120.060 120.500 -0.121 0.000 2.105 426 R HA -0.134 4.205 4.340 -0.002 0.000 0.239 426 R C 1.885 178.170 176.300 -0.026 0.000 1.135 426 R CA 1.445 57.491 56.100 -0.090 0.000 0.967 426 R CB -0.329 29.870 30.300 -0.168 0.000 0.861 426 R HN 0.584 nan 8.270 nan 0.000 0.442 427 E N 0.333 120.517 120.200 -0.027 0.000 2.072 427 E HA -0.068 4.281 4.350 -0.002 0.000 0.190 427 E C 2.002 178.614 176.600 0.020 0.000 0.982 427 E CA 1.047 57.446 56.400 -0.002 0.000 0.803 427 E CB -0.136 29.558 29.700 -0.009 0.000 0.755 427 E HN 0.282 nan 8.360 nan 0.000 0.453 428 A N 1.432 124.264 122.820 0.019 0.000 1.930 428 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 428 A C 2.030 179.649 177.584 0.059 0.000 1.175 428 A CA 1.494 53.554 52.037 0.038 0.000 0.627 428 A CB -0.471 18.546 19.000 0.029 0.000 0.815 428 A HN 0.171 nan 8.150 nan 0.000 0.443 429 E N -0.368 119.865 120.200 0.056 0.000 2.160 429 E HA -0.132 4.217 4.350 -0.002 0.000 0.195 429 E C 2.067 178.754 176.600 0.144 0.000 0.991 429 E CA 1.116 57.570 56.400 0.090 0.000 0.810 429 E CB -0.217 29.535 29.700 0.088 0.000 0.742 429 E HN 0.636 nan 8.360 nan 0.000 0.466 430 A N 0.385 123.278 122.820 0.123 0.000 2.123 430 A HA 0.171 4.490 4.320 -0.002 0.000 0.214 430 A C 2.123 179.811 177.584 0.174 0.000 1.152 430 A CA 0.980 53.111 52.037 0.156 0.000 0.728 430 A CB -0.041 19.016 19.000 0.095 0.000 0.814 430 A HN 0.259 nan 8.150 nan 0.000 0.464 431 A N -0.504 122.398 122.820 0.136 0.000 2.169 431 A HA 0.356 4.674 4.320 -0.002 0.000 0.212 431 A C 0.861 178.605 177.584 0.266 0.000 1.153 431 A CA 0.114 52.250 52.037 0.165 0.000 0.756 431 A CB -0.437 18.625 19.000 0.102 0.000 0.813 431 A HN 0.221 nan 8.150 nan 0.000 0.471 432 V N 1.326 121.319 119.914 0.131 0.000 2.475 432 V HA -0.139 3.980 4.120 -0.002 0.000 0.292 432 V C 0.641 176.715 176.094 -0.032 0.000 1.003 432 V CA 0.207 62.488 62.300 -0.032 0.000 1.120 432 V CB -0.667 30.971 31.823 -0.308 0.000 0.937 432 V HN 0.506 nan 8.190 nan 0.000 0.476 433 Y N 7.003 127.169 120.300 -0.223 0.000 2.823 433 Y HA 0.004 4.552 4.550 -0.003 0.000 0.345 433 Y C 1.833 177.672 175.900 -0.101 0.000 1.154 433 Y CA -0.323 57.608 58.100 -0.282 0.000 2.010 433 Y CB -1.180 36.997 38.460 -0.472 0.000 2.099 433 Y HN 0.733 nan 8.280 nan 0.000 0.409 434 H N 1.041 120.199 119.070 0.147 0.000 2.368 434 H HA -0.323 4.231 4.556 -0.002 0.000 0.292 434 H C 2.350 177.583 175.328 -0.158 0.000 1.117 434 H CA 2.054 58.139 56.048 0.062 0.000 1.231 434 H CB 0.058 29.942 29.762 0.204 0.000 1.359 434 H HN 0.508 nan 8.280 nan 0.000 0.490 435 R N 1.050 121.438 120.500 -0.186 0.000 2.115 435 R HA -0.225 4.114 4.340 -0.002 0.000 0.239 435 R C 2.462 178.473 176.300 -0.482 0.000 1.133 435 R CA 2.254 58.126 56.100 -0.380 0.000 0.935 435 R CB -0.254 29.812 30.300 -0.391 0.000 0.853 435 R HN 0.396 nan 8.270 nan 0.000 0.433 436 Q N -0.073 119.220 119.800 -0.845 0.000 2.119 436 Q HA -0.156 4.182 4.340 -0.002 0.000 0.201 436 Q C 2.186 178.054 176.000 -0.219 0.000 0.972 436 Q CA 1.465 56.989 55.803 -0.464 0.000 0.847 436 Q CB -0.051 28.469 28.738 -0.362 0.000 0.903 436 Q HN 0.383 nan 8.270 nan 0.000 0.433 437 L N -0.142 120.987 121.223 -0.157 0.000 2.027 437 L HA -0.092 4.247 4.340 -0.002 0.000 0.206 437 L C 1.985 178.897 176.870 0.070 0.000 1.074 437 L CA 1.682 56.503 54.840 -0.031 0.000 0.745 437 L CB -0.809 41.245 42.059 -0.007 0.000 0.898 437 L HN 0.303 nan 8.230 nan 0.000 0.433 438 F N 0.693 120.598 119.950 -0.076 0.000 2.186 438 F HA -0.117 4.410 4.527 0.000 0.000 0.299 438 F C 2.314 178.076 175.800 -0.063 0.000 1.090 438 F CA 1.744 59.724 58.000 -0.034 0.000 1.307 438 F CB -0.431 38.463 39.000 -0.176 0.000 1.019 438 F HN 0.260 nan 8.300 nan 0.000 0.489 439 E N 0.142 120.221 120.200 -0.201 0.000 2.038 439 E HA -0.251 4.097 4.350 -0.002 0.000 0.195 439 E C 2.170 178.635 176.600 -0.225 0.000 1.000 439 E CA 1.837 58.060 56.400 -0.294 0.000 0.803 439 E CB -0.255 29.323 29.700 -0.204 0.000 0.750 439 E HN 0.567 nan 8.360 nan 0.000 0.448 440 E N 0.466 120.585 120.200 -0.135 0.000 2.077 440 E HA -0.178 4.170 4.350 -0.002 0.000 0.193 440 E C 2.336 178.897 176.600 -0.065 0.000 0.989 440 E CA 0.699 57.043 56.400 -0.093 0.000 0.800 440 E CB -0.094 29.561 29.700 -0.076 0.000 0.746 440 E HN 0.238 nan 8.360 nan 0.000 0.452 441 L N 0.619 121.827 121.223 -0.025 0.000 1.989 441 L HA -0.232 4.107 4.340 -0.002 0.000 0.211 441 L C 2.683 179.577 176.870 0.042 0.000 1.071 441 L CA 1.372 56.237 54.840 0.042 0.000 0.749 441 L CB -0.534 41.621 42.059 0.160 0.000 0.890 441 L HN 0.082 nan 8.230 nan 0.000 0.431 442 R N -0.222 120.216 120.500 -0.102 0.000 2.096 442 R HA -0.203 4.135 4.340 -0.002 0.000 0.240 442 R C 2.424 178.672 176.300 -0.086 0.000 1.139 442 R CA 1.568 57.574 56.100 -0.157 0.000 0.952 442 R CB -0.374 29.639 30.300 -0.478 0.000 0.854 442 R HN 0.297 nan 8.270 nan 0.000 0.436 443 R N -0.285 120.149 120.500 -0.111 0.000 2.235 443 R HA -0.024 4.315 4.340 -0.002 0.000 0.213 443 R C 1.497 177.770 176.300 -0.045 0.000 1.059 443 R CA 1.087 57.136 56.100 -0.084 0.000 0.997 443 R CB 0.200 30.445 30.300 -0.092 0.000 0.884 443 R HN 0.207 nan 8.270 nan 0.000 0.462 444 A N -0.491 122.313 122.820 -0.027 0.000 2.211 444 A HA 0.424 4.743 4.320 -0.002 0.000 0.208 444 A C 0.564 178.151 177.584 0.005 0.000 1.250 444 A CA 0.121 52.150 52.037 -0.014 0.000 0.935 444 A CB 0.435 19.423 19.000 -0.020 0.000 0.982 444 A HN 0.257 nan 8.150 nan 0.000 0.490 445 A N 2.305 125.144 122.820 0.031 0.000 2.450 445 A HA 0.537 4.856 4.320 -0.002 0.000 0.255 445 A C -2.071 175.542 177.584 0.047 0.000 1.096 445 A CA -0.969 51.101 52.037 0.054 0.000 0.778 445 A CB -0.381 18.699 19.000 0.133 0.000 1.031 445 A HN 0.324 nan 8.150 nan 0.000 0.494 446 P HA 0.240 nan 4.420 nan 0.000 0.274 446 P C 0.088 177.410 177.300 0.037 0.000 1.231 446 P CA -0.344 62.771 63.100 0.026 0.000 0.790 446 P CB 0.511 32.223 31.700 0.020 0.000 0.951 447 L N 0.564 121.801 121.223 0.024 0.000 2.484 447 L HA 0.062 4.401 4.340 -0.002 0.000 0.297 447 L C 1.155 178.045 176.870 0.034 0.000 1.292 447 L CA 1.075 55.929 54.840 0.025 0.000 0.827 447 L CB -0.437 41.630 42.059 0.013 0.000 1.077 447 L HN 0.578 nan 8.230 nan 0.000 0.560 448 S N -0.662 115.060 115.700 0.036 0.000 2.567 448 S HA 0.433 4.902 4.470 -0.002 0.000 0.270 448 S C -0.279 174.343 174.600 0.037 0.000 1.152 448 S CA -0.773 57.452 58.200 0.041 0.000 0.835 448 S CB 1.726 64.963 63.200 0.062 0.000 1.115 448 S HN 0.663 nan 8.310 nan 0.000 0.459 449 R N 0.551 121.072 120.500 0.035 0.000 2.541 449 R HA 0.209 4.548 4.340 -0.002 0.000 0.332 449 R C -0.881 175.442 176.300 0.039 0.000 0.951 449 R CA -0.164 55.955 56.100 0.032 0.000 1.136 449 R CB 0.318 30.632 30.300 0.024 0.000 1.449 449 R HN 0.658 nan 8.270 nan 0.000 0.531 450 D N 1.145 121.571 120.400 0.044 0.000 2.346 450 D HA 0.058 4.697 4.640 -0.002 0.000 0.260 450 D C -1.727 174.612 176.300 0.065 0.000 1.252 450 D CA -2.100 51.929 54.000 0.048 0.000 0.895 450 D CB 1.680 42.505 40.800 0.043 0.000 1.097 450 D HN -0.077 nan 8.370 nan 0.000 0.489 451 P HA -0.139 nan 4.420 nan 0.000 0.217 451 P C 1.133 178.494 177.300 0.103 0.000 1.148 451 P CA 1.246 64.404 63.100 0.097 0.000 0.828 451 P CB 0.245 32.028 31.700 0.138 0.000 0.783 452 T N -0.695 113.916 114.554 0.095 0.000 2.674 452 T HA -0.159 4.190 4.350 -0.002 0.000 0.265 452 T C 1.641 176.401 174.700 0.099 0.000 1.039 452 T CA 1.184 63.340 62.100 0.093 0.000 1.150 452 T CB -0.716 68.194 68.868 0.070 0.000 0.864 452 T HN 0.274 nan 8.240 nan 0.000 0.427 453 E N 0.429 120.690 120.200 0.100 0.000 2.070 453 E HA -0.138 4.210 4.350 -0.002 0.000 0.197 453 E C 2.408 179.083 176.600 0.124 0.000 1.004 453 E CA 1.232 57.715 56.400 0.140 0.000 0.805 453 E CB -0.342 29.443 29.700 0.141 0.000 0.744 453 E HN 0.253 nan 8.360 nan 0.000 0.451 454 V N 1.182 121.148 119.914 0.088 0.000 2.287 454 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 454 V C 2.400 178.526 176.094 0.054 0.000 1.053 454 V CA 2.293 64.628 62.300 0.059 0.000 1.027 454 V CB -0.907 30.947 31.823 0.051 0.000 0.646 454 V HN 0.345 nan 8.190 nan 0.000 0.447 455 T N 0.388 114.984 114.554 0.071 0.000 2.674 455 T HA -0.187 4.162 4.350 -0.002 0.000 0.265 455 T C 2.097 176.836 174.700 0.065 0.000 1.039 455 T CA 1.646 63.786 62.100 0.068 0.000 1.150 455 T CB -0.605 68.314 68.868 0.085 0.000 0.864 455 T HN 0.582 nan 8.240 nan 0.000 0.427 456 A N 1.686 124.561 122.820 0.092 0.000 1.870 456 A HA -0.170 4.149 4.320 -0.002 0.000 0.219 456 A C 2.323 179.944 177.584 0.061 0.000 1.224 456 A CA 1.916 54.023 52.037 0.117 0.000 0.650 456 A CB -1.149 17.976 19.000 0.208 0.000 0.836 456 A HN 0.517 nan 8.150 nan 0.000 0.454 457 I N -0.759 119.797 120.570 -0.023 0.000 2.286 457 I HA -0.197 3.972 4.170 -0.002 0.000 0.248 457 I C 2.336 178.422 176.117 -0.051 0.000 1.115 457 I CA 1.576 62.746 61.300 -0.217 0.000 1.392 457 I CB -0.549 37.194 38.000 -0.428 0.000 1.065 457 I HN 0.405 nan 8.210 nan 0.000 0.418 458 G N -0.022 108.773 108.800 -0.008 0.000 2.408 458 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.217 458 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.217 458 G C 1.761 176.674 174.900 0.021 0.000 1.150 458 G CA 0.665 45.775 45.100 0.018 0.000 0.776 458 G HN 0.535 nan 8.290 nan 0.000 0.542 459 A N 0.284 123.114 122.820 0.017 0.000 1.877 459 A HA 0.066 4.385 4.320 -0.002 0.000 0.216 459 A C 2.582 180.154 177.584 -0.020 0.000 1.186 459 A CA 1.775 53.815 52.037 0.005 0.000 0.620 459 A CB -0.689 18.320 19.000 0.016 0.000 0.822 459 A HN 0.238 nan 8.150 nan 0.000 0.443 460 V N 0.084 119.988 119.914 -0.017 0.000 2.407 460 V HA -0.252 3.867 4.120 -0.002 0.000 0.248 460 V C 2.597 178.664 176.094 -0.045 0.000 1.055 460 V CA 2.494 64.750 62.300 -0.073 0.000 1.049 460 V CB -0.649 31.150 31.823 -0.041 0.000 0.662 460 V HN 0.777 nan 8.190 nan 0.000 0.455 461 E N 0.771 121.004 120.200 0.054 0.000 2.047 461 E HA -0.144 4.205 4.350 -0.002 0.000 0.191 461 E C 2.157 178.820 176.600 0.105 0.000 0.987 461 E CA 1.566 58.056 56.400 0.150 0.000 0.799 461 E CB -0.508 29.298 29.700 0.177 0.000 0.752 461 E HN 0.472 nan 8.360 nan 0.000 0.449 462 A N 1.097 123.944 122.820 0.045 0.000 1.917 462 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 462 A C 2.478 180.056 177.584 -0.010 0.000 1.182 462 A CA 2.451 54.501 52.037 0.020 0.000 0.633 462 A CB -1.256 17.748 19.000 0.006 0.000 0.819 462 A HN 0.431 nan 8.150 nan 0.000 0.448 463 A N -1.054 121.723 122.820 -0.073 0.000 1.865 463 A HA -0.078 4.240 4.320 -0.002 0.000 0.217 463 A C 1.991 179.466 177.584 -0.181 0.000 1.191 463 A CA 1.612 53.549 52.037 -0.168 0.000 0.623 463 A CB -0.935 17.893 19.000 -0.286 0.000 0.826 463 A HN 0.503 nan 8.150 nan 0.000 0.444 464 F N -0.009 119.857 119.950 -0.140 0.000 2.192 464 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 464 F C 2.299 178.060 175.800 -0.066 0.000 1.079 464 F CA 1.875 59.799 58.000 -0.127 0.000 1.303 464 F CB -0.076 38.830 39.000 -0.157 0.000 1.024 464 F HN 0.185 nan 8.300 nan 0.000 0.494 465 K N 0.542 121.019 120.400 0.129 0.000 2.155 465 K HA -0.112 4.207 4.320 -0.002 0.000 0.203 465 K C 1.329 177.957 176.600 0.046 0.000 1.052 465 K CA 1.474 57.813 56.287 0.086 0.000 0.948 465 K CB -0.276 32.262 32.500 0.064 0.000 0.728 465 K HN 0.403 nan 8.250 nan 0.000 0.448 466 C N -1.859 117.450 119.300 0.016 0.000 2.863 466 C HA 0.459 4.918 4.460 -0.002 0.000 0.284 466 C C 0.467 175.446 174.990 -0.018 0.000 1.426 466 C CA -1.209 57.809 59.018 0.000 0.000 1.782 466 C CB -1.952 25.783 27.740 -0.008 0.000 2.554 466 C HN 0.418 nan 8.230 nan 0.000 0.566 467 C N 2.255 121.541 119.300 -0.023 0.000 3.860 467 C HA -0.023 4.436 4.460 -0.002 0.000 0.292 467 C C 1.567 176.507 174.990 -0.082 0.000 1.445 467 C CA 0.661 59.646 59.018 -0.055 0.000 2.040 467 C CB -3.177 24.549 27.740 -0.023 0.000 1.314 467 C HN 1.098 nan 8.230 nan 0.000 0.678 468 A N 0.154 122.912 122.820 -0.103 0.000 2.555 468 A HA 0.438 4.756 4.320 -0.002 0.000 0.233 468 A C 1.343 178.860 177.584 -0.112 0.000 1.060 468 A CA 0.869 52.847 52.037 -0.097 0.000 0.759 468 A CB 0.275 19.213 19.000 -0.104 0.000 0.995 468 A HN 1.699 nan 8.150 nan 0.000 0.506 469 A N 1.598 124.370 122.820 -0.080 0.000 1.975 469 A HA 0.504 4.823 4.320 -0.002 0.000 0.215 469 A C 1.156 178.680 177.584 -0.100 0.000 1.170 469 A CA 1.670 53.662 52.037 -0.076 0.000 0.656 469 A CB -0.303 18.674 19.000 -0.037 0.000 0.821 469 A HN 2.330 nan 8.150 nan 0.000 0.449 470 A N -1.267 121.499 122.820 -0.090 0.000 2.606 470 A HA 0.661 4.980 4.320 -0.002 0.000 0.293 470 A C -1.217 176.321 177.584 -0.077 0.000 1.082 470 A CA -0.530 51.450 52.037 -0.095 0.000 0.685 470 A CB 0.621 19.574 19.000 -0.079 0.000 1.284 470 A HN 0.203 nan 8.150 nan 0.000 0.408 471 I N 1.305 121.834 120.570 -0.069 0.000 2.354 471 I HA 0.422 4.591 4.170 -0.002 0.000 0.292 471 I C -0.738 175.370 176.117 -0.014 0.000 0.989 471 I CA -0.245 61.030 61.300 -0.042 0.000 1.188 471 I CB 1.520 39.495 38.000 -0.042 0.000 1.342 471 I HN 0.461 nan 8.210 nan 0.000 0.457 472 I N 7.070 127.638 120.570 -0.004 0.000 2.362 472 I HA 0.368 4.537 4.170 -0.002 0.000 0.289 472 I C -0.588 175.539 176.117 0.016 0.000 0.994 472 I CA -0.702 60.606 61.300 0.013 0.000 1.158 472 I CB 1.493 39.500 38.000 0.011 0.000 1.315 472 I HN 0.229 nan 8.210 nan 0.000 0.451 473 V N 6.093 126.023 119.914 0.027 0.000 2.628 473 V HA 0.476 4.595 4.120 -0.002 0.000 0.306 473 V C -0.352 175.758 176.094 0.026 0.000 1.045 473 V CA -0.959 61.357 62.300 0.027 0.000 0.905 473 V CB 1.766 33.609 31.823 0.033 0.000 0.997 473 V HN 0.333 nan 8.190 nan 0.000 0.436 474 L N 3.187 124.420 121.223 0.017 0.000 2.276 474 L HA 0.722 5.061 4.340 -0.002 0.000 0.286 474 L C 0.381 177.271 176.870 0.033 0.000 1.061 474 L CA 0.795 55.642 54.840 0.011 0.000 0.807 474 L CB 1.321 43.369 42.059 -0.019 0.000 1.177 474 L HN 0.987 nan 8.230 nan 0.000 0.429 475 T N 0.606 115.181 114.554 0.036 0.000 2.933 475 T HA 0.441 4.790 4.350 -0.002 0.000 0.305 475 T C 0.546 175.269 174.700 0.039 0.000 1.092 475 T CA -0.300 61.823 62.100 0.039 0.000 1.008 475 T CB 1.307 70.194 68.868 0.032 0.000 1.102 475 T HN 0.620 nan 8.240 nan 0.000 0.469 476 T N 1.774 116.351 114.554 0.037 0.000 3.023 476 T HA 0.124 4.472 4.350 -0.002 0.000 0.249 476 T C 1.661 176.375 174.700 0.023 0.000 1.050 476 T CA 0.956 63.076 62.100 0.035 0.000 1.088 476 T CB 0.140 69.031 68.868 0.037 0.000 0.946 476 T HN 0.825 nan 8.240 nan 0.000 0.480 477 T N -2.232 112.332 114.554 0.016 0.000 3.016 477 T HA 0.500 4.849 4.350 -0.002 0.000 0.271 477 T C 1.730 176.434 174.700 0.006 0.000 0.968 477 T CA 0.758 62.862 62.100 0.008 0.000 0.891 477 T CB 0.532 69.399 68.868 -0.001 0.000 1.149 477 T HN 0.396 nan 8.240 nan 0.000 0.524 478 G N 2.038 110.844 108.800 0.009 0.000 2.234 478 G HA2 -0.338 3.620 3.960 -0.002 0.000 0.235 478 G HA3 -0.338 3.620 3.960 -0.002 0.000 0.235 478 G C 0.966 175.869 174.900 0.005 0.000 0.997 478 G CA 0.569 45.671 45.100 0.003 0.000 0.623 478 G HN 0.606 nan 8.290 nan 0.000 0.514 479 R N 1.034 121.537 120.500 0.005 0.000 2.096 479 R HA -0.101 4.238 4.340 -0.002 0.000 0.240 479 R C 2.730 179.041 176.300 0.018 0.000 1.139 479 R CA 2.570 58.674 56.100 0.006 0.000 0.952 479 R CB -0.452 29.848 30.300 -0.001 0.000 0.854 479 R HN 0.441 nan 8.270 nan 0.000 0.436 480 S N 0.176 115.891 115.700 0.025 0.000 2.382 480 S HA -0.159 4.309 4.470 -0.002 0.000 0.228 480 S C 1.958 176.581 174.600 0.039 0.000 1.027 480 S CA 1.155 59.380 58.200 0.041 0.000 0.991 480 S CB -0.243 62.985 63.200 0.048 0.000 0.823 480 S HN 0.576 nan 8.310 nan 0.000 0.469 481 A N 1.445 124.280 122.820 0.025 0.000 1.877 481 A HA -0.199 4.120 4.320 -0.002 0.000 0.216 481 A C 2.137 179.729 177.584 0.012 0.000 1.186 481 A CA 1.776 53.823 52.037 0.017 0.000 0.620 481 A CB -0.856 18.144 19.000 0.000 0.000 0.822 481 A HN 0.553 nan 8.150 nan 0.000 0.443 482 Q N -0.200 119.603 119.800 0.005 0.000 2.112 482 Q HA -0.186 4.153 4.340 -0.002 0.000 0.206 482 Q C 1.938 177.942 176.000 0.006 0.000 0.987 482 Q CA 1.900 57.702 55.803 -0.002 0.000 0.858 482 Q CB -0.331 28.404 28.738 -0.006 0.000 0.905 482 Q HN 0.694 nan 8.270 nan 0.000 0.420 483 L N 0.077 121.318 121.223 0.030 0.000 2.046 483 L HA -0.196 4.143 4.340 -0.002 0.000 0.208 483 L C 2.461 179.402 176.870 0.120 0.000 1.077 483 L CA 0.789 55.664 54.840 0.058 0.000 0.747 483 L CB -0.501 41.616 42.059 0.096 0.000 0.896 483 L HN 0.305 nan 8.230 nan 0.000 0.432 484 L N -0.177 121.119 121.223 0.122 0.000 2.046 484 L HA -0.218 4.121 4.340 -0.002 0.000 0.208 484 L C 2.943 179.893 176.870 0.134 0.000 1.077 484 L CA 1.713 56.647 54.840 0.157 0.000 0.747 484 L CB -0.596 41.514 42.059 0.085 0.000 0.896 484 L HN 0.374 nan 8.230 nan 0.000 0.432 485 S N -0.406 115.328 115.700 0.056 0.000 2.387 485 S HA -0.204 4.265 4.470 -0.002 0.000 0.226 485 S C 2.151 176.760 174.600 0.015 0.000 1.026 485 S CA 0.546 58.764 58.200 0.031 0.000 0.972 485 S CB -0.344 62.851 63.200 -0.009 0.000 0.814 485 S HN 0.270 nan 8.310 nan 0.000 0.477 486 R N -0.082 120.384 120.500 -0.057 0.000 2.224 486 R HA -0.235 4.104 4.340 -0.002 0.000 0.255 486 R C 1.681 177.852 176.300 -0.215 0.000 1.130 486 R CA 2.528 58.504 56.100 -0.207 0.000 0.957 486 R CB -0.753 29.292 30.300 -0.425 0.000 0.907 486 R HN 0.689 nan 8.270 nan 0.000 0.446 487 Y N -0.446 119.938 120.300 0.140 0.000 2.529 487 Y HA 0.111 4.660 4.550 -0.003 0.000 0.290 487 Y C 0.462 176.503 175.900 0.234 0.000 1.177 487 Y CA -0.158 58.089 58.100 0.245 0.000 1.305 487 Y CB 0.422 39.086 38.460 0.340 0.000 1.047 487 Y HN -0.020 nan 8.280 nan 0.000 0.522 488 R N -1.149 119.490 120.500 0.232 0.000 3.201 488 R HA -0.124 4.214 4.340 -0.002 0.000 0.254 488 R C -3.031 173.409 176.300 0.232 0.000 0.978 488 R CA -0.085 56.146 56.100 0.218 0.000 0.661 488 R CB -2.455 27.997 30.300 0.254 0.000 1.170 488 R HN 0.280 nan 8.270 nan 0.000 0.430 489 P HA 0.079 nan 4.420 nan 0.000 0.271 489 P C 0.824 177.989 177.300 -0.225 0.000 1.233 489 P CA -0.244 62.716 63.100 -0.232 0.000 0.789 489 P CB 0.545 32.100 31.700 -0.242 0.000 0.951 490 R N 1.381 121.539 120.500 -0.569 0.000 2.173 490 R HA 0.208 4.546 4.340 -0.002 0.000 0.208 490 R C 0.590 176.722 176.300 -0.280 0.000 1.035 490 R CA 0.282 56.133 56.100 -0.415 0.000 1.004 490 R CB -0.290 29.630 30.300 -0.633 0.000 0.917 490 R HN 0.512 nan 8.270 nan 0.000 0.462 491 A N 1.302 123.907 122.820 -0.357 0.000 2.445 491 A HA 0.511 4.829 4.320 -0.002 0.000 0.242 491 A C 0.001 177.501 177.584 -0.141 0.000 1.075 491 A CA 0.081 51.977 52.037 -0.235 0.000 0.777 491 A CB 0.316 19.163 19.000 -0.255 0.000 1.013 491 A HN 0.529 nan 8.150 nan 0.000 0.493 492 A N 1.145 123.889 122.820 -0.127 0.000 2.407 492 A HA 0.504 4.822 4.320 -0.002 0.000 0.248 492 A C -0.039 177.542 177.584 -0.005 0.000 1.082 492 A CA -0.261 51.751 52.037 -0.042 0.000 0.785 492 A CB 0.138 18.898 19.000 -0.401 0.000 1.020 492 A HN 1.103 nan 8.150 nan 0.000 0.489 493 V N 3.944 123.921 119.914 0.106 0.000 2.304 493 V HA 0.194 4.313 4.120 -0.002 0.000 0.269 493 V C -0.096 176.065 176.094 0.112 0.000 1.036 493 V CA 0.116 62.449 62.300 0.055 0.000 0.840 493 V CB 0.279 32.112 31.823 0.016 0.000 1.036 493 V HN 0.648 nan 8.190 nan 0.000 0.466 494 I N 4.809 125.419 120.570 0.067 0.000 2.301 494 I HA 0.476 4.645 4.170 -0.002 0.000 0.292 494 I C 0.724 176.895 176.117 0.090 0.000 1.046 494 I CA 0.103 61.464 61.300 0.102 0.000 1.282 494 I CB 1.120 39.168 38.000 0.079 0.000 1.409 494 I HN 0.633 nan 8.210 nan 0.000 0.484 495 A N 7.107 129.987 122.820 0.100 0.000 2.260 495 A HA 0.656 4.975 4.320 -0.002 0.000 0.308 495 A C -0.433 177.217 177.584 0.111 0.000 1.254 495 A CA -0.429 51.654 52.037 0.077 0.000 0.874 495 A CB 0.686 19.710 19.000 0.040 0.000 1.153 495 A HN 0.454 nan 8.150 nan 0.000 0.527 496 V N 2.624 122.599 119.914 0.102 0.000 2.398 496 V HA 0.724 4.843 4.120 -0.002 0.000 0.286 496 V C 0.370 176.515 176.094 0.085 0.000 1.026 496 V CA -0.067 62.314 62.300 0.136 0.000 0.868 496 V CB 1.393 33.285 31.823 0.115 0.000 0.982 496 V HN 1.007 nan 8.190 nan 0.000 0.443 497 T N 4.154 118.776 114.554 0.113 0.000 2.894 497 T HA 0.384 4.733 4.350 -0.002 0.000 0.309 497 T C 0.484 175.250 174.700 0.110 0.000 1.208 497 T CA -0.606 61.544 62.100 0.085 0.000 1.016 497 T CB 1.794 70.703 68.868 0.068 0.000 1.192 497 T HN 0.615 nan 8.240 nan 0.000 0.491 498 R N 1.168 121.723 120.500 0.092 0.000 2.297 498 R HA 0.156 4.495 4.340 -0.002 0.000 0.197 498 R C 0.660 176.993 176.300 0.055 0.000 0.943 498 R CA 0.079 56.231 56.100 0.087 0.000 1.038 498 R CB 0.231 30.584 30.300 0.088 0.000 0.957 498 R HN 0.444 nan 8.270 nan 0.000 0.484 499 S N 0.616 116.349 115.700 0.054 0.000 2.642 499 S HA 0.276 4.745 4.470 -0.002 0.000 0.309 499 S C 1.241 175.871 174.600 0.050 0.000 1.125 499 S CA -0.290 57.935 58.200 0.042 0.000 1.055 499 S CB 0.989 64.209 63.200 0.034 0.000 1.157 499 S HN 0.335 nan 8.310 nan 0.000 0.513 500 A N 4.480 127.330 122.820 0.050 0.000 1.909 500 A HA -0.293 4.025 4.320 -0.002 0.000 0.221 500 A C 2.079 179.705 177.584 0.071 0.000 1.223 500 A CA 2.465 54.545 52.037 0.072 0.000 0.658 500 A CB -1.303 17.735 19.000 0.063 0.000 0.831 500 A HN 0.861 nan 8.150 nan 0.000 0.462 501 Q N -0.871 118.958 119.800 0.049 0.000 2.077 501 Q HA -0.162 4.176 4.340 -0.002 0.000 0.206 501 Q C 2.173 178.190 176.000 0.029 0.000 0.989 501 Q CA 2.380 58.206 55.803 0.038 0.000 0.853 501 Q CB -0.441 28.312 28.738 0.026 0.000 0.907 501 Q HN 0.661 nan 8.270 nan 0.000 0.418 502 A N 0.438 123.274 122.820 0.026 0.000 1.902 502 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 502 A C 2.302 179.887 177.584 0.001 0.000 1.181 502 A CA 1.767 53.812 52.037 0.014 0.000 0.623 502 A CB -1.171 17.840 19.000 0.018 0.000 0.818 502 A HN 0.584 nan 8.150 nan 0.000 0.443 503 A N -0.370 122.461 122.820 0.019 0.000 1.972 503 A HA -0.167 4.151 4.320 -0.002 0.000 0.219 503 A C 2.250 179.798 177.584 -0.060 0.000 1.169 503 A CA 1.534 53.569 52.037 -0.003 0.000 0.635 503 A CB -0.421 18.622 19.000 0.072 0.000 0.810 503 A HN 0.582 nan 8.150 nan 0.000 0.446 504 R N -0.769 119.739 120.500 0.014 0.000 2.062 504 R HA -0.091 4.247 4.340 -0.002 0.000 0.229 504 R C 2.395 178.712 176.300 0.028 0.000 1.128 504 R CA 1.509 57.641 56.100 0.053 0.000 0.960 504 R CB -0.360 29.991 30.300 0.086 0.000 0.855 504 R HN 0.667 nan 8.270 nan 0.000 0.432 505 Q N 0.301 120.105 119.800 0.007 0.000 2.226 505 Q HA -0.088 4.251 4.340 -0.002 0.000 0.204 505 Q C 2.039 178.034 176.000 -0.008 0.000 0.975 505 Q CA 0.977 56.786 55.803 0.010 0.000 0.866 505 Q CB 0.010 28.750 28.738 0.004 0.000 0.915 505 Q HN 0.124 nan 8.270 nan 0.000 0.440 506 V N 0.871 120.741 119.914 -0.073 0.000 2.867 506 V HA -0.230 3.889 4.120 -0.002 0.000 0.260 506 V C 1.801 177.829 176.094 -0.111 0.000 1.099 506 V CA 1.426 63.664 62.300 -0.103 0.000 1.122 506 V CB -0.623 31.123 31.823 -0.129 0.000 0.708 506 V HN 0.455 nan 8.190 nan 0.000 0.490 507 H N -1.056 117.999 119.070 -0.026 0.000 2.456 507 H HA -0.072 4.483 4.556 -0.002 0.000 0.296 507 H C 2.024 177.333 175.328 -0.033 0.000 1.079 507 H CA 1.035 57.055 56.048 -0.046 0.000 1.322 507 H CB -0.023 29.728 29.762 -0.018 0.000 1.388 507 H HN 0.265 nan 8.280 nan 0.000 0.538 508 L N 0.229 121.519 121.223 0.112 0.000 2.447 508 L HA -0.105 4.234 4.340 -0.002 0.000 0.225 508 L C 0.652 177.542 176.870 0.033 0.000 1.148 508 L CA 0.502 55.389 54.840 0.079 0.000 0.808 508 L CB -0.673 41.430 42.059 0.074 0.000 0.928 508 L HN 0.183 nan 8.230 nan 0.000 0.448 509 C N 0.327 119.626 119.300 -0.001 0.000 2.264 509 C HA 0.358 4.817 4.460 -0.002 0.000 0.324 509 C C 1.113 176.065 174.990 -0.065 0.000 1.267 509 C CA -1.471 57.529 59.018 -0.029 0.000 1.618 509 C CB 0.494 28.211 27.740 -0.037 0.000 2.278 509 C HN 0.311 nan 8.230 nan 0.000 0.499 510 R N 2.112 122.584 120.500 -0.047 0.000 2.523 510 R HA 0.259 4.598 4.340 -0.002 0.000 0.281 510 R C 1.293 177.518 176.300 -0.124 0.000 0.969 510 R CA 1.776 57.836 56.100 -0.066 0.000 1.093 510 R CB -0.072 30.216 30.300 -0.018 0.000 0.917 510 R HN 1.267 nan 8.270 nan 0.000 0.408 511 G N 2.508 111.163 108.800 -0.241 0.000 2.153 511 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.252 511 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.252 511 G C -0.249 174.370 174.900 -0.469 0.000 0.994 511 G CA 0.181 45.091 45.100 -0.316 0.000 0.698 511 G HN 0.513 nan 8.290 nan 0.000 0.521 512 V N 0.426 120.014 119.914 -0.544 0.000 2.398 512 V HA 0.709 4.827 4.120 -0.002 0.000 0.286 512 V C -0.198 175.543 176.094 -0.589 0.000 1.026 512 V CA -0.615 61.461 62.300 -0.375 0.000 0.868 512 V CB 1.246 32.957 31.823 -0.186 0.000 0.982 512 V HN 0.221 nan 8.190 nan 0.000 0.443 513 F N 6.659 126.575 119.950 -0.057 0.000 2.403 513 F HA 0.535 5.061 4.527 -0.002 0.000 0.355 513 F C -2.248 173.561 175.800 0.015 0.000 1.119 513 F CA -2.479 55.515 58.000 -0.009 0.000 1.007 513 F CB 1.895 40.845 39.000 -0.083 0.000 1.194 513 F HN 0.315 nan 8.300 nan 0.000 0.443 514 P HA 0.411 nan 4.420 nan 0.000 0.286 514 P C -1.043 176.370 177.300 0.188 0.000 1.261 514 P CA -0.426 62.715 63.100 0.068 0.000 0.821 514 P CB 1.976 33.617 31.700 -0.100 0.000 1.013 515 L N 2.925 124.283 121.223 0.225 0.000 2.376 515 L HA 0.390 4.729 4.340 -0.002 0.000 0.275 515 L C -0.382 176.706 176.870 0.364 0.000 0.987 515 L CA -1.143 53.899 54.840 0.338 0.000 0.828 515 L CB 2.126 44.410 42.059 0.375 0.000 1.249 515 L HN 0.240 nan 8.230 nan 0.000 0.409 516 L N 4.021 125.462 121.223 0.363 0.000 2.260 516 L HA 0.349 4.687 4.340 -0.002 0.000 0.289 516 L C -0.819 176.140 176.870 0.148 0.000 1.057 516 L CA 0.015 54.994 54.840 0.231 0.000 0.811 516 L CB 0.674 42.832 42.059 0.165 0.000 1.184 516 L HN 0.344 nan 8.230 nan 0.000 0.429 517 Y N 5.003 125.240 120.300 -0.105 0.000 2.327 517 Y HA 0.385 4.934 4.550 -0.002 0.000 0.336 517 Y C 0.995 176.728 175.900 -0.279 0.000 1.035 517 Y CA -0.062 57.803 58.100 -0.393 0.000 1.165 517 Y CB 0.918 39.162 38.460 -0.360 0.000 1.181 517 Y HN 0.717 nan 8.280 nan 0.000 0.494 518 R N 2.008 121.988 120.500 -0.866 0.000 2.307 518 R HA 0.112 4.451 4.340 -0.002 0.000 0.200 518 R C -0.282 175.690 176.300 -0.548 0.000 0.893 518 R CA -0.127 55.652 56.100 -0.534 0.000 1.042 518 R CB 0.425 30.490 30.300 -0.391 0.000 1.059 518 R HN 0.570 nan 8.270 nan 0.000 0.530 519 E N 2.553 122.192 120.200 -0.936 0.000 2.383 519 E HA 0.132 4.481 4.350 -0.002 0.000 0.264 519 E C -2.248 174.238 176.600 -0.190 0.000 1.050 519 E CA -2.148 53.951 56.400 -0.503 0.000 0.896 519 E CB 0.166 29.590 29.700 -0.459 0.000 0.982 519 E HN -0.030 nan 8.360 nan 0.000 0.424 520 P HA 0.195 nan 4.420 nan 0.000 0.275 520 P C -2.416 174.903 177.300 0.032 0.000 1.227 520 P CA -1.206 61.880 63.100 -0.024 0.000 0.781 520 P CB -0.343 31.341 31.700 -0.027 0.000 0.906 521 P HA 0.022 nan 4.420 nan 0.000 0.266 521 P C 0.001 177.339 177.300 0.064 0.000 1.195 521 P CA 0.358 63.509 63.100 0.084 0.000 0.768 521 P CB 0.369 32.123 31.700 0.090 0.000 0.838 522 E N 1.265 121.503 120.200 0.064 0.000 2.374 522 E HA 0.130 4.478 4.350 -0.002 0.000 0.260 522 E C 1.297 177.932 176.600 0.058 0.000 1.101 522 E CA -0.203 56.225 56.400 0.047 0.000 0.907 522 E CB 0.641 30.359 29.700 0.029 0.000 1.014 522 E HN 0.406 nan 8.360 nan 0.000 0.427 523 A N 2.955 125.802 122.820 0.045 0.000 1.892 523 A HA -0.153 4.165 4.320 -0.002 0.000 0.218 523 A C 1.235 178.862 177.584 0.070 0.000 1.188 523 A CA 1.130 53.197 52.037 0.049 0.000 0.631 523 A CB -0.357 18.663 19.000 0.034 0.000 0.822 523 A HN 0.570 nan 8.150 nan 0.000 0.447 524 I N -1.502 119.107 120.570 0.065 0.000 2.312 524 I HA 0.071 4.240 4.170 -0.002 0.000 0.291 524 I C 0.845 177.030 176.117 0.113 0.000 1.031 524 I CA -0.552 60.799 61.300 0.086 0.000 1.293 524 I CB 1.184 39.215 38.000 0.051 0.000 1.403 524 I HN 0.597 nan 8.210 nan 0.000 0.484 525 W N 6.278 127.569 121.300 -0.014 0.000 2.318 525 W HA -0.327 4.332 4.660 -0.002 0.000 0.313 525 W C 2.218 178.724 176.519 -0.022 0.000 1.221 525 W CA 2.212 59.542 57.345 -0.024 0.000 1.266 525 W CB -0.012 29.426 29.460 -0.037 0.000 1.150 525 W HN 0.628 nan 8.180 nan 0.000 0.496 526 A N 0.304 123.077 122.820 -0.079 0.000 1.892 526 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 526 A C 1.783 179.220 177.584 -0.244 0.000 1.188 526 A CA 2.405 54.301 52.037 -0.235 0.000 0.631 526 A CB -1.211 17.758 19.000 -0.051 0.000 0.822 526 A HN 0.342 nan 8.150 nan 0.000 0.447 527 D N -0.523 119.801 120.400 -0.127 0.000 2.123 527 D HA -0.147 4.491 4.640 -0.002 0.000 0.196 527 D C 1.584 177.802 176.300 -0.137 0.000 0.992 527 D CA 1.687 55.628 54.000 -0.098 0.000 0.833 527 D CB -0.573 40.204 40.800 -0.038 0.000 0.954 527 D HN 0.624 nan 8.370 nan 0.000 0.455 528 D N -0.227 120.071 120.400 -0.169 0.000 2.144 528 D HA -0.115 4.524 4.640 -0.002 0.000 0.199 528 D C 2.013 178.135 176.300 -0.297 0.000 0.984 528 D CA 0.635 54.530 54.000 -0.175 0.000 0.834 528 D CB 0.237 40.971 40.800 -0.111 0.000 0.955 528 D HN -0.066 nan 8.370 nan 0.000 0.465 529 V N 0.732 120.368 119.914 -0.463 0.000 2.295 529 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 529 V C 1.877 177.800 176.094 -0.285 0.000 1.049 529 V CA 1.975 63.999 62.300 -0.460 0.000 1.024 529 V CB -0.554 30.884 31.823 -0.643 0.000 0.648 529 V HN 0.243 nan 8.190 nan 0.000 0.447 530 D N -0.030 120.234 120.400 -0.226 0.000 2.092 530 D HA -0.152 4.487 4.640 -0.002 0.000 0.193 530 D C 2.398 178.638 176.300 -0.100 0.000 0.994 530 D CA 1.301 55.220 54.000 -0.136 0.000 0.828 530 D CB -0.359 40.382 40.800 -0.098 0.000 0.963 530 D HN 0.360 nan 8.370 nan 0.000 0.450 531 R N 0.503 120.949 120.500 -0.091 0.000 2.091 531 R HA -0.071 4.268 4.340 -0.002 0.000 0.238 531 R C 2.424 178.673 176.300 -0.085 0.000 1.136 531 R CA 0.911 56.993 56.100 -0.030 0.000 0.959 531 R CB -0.179 30.140 30.300 0.032 0.000 0.856 531 R HN 0.228 nan 8.270 nan 0.000 0.437 532 R N 0.215 120.541 120.500 -0.290 0.000 2.083 532 R HA -0.130 4.209 4.340 -0.002 0.000 0.237 532 R C 2.386 178.622 176.300 -0.106 0.000 1.137 532 R CA 1.711 57.561 56.100 -0.415 0.000 0.951 532 R CB -0.591 29.411 30.300 -0.497 0.000 0.851 532 R HN 0.072 nan 8.270 nan 0.000 0.434 533 V N 1.044 120.904 119.914 -0.091 0.000 2.255 533 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 533 V C 2.311 178.414 176.094 0.014 0.000 1.051 533 V CA 1.843 64.123 62.300 -0.032 0.000 1.018 533 V CB -0.546 31.246 31.823 -0.051 0.000 0.641 533 V HN 0.254 nan 8.190 nan 0.000 0.445 534 Q N -0.715 119.098 119.800 0.021 0.000 2.077 534 Q HA -0.219 4.119 4.340 -0.002 0.000 0.206 534 Q C 1.958 178.018 176.000 0.100 0.000 0.989 534 Q CA 2.082 57.915 55.803 0.050 0.000 0.853 534 Q CB -0.793 27.977 28.738 0.053 0.000 0.907 534 Q HN 0.664 nan 8.270 nan 0.000 0.418 535 F N -0.064 119.894 119.950 0.013 0.000 2.192 535 F HA -0.148 4.377 4.527 -0.002 0.000 0.301 535 F C 1.834 177.671 175.800 0.061 0.000 1.079 535 F CA 1.791 59.838 58.000 0.078 0.000 1.303 535 F CB -0.530 38.575 39.000 0.176 0.000 1.024 535 F HN 0.122 nan 8.300 nan 0.000 0.494 536 G N 0.482 109.323 108.800 0.068 0.000 2.404 536 G HA2 -0.204 3.754 3.960 -0.002 0.000 0.215 536 G HA3 -0.204 3.754 3.960 -0.002 0.000 0.215 536 G C 1.775 176.643 174.900 -0.052 0.000 1.174 536 G CA 1.067 46.166 45.100 -0.002 0.000 0.780 536 G HN 0.439 nan 8.290 nan 0.000 0.537 537 I N 0.390 120.942 120.570 -0.030 0.000 2.099 537 I HA -0.181 3.988 4.170 -0.002 0.000 0.239 537 I C 2.663 178.738 176.117 -0.069 0.000 1.066 537 I CA 1.721 63.002 61.300 -0.031 0.000 1.324 537 I CB -0.279 37.710 38.000 -0.017 0.000 1.037 537 I HN 0.270 nan 8.210 nan 0.000 0.401 538 E N 0.759 120.905 120.200 -0.090 0.000 2.021 538 E HA -0.277 4.072 4.350 -0.002 0.000 0.200 538 E C 2.218 178.714 176.600 -0.173 0.000 1.015 538 E CA 2.397 58.732 56.400 -0.109 0.000 0.824 538 E CB -0.015 29.633 29.700 -0.087 0.000 0.762 538 E HN 0.501 nan 8.360 nan 0.000 0.454 539 S N -0.078 115.439 115.700 -0.306 0.000 2.407 539 S HA -0.190 4.278 4.470 -0.002 0.000 0.235 539 S C 2.003 176.483 174.600 -0.201 0.000 1.036 539 S CA 1.032 59.046 58.200 -0.310 0.000 1.013 539 S CB -0.783 62.137 63.200 -0.467 0.000 0.820 539 S HN 0.488 nan 8.310 nan 0.000 0.476 540 G N 1.823 110.550 108.800 -0.122 0.000 2.394 540 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.214 540 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.214 540 G C 1.449 176.280 174.900 -0.116 0.000 1.176 540 G CA 0.698 45.778 45.100 -0.032 0.000 0.786 540 G HN 0.472 nan 8.290 nan 0.000 0.533 541 K N -0.163 120.178 120.400 -0.099 0.000 1.991 541 K HA 0.077 4.396 4.320 -0.002 0.000 0.212 541 K C 2.377 178.888 176.600 -0.148 0.000 1.049 541 K CA 0.886 57.114 56.287 -0.098 0.000 0.932 541 K CB -0.479 31.979 32.500 -0.070 0.000 0.717 541 K HN 0.167 nan 8.250 nan 0.000 0.441 542 L N 1.122 122.250 121.223 -0.157 0.000 2.137 542 L HA -0.242 4.096 4.340 -0.002 0.000 0.213 542 L C 1.566 178.298 176.870 -0.230 0.000 1.085 542 L CA 1.703 56.446 54.840 -0.162 0.000 0.760 542 L CB -0.104 41.873 42.059 -0.138 0.000 0.893 542 L HN 0.271 nan 8.230 nan 0.000 0.434 543 R N -1.201 119.068 120.500 -0.386 0.000 2.362 543 R HA 0.231 4.570 4.340 -0.002 0.000 0.227 543 R C 1.053 177.002 176.300 -0.585 0.000 0.905 543 R CA 0.573 56.352 56.100 -0.535 0.000 1.067 543 R CB 0.375 30.183 30.300 -0.821 0.000 1.078 543 R HN 0.349 nan 8.270 nan 0.000 0.516 544 G N 1.110 109.662 108.800 -0.413 0.000 2.149 544 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.235 544 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.235 544 G C 0.371 175.189 174.900 -0.135 0.000 1.018 544 G CA -0.160 44.800 45.100 -0.234 0.000 0.728 544 G HN 0.430 nan 8.290 nan 0.000 0.508 545 F N -0.342 119.529 119.950 -0.132 0.000 2.416 545 F HA 0.378 4.904 4.527 -0.002 0.000 0.296 545 F C 1.374 177.104 175.800 -0.116 0.000 1.099 545 F CA 0.241 58.145 58.000 -0.161 0.000 1.427 545 F CB 0.205 39.079 39.000 -0.211 0.000 1.079 545 F HN 0.100 nan 8.300 nan 0.000 0.536 546 L N 0.150 121.414 121.223 0.069 0.000 2.431 546 L HA 0.599 4.938 4.340 -0.002 0.000 0.266 546 L C -0.587 176.277 176.870 -0.010 0.000 0.978 546 L CA -1.127 53.727 54.840 0.023 0.000 0.822 546 L CB 1.819 43.889 42.059 0.019 0.000 1.310 546 L HN -0.248 nan 8.230 nan 0.000 0.409 547 R N 0.781 121.275 120.500 -0.011 0.000 2.832 547 R HA 0.614 4.953 4.340 -0.002 0.000 0.271 547 R C -0.766 175.525 176.300 -0.015 0.000 0.996 547 R CA -1.097 54.993 56.100 -0.017 0.000 0.977 547 R CB 2.380 32.671 30.300 -0.015 0.000 1.168 547 R HN 0.380 nan 8.270 nan 0.000 0.482 548 V N 1.424 121.328 119.914 -0.016 0.000 2.694 548 V HA 0.153 4.271 4.120 -0.002 0.000 0.306 548 V C 1.658 177.745 176.094 -0.011 0.000 1.054 548 V CA 1.490 63.782 62.300 -0.013 0.000 1.161 548 V CB 0.396 32.211 31.823 -0.013 0.000 0.916 548 V HN 1.072 nan 8.190 nan 0.000 0.490 549 G N 3.086 111.880 108.800 -0.010 0.000 2.299 549 G HA2 -0.216 3.742 3.960 -0.002 0.000 0.237 549 G HA3 -0.216 3.742 3.960 -0.002 0.000 0.237 549 G C -0.009 174.885 174.900 -0.010 0.000 1.027 549 G CA 0.121 45.216 45.100 -0.009 0.000 0.619 549 G HN 0.723 nan 8.290 nan 0.000 0.513 550 D N 0.678 121.070 120.400 -0.012 0.000 2.390 550 D HA 0.456 5.094 4.640 -0.002 0.000 0.236 550 D C 0.991 177.281 176.300 -0.017 0.000 1.189 550 D CA 0.252 54.242 54.000 -0.016 0.000 0.887 550 D CB 0.588 41.378 40.800 -0.016 0.000 1.198 550 D HN 0.381 nan 8.370 nan 0.000 0.444 551 L N 0.782 121.992 121.223 -0.022 0.000 2.334 551 L HA 0.563 4.902 4.340 -0.002 0.000 0.275 551 L C -0.294 176.557 176.870 -0.031 0.000 1.036 551 L CA -0.866 53.960 54.840 -0.023 0.000 0.807 551 L CB 1.781 43.827 42.059 -0.022 0.000 1.231 551 L HN 0.022 nan 8.230 nan 0.000 0.438 552 V N 3.747 123.644 119.914 -0.028 0.000 2.760 552 V HA 0.447 4.565 4.120 -0.002 0.000 0.309 552 V C -0.482 175.595 176.094 -0.029 0.000 1.077 552 V CA -0.585 61.696 62.300 -0.031 0.000 0.910 552 V CB 2.489 34.298 31.823 -0.022 0.000 1.008 552 V HN 0.386 nan 8.190 nan 0.000 0.424 553 I N 5.971 126.519 120.570 -0.036 0.000 2.396 553 I HA 0.467 4.636 4.170 -0.002 0.000 0.292 553 I C -0.057 176.050 176.117 -0.017 0.000 0.999 553 I CA -0.375 60.909 61.300 -0.027 0.000 1.310 553 I CB 1.490 39.469 38.000 -0.035 0.000 1.404 553 I HN 0.196 nan 8.210 nan 0.000 0.496 554 V N 6.878 126.787 119.914 -0.008 0.000 2.495 554 V HA 0.451 4.570 4.120 -0.002 0.000 0.298 554 V C -0.053 176.044 176.094 0.006 0.000 1.031 554 V CA -0.723 61.574 62.300 -0.004 0.000 0.871 554 V CB 2.493 34.310 31.823 -0.010 0.000 0.988 554 V HN 0.442 nan 8.190 nan 0.000 0.432 555 V N 4.765 124.687 119.914 0.013 0.000 2.378 555 V HA 0.703 4.822 4.120 -0.002 0.000 0.288 555 V C 0.316 176.431 176.094 0.034 0.000 1.016 555 V CA -0.066 62.252 62.300 0.030 0.000 0.840 555 V CB 1.862 33.708 31.823 0.039 0.000 0.994 555 V HN 1.115 nan 8.190 nan 0.000 0.431 556 T N 1.935 116.518 114.554 0.049 0.000 2.645 556 T HA 0.910 5.259 4.350 -0.002 0.000 0.273 556 T C 0.008 174.781 174.700 0.121 0.000 0.960 556 T CA -0.314 61.819 62.100 0.054 0.000 1.051 556 T CB 1.983 70.851 68.868 -0.001 0.000 1.366 556 T HN 0.859 nan 8.240 nan 0.000 0.536 557 G N -1.051 107.848 108.800 0.165 0.000 2.730 557 G HA2 0.506 4.464 3.960 -0.002 0.000 0.289 557 G HA3 0.506 4.464 3.960 -0.002 0.000 0.289 557 G C 0.108 175.214 174.900 0.343 0.000 1.341 557 G CA -0.671 44.576 45.100 0.245 0.000 0.932 557 G HN 0.952 nan 8.290 nan 0.000 0.481 558 W N 0.096 121.533 121.300 0.228 0.000 3.197 558 W HA 0.322 4.981 4.660 -0.002 0.000 0.274 558 W C 0.132 176.736 176.519 0.142 0.000 1.297 558 W CA -0.105 57.358 57.345 0.198 0.000 1.662 558 W CB -0.265 29.248 29.460 0.089 0.000 1.106 558 W HN 0.549 nan 8.180 nan 0.000 0.663 559 R N -0.924 119.197 120.500 -0.631 0.000 2.690 559 R HA 0.557 4.895 4.340 -0.002 0.000 0.269 559 R C -3.356 172.294 176.300 -1.082 0.000 1.037 559 R CA -1.760 53.600 56.100 -1.233 0.000 0.877 559 R CB 0.013 29.367 30.300 -1.577 0.000 1.255 559 R HN -0.390 nan 8.270 nan 0.000 0.467 560 P HA 0.399 nan 4.420 nan 0.000 0.271 560 P C -0.237 176.876 177.300 -0.313 0.000 1.244 560 P CA 0.909 63.619 63.100 -0.651 0.000 0.793 560 P CB 0.496 31.706 31.700 -0.817 0.000 0.984 561 G N -0.417 108.340 108.800 -0.071 0.000 2.716 561 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.686 561 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.686 561 G C 0.019 174.992 174.900 0.122 0.000 1.337 561 G CA -0.220 44.892 45.100 0.021 0.000 0.829 561 G HN 0.684 nan 8.290 nan 0.000 0.599 562 S N 0.084 115.824 115.700 0.066 0.000 2.596 562 S HA 0.593 5.062 4.470 -0.002 0.000 0.260 562 S C 1.925 176.449 174.600 -0.125 0.000 1.336 562 S CA 1.652 59.859 58.200 0.013 0.000 0.993 562 S CB 0.867 64.054 63.200 -0.022 0.000 0.923 562 S HN 2.869 nan 8.310 nan 0.000 0.567 563 G N 0.987 109.684 108.800 -0.173 0.000 2.176 563 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.253 563 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.253 563 G C 0.125 174.769 174.900 -0.427 0.000 0.979 563 G CA 0.686 45.573 45.100 -0.355 0.000 0.641 563 G HN 0.850 nan 8.290 nan 0.000 0.530 564 Y N 1.120 121.411 120.300 -0.015 0.000 2.706 564 Y HA 0.414 4.963 4.550 -0.002 0.000 0.255 564 Y C 1.363 177.317 175.900 0.090 0.000 1.163 564 Y CA -0.094 58.016 58.100 0.016 0.000 1.174 564 Y CB 0.383 38.676 38.460 -0.277 0.000 1.200 564 Y HN 0.117 nan 8.280 nan 0.000 0.544 565 T N 3.489 118.161 114.554 0.196 0.000 2.908 565 T HA -0.016 4.333 4.350 -0.002 0.000 0.301 565 T C 0.904 175.737 174.700 0.222 0.000 1.019 565 T CA 0.578 62.787 62.100 0.182 0.000 1.152 565 T CB 0.042 68.982 68.868 0.119 0.000 0.966 565 T HN 0.661 nan 8.240 nan 0.000 0.540 566 N N 2.525 121.369 118.700 0.240 0.000 2.093 566 N HA 0.064 4.803 4.740 -0.002 0.000 0.226 566 N C -0.790 174.823 175.510 0.171 0.000 1.388 566 N CA -0.199 52.985 53.050 0.224 0.000 0.752 566 N CB -0.051 38.627 38.487 0.318 0.000 1.240 566 N HN 0.496 nan 8.380 nan 0.000 0.529 567 I N 1.194 121.852 120.570 0.146 0.000 2.647 567 I HA 0.499 4.668 4.170 -0.002 0.000 0.295 567 I C -0.782 175.379 176.117 0.073 0.000 1.078 567 I CA -0.635 60.730 61.300 0.107 0.000 1.048 567 I CB 2.450 40.519 38.000 0.116 0.000 1.239 567 I HN -0.002 nan 8.210 nan 0.000 0.421 568 M N 6.003 125.635 119.600 0.053 0.000 2.267 568 M HA 0.573 5.052 4.480 -0.002 0.000 0.289 568 M C -1.780 174.535 176.300 0.024 0.000 1.043 568 M CA -0.336 54.985 55.300 0.035 0.000 0.928 568 M CB 2.287 34.906 32.600 0.033 0.000 1.613 568 M HN 0.666 nan 8.290 nan 0.000 0.450 569 R N 2.493 123.001 120.500 0.014 0.000 2.795 569 R HA 0.763 5.102 4.340 -0.002 0.000 0.275 569 R C -1.435 174.865 176.300 0.000 0.000 0.981 569 R CA -0.968 55.136 56.100 0.008 0.000 0.917 569 R CB 2.788 33.090 30.300 0.004 0.000 1.202 569 R HN 0.515 nan 8.270 nan 0.000 0.469 570 V N 4.171 124.084 119.914 -0.001 0.000 2.357 570 V HA 0.443 4.561 4.120 -0.002 0.000 0.284 570 V C -0.300 175.790 176.094 -0.007 0.000 1.018 570 V CA -0.578 61.719 62.300 -0.005 0.000 0.841 570 V CB 1.201 33.022 31.823 -0.003 0.000 0.991 570 V HN 0.475 nan 8.190 nan 0.000 0.437 571 L N 4.059 125.276 121.223 -0.010 0.000 2.354 571 L HA 0.707 5.045 4.340 -0.002 0.000 0.269 571 L C 0.110 176.973 176.870 -0.011 0.000 1.005 571 L CA -0.526 54.308 54.840 -0.010 0.000 0.819 571 L CB 2.584 44.636 42.059 -0.011 0.000 1.311 571 L HN 0.681 nan 8.230 nan 0.000 0.423 572 S N 1.529 117.224 115.700 -0.010 0.000 2.489 572 S HA 0.630 5.099 4.470 -0.002 0.000 0.291 572 S C -0.111 174.483 174.600 -0.010 0.000 1.151 572 S CA -0.900 57.294 58.200 -0.010 0.000 1.082 572 S CB 1.717 64.913 63.200 -0.008 0.000 1.019 572 S HN 0.275 nan 8.310 nan 0.000 0.492 573 I N 0.000 120.564 120.570 -0.011 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 573 I CA 0.000 61.294 61.300 -0.011 0.000 1.566 573 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494