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 2yvx_1_B DATA FIRST_RESID 7 DATA SEQUENCE VSLQEALQEG DTRALREVLE EIHPQDLLAL WDELKGEHRY VVLTLLPKAK DATA SEQUENCE AAEVLSHLSP EEQAEYLKTL PPWRLREILE ELSLDDLADA LQAVRKEDPA DATA SEQUENCE YFQRLKDLLD PRTRAEVEAL ARYEEDEAGG LMTPEYVAVR EGMTVEEVLR DATA SEQUENCE FLRRAAPDAE TIYYIYVVDE KGRLKGVLSL RDLIVADPRT RVAEIMNPKV DATA SEQUENCE VYVRTDTDQE EVARLMADYD FTVLPVVDEE GRLVGIVTVD DVLDVLEAEA DATA SEQUENCE TEDIHKLGAV DVPDLVYSEA GPVALWLARV RWLVILILTG MVTSSILQGF DATA SEQUENCE ESVLEAVTAL AFYVPVLLGT GGNTGNQSAT LIIRALATRD LDLRDWRRVF DATA SEQUENCE LKEMGVGLLL GLTLSFLLVG KVYWDGHPLL LPVVGVSLVL IVFFANLVGA DATA SEQUENCE MLPFLLRRLG VDPALVSNPL VATLSDVTGL LIYLSVARLL LE 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.105 176.094 0.019 0.000 1.182 7 V CA 0.000 62.313 62.300 0.022 0.000 1.235 7 V CB 0.000 31.833 31.823 0.017 0.000 1.184 8 S N -0.002 115.711 115.700 0.022 0.000 2.492 8 S HA 0.093 4.563 4.470 -0.000 0.000 0.218 8 S C 1.763 176.378 174.600 0.024 0.000 1.016 8 S CA 0.846 59.058 58.200 0.020 0.000 0.916 8 S CB 0.333 63.545 63.200 0.020 0.000 0.791 8 S HN 0.602 nan 8.310 nan 0.000 0.513 9 L N 1.435 122.676 121.223 0.030 0.000 2.151 9 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 9 L C 2.123 179.017 176.870 0.040 0.000 1.084 9 L CA 1.781 56.643 54.840 0.038 0.000 0.764 9 L CB -0.631 41.456 42.059 0.046 0.000 0.891 9 L HN 0.394 nan 8.230 nan 0.000 0.435 10 Q N -0.523 119.294 119.800 0.028 0.000 2.594 10 Q HA -0.201 4.139 4.340 -0.000 0.000 0.219 10 Q C 1.240 177.263 176.000 0.038 0.000 0.980 10 Q CA 0.757 56.576 55.803 0.027 0.000 0.962 10 Q CB 0.139 28.872 28.738 -0.008 0.000 0.987 10 Q HN 0.602 nan 8.270 nan 0.000 0.553 11 E N 0.372 120.594 120.200 0.036 0.000 2.182 11 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 11 E C 0.484 177.104 176.600 0.034 0.000 0.933 11 E CA 0.777 57.196 56.400 0.032 0.000 0.940 11 E CB -0.218 29.495 29.700 0.023 0.000 0.945 11 E HN 0.100 nan 8.360 nan 0.000 0.477 12 A N 0.945 123.784 122.820 0.031 0.000 2.900 12 A HA 0.359 4.679 4.320 -0.000 0.000 0.246 12 A C 0.710 178.312 177.584 0.031 0.000 1.725 12 A CA 0.401 52.453 52.037 0.026 0.000 1.400 12 A CB -0.796 18.218 19.000 0.023 0.000 0.973 12 A HN 0.353 nan 8.150 nan 0.000 0.635 13 L N -2.025 119.221 121.223 0.038 0.000 4.117 13 L HA 0.150 4.490 4.340 -0.000 0.000 0.403 13 L C 1.554 178.437 176.870 0.022 0.000 1.051 13 L CA 0.934 55.796 54.840 0.037 0.000 1.521 13 L CB -0.482 41.638 42.059 0.102 0.000 1.894 13 L HN 0.481 nan 8.230 nan 0.000 0.632 14 Q N 0.465 120.294 119.800 0.049 0.000 2.167 14 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 14 Q C 1.447 177.450 176.000 0.005 0.000 0.970 14 Q CA 2.013 57.845 55.803 0.047 0.000 0.855 14 Q CB 0.204 28.974 28.738 0.053 0.000 0.911 14 Q HN 0.757 nan 8.270 nan 0.000 0.438 15 E N -1.383 118.815 120.200 -0.002 0.000 2.285 15 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 15 E C 0.913 177.496 176.600 -0.028 0.000 0.997 15 E CA 0.560 56.953 56.400 -0.012 0.000 0.845 15 E CB -0.066 29.630 29.700 -0.006 0.000 0.782 15 E HN 0.354 nan 8.360 nan 0.000 0.491 16 G N 2.107 110.882 108.800 -0.043 0.000 2.273 16 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 16 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 16 G C -0.043 174.833 174.900 -0.040 0.000 1.047 16 G CA 0.662 45.726 45.100 -0.061 0.000 0.869 16 G HN 0.439 nan 8.290 nan 0.000 0.502 17 D N -1.199 119.186 120.400 -0.026 0.000 2.166 17 D HA 0.570 5.210 4.640 -0.000 0.000 0.295 17 D C 1.943 178.233 176.300 -0.016 0.000 1.145 17 D CA 1.562 55.551 54.000 -0.019 0.000 0.901 17 D CB 0.432 41.225 40.800 -0.011 0.000 0.957 17 D HN 0.189 nan 8.370 nan 0.000 0.301 18 T N -2.035 112.514 114.554 -0.009 0.000 3.786 18 T HA 0.129 4.479 4.350 -0.000 0.000 0.312 18 T C 1.585 176.286 174.700 0.002 0.000 0.902 18 T CA -0.239 61.859 62.100 -0.004 0.000 1.133 18 T CB 0.165 69.028 68.868 -0.007 0.000 1.109 18 T HN -0.034 nan 8.240 nan 0.000 0.521 19 R N 1.975 122.474 120.500 -0.001 0.000 2.126 19 R HA 0.146 4.486 4.340 -0.000 0.000 0.224 19 R C 2.653 178.957 176.300 0.006 0.000 1.128 19 R CA 1.760 57.861 56.100 0.002 0.000 0.895 19 R CB -0.681 29.618 30.300 -0.000 0.000 0.817 19 R HN 0.346 nan 8.270 nan 0.000 0.435 20 A N 0.850 123.674 122.820 0.006 0.000 2.139 20 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 20 A C 1.959 179.551 177.584 0.013 0.000 1.159 20 A CA 1.210 53.253 52.037 0.009 0.000 0.662 20 A CB -0.455 18.550 19.000 0.009 0.000 0.796 20 A HN 0.301 nan 8.150 nan 0.000 0.463 21 L N -0.594 120.637 121.223 0.013 0.000 2.102 21 L HA 0.079 4.419 4.340 -0.000 0.000 0.202 21 L C 2.170 179.053 176.870 0.021 0.000 1.076 21 L CA 1.617 56.469 54.840 0.019 0.000 0.761 21 L CB -0.654 41.414 42.059 0.016 0.000 0.921 21 L HN 0.316 nan 8.230 nan 0.000 0.444 22 R N -0.217 120.294 120.500 0.019 0.000 2.293 22 R HA -0.133 4.207 4.340 -0.000 0.000 0.219 22 R C 1.903 178.214 176.300 0.018 0.000 1.091 22 R CA 0.959 57.072 56.100 0.020 0.000 1.004 22 R CB -0.244 30.068 30.300 0.019 0.000 0.865 22 R HN 0.553 nan 8.270 nan 0.000 0.469 23 E N 0.574 120.784 120.200 0.016 0.000 2.358 23 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 23 E C 1.200 177.811 176.600 0.018 0.000 1.010 23 E CA 0.551 56.959 56.400 0.015 0.000 0.856 23 E CB 0.430 30.138 29.700 0.013 0.000 0.795 23 E HN 0.130 nan 8.360 nan 0.000 0.504 24 V N 0.784 120.711 119.914 0.022 0.000 2.581 24 V HA -0.050 4.070 4.120 -0.000 0.000 0.240 24 V C 1.542 177.653 176.094 0.028 0.000 1.054 24 V CA 0.507 62.823 62.300 0.027 0.000 1.076 24 V CB -0.028 31.814 31.823 0.031 0.000 0.748 24 V HN 0.254 nan 8.190 nan 0.000 0.474 25 L N 1.513 122.753 121.223 0.028 0.000 2.858 25 L HA 0.137 4.477 4.340 -0.000 0.000 0.243 25 L C 1.143 178.022 176.870 0.015 0.000 1.416 25 L CA 0.661 55.517 54.840 0.027 0.000 1.182 25 L CB -0.585 41.493 42.059 0.031 0.000 1.564 25 L HN 0.405 nan 8.230 nan 0.000 0.436 26 E N -0.074 120.133 120.200 0.013 0.000 2.537 26 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 26 E C 1.054 177.658 176.600 0.005 0.000 0.987 26 E CA 0.232 56.635 56.400 0.004 0.000 1.607 26 E CB 0.370 30.074 29.700 0.007 0.000 2.499 26 E HN 0.386 nan 8.360 nan 0.000 1.073 27 E N 0.600 120.809 120.200 0.016 0.000 2.526 27 E HA 0.256 4.606 4.350 -0.000 0.000 0.208 27 E C 0.161 176.783 176.600 0.037 0.000 0.997 27 E CA 0.021 56.435 56.400 0.022 0.000 0.961 27 E CB 0.945 30.659 29.700 0.023 0.000 1.030 27 E HN 0.369 nan 8.360 nan 0.000 0.483 28 I N -1.171 119.422 120.570 0.038 0.000 2.377 28 I HA 0.368 4.538 4.170 -0.000 0.000 0.293 28 I C 0.102 176.264 176.117 0.075 0.000 0.987 28 I CA -0.973 60.365 61.300 0.064 0.000 1.185 28 I CB 1.145 39.181 38.000 0.061 0.000 1.341 28 I HN -0.131 nan 8.210 nan 0.000 0.455 29 H N 7.620 126.696 119.070 0.010 0.000 2.848 29 H HA 0.196 4.752 4.556 -0.000 0.000 0.341 29 H C -1.939 173.386 175.328 -0.005 0.000 1.060 29 H CA -1.271 54.778 56.048 0.002 0.000 1.444 29 H CB 1.797 31.563 29.762 0.006 0.000 1.446 29 H HN 0.490 nan 8.280 nan 0.000 0.583 30 P HA -0.242 nan 4.420 nan 0.000 0.218 30 P C 1.493 178.855 177.300 0.103 0.000 1.154 30 P CA 1.482 64.585 63.100 0.004 0.000 0.872 30 P CB 0.387 32.003 31.700 -0.140 0.000 0.790 31 Q N -0.346 119.617 119.800 0.272 0.000 2.061 31 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 31 Q C 1.889 177.950 176.000 0.102 0.000 0.984 31 Q CA 1.783 57.671 55.803 0.142 0.000 0.846 31 Q CB -1.400 27.387 28.738 0.082 0.000 0.902 31 Q HN 0.362 nan 8.270 nan 0.000 0.421 32 D N 0.405 120.868 120.400 0.106 0.000 2.170 32 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 32 D C 1.907 178.270 176.300 0.105 0.000 1.004 32 D CA 1.027 55.078 54.000 0.084 0.000 0.860 32 D CB -0.140 40.712 40.800 0.085 0.000 0.931 32 D HN 0.073 nan 8.370 nan 0.000 0.448 33 L N -0.039 121.258 121.223 0.124 0.000 2.005 33 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 33 L C 2.340 179.346 176.870 0.227 0.000 1.072 33 L CA 1.104 56.048 54.840 0.174 0.000 0.744 33 L CB -0.679 41.484 42.059 0.173 0.000 0.895 33 L HN 0.130 nan 8.230 nan 0.000 0.433 34 L N -0.828 120.477 121.223 0.136 0.000 2.081 34 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 34 L C 2.593 179.570 176.870 0.178 0.000 1.080 34 L CA 1.328 56.235 54.840 0.112 0.000 0.754 34 L CB -0.479 41.595 42.059 0.025 0.000 0.893 34 L HN 0.364 nan 8.230 nan 0.000 0.433 35 A N -0.347 122.555 122.820 0.137 0.000 1.902 35 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 35 A C 1.868 179.532 177.584 0.133 0.000 1.181 35 A CA 1.257 53.362 52.037 0.115 0.000 0.623 35 A CB -0.436 18.611 19.000 0.077 0.000 0.818 35 A HN 0.463 nan 8.150 nan 0.000 0.443 36 L N -1.528 119.784 121.223 0.147 0.000 2.685 36 L HA 0.062 4.402 4.340 -0.000 0.000 0.233 36 L C 1.844 178.806 176.870 0.152 0.000 1.173 36 L CA -0.398 54.512 54.840 0.116 0.000 0.961 36 L CB -0.240 41.864 42.059 0.075 0.000 1.217 36 L HN 0.706 nan 8.230 nan 0.000 0.478 37 W N 2.647 123.967 121.300 0.032 0.000 2.441 37 W HA -0.149 4.511 4.660 -0.000 0.000 0.302 37 W C 1.720 178.272 176.519 0.054 0.000 1.191 37 W CA 1.778 59.150 57.345 0.044 0.000 1.327 37 W CB 0.094 29.586 29.460 0.053 0.000 1.128 37 W HN 0.426 nan 8.180 nan 0.000 0.522 38 D N -0.070 120.498 120.400 0.280 0.000 2.378 38 D HA -0.156 4.484 4.640 -0.000 0.000 0.227 38 D C 0.721 177.046 176.300 0.040 0.000 1.012 38 D CA 0.790 54.886 54.000 0.161 0.000 0.905 38 D CB -0.655 40.253 40.800 0.180 0.000 0.895 38 D HN 0.327 nan 8.370 nan 0.000 0.532 39 E N 0.016 120.225 120.200 0.014 0.000 2.499 39 E HA 0.250 4.600 4.350 -0.000 0.000 0.199 39 E C 0.311 176.854 176.600 -0.094 0.000 1.016 39 E CA -0.211 56.174 56.400 -0.025 0.000 0.933 39 E CB 0.818 30.517 29.700 -0.001 0.000 1.050 39 E HN 0.330 nan 8.360 nan 0.000 0.462 40 L N 0.292 121.419 121.223 -0.159 0.000 2.421 40 L HA 0.477 4.817 4.340 -0.000 0.000 0.267 40 L C 0.298 177.053 176.870 -0.190 0.000 1.036 40 L CA -0.972 53.726 54.840 -0.237 0.000 0.829 40 L CB 1.104 42.952 42.059 -0.352 0.000 1.437 40 L HN -0.168 nan 8.230 nan 0.000 0.488 41 K N -0.484 119.815 120.400 -0.168 0.000 2.208 41 K HA 0.294 4.614 4.320 -0.000 0.000 0.247 41 K C 0.736 177.346 176.600 0.017 0.000 0.953 41 K CA -0.431 55.828 56.287 -0.046 0.000 0.837 41 K CB 1.626 34.136 32.500 0.016 0.000 1.131 41 K HN 0.758 nan 8.250 nan 0.000 0.431 42 G N 1.170 109.991 108.800 0.035 0.000 2.564 42 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 42 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 42 G C 0.839 175.834 174.900 0.158 0.000 1.120 42 G CA 0.980 46.124 45.100 0.073 0.000 0.752 42 G HN 0.676 nan 8.290 nan 0.000 0.558 43 E N -0.955 119.340 120.200 0.158 0.000 2.152 43 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 43 E C 2.114 178.755 176.600 0.069 0.000 0.934 43 E CA -0.051 56.432 56.400 0.138 0.000 0.869 43 E CB 0.061 29.802 29.700 0.070 0.000 0.842 43 E HN 0.455 nan 8.360 nan 0.000 0.472 44 H N 1.106 120.156 119.070 -0.033 0.000 2.289 44 H HA -0.088 4.468 4.556 -0.000 0.000 0.296 44 H C 2.142 177.402 175.328 -0.113 0.000 1.091 44 H CA 1.734 57.739 56.048 -0.072 0.000 1.274 44 H CB -0.111 29.592 29.762 -0.099 0.000 1.364 44 H HN -0.056 nan 8.280 nan 0.000 0.490 45 R N -0.521 119.926 120.500 -0.088 0.000 2.103 45 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 45 R C 2.010 178.277 176.300 -0.055 0.000 1.132 45 R CA 1.613 57.504 56.100 -0.348 0.000 0.925 45 R CB -0.709 29.203 30.300 -0.646 0.000 0.842 45 R HN 0.311 nan 8.270 nan 0.000 0.430 46 Y N 0.673 120.951 120.300 -0.037 0.000 2.516 46 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 46 Y C 1.386 177.288 175.900 0.005 0.000 1.166 46 Y CA 0.867 58.997 58.100 0.051 0.000 1.350 46 Y CB 0.055 38.588 38.460 0.121 0.000 0.967 46 Y HN -0.122 nan 8.280 nan 0.000 0.568 47 V N -2.332 117.600 119.914 0.029 0.000 3.570 47 V HA -0.038 4.082 4.120 -0.000 0.000 0.257 47 V C 1.963 178.052 176.094 -0.008 0.000 1.272 47 V CA 0.834 63.098 62.300 -0.060 0.000 1.079 47 V CB 0.447 32.201 31.823 -0.116 0.000 0.829 47 V HN 0.082 nan 8.190 nan 0.000 0.454 48 V N -0.233 119.690 119.914 0.015 0.000 2.535 48 V HA 0.028 4.148 4.120 -0.000 0.000 0.246 48 V C 1.870 178.004 176.094 0.067 0.000 1.045 48 V CA 1.163 63.493 62.300 0.050 0.000 1.058 48 V CB -0.142 31.732 31.823 0.085 0.000 0.689 48 V HN 0.428 nan 8.190 nan 0.000 0.461 49 L N 1.263 122.529 121.223 0.072 0.000 2.762 49 L HA -0.003 4.337 4.340 -0.000 0.000 0.250 49 L C 1.395 178.248 176.870 -0.029 0.000 1.160 49 L CA 1.243 56.101 54.840 0.029 0.000 0.951 49 L CB -0.333 41.716 42.059 -0.018 0.000 1.148 49 L HN 0.574 nan 8.230 nan 0.000 0.424 50 T N -4.628 109.918 114.554 -0.014 0.000 3.475 50 T HA 0.281 4.631 4.350 -0.000 0.000 0.310 50 T C 0.733 175.461 174.700 0.048 0.000 0.963 50 T CA -0.337 61.732 62.100 -0.052 0.000 0.985 50 T CB 0.065 68.916 68.868 -0.028 0.000 1.198 50 T HN 0.158 nan 8.240 nan 0.000 0.508 51 L N -0.265 120.984 121.223 0.042 0.000 2.658 51 L HA 0.558 4.898 4.340 -0.000 0.000 0.201 51 L C 0.641 177.537 176.870 0.044 0.000 1.050 51 L CA -0.563 54.316 54.840 0.065 0.000 0.893 51 L CB -0.323 41.768 42.059 0.054 0.000 1.503 51 L HN 0.122 nan 8.230 nan 0.000 0.485 52 L N 3.038 124.278 121.223 0.027 0.000 2.536 52 L HA 0.015 4.355 4.340 -0.000 0.000 0.294 52 L C -1.854 175.018 176.870 0.004 0.000 1.257 52 L CA -1.194 53.653 54.840 0.012 0.000 0.850 52 L CB -0.676 41.382 42.059 -0.002 0.000 1.105 52 L HN -0.022 nan 8.230 nan 0.000 0.517 53 P HA 0.020 nan 4.420 nan 0.000 0.270 53 P C 0.025 177.314 177.300 -0.019 0.000 1.223 53 P CA -0.288 62.809 63.100 -0.004 0.000 0.785 53 P CB 0.673 32.367 31.700 -0.010 0.000 0.923 54 K N 1.335 121.728 120.400 -0.012 0.000 2.071 54 K HA -0.286 4.034 4.320 -0.000 0.000 0.217 54 K C 2.045 178.621 176.600 -0.040 0.000 1.054 54 K CA 2.554 58.827 56.287 -0.023 0.000 0.937 54 K CB -0.899 31.594 32.500 -0.013 0.000 0.719 54 K HN 0.533 nan 8.250 nan 0.000 0.454 55 A N 1.675 124.470 122.820 -0.042 0.000 1.829 55 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 55 A C 1.981 179.516 177.584 -0.081 0.000 1.207 55 A CA 2.061 54.064 52.037 -0.057 0.000 0.622 55 A CB -0.622 18.345 19.000 -0.056 0.000 0.846 55 A HN 0.258 nan 8.150 nan 0.000 0.447 56 K N -0.426 119.921 120.400 -0.088 0.000 2.059 56 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 56 K C 2.291 178.824 176.600 -0.113 0.000 1.050 56 K CA 1.490 57.711 56.287 -0.110 0.000 0.927 56 K CB -0.475 31.971 32.500 -0.090 0.000 0.714 56 K HN 0.489 nan 8.250 nan 0.000 0.447 57 A N 1.447 124.215 122.820 -0.085 0.000 1.908 57 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 57 A C 2.398 179.911 177.584 -0.118 0.000 1.181 57 A CA 2.046 54.027 52.037 -0.093 0.000 0.627 57 A CB -0.769 18.189 19.000 -0.071 0.000 0.818 57 A HN 0.388 nan 8.150 nan 0.000 0.445 58 A N -0.225 122.536 122.820 -0.099 0.000 1.877 58 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 58 A C 1.977 179.491 177.584 -0.118 0.000 1.186 58 A CA 2.191 54.175 52.037 -0.089 0.000 0.620 58 A CB -0.552 18.410 19.000 -0.063 0.000 0.822 58 A HN 0.599 nan 8.150 nan 0.000 0.443 59 E N -0.001 120.106 120.200 -0.154 0.000 2.012 59 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 59 E C 1.804 178.181 176.600 -0.372 0.000 1.007 59 E CA 1.829 58.080 56.400 -0.249 0.000 0.816 59 E CB -0.863 28.680 29.700 -0.261 0.000 0.762 59 E HN 0.213 nan 8.360 nan 0.000 0.451 60 V N 0.138 119.855 119.914 -0.328 0.000 2.660 60 V HA -0.214 3.906 4.120 -0.000 0.000 0.257 60 V C 2.267 178.145 176.094 -0.359 0.000 1.088 60 V CA 1.944 64.028 62.300 -0.359 0.000 1.106 60 V CB -0.339 31.289 31.823 -0.326 0.000 0.686 60 V HN 0.437 nan 8.190 nan 0.000 0.481 61 L N -0.260 120.809 121.223 -0.258 0.000 2.102 61 L HA -0.004 4.336 4.340 -0.000 0.000 0.202 61 L C 2.650 179.477 176.870 -0.072 0.000 1.076 61 L CA 2.016 56.745 54.840 -0.186 0.000 0.761 61 L CB -0.385 41.604 42.059 -0.117 0.000 0.921 61 L HN 0.389 nan 8.230 nan 0.000 0.444 62 S N -1.251 114.446 115.700 -0.005 0.000 2.465 62 S HA -0.205 4.265 4.470 -0.000 0.000 0.241 62 S C 1.092 175.828 174.600 0.227 0.000 1.000 62 S CA 0.854 59.123 58.200 0.116 0.000 0.964 62 S CB -0.711 62.593 63.200 0.173 0.000 0.763 62 S HN 0.656 nan 8.310 nan 0.000 0.512 63 H N 0.318 119.328 119.070 -0.099 0.000 2.533 63 H HA 0.457 5.013 4.556 -0.000 0.000 0.281 63 H C -0.601 174.654 175.328 -0.121 0.000 1.238 63 H CA -0.434 55.560 56.048 -0.090 0.000 1.024 63 H CB 0.127 29.841 29.762 -0.080 0.000 1.604 63 H HN 0.276 nan 8.280 nan 0.000 0.531 64 L N 1.357 122.579 121.223 -0.002 0.000 2.388 64 L HA 0.264 4.604 4.340 -0.000 0.000 0.264 64 L C -0.007 176.860 176.870 -0.005 0.000 0.998 64 L CA -0.944 53.870 54.840 -0.042 0.000 0.817 64 L CB 2.182 44.182 42.059 -0.098 0.000 1.338 64 L HN 0.287 nan 8.230 nan 0.000 0.414 65 S N 2.743 118.450 115.700 0.012 0.000 2.573 65 S HA 0.005 4.475 4.470 -0.000 0.000 0.297 65 S C -1.668 172.934 174.600 0.004 0.000 1.280 65 S CA -0.908 57.299 58.200 0.011 0.000 1.061 65 S CB 0.097 63.312 63.200 0.026 0.000 0.812 65 S HN 0.558 nan 8.310 nan 0.000 0.500 66 P HA -0.242 nan 4.420 nan 0.000 0.217 66 P C 1.174 178.464 177.300 -0.016 0.000 1.151 66 P CA 1.573 64.665 63.100 -0.013 0.000 0.849 66 P CB 0.194 31.883 31.700 -0.019 0.000 0.787 67 E N -0.002 120.187 120.200 -0.017 0.000 2.170 67 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 67 E C 2.115 178.688 176.600 -0.044 0.000 0.981 67 E CA 0.384 56.764 56.400 -0.034 0.000 0.830 67 E CB -0.125 29.555 29.700 -0.033 0.000 0.775 67 E HN 0.211 nan 8.360 nan 0.000 0.470 68 E N 0.020 120.210 120.200 -0.016 0.000 2.347 68 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 68 E C 1.917 178.539 176.600 0.036 0.000 1.008 68 E CA 0.455 56.851 56.400 -0.006 0.000 0.852 68 E CB 0.254 30.005 29.700 0.085 0.000 0.783 68 E HN 0.332 nan 8.360 nan 0.000 0.505 69 Q N -0.186 119.635 119.800 0.034 0.000 1.922 69 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 69 Q C 2.232 178.258 176.000 0.044 0.000 0.979 69 Q CA 1.105 56.945 55.803 0.061 0.000 0.841 69 Q CB -0.200 28.554 28.738 0.027 0.000 0.903 69 Q HN 0.236 nan 8.270 nan 0.000 0.431 70 A N 1.049 123.866 122.820 -0.006 0.000 2.139 70 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 70 A C 1.781 179.305 177.584 -0.099 0.000 1.159 70 A CA 1.620 53.633 52.037 -0.039 0.000 0.662 70 A CB -0.530 18.435 19.000 -0.060 0.000 0.796 70 A HN 0.443 nan 8.150 nan 0.000 0.463 71 E N -1.463 118.665 120.200 -0.119 0.000 2.047 71 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 71 E C 0.601 177.063 176.600 -0.231 0.000 0.987 71 E CA 1.066 57.326 56.400 -0.233 0.000 0.799 71 E CB -0.122 29.381 29.700 -0.328 0.000 0.752 71 E HN 0.740 nan 8.360 nan 0.000 0.449 72 Y N -0.300 119.986 120.300 -0.023 0.000 2.495 72 Y HA 0.189 4.739 4.550 -0.000 0.000 0.293 72 Y C 1.003 176.906 175.900 0.005 0.000 1.186 72 Y CA 0.216 58.316 58.100 -0.002 0.000 1.266 72 Y CB 0.401 38.908 38.460 0.079 0.000 1.101 72 Y HN 0.051 nan 8.280 nan 0.000 0.517 73 L N -1.028 120.262 121.223 0.110 0.000 2.906 73 L HA 0.176 4.516 4.340 -0.000 0.000 0.255 73 L C 1.520 178.473 176.870 0.140 0.000 1.166 73 L CA 0.386 55.306 54.840 0.132 0.000 0.977 73 L CB 0.400 42.538 42.059 0.133 0.000 1.313 73 L HN -0.009 nan 8.230 nan 0.000 0.549 74 K N -1.309 119.083 120.400 -0.014 0.000 2.425 74 K HA 0.120 4.440 4.320 -0.000 0.000 0.201 74 K C 1.576 178.193 176.600 0.027 0.000 1.128 74 K CA 0.780 57.020 56.287 -0.079 0.000 1.000 74 K CB 0.886 33.171 32.500 -0.358 0.000 0.961 74 K HN 0.231 nan 8.250 nan 0.000 0.555 75 T N -0.673 113.885 114.554 0.006 0.000 3.044 75 T HA 0.172 4.522 4.350 -0.000 0.000 0.237 75 T C 0.864 175.676 174.700 0.188 0.000 1.001 75 T CA -0.407 61.667 62.100 -0.044 0.000 1.160 75 T CB -0.027 68.607 68.868 -0.391 0.000 0.889 75 T HN -0.162 nan 8.240 nan 0.000 0.442 76 L N 4.333 125.688 121.223 0.220 0.000 2.628 76 L HA 0.142 4.482 4.340 -0.000 0.000 0.292 76 L C -1.878 175.062 176.870 0.116 0.000 1.250 76 L CA -0.607 54.365 54.840 0.219 0.000 0.892 76 L CB -0.599 41.519 42.059 0.099 0.000 1.138 76 L HN 0.273 nan 8.230 nan 0.000 0.502 77 P HA 0.043 nan 4.420 nan 0.000 0.263 77 P C -1.972 175.200 177.300 -0.213 0.000 1.195 77 P CA -1.166 61.900 63.100 -0.057 0.000 0.762 77 P CB 0.075 31.727 31.700 -0.082 0.000 0.799 78 P HA -0.143 nan 4.420 nan 0.000 0.222 78 P C 1.310 178.628 177.300 0.030 0.000 1.142 78 P CA 1.494 64.607 63.100 0.022 0.000 0.788 78 P CB -0.415 31.338 31.700 0.089 0.000 0.767 79 W N 0.559 121.882 121.300 0.038 0.000 2.905 79 W HA 0.195 4.855 4.660 -0.000 0.000 0.251 79 W C 1.551 178.085 176.519 0.025 0.000 1.305 79 W CA 0.016 57.376 57.345 0.024 0.000 1.465 79 W CB -1.273 28.197 29.460 0.018 0.000 1.122 79 W HN -0.034 nan 8.180 nan 0.000 0.659 80 R N 0.854 120.998 120.500 -0.594 0.000 2.282 80 R HA 0.169 4.509 4.340 -0.000 0.000 0.195 80 R C 2.213 178.377 176.300 -0.227 0.000 0.909 80 R CA 0.252 56.033 56.100 -0.532 0.000 1.039 80 R CB -0.394 29.376 30.300 -0.884 0.000 1.015 80 R HN 0.076 nan 8.270 nan 0.000 0.513 81 L N 1.058 122.188 121.223 -0.154 0.000 1.976 81 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 81 L C 2.313 179.163 176.870 -0.033 0.000 1.071 81 L CA 1.955 56.758 54.840 -0.063 0.000 0.746 81 L CB -0.565 41.480 42.059 -0.023 0.000 0.890 81 L HN 0.263 nan 8.230 nan 0.000 0.432 82 R N 0.324 120.815 120.500 -0.016 0.000 2.377 82 R HA -0.157 4.183 4.340 -0.000 0.000 0.207 82 R C 1.703 178.003 176.300 -0.001 0.000 1.075 82 R CA 1.254 57.353 56.100 -0.002 0.000 1.035 82 R CB -0.310 29.997 30.300 0.012 0.000 0.857 82 R HN 0.511 nan 8.270 nan 0.000 0.475 83 E N 1.164 121.356 120.200 -0.014 0.000 2.110 83 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 83 E C 1.769 178.354 176.600 -0.025 0.000 0.950 83 E CA 0.464 56.858 56.400 -0.011 0.000 0.840 83 E CB 0.057 29.750 29.700 -0.013 0.000 0.809 83 E HN 0.424 nan 8.360 nan 0.000 0.465 84 I N 1.051 121.594 120.570 -0.045 0.000 2.202 84 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 84 I C 2.179 178.281 176.117 -0.025 0.000 1.091 84 I CA 0.612 61.886 61.300 -0.043 0.000 1.368 84 I CB -0.280 37.687 38.000 -0.055 0.000 1.058 84 I HN 0.124 nan 8.210 nan 0.000 0.410 85 L N 0.553 121.767 121.223 -0.014 0.000 2.351 85 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 85 L C 2.418 179.285 176.870 -0.004 0.000 1.127 85 L CA 1.659 56.498 54.840 -0.001 0.000 0.786 85 L CB -0.755 41.310 42.059 0.009 0.000 0.914 85 L HN 0.280 nan 8.230 nan 0.000 0.443 86 E N -0.609 119.586 120.200 -0.009 0.000 2.057 86 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 86 E C 1.446 178.038 176.600 -0.013 0.000 0.959 86 E CA 0.364 56.759 56.400 -0.009 0.000 0.828 86 E CB 0.043 29.739 29.700 -0.007 0.000 0.800 86 E HN 0.292 nan 8.360 nan 0.000 0.460 87 E N 1.120 121.310 120.200 -0.016 0.000 2.428 87 E HA -0.062 4.288 4.350 -0.000 0.000 0.199 87 E C -0.544 176.043 176.600 -0.023 0.000 1.172 87 E CA -0.027 56.361 56.400 -0.020 0.000 0.941 87 E CB -0.335 29.352 29.700 -0.022 0.000 1.001 87 E HN -0.121 nan 8.360 nan 0.000 0.501 88 L N 0.192 121.404 121.223 -0.018 0.000 2.325 88 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 88 L C -0.455 176.411 176.870 -0.007 0.000 1.004 88 L CA -0.491 54.340 54.840 -0.015 0.000 0.823 88 L CB 1.569 43.620 42.059 -0.013 0.000 1.236 88 L HN -0.172 nan 8.230 nan 0.000 0.415 89 S N 4.665 120.365 115.700 -0.001 0.000 2.571 89 S HA -0.008 4.462 4.470 -0.000 0.000 0.298 89 S C 1.303 175.904 174.600 0.002 0.000 1.280 89 S CA -0.204 57.998 58.200 0.005 0.000 1.052 89 S CB 0.306 63.517 63.200 0.019 0.000 0.799 89 S HN 0.755 nan 8.310 nan 0.000 0.501 90 L N 3.247 124.467 121.223 -0.005 0.000 1.994 90 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 90 L C 2.138 179.001 176.870 -0.011 0.000 1.071 90 L CA 2.634 57.468 54.840 -0.011 0.000 0.745 90 L CB -1.663 40.382 42.059 -0.023 0.000 0.892 90 L HN 0.882 nan 8.230 nan 0.000 0.431 91 D N -1.312 119.083 120.400 -0.009 0.000 2.104 91 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 91 D C 1.697 177.993 176.300 -0.007 0.000 0.994 91 D CA 1.470 55.463 54.000 -0.012 0.000 0.830 91 D CB -0.603 40.195 40.800 -0.005 0.000 0.959 91 D HN 0.302 nan 8.370 nan 0.000 0.452 92 D N -0.455 119.948 120.400 0.004 0.000 2.218 92 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 92 D C 2.057 178.362 176.300 0.007 0.000 0.976 92 D CA 0.512 54.519 54.000 0.011 0.000 0.853 92 D CB -0.054 40.767 40.800 0.035 0.000 0.939 92 D HN 0.241 nan 8.370 nan 0.000 0.481 93 L N 1.014 122.240 121.223 0.005 0.000 2.007 93 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 93 L C 2.281 179.154 176.870 0.005 0.000 1.073 93 L CA 1.914 56.759 54.840 0.009 0.000 0.744 93 L CB -0.895 41.170 42.059 0.010 0.000 0.898 93 L HN -0.057 nan 8.230 nan 0.000 0.435 94 A N 0.039 122.856 122.820 -0.004 0.000 1.873 94 A HA -0.405 3.915 4.320 -0.000 0.000 0.219 94 A C 1.966 179.534 177.584 -0.026 0.000 1.269 94 A CA 2.770 54.798 52.037 -0.016 0.000 0.671 94 A CB -1.601 17.379 19.000 -0.033 0.000 0.842 94 A HN 0.627 nan 8.150 nan 0.000 0.460 95 D N -0.497 119.888 120.400 -0.026 0.000 2.116 95 D HA -0.034 4.606 4.640 -0.000 0.000 0.193 95 D C 2.242 178.525 176.300 -0.029 0.000 0.998 95 D CA 1.962 55.944 54.000 -0.031 0.000 0.836 95 D CB -0.356 40.428 40.800 -0.025 0.000 0.951 95 D HN 0.516 nan 8.370 nan 0.000 0.449 96 A N 0.476 123.287 122.820 -0.014 0.000 1.877 96 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 96 A C 2.178 179.762 177.584 0.000 0.000 1.186 96 A CA 1.066 53.100 52.037 -0.004 0.000 0.620 96 A CB -0.954 18.052 19.000 0.009 0.000 0.822 96 A HN 0.324 nan 8.150 nan 0.000 0.443 97 L N -0.544 120.685 121.223 0.010 0.000 2.127 97 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 97 L C 2.627 179.476 176.870 -0.036 0.000 1.089 97 L CA 1.773 56.635 54.840 0.036 0.000 0.757 97 L CB -0.338 41.768 42.059 0.078 0.000 0.899 97 L HN 0.508 nan 8.230 nan 0.000 0.434 98 Q N -0.392 119.348 119.800 -0.100 0.000 2.119 98 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 98 Q C 2.367 178.293 176.000 -0.123 0.000 0.972 98 Q CA 1.312 57.005 55.803 -0.184 0.000 0.847 98 Q CB -0.297 28.354 28.738 -0.146 0.000 0.903 98 Q HN 0.707 nan 8.270 nan 0.000 0.433 99 A N 0.706 123.486 122.820 -0.067 0.000 1.940 99 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 99 A C 2.352 179.908 177.584 -0.047 0.000 1.190 99 A CA 1.789 53.798 52.037 -0.048 0.000 0.647 99 A CB -0.926 18.058 19.000 -0.027 0.000 0.821 99 A HN 0.236 nan 8.150 nan 0.000 0.457 100 V N -0.387 119.509 119.914 -0.029 0.000 2.295 100 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 100 V C 2.606 178.694 176.094 -0.009 0.000 1.049 100 V CA 2.355 64.653 62.300 -0.004 0.000 1.024 100 V CB -0.774 31.108 31.823 0.098 0.000 0.648 100 V HN 0.697 nan 8.190 nan 0.000 0.447 101 R N 0.446 120.907 120.500 -0.065 0.000 2.154 101 R HA -0.206 4.134 4.340 -0.000 0.000 0.248 101 R C 2.109 178.378 176.300 -0.051 0.000 1.155 101 R CA 1.631 57.674 56.100 -0.094 0.000 0.979 101 R CB -0.217 29.878 30.300 -0.342 0.000 0.869 101 R HN 0.460 nan 8.270 nan 0.000 0.452 102 K N -0.364 120.001 120.400 -0.058 0.000 2.555 102 K HA -0.084 4.236 4.320 -0.000 0.000 0.193 102 K C 0.928 177.514 176.600 -0.023 0.000 1.032 102 K CA 0.987 57.252 56.287 -0.037 0.000 1.004 102 K CB 0.246 32.723 32.500 -0.038 0.000 0.804 102 K HN 0.445 nan 8.250 nan 0.000 0.496 103 E N -0.420 119.766 120.200 -0.022 0.000 2.406 103 E HA 0.023 4.373 4.350 -0.000 0.000 0.204 103 E C -0.021 176.575 176.600 -0.007 0.000 0.820 103 E CA 0.085 56.469 56.400 -0.027 0.000 1.136 103 E CB 0.726 30.391 29.700 -0.059 0.000 1.129 103 E HN 0.018 nan 8.360 nan 0.000 0.530 104 D N 1.095 121.509 120.400 0.024 0.000 2.363 104 D HA 0.105 4.745 4.640 -0.000 0.000 0.258 104 D C -2.086 174.308 176.300 0.157 0.000 1.259 104 D CA -1.840 52.208 54.000 0.081 0.000 0.921 104 D CB 1.524 42.371 40.800 0.077 0.000 1.201 104 D HN -0.124 nan 8.370 nan 0.000 0.524 105 P HA -0.067 nan 4.420 nan 0.000 0.229 105 P C 0.770 178.191 177.300 0.203 0.000 1.150 105 P CA 0.471 63.677 63.100 0.176 0.000 0.765 105 P CB 0.605 32.374 31.700 0.115 0.000 0.783 106 A N -1.073 121.853 122.820 0.176 0.000 1.944 106 A HA -0.018 4.302 4.320 -0.000 0.000 0.209 106 A C 2.184 179.860 177.584 0.153 0.000 1.328 106 A CA 0.139 52.254 52.037 0.129 0.000 0.693 106 A CB -1.532 17.528 19.000 0.100 0.000 0.994 106 A HN -0.019 nan 8.150 nan 0.000 0.485 107 Y N -0.177 120.167 120.300 0.072 0.000 2.173 107 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 107 Y C 1.987 177.950 175.900 0.105 0.000 1.192 107 Y CA 2.307 60.449 58.100 0.070 0.000 1.176 107 Y CB -0.370 38.132 38.460 0.070 0.000 0.969 107 Y HN 0.423 nan 8.280 nan 0.000 0.519 108 F N 1.099 121.151 119.950 0.170 0.000 2.010 108 F HA -0.276 4.251 4.527 -0.000 0.000 0.296 108 F C 2.538 178.353 175.800 0.026 0.000 1.146 108 F CA 2.233 60.290 58.000 0.096 0.000 1.181 108 F CB -1.399 37.646 39.000 0.075 0.000 0.965 108 F HN 0.127 nan 8.300 nan 0.000 0.480 109 Q N 0.721 120.244 119.800 -0.462 0.000 2.217 109 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 109 Q C 2.189 177.994 176.000 -0.325 0.000 0.988 109 Q CA 2.149 57.625 55.803 -0.545 0.000 0.878 109 Q CB -0.248 28.326 28.738 -0.273 0.000 0.909 109 Q HN 0.523 nan 8.270 nan 0.000 0.424 110 R N -0.516 119.855 120.500 -0.216 0.000 2.048 110 R HA 0.027 4.367 4.340 -0.000 0.000 0.224 110 R C 2.445 178.613 176.300 -0.219 0.000 1.163 110 R CA 1.047 57.025 56.100 -0.204 0.000 0.956 110 R CB -0.949 29.223 30.300 -0.214 0.000 0.849 110 R HN 0.366 nan 8.270 nan 0.000 0.435 111 L N 2.225 123.290 121.223 -0.264 0.000 2.137 111 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 111 L C 2.653 179.472 176.870 -0.085 0.000 1.085 111 L CA 1.603 56.327 54.840 -0.193 0.000 0.760 111 L CB -0.261 41.742 42.059 -0.094 0.000 0.893 111 L HN 0.177 nan 8.230 nan 0.000 0.434 112 K N -0.231 120.106 120.400 -0.105 0.000 2.103 112 K HA -0.277 4.043 4.320 -0.000 0.000 0.207 112 K C 1.668 178.214 176.600 -0.090 0.000 1.048 112 K CA 1.992 58.220 56.287 -0.098 0.000 0.930 112 K CB -0.319 32.013 32.500 -0.281 0.000 0.716 112 K HN 0.490 nan 8.250 nan 0.000 0.444 113 D N 1.028 121.360 120.400 -0.114 0.000 2.123 113 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 113 D C 1.919 178.185 176.300 -0.056 0.000 0.992 113 D CA 0.998 54.946 54.000 -0.086 0.000 0.833 113 D CB -0.021 40.723 40.800 -0.092 0.000 0.954 113 D HN 0.291 nan 8.370 nan 0.000 0.455 114 L N 0.402 121.592 121.223 -0.054 0.000 2.551 114 L HA -0.118 4.222 4.340 -0.000 0.000 0.230 114 L C 0.776 177.635 176.870 -0.018 0.000 1.163 114 L CA -0.061 54.761 54.840 -0.031 0.000 0.826 114 L CB -0.253 41.789 42.059 -0.029 0.000 0.943 114 L HN 0.006 nan 8.230 nan 0.000 0.452 115 L N 0.636 121.847 121.223 -0.020 0.000 2.305 115 L HA 0.119 4.459 4.340 -0.000 0.000 0.281 115 L C 0.279 177.141 176.870 -0.014 0.000 1.085 115 L CA -0.050 54.784 54.840 -0.011 0.000 0.813 115 L CB 0.795 42.852 42.059 -0.003 0.000 1.157 115 L HN -0.067 nan 8.230 nan 0.000 0.436 116 D N 5.790 126.184 120.400 -0.009 0.000 2.472 116 D HA 0.011 4.651 4.640 -0.000 0.000 0.248 116 D C -1.718 174.575 176.300 -0.012 0.000 1.174 116 D CA -0.999 52.995 54.000 -0.010 0.000 0.883 116 D CB 1.127 41.922 40.800 -0.008 0.000 1.149 116 D HN 0.319 nan 8.370 nan 0.000 0.488 117 P HA -0.177 nan 4.420 nan 0.000 0.218 117 P C 0.833 178.126 177.300 -0.012 0.000 1.146 117 P CA 1.327 64.418 63.100 -0.014 0.000 0.820 117 P CB 0.137 31.829 31.700 -0.014 0.000 0.778 118 R N -1.739 118.754 120.500 -0.012 0.000 2.115 118 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 118 R C 2.023 178.314 176.300 -0.015 0.000 1.111 118 R CA 1.536 57.628 56.100 -0.013 0.000 0.976 118 R CB -1.111 29.181 30.300 -0.013 0.000 0.870 118 R HN 0.185 nan 8.270 nan 0.000 0.445 119 T N 0.141 114.687 114.554 -0.014 0.000 2.953 119 T HA 0.040 4.390 4.350 -0.000 0.000 0.247 119 T C 1.702 176.396 174.700 -0.010 0.000 1.029 119 T CA 0.164 62.255 62.100 -0.015 0.000 1.144 119 T CB 0.035 68.896 68.868 -0.012 0.000 0.870 119 T HN 0.139 nan 8.240 nan 0.000 0.446 120 R N 1.196 121.692 120.500 -0.006 0.000 2.113 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.244 120 R C 2.452 178.753 176.300 0.001 0.000 1.142 120 R CA 1.817 57.916 56.100 -0.001 0.000 0.953 120 R CB -0.566 29.728 30.300 -0.010 0.000 0.860 120 R HN 0.368 nan 8.270 nan 0.000 0.438 121 A N 0.136 122.952 122.820 -0.005 0.000 2.070 121 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 121 A C 1.889 179.469 177.584 -0.008 0.000 1.159 121 A CA 1.680 53.715 52.037 -0.003 0.000 0.656 121 A CB -0.301 18.697 19.000 -0.004 0.000 0.800 121 A HN 0.478 nan 8.150 nan 0.000 0.453 122 E N -0.622 119.568 120.200 -0.016 0.000 2.076 122 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 122 E C 1.665 178.241 176.600 -0.039 0.000 0.979 122 E CA 1.139 57.520 56.400 -0.032 0.000 0.807 122 E CB -0.007 29.671 29.700 -0.037 0.000 0.761 122 E HN 0.269 nan 8.360 nan 0.000 0.454 123 V N 1.520 121.424 119.914 -0.017 0.000 3.041 123 V HA -0.069 4.051 4.120 -0.000 0.000 0.260 123 V C 1.238 177.343 176.094 0.019 0.000 1.105 123 V CA 1.119 63.416 62.300 -0.006 0.000 1.125 123 V CB -0.310 31.528 31.823 0.025 0.000 0.730 123 V HN 0.221 nan 8.190 nan 0.000 0.479 124 E N 0.310 120.527 120.200 0.027 0.000 2.382 124 E HA 0.192 4.542 4.350 -0.000 0.000 0.190 124 E C 1.355 177.972 176.600 0.029 0.000 1.125 124 E CA 0.719 57.151 56.400 0.052 0.000 0.929 124 E CB 0.361 30.085 29.700 0.040 0.000 1.053 124 E HN 0.601 nan 8.360 nan 0.000 0.475 125 A N -0.242 122.566 122.820 -0.020 0.000 2.295 125 A HA 0.177 4.497 4.320 -0.000 0.000 0.193 125 A C 1.547 178.996 177.584 -0.225 0.000 1.512 125 A CA -0.284 51.712 52.037 -0.068 0.000 1.103 125 A CB 0.270 19.221 19.000 -0.081 0.000 1.331 125 A HN 0.149 nan 8.150 nan 0.000 0.501 126 L N -0.202 120.900 121.223 -0.201 0.000 2.591 126 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 126 L C 2.103 178.907 176.870 -0.109 0.000 1.133 126 L CA 0.845 55.526 54.840 -0.265 0.000 0.880 126 L CB -0.003 41.951 42.059 -0.174 0.000 1.033 126 L HN 0.444 nan 8.230 nan 0.000 0.450 127 A N 0.541 123.342 122.820 -0.032 0.000 2.197 127 A HA 0.026 4.346 4.320 -0.000 0.000 0.210 127 A C 2.153 179.778 177.584 0.069 0.000 1.180 127 A CA -0.181 51.860 52.037 0.007 0.000 0.846 127 A CB -0.016 18.991 19.000 0.011 0.000 0.884 127 A HN 0.390 nan 8.150 nan 0.000 0.487 128 R N -1.063 119.519 120.500 0.136 0.000 2.299 128 R HA 0.081 4.421 4.340 -0.000 0.000 0.197 128 R C -0.581 175.915 176.300 0.327 0.000 0.971 128 R CA 0.123 56.350 56.100 0.211 0.000 1.030 128 R CB -0.442 29.991 30.300 0.221 0.000 0.932 128 R HN 0.550 nan 8.270 nan 0.000 0.477 129 Y N 2.286 122.581 120.300 -0.007 0.000 2.330 129 Y HA 0.183 4.733 4.550 -0.000 0.000 0.336 129 Y C 0.618 176.505 175.900 -0.022 0.000 1.036 129 Y CA -1.441 56.651 58.100 -0.014 0.000 1.125 129 Y CB 1.135 39.588 38.460 -0.012 0.000 1.194 129 Y HN -0.097 nan 8.280 nan 0.000 0.469 130 E N 2.108 122.361 120.200 0.087 0.000 2.438 130 E HA -0.079 4.271 4.350 -0.000 0.000 0.261 130 E C 0.106 176.730 176.600 0.040 0.000 1.103 130 E CA 0.196 56.619 56.400 0.038 0.000 0.959 130 E CB 0.597 30.297 29.700 -0.000 0.000 0.958 130 E HN 0.756 nan 8.360 nan 0.000 0.447 131 E N 0.419 120.626 120.200 0.012 0.000 2.502 131 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 131 E C 0.368 176.964 176.600 -0.007 0.000 1.062 131 E CA 0.270 56.671 56.400 0.001 0.000 0.867 131 E CB 0.263 29.955 29.700 -0.014 0.000 0.888 131 E HN 0.316 nan 8.360 nan 0.000 0.510 132 D N 0.567 120.961 120.400 -0.009 0.000 2.259 132 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 132 D C 0.614 176.901 176.300 -0.021 0.000 0.961 132 D CA 0.613 54.600 54.000 -0.021 0.000 0.878 132 D CB 0.109 40.894 40.800 -0.026 0.000 1.009 132 D HN 0.101 nan 8.370 nan 0.000 0.490 133 E N 0.812 121.005 120.200 -0.012 0.000 2.391 133 E HA 0.298 4.648 4.350 -0.000 0.000 0.255 133 E C 1.253 177.861 176.600 0.014 0.000 1.187 133 E CA -0.156 56.235 56.400 -0.015 0.000 0.941 133 E CB 0.458 30.139 29.700 -0.031 0.000 1.010 133 E HN -0.021 nan 8.360 nan 0.000 0.458 134 A N 1.818 124.644 122.820 0.009 0.000 1.884 134 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 134 A C 2.124 179.761 177.584 0.088 0.000 1.197 134 A CA 2.874 54.929 52.037 0.029 0.000 0.637 134 A CB -1.648 17.363 19.000 0.017 0.000 0.827 134 A HN 0.746 nan 8.150 nan 0.000 0.450 135 G N -0.543 108.388 108.800 0.219 0.000 2.808 135 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.225 135 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.225 135 G C 1.561 176.514 174.900 0.088 0.000 1.210 135 G CA 1.623 46.917 45.100 0.323 0.000 0.777 135 G HN 1.269 nan 8.290 nan 0.000 0.640 136 G N -0.366 108.484 108.800 0.083 0.000 2.780 136 G HA2 0.163 4.123 3.960 -0.000 0.000 0.205 136 G HA3 0.163 4.123 3.960 -0.000 0.000 0.205 136 G C 1.249 176.149 174.900 0.001 0.000 1.158 136 G CA 0.801 45.914 45.100 0.021 0.000 0.812 136 G HN 0.478 nan 8.290 nan 0.000 0.521 137 L N -1.246 119.981 121.223 0.007 0.000 2.953 137 L HA 0.294 4.634 4.340 -0.000 0.000 0.258 137 L C 1.141 178.012 176.870 0.002 0.000 1.100 137 L CA -0.143 54.696 54.840 -0.002 0.000 0.971 137 L CB -0.067 41.989 42.059 -0.005 0.000 1.474 137 L HN 0.266 nan 8.230 nan 0.000 0.540 138 M N 0.306 119.911 119.600 0.008 0.000 2.219 138 M HA 0.318 4.798 4.480 -0.000 0.000 0.353 138 M C 0.140 176.443 176.300 0.006 0.000 1.304 138 M CA 0.550 55.858 55.300 0.013 0.000 1.115 138 M CB 0.713 33.330 32.600 0.028 0.000 1.664 138 M HN -0.131 nan 8.290 nan 0.000 0.459 139 T N 2.817 117.388 114.554 0.028 0.000 2.794 139 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 139 T C -1.795 172.937 174.700 0.053 0.000 0.987 139 T CA -1.994 60.119 62.100 0.022 0.000 0.993 139 T CB 1.285 70.169 68.868 0.027 0.000 0.939 139 T HN 0.657 nan 8.240 nan 0.000 0.449 140 P HA 0.055 nan 4.420 nan 0.000 0.229 140 P C 0.128 177.274 177.300 -0.257 0.000 1.160 140 P CA 0.435 63.502 63.100 -0.055 0.000 0.777 140 P CB 0.210 31.857 31.700 -0.088 0.000 0.814 141 E N 0.673 120.793 120.200 -0.133 0.000 1.999 141 E HA 0.062 4.412 4.350 -0.000 0.000 0.296 141 E C -0.167 176.403 176.600 -0.051 0.000 1.187 141 E CA -0.356 55.956 56.400 -0.147 0.000 1.229 141 E CB -0.501 29.161 29.700 -0.063 0.000 1.131 141 E HN 0.362 nan 8.360 nan 0.000 0.478 142 Y N -1.876 118.454 120.300 0.050 0.000 2.699 142 Y HA 0.640 5.190 4.550 -0.000 0.000 0.326 142 Y C -0.242 175.736 175.900 0.131 0.000 1.141 142 Y CA -1.815 56.333 58.100 0.080 0.000 1.246 142 Y CB 0.354 38.829 38.460 0.025 0.000 1.426 142 Y HN -0.206 nan 8.280 nan 0.000 0.559 143 V N 1.288 121.555 119.914 0.589 0.000 2.326 143 V HA 0.808 4.928 4.120 -0.000 0.000 0.281 143 V C -0.353 176.022 176.094 0.468 0.000 1.015 143 V CA -0.677 61.911 62.300 0.480 0.000 0.823 143 V CB 0.005 32.041 31.823 0.355 0.000 1.009 143 V HN 1.036 nan 8.190 nan 0.000 0.436 144 A N 5.053 128.123 122.820 0.417 0.000 2.343 144 A HA 0.931 5.251 4.320 -0.000 0.000 0.308 144 A C -0.334 177.269 177.584 0.031 0.000 1.092 144 A CA -0.507 51.666 52.037 0.226 0.000 0.751 144 A CB 1.774 20.925 19.000 0.252 0.000 1.203 144 A HN 1.209 nan 8.150 nan 0.000 0.452 145 V N 0.093 119.989 119.914 -0.029 0.000 3.240 145 V HA 0.913 5.033 4.120 -0.000 0.000 0.306 145 V C -0.110 175.937 176.094 -0.078 0.000 1.227 145 V CA -1.114 61.102 62.300 -0.141 0.000 1.047 145 V CB 1.291 33.021 31.823 -0.156 0.000 1.203 145 V HN 0.925 nan 8.190 nan 0.000 0.471 146 R N 0.183 120.629 120.500 -0.090 0.000 2.732 146 R HA 0.450 4.790 4.340 -0.000 0.000 0.278 146 R C 1.352 177.627 176.300 -0.042 0.000 0.976 146 R CA -0.039 56.029 56.100 -0.053 0.000 0.963 146 R CB 1.468 31.737 30.300 -0.052 0.000 1.150 146 R HN 0.910 nan 8.270 nan 0.000 0.478 147 E N 1.686 121.869 120.200 -0.028 0.000 2.153 147 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 147 E C 0.339 176.925 176.600 -0.023 0.000 0.988 147 E CA 1.476 57.863 56.400 -0.023 0.000 0.811 147 E CB -0.125 29.565 29.700 -0.017 0.000 0.746 147 E HN 0.679 nan 8.360 nan 0.000 0.466 148 G N 1.533 110.319 108.800 -0.023 0.000 3.717 148 G HA2 0.428 4.388 3.960 -0.000 0.000 0.258 148 G HA3 0.428 4.388 3.960 -0.000 0.000 0.258 148 G C 0.077 174.963 174.900 -0.023 0.000 1.088 148 G CA -0.404 44.684 45.100 -0.020 0.000 1.737 148 G HN 0.022 nan 8.290 nan 0.000 0.648 149 M N -0.076 119.508 119.600 -0.027 0.000 2.846 149 M HA 0.491 4.971 4.480 -0.000 0.000 0.282 149 M C 0.214 176.503 176.300 -0.019 0.000 1.266 149 M CA -0.802 54.482 55.300 -0.027 0.000 0.766 149 M CB 2.116 34.688 32.600 -0.046 0.000 1.739 149 M HN 0.185 nan 8.290 nan 0.000 0.442 150 T N -2.089 112.457 114.554 -0.012 0.000 2.919 150 T HA 0.556 4.906 4.350 -0.000 0.000 0.282 150 T C 0.642 175.340 174.700 -0.003 0.000 1.020 150 T CA -0.824 61.272 62.100 -0.007 0.000 0.994 150 T CB 1.207 70.074 68.868 -0.001 0.000 1.180 150 T HN 0.331 nan 8.240 nan 0.000 0.566 151 V N 0.401 120.314 119.914 -0.002 0.000 2.346 151 V HA 0.018 4.138 4.120 -0.000 0.000 0.244 151 V C 2.721 178.822 176.094 0.011 0.000 1.037 151 V CA 1.767 64.068 62.300 0.001 0.000 1.029 151 V CB -0.936 30.885 31.823 -0.004 0.000 0.663 151 V HN 1.049 nan 8.190 nan 0.000 0.454 152 E N -0.164 120.042 120.200 0.010 0.000 2.401 152 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 152 E C 2.084 178.700 176.600 0.027 0.000 1.023 152 E CA 0.979 57.387 56.400 0.015 0.000 0.859 152 E CB 0.137 29.843 29.700 0.010 0.000 0.780 152 E HN 0.704 nan 8.360 nan 0.000 0.523 153 E N -0.946 119.272 120.200 0.030 0.000 2.127 153 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 153 E C 1.864 178.515 176.600 0.085 0.000 0.964 153 E CA 0.422 56.850 56.400 0.047 0.000 0.832 153 E CB 0.466 30.181 29.700 0.025 0.000 0.790 153 E HN 0.103 nan 8.360 nan 0.000 0.465 154 V N 1.460 121.413 119.914 0.064 0.000 2.453 154 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 154 V C 2.277 178.453 176.094 0.137 0.000 1.048 154 V CA 1.089 63.451 62.300 0.103 0.000 1.049 154 V CB -0.296 31.552 31.823 0.042 0.000 0.672 154 V HN 0.325 nan 8.190 nan 0.000 0.457 155 L N -0.161 121.104 121.223 0.071 0.000 2.275 155 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 155 L C 2.588 179.486 176.870 0.046 0.000 1.119 155 L CA 1.470 56.337 54.840 0.045 0.000 0.790 155 L CB -0.465 41.606 42.059 0.019 0.000 0.919 155 L HN 0.279 nan 8.230 nan 0.000 0.443 156 R N -0.434 120.107 120.500 0.069 0.000 2.210 156 R HA -0.094 4.246 4.340 -0.000 0.000 0.203 156 R C 2.161 178.507 176.300 0.077 0.000 1.010 156 R CA 0.443 56.575 56.100 0.054 0.000 1.008 156 R CB 0.019 30.351 30.300 0.053 0.000 0.923 156 R HN 0.248 nan 8.270 nan 0.000 0.469 157 F N 0.382 120.328 119.950 -0.007 0.000 2.416 157 F HA 0.096 4.623 4.527 -0.000 0.000 0.296 157 F C 1.132 176.928 175.800 -0.007 0.000 1.099 157 F CA 0.853 58.852 58.000 -0.002 0.000 1.427 157 F CB 0.308 39.312 39.000 0.006 0.000 1.079 157 F HN -0.054 nan 8.300 nan 0.000 0.536 158 L N -0.201 121.002 121.223 -0.034 0.000 2.446 158 L HA 0.060 4.400 4.340 -0.000 0.000 0.219 158 L C 2.159 178.945 176.870 -0.139 0.000 1.116 158 L CA 0.030 54.798 54.840 -0.120 0.000 0.844 158 L CB -0.568 41.491 42.059 -0.000 0.000 0.970 158 L HN -0.059 nan 8.230 nan 0.000 0.457 159 R N 1.066 121.506 120.500 -0.100 0.000 2.200 159 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 159 R C 0.495 176.726 176.300 -0.114 0.000 1.127 159 R CA 0.839 56.889 56.100 -0.083 0.000 0.989 159 R CB -0.306 29.963 30.300 -0.051 0.000 0.869 159 R HN 0.413 nan 8.270 nan 0.000 0.459 160 R N -1.977 118.414 120.500 -0.183 0.000 2.888 160 R HA 0.488 4.828 4.340 -0.000 0.000 0.266 160 R C 0.182 176.308 176.300 -0.291 0.000 1.020 160 R CA -0.072 55.909 56.100 -0.198 0.000 0.963 160 R CB 1.457 31.644 30.300 -0.189 0.000 1.197 160 R HN -0.021 nan 8.270 nan 0.000 0.481 161 A N 0.071 122.756 122.820 -0.224 0.000 2.861 161 A HA -0.275 4.045 4.320 -0.000 0.000 0.261 161 A C 1.225 178.704 177.584 -0.175 0.000 1.351 161 A CA 1.379 53.285 52.037 -0.220 0.000 0.904 161 A CB -2.086 16.709 19.000 -0.341 0.000 1.076 161 A HN 0.860 nan 8.150 nan 0.000 0.729 162 A N -0.046 122.685 122.820 -0.147 0.000 1.930 162 A HA 0.261 4.581 4.320 -0.000 0.000 0.215 162 A C 0.392 177.931 177.584 -0.075 0.000 1.176 162 A CA 1.383 53.354 52.037 -0.110 0.000 0.632 162 A CB -0.703 18.231 19.000 -0.110 0.000 0.819 162 A HN 0.679 nan 8.150 nan 0.000 0.445 163 P HA 0.092 nan 4.420 nan 0.000 0.253 163 P C -0.877 176.400 177.300 -0.039 0.000 1.260 163 P CA 0.874 63.947 63.100 -0.045 0.000 0.800 163 P CB 0.030 31.704 31.700 -0.043 0.000 1.162 164 D N -0.496 119.875 120.400 -0.047 0.000 2.503 164 D HA 0.272 4.912 4.640 -0.000 0.000 0.218 164 D C 0.214 176.493 176.300 -0.034 0.000 1.183 164 D CA -0.109 53.866 54.000 -0.042 0.000 0.827 164 D CB 0.553 41.320 40.800 -0.054 0.000 1.034 164 D HN 0.067 nan 8.370 nan 0.000 0.510 165 A N 0.592 123.401 122.820 -0.019 0.000 2.330 165 A HA 0.424 4.744 4.320 -0.000 0.000 0.313 165 A C 0.928 178.536 177.584 0.041 0.000 1.124 165 A CA -0.521 51.523 52.037 0.012 0.000 0.774 165 A CB 1.511 20.532 19.000 0.035 0.000 1.198 165 A HN -0.057 nan 8.150 nan 0.000 0.465 166 E N 1.348 121.584 120.200 0.059 0.000 2.169 166 E HA -0.147 4.203 4.350 -0.000 0.000 0.202 166 E C 0.623 177.297 176.600 0.124 0.000 1.016 166 E CA 2.392 58.843 56.400 0.084 0.000 0.817 166 E CB 0.100 29.855 29.700 0.093 0.000 0.736 166 E HN 0.801 nan 8.360 nan 0.000 0.462 167 T N -1.846 112.799 114.554 0.152 0.000 3.486 167 T HA 0.295 4.645 4.350 -0.000 0.000 0.375 167 T C -0.270 174.535 174.700 0.174 0.000 1.459 167 T CA -0.332 61.885 62.100 0.196 0.000 1.151 167 T CB 0.284 69.343 68.868 0.318 0.000 1.336 167 T HN 0.243 nan 8.240 nan 0.000 0.477 168 I N 1.644 122.221 120.570 0.012 0.000 3.877 168 I HA 0.399 4.569 4.170 -0.000 0.000 0.332 168 I C 0.384 176.443 176.117 -0.097 0.000 1.525 168 I CA -0.517 60.770 61.300 -0.022 0.000 1.146 168 I CB -0.186 37.750 38.000 -0.107 0.000 1.137 168 I HN 0.551 nan 8.210 nan 0.000 0.424 169 Y N 0.409 120.767 120.300 0.097 0.000 2.490 169 Y HA 0.160 4.710 4.550 -0.000 0.000 0.285 169 Y C 0.111 175.828 175.900 -0.305 0.000 1.117 169 Y CA 0.578 58.638 58.100 -0.066 0.000 1.262 169 Y CB 0.276 38.736 38.460 0.001 0.000 1.043 169 Y HN 0.184 nan 8.280 nan 0.000 0.553 170 Y N 0.435 120.831 120.300 0.161 0.000 2.526 170 Y HA 0.368 4.918 4.550 0.000 0.000 0.328 170 Y C -0.539 175.347 175.900 -0.024 0.000 0.995 170 Y CA -1.393 56.710 58.100 0.005 0.000 1.304 170 Y CB 0.433 38.893 38.460 0.001 0.000 1.096 170 Y HN -0.187 nan 8.280 nan 0.000 0.499 171 I N 4.349 124.904 120.570 -0.025 0.000 2.371 171 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 171 I C -0.636 175.407 176.117 -0.123 0.000 1.028 171 I CA -0.499 60.822 61.300 0.036 0.000 1.345 171 I CB 0.425 38.440 38.000 0.026 0.000 1.407 171 I HN 0.431 nan 8.210 nan 0.000 0.501 172 Y N 5.091 125.422 120.300 0.052 0.000 2.352 172 Y HA 0.470 5.020 4.550 0.000 0.000 0.326 172 Y C 0.260 176.148 175.900 -0.021 0.000 1.166 172 Y CA -0.724 57.379 58.100 0.005 0.000 1.182 172 Y CB 1.313 39.737 38.460 -0.059 0.000 1.216 172 Y HN 0.169 nan 8.280 nan 0.000 0.474 173 V N 3.584 123.554 119.914 0.093 0.000 2.513 173 V HA 0.732 4.852 4.120 -0.000 0.000 0.299 173 V C -0.545 175.567 176.094 0.031 0.000 1.035 173 V CA -0.861 61.461 62.300 0.035 0.000 0.889 173 V CB 1.502 33.326 31.823 0.002 0.000 0.988 173 V HN 0.611 nan 8.190 nan 0.000 0.440 174 V N 0.632 120.553 119.914 0.011 0.000 3.012 174 V HA 0.698 4.818 4.120 -0.000 0.000 0.307 174 V C -0.628 175.465 176.094 -0.002 0.000 1.166 174 V CA -0.862 61.440 62.300 0.004 0.000 0.974 174 V CB 2.043 33.869 31.823 0.005 0.000 1.040 174 V HN 0.859 nan 8.190 nan 0.000 0.428 175 D N 2.221 122.620 120.400 -0.003 0.000 2.414 175 D HA 0.086 4.726 4.640 -0.000 0.000 0.259 175 D C 1.075 177.375 176.300 0.001 0.000 1.269 175 D CA 0.402 54.400 54.000 -0.004 0.000 1.028 175 D CB 0.841 41.639 40.800 -0.005 0.000 1.093 175 D HN 0.897 nan 8.370 nan 0.000 0.545 176 E N -0.224 119.977 120.200 0.001 0.000 2.110 176 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 176 E C 1.350 177.957 176.600 0.010 0.000 0.988 176 E CA 0.909 57.312 56.400 0.005 0.000 0.804 176 E CB -0.159 29.543 29.700 0.003 0.000 0.745 176 E HN 0.122 nan 8.360 nan 0.000 0.458 177 K N -0.133 120.273 120.400 0.009 0.000 2.525 177 K HA 0.106 4.426 4.320 -0.000 0.000 0.192 177 K C 0.959 177.570 176.600 0.019 0.000 1.029 177 K CA 0.798 57.093 56.287 0.013 0.000 1.029 177 K CB 0.098 32.604 32.500 0.011 0.000 0.814 177 K HN 0.438 nan 8.250 nan 0.000 0.503 178 G N 0.685 109.496 108.800 0.019 0.000 2.176 178 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.253 178 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.253 178 G C -0.225 174.684 174.900 0.015 0.000 0.979 178 G CA 0.186 45.301 45.100 0.025 0.000 0.641 178 G HN 0.344 nan 8.290 nan 0.000 0.530 179 R N -0.168 120.336 120.500 0.007 0.000 2.539 179 R HA 0.603 4.943 4.340 -0.000 0.000 0.275 179 R C 0.828 177.121 176.300 -0.012 0.000 1.077 179 R CA -0.543 55.555 56.100 -0.002 0.000 1.097 179 R CB 1.057 31.353 30.300 -0.006 0.000 1.018 179 R HN 0.316 nan 8.270 nan 0.000 0.483 180 L N 2.023 123.233 121.223 -0.022 0.000 2.452 180 L HA 0.130 4.470 4.340 -0.000 0.000 0.267 180 L C 0.344 177.194 176.870 -0.033 0.000 1.188 180 L CA 0.381 55.211 54.840 -0.018 0.000 0.821 180 L CB 0.403 42.452 42.059 -0.017 0.000 1.102 180 L HN 0.705 nan 8.230 nan 0.000 0.470 181 K N 3.011 123.403 120.400 -0.012 0.000 3.506 181 K HA 0.349 4.669 4.320 -0.000 0.000 0.166 181 K C -0.807 175.787 176.600 -0.009 0.000 1.003 181 K CA 0.319 56.591 56.287 -0.024 0.000 0.832 181 K CB 0.188 32.675 32.500 -0.022 0.000 0.733 181 K HN 0.916 nan 8.250 nan 0.000 0.471 182 G N 0.490 109.294 108.800 0.007 0.000 2.375 182 G HA2 0.036 3.996 3.960 -0.000 0.000 0.663 182 G HA3 0.036 3.996 3.960 -0.000 0.000 0.663 182 G C -1.725 173.170 174.900 -0.008 0.000 1.391 182 G CA -0.304 44.799 45.100 0.005 0.000 0.949 182 G HN 0.128 nan 8.290 nan 0.000 0.646 183 V N 0.842 120.729 119.914 -0.045 0.000 3.547 183 V HA 0.959 5.079 4.120 -0.000 0.000 0.289 183 V C -0.551 175.460 176.094 -0.138 0.000 1.226 183 V CA -0.721 61.477 62.300 -0.170 0.000 0.966 183 V CB 1.680 33.423 31.823 -0.134 0.000 1.255 183 V HN 1.615 nan 8.190 nan 0.000 0.466 184 L N 2.385 123.506 121.223 -0.170 0.000 3.390 184 L HA 0.226 4.566 4.340 -0.000 0.000 0.223 184 L C -0.298 176.474 176.870 -0.163 0.000 0.985 184 L CA -0.003 54.762 54.840 -0.125 0.000 1.289 184 L CB 0.699 42.702 42.059 -0.093 0.000 1.682 184 L HN 0.887 nan 8.230 nan 0.000 0.675 185 S N 1.441 117.032 115.700 -0.182 0.000 2.549 185 S HA 0.180 4.650 4.470 -0.000 0.000 0.286 185 S C 1.260 175.736 174.600 -0.207 0.000 1.314 185 S CA -0.341 57.684 58.200 -0.291 0.000 1.062 185 S CB 1.499 64.539 63.200 -0.266 0.000 0.865 185 S HN 0.574 nan 8.310 nan 0.000 0.498 186 L N 3.233 124.322 121.223 -0.224 0.000 2.131 186 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 186 L C 2.712 179.531 176.870 -0.084 0.000 1.092 186 L CA 1.955 56.727 54.840 -0.114 0.000 0.759 186 L CB -0.671 41.346 42.059 -0.070 0.000 0.903 186 L HN 0.930 nan 8.230 nan 0.000 0.435 187 R N -1.208 119.225 120.500 -0.111 0.000 2.211 187 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 187 R C 1.491 177.755 176.300 -0.060 0.000 1.144 187 R CA 1.909 57.964 56.100 -0.075 0.000 0.992 187 R CB -0.829 29.415 30.300 -0.094 0.000 0.869 187 R HN 0.459 nan 8.270 nan 0.000 0.462 188 D N 0.772 121.128 120.400 -0.072 0.000 2.259 188 D HA 0.041 4.681 4.640 -0.000 0.000 0.216 188 D C 1.974 178.250 176.300 -0.040 0.000 0.961 188 D CA 0.696 54.664 54.000 -0.053 0.000 0.878 188 D CB 0.125 40.890 40.800 -0.058 0.000 1.009 188 D HN 0.230 nan 8.370 nan 0.000 0.490 189 L N 1.130 122.327 121.223 -0.044 0.000 2.450 189 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 189 L C 2.172 179.029 176.870 -0.022 0.000 1.149 189 L CA 0.421 55.243 54.840 -0.030 0.000 0.816 189 L CB -0.178 41.864 42.059 -0.028 0.000 0.932 189 L HN 0.050 nan 8.230 nan 0.000 0.449 190 I N -1.246 119.310 120.570 -0.023 0.000 2.703 190 I HA -0.122 4.048 4.170 -0.000 0.000 0.259 190 I C 2.211 178.321 176.117 -0.013 0.000 1.151 190 I CA 0.668 61.959 61.300 -0.016 0.000 1.470 190 I CB -0.065 37.926 38.000 -0.014 0.000 1.112 190 I HN 0.117 nan 8.210 nan 0.000 0.437 191 V N -1.035 118.870 119.914 -0.016 0.000 2.949 191 V HA 0.369 4.489 4.120 -0.000 0.000 0.245 191 V C 1.427 177.514 176.094 -0.012 0.000 1.086 191 V CA -0.022 62.270 62.300 -0.013 0.000 1.097 191 V CB -1.081 30.734 31.823 -0.014 0.000 0.762 191 V HN 0.154 nan 8.190 nan 0.000 0.470 192 A N 1.787 124.599 122.820 -0.014 0.000 2.492 192 A HA 0.176 4.496 4.320 -0.000 0.000 0.236 192 A C 0.337 177.916 177.584 -0.009 0.000 1.078 192 A CA 0.529 52.559 52.037 -0.013 0.000 0.773 192 A CB -0.191 18.799 19.000 -0.015 0.000 1.023 192 A HN 0.584 nan 8.150 nan 0.000 0.504 193 D N 1.677 122.073 120.400 -0.008 0.000 2.348 193 D HA 0.131 4.771 4.640 -0.000 0.000 0.253 193 D C -1.416 174.882 176.300 -0.005 0.000 1.161 193 D CA -1.604 52.392 54.000 -0.005 0.000 0.876 193 D CB 1.013 41.810 40.800 -0.005 0.000 1.160 193 D HN 0.217 nan 8.370 nan 0.000 0.459 194 P HA -0.176 nan 4.420 nan 0.000 0.225 194 P C 0.742 178.042 177.300 -0.000 0.000 1.141 194 P CA 1.002 64.102 63.100 -0.001 0.000 0.774 194 P CB 0.043 31.743 31.700 0.001 0.000 0.760 195 R N -0.939 119.560 120.500 -0.002 0.000 2.335 195 R HA 0.111 4.451 4.340 -0.000 0.000 0.210 195 R C 0.875 177.173 176.300 -0.004 0.000 0.892 195 R CA 0.032 56.131 56.100 -0.002 0.000 1.048 195 R CB -1.137 29.162 30.300 -0.002 0.000 1.067 195 R HN 0.021 nan 8.270 nan 0.000 0.524 196 T N 0.032 114.583 114.554 -0.005 0.000 2.940 196 T HA 0.195 4.545 4.350 -0.000 0.000 0.309 196 T C 0.217 174.912 174.700 -0.008 0.000 1.056 196 T CA -0.796 61.300 62.100 -0.007 0.000 1.137 196 T CB 0.883 69.746 68.868 -0.008 0.000 0.976 196 T HN 0.058 nan 8.240 nan 0.000 0.547 197 R N 2.271 122.766 120.500 -0.009 0.000 2.738 197 R HA 0.265 4.605 4.340 -0.000 0.000 0.275 197 R C 1.653 177.945 176.300 -0.014 0.000 1.121 197 R CA -0.740 55.353 56.100 -0.011 0.000 1.207 197 R CB -0.182 30.112 30.300 -0.011 0.000 1.141 197 R HN 0.605 nan 8.270 nan 0.000 0.571 198 V N 0.586 120.490 119.914 -0.018 0.000 2.500 198 V HA -0.061 4.059 4.120 -0.000 0.000 0.243 198 V C 1.768 177.850 176.094 -0.020 0.000 1.039 198 V CA 1.835 64.122 62.300 -0.022 0.000 1.053 198 V CB -0.567 31.240 31.823 -0.028 0.000 0.695 198 V HN 0.822 nan 8.190 nan 0.000 0.463 199 A N 0.834 123.643 122.820 -0.017 0.000 2.236 199 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 199 A C 1.576 179.152 177.584 -0.013 0.000 1.287 199 A CA 1.080 53.108 52.037 -0.015 0.000 0.909 199 A CB -0.626 18.366 19.000 -0.013 0.000 0.839 199 A HN 0.823 nan 8.150 nan 0.000 0.486 200 E N -0.923 119.269 120.200 -0.013 0.000 2.606 200 E HA 0.188 4.538 4.350 -0.000 0.000 0.224 200 E C 0.965 177.558 176.600 -0.012 0.000 0.930 200 E CA 0.344 56.738 56.400 -0.011 0.000 1.125 200 E CB -0.186 29.508 29.700 -0.010 0.000 1.123 200 E HN 0.627 nan 8.360 nan 0.000 0.522 201 I N -1.296 119.264 120.570 -0.016 0.000 4.327 201 I HA 0.322 4.492 4.170 -0.000 0.000 0.331 201 I C 1.115 177.219 176.117 -0.022 0.000 1.348 201 I CA -0.755 60.534 61.300 -0.018 0.000 1.152 201 I CB 0.107 38.094 38.000 -0.021 0.000 1.151 201 I HN 0.023 nan 8.210 nan 0.000 0.410 202 M N 1.161 120.748 119.600 -0.021 0.000 2.036 202 M HA 0.335 4.815 4.480 -0.000 0.000 0.276 202 M C -0.277 176.016 176.300 -0.013 0.000 1.262 202 M CA 0.363 55.649 55.300 -0.024 0.000 1.097 202 M CB 0.375 32.961 32.600 -0.024 0.000 1.386 202 M HN 0.052 nan 8.290 nan 0.000 0.482 203 N N 0.793 119.489 118.700 -0.007 0.000 2.491 203 N HA 0.361 5.101 4.740 -0.000 0.000 0.274 203 N C -2.368 173.150 175.510 0.013 0.000 1.023 203 N CA -1.756 51.300 53.050 0.011 0.000 0.902 203 N CB 1.978 40.484 38.487 0.031 0.000 1.267 203 N HN 0.499 nan 8.380 nan 0.000 0.503 204 P HA -0.043 nan 4.420 nan 0.000 0.221 204 P C -0.292 177.008 177.300 0.001 0.000 1.150 204 P CA 0.817 63.916 63.100 -0.001 0.000 0.800 204 P CB 0.480 32.177 31.700 -0.005 0.000 0.787 205 K N 0.857 121.270 120.400 0.022 0.000 2.142 205 K HA 0.315 4.635 4.320 -0.000 0.000 0.250 205 K C -0.373 176.266 176.600 0.066 0.000 1.148 205 K CA -0.339 55.968 56.287 0.034 0.000 1.040 205 K CB 0.543 33.071 32.500 0.047 0.000 1.569 205 K HN -0.053 nan 8.250 nan 0.000 0.361 206 V N 3.002 122.938 119.914 0.035 0.000 2.532 206 V HA 0.295 4.415 4.120 -0.000 0.000 0.295 206 V C -0.218 175.917 176.094 0.068 0.000 1.041 206 V CA -0.821 61.525 62.300 0.077 0.000 0.926 206 V CB 1.755 33.613 31.823 0.058 0.000 0.992 206 V HN 0.385 nan 8.190 nan 0.000 0.457 207 V N 6.040 126.028 119.914 0.122 0.000 2.567 207 V HA 0.756 4.876 4.120 -0.000 0.000 0.289 207 V C -0.656 175.562 176.094 0.207 0.000 1.049 207 V CA -0.284 62.070 62.300 0.089 0.000 0.969 207 V CB 1.066 32.756 31.823 -0.221 0.000 0.995 207 V HN 1.012 nan 8.190 nan 0.000 0.471 208 Y N 2.658 122.897 120.300 -0.102 0.000 2.728 208 Y HA 0.882 5.432 4.550 -0.000 0.000 0.330 208 Y C -0.843 174.995 175.900 -0.105 0.000 1.234 208 Y CA -1.906 56.151 58.100 -0.072 0.000 1.070 208 Y CB 1.261 39.703 38.460 -0.030 0.000 1.300 208 Y HN 0.979 nan 8.280 nan 0.000 0.467 209 V N 1.144 120.941 119.914 -0.194 0.000 2.808 209 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 209 V C -0.716 175.229 176.094 -0.248 0.000 1.099 209 V CA -0.963 61.155 62.300 -0.302 0.000 0.920 209 V CB 1.887 33.605 31.823 -0.176 0.000 1.014 209 V HN 1.139 nan 8.190 nan 0.000 0.425 210 R N 2.832 123.161 120.500 -0.285 0.000 2.679 210 R HA 0.268 4.608 4.340 -0.000 0.000 0.269 210 R C 1.500 177.736 176.300 -0.106 0.000 1.076 210 R CA 0.727 56.719 56.100 -0.179 0.000 1.160 210 R CB 1.259 31.446 30.300 -0.188 0.000 1.054 210 R HN 1.032 nan 8.270 nan 0.000 0.507 211 T N 0.369 114.877 114.554 -0.077 0.000 2.822 211 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 211 T C -0.074 174.555 174.700 -0.118 0.000 1.064 211 T CA 1.824 63.885 62.100 -0.065 0.000 1.131 211 T CB -0.367 68.396 68.868 -0.175 0.000 0.858 211 T HN 0.781 nan 8.240 nan 0.000 0.483 212 D N 0.583 120.900 120.400 -0.139 0.000 2.458 212 D HA 0.412 5.052 4.640 -0.000 0.000 0.258 212 D C -0.993 175.245 176.300 -0.104 0.000 1.134 212 D CA -0.551 53.374 54.000 -0.124 0.000 0.915 212 D CB 1.078 41.792 40.800 -0.142 0.000 1.028 212 D HN -0.017 nan 8.370 nan 0.000 0.508 213 T N 1.418 115.920 114.554 -0.088 0.000 3.066 213 T HA 0.111 4.461 4.350 -0.000 0.000 0.318 213 T C -0.835 173.821 174.700 -0.074 0.000 0.979 213 T CA -0.807 61.237 62.100 -0.093 0.000 1.025 213 T CB 1.135 69.933 68.868 -0.118 0.000 1.002 213 T HN 0.416 nan 8.240 nan 0.000 0.453 214 D N 2.678 123.038 120.400 -0.068 0.000 2.836 214 D HA -0.104 4.536 4.640 -0.000 0.000 0.220 214 D C 1.311 177.576 176.300 -0.058 0.000 1.094 214 D CA 0.904 54.869 54.000 -0.058 0.000 0.820 214 D CB 0.943 41.709 40.800 -0.057 0.000 1.171 214 D HN 0.573 nan 8.370 nan 0.000 0.507 215 Q N 2.918 122.688 119.800 -0.049 0.000 2.012 215 Q HA -0.276 4.064 4.340 -0.000 0.000 0.211 215 Q C 1.917 177.883 176.000 -0.055 0.000 1.009 215 Q CA 2.141 57.915 55.803 -0.049 0.000 0.866 215 Q CB -0.086 28.625 28.738 -0.044 0.000 0.945 215 Q HN 0.641 nan 8.270 nan 0.000 0.414 216 E N 0.084 120.251 120.200 -0.055 0.000 2.086 216 E HA -0.280 4.070 4.350 -0.000 0.000 0.205 216 E C 2.022 178.585 176.600 -0.062 0.000 1.027 216 E CA 1.517 57.883 56.400 -0.056 0.000 0.830 216 E CB 0.008 29.675 29.700 -0.056 0.000 0.751 216 E HN 0.213 nan 8.360 nan 0.000 0.456 217 E N -0.227 119.931 120.200 -0.069 0.000 2.038 217 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 217 E C 2.109 178.651 176.600 -0.097 0.000 1.000 217 E CA 1.184 57.535 56.400 -0.082 0.000 0.803 217 E CB -0.353 29.294 29.700 -0.088 0.000 0.750 217 E HN 0.127 nan 8.360 nan 0.000 0.448 218 V N 1.086 120.942 119.914 -0.096 0.000 2.332 218 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 218 V C 2.276 178.314 176.094 -0.095 0.000 1.055 218 V CA 1.887 64.124 62.300 -0.105 0.000 1.038 218 V CB -1.243 30.530 31.823 -0.083 0.000 0.651 218 V HN 0.329 nan 8.190 nan 0.000 0.450 219 A N 0.394 123.171 122.820 -0.072 0.000 1.849 219 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 219 A C 2.363 179.912 177.584 -0.059 0.000 1.202 219 A CA 2.415 54.418 52.037 -0.057 0.000 0.629 219 A CB -0.718 18.252 19.000 -0.049 0.000 0.834 219 A HN 0.491 nan 8.150 nan 0.000 0.447 220 R N -0.838 119.627 120.500 -0.059 0.000 2.159 220 R HA -0.241 4.098 4.340 -0.000 0.000 0.249 220 R C 2.162 178.428 176.300 -0.057 0.000 1.136 220 R CA 1.951 58.023 56.100 -0.047 0.000 0.951 220 R CB -0.892 29.379 30.300 -0.048 0.000 0.876 220 R HN 0.569 nan 8.270 nan 0.000 0.440 221 L N 0.026 121.174 121.223 -0.126 0.000 1.991 221 L HA -0.274 4.066 4.340 -0.000 0.000 0.221 221 L C 2.590 179.360 176.870 -0.167 0.000 1.079 221 L CA 1.637 56.332 54.840 -0.241 0.000 0.778 221 L CB -0.258 41.571 42.059 -0.383 0.000 0.893 221 L HN 0.307 nan 8.230 nan 0.000 0.437 222 M N -1.280 118.256 119.600 -0.107 0.000 2.706 222 M HA -0.110 4.370 4.480 -0.000 0.000 0.251 222 M C 1.492 177.825 176.300 0.055 0.000 1.070 222 M CA 1.144 56.442 55.300 -0.003 0.000 1.073 222 M CB 0.044 32.650 32.600 0.011 0.000 1.449 222 M HN 0.307 nan 8.290 nan 0.000 0.531 223 A N -1.074 121.770 122.820 0.041 0.000 2.055 223 A HA 0.076 4.396 4.320 -0.000 0.000 0.205 223 A C 1.512 179.146 177.584 0.085 0.000 1.235 223 A CA 0.309 52.378 52.037 0.053 0.000 0.822 223 A CB 0.037 19.050 19.000 0.023 0.000 0.903 223 A HN 0.396 nan 8.150 nan 0.000 0.473 224 D N -0.354 120.119 120.400 0.121 0.000 2.165 224 D HA -0.048 4.592 4.640 -0.000 0.000 0.213 224 D C 0.729 177.163 176.300 0.224 0.000 0.983 224 D CA 1.139 55.237 54.000 0.164 0.000 0.881 224 D CB -0.675 40.265 40.800 0.234 0.000 1.028 224 D HN 0.397 nan 8.370 nan 0.000 0.457 225 Y N 1.662 121.942 120.300 -0.033 0.000 2.621 225 Y HA 0.004 4.554 4.550 -0.000 0.000 0.330 225 Y C -0.089 175.939 175.900 0.214 0.000 1.219 225 Y CA -0.420 57.682 58.100 0.004 0.000 1.286 225 Y CB -1.365 36.925 38.460 -0.282 0.000 1.053 225 Y HN -0.068 nan 8.280 nan 0.000 0.498 226 D N -0.456 120.121 120.400 0.295 0.000 2.779 226 D HA -0.249 4.391 4.640 -0.000 0.000 0.223 226 D C 0.049 176.561 176.300 0.353 0.000 1.227 226 D CA 0.837 54.988 54.000 0.251 0.000 0.653 226 D CB -1.104 39.794 40.800 0.164 0.000 0.973 226 D HN 0.129 nan 8.370 nan 0.000 0.402 227 F N -0.590 119.384 119.950 0.039 0.000 2.282 227 F HA 0.537 5.064 4.527 -0.000 0.000 0.289 227 F C 2.141 177.885 175.800 -0.093 0.000 0.959 227 F CA -0.075 57.903 58.000 -0.037 0.000 1.129 227 F CB 0.285 39.247 39.000 -0.062 0.000 1.864 227 F HN -0.025 nan 8.300 nan 0.000 0.569 228 T N -1.540 112.973 114.554 -0.069 0.000 3.664 228 T HA 0.240 4.590 4.350 -0.000 0.000 0.301 228 T C -1.607 172.994 174.700 -0.165 0.000 0.877 228 T CA 0.138 62.167 62.100 -0.119 0.000 0.864 228 T CB -0.708 68.084 68.868 -0.127 0.000 1.209 228 T HN 0.151 nan 8.240 nan 0.000 0.764 229 V N 2.933 122.712 119.914 -0.225 0.000 2.610 229 V HA 0.497 4.617 4.120 -0.000 0.000 0.288 229 V C -0.787 175.399 176.094 0.154 0.000 1.055 229 V CA -0.880 61.368 62.300 -0.086 0.000 0.902 229 V CB 1.592 33.300 31.823 -0.192 0.000 1.030 229 V HN 0.325 nan 8.190 nan 0.000 0.448 230 L N 6.741 128.046 121.223 0.137 0.000 2.295 230 L HA 0.601 4.941 4.340 -0.000 0.000 0.285 230 L C -2.270 174.623 176.870 0.039 0.000 1.035 230 L CA -1.711 53.215 54.840 0.144 0.000 0.806 230 L CB 2.802 44.877 42.059 0.027 0.000 1.214 230 L HN 0.362 nan 8.230 nan 0.000 0.426 231 P HA 0.163 nan 4.420 nan 0.000 0.287 231 P C -0.761 176.493 177.300 -0.075 0.000 1.281 231 P CA -0.295 62.681 63.100 -0.207 0.000 0.781 231 P CB 1.758 33.369 31.700 -0.149 0.000 0.903 232 V N 5.069 124.920 119.914 -0.106 0.000 2.439 232 V HA 0.315 4.435 4.120 -0.000 0.000 0.282 232 V C 0.946 177.040 176.094 0.000 0.000 1.039 232 V CA -0.430 61.854 62.300 -0.027 0.000 0.913 232 V CB 1.573 33.399 31.823 0.005 0.000 0.983 232 V HN 0.490 nan 8.190 nan 0.000 0.460 233 V N 1.659 121.604 119.914 0.051 0.000 3.113 233 V HA 0.888 5.008 4.120 -0.000 0.000 0.316 233 V C -0.757 175.377 176.094 0.066 0.000 1.125 233 V CA -0.803 61.546 62.300 0.082 0.000 1.026 233 V CB 2.226 34.163 31.823 0.190 0.000 1.080 233 V HN 0.839 nan 8.190 nan 0.000 0.444 234 D N -0.217 120.224 120.400 0.067 0.000 2.506 234 D HA 0.397 5.037 4.640 -0.000 0.000 0.254 234 D C 0.672 176.990 176.300 0.029 0.000 1.089 234 D CA -0.479 53.548 54.000 0.044 0.000 1.050 234 D CB 1.095 41.934 40.800 0.064 0.000 1.221 234 D HN 0.519 nan 8.370 nan 0.000 0.589 235 E N -0.321 119.879 120.200 0.000 0.000 2.164 235 E HA -0.258 4.092 4.350 -0.000 0.000 0.206 235 E C 1.419 178.030 176.600 0.019 0.000 1.032 235 E CA 2.046 58.444 56.400 -0.003 0.000 0.832 235 E CB -0.097 29.593 29.700 -0.017 0.000 0.742 235 E HN 0.566 nan 8.360 nan 0.000 0.460 236 E N -1.879 118.337 120.200 0.028 0.000 2.086 236 E HA 0.109 4.459 4.350 -0.000 0.000 0.190 236 E C 1.090 177.715 176.600 0.042 0.000 0.975 236 E CA 1.098 57.516 56.400 0.031 0.000 0.813 236 E CB 0.433 30.149 29.700 0.027 0.000 0.768 236 E HN 0.286 nan 8.360 nan 0.000 0.457 237 G N -0.031 108.802 108.800 0.054 0.000 2.200 237 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.145 237 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.145 237 G C -0.243 174.682 174.900 0.041 0.000 1.021 237 G CA -0.372 44.765 45.100 0.063 0.000 0.720 237 G HN 0.047 nan 8.290 nan 0.000 0.494 238 R N -0.127 120.398 120.500 0.041 0.000 2.490 238 R HA 0.544 4.884 4.340 -0.000 0.000 0.278 238 R C 0.226 176.540 176.300 0.022 0.000 1.069 238 R CA -0.554 55.565 56.100 0.032 0.000 1.080 238 R CB 1.383 31.709 30.300 0.044 0.000 1.030 238 R HN 0.236 nan 8.270 nan 0.000 0.491 239 L N 3.567 124.779 121.223 -0.019 0.000 2.342 239 L HA 0.149 4.489 4.340 -0.000 0.000 0.285 239 L C -0.479 176.359 176.870 -0.054 0.000 1.095 239 L CA -0.204 54.572 54.840 -0.107 0.000 0.843 239 L CB 0.642 42.549 42.059 -0.254 0.000 1.201 239 L HN 0.439 nan 8.230 nan 0.000 0.445 240 V N 4.495 124.420 119.914 0.018 0.000 2.804 240 V HA 0.669 4.789 4.120 -0.000 0.000 0.360 240 V C 0.488 176.681 176.094 0.165 0.000 1.282 240 V CA 0.060 62.446 62.300 0.144 0.000 1.274 240 V CB -0.496 31.407 31.823 0.135 0.000 1.415 240 V HN 0.968 nan 8.190 nan 0.000 0.610 241 G N 0.845 109.731 108.800 0.145 0.000 2.321 241 G HA2 0.355 4.315 3.960 -0.000 0.000 0.339 241 G HA3 0.355 4.315 3.960 -0.000 0.000 0.339 241 G C -1.526 173.370 174.900 -0.007 0.000 1.518 241 G CA -0.190 45.002 45.100 0.153 0.000 0.994 241 G HN 0.514 nan 8.290 nan 0.000 0.668 242 I N -1.034 119.557 120.570 0.036 0.000 3.002 242 I HA 0.907 5.077 4.170 -0.000 0.000 0.310 242 I C -1.106 175.018 176.117 0.011 0.000 1.087 242 I CA -1.456 59.819 61.300 -0.043 0.000 1.017 242 I CB 2.404 40.392 38.000 -0.020 0.000 1.226 242 I HN 0.535 nan 8.210 nan 0.000 0.443 243 V N 2.694 122.614 119.914 0.009 0.000 2.638 243 V HA 0.435 4.555 4.120 -0.000 0.000 0.306 243 V C 0.014 176.125 176.094 0.029 0.000 1.052 243 V CA -0.448 61.863 62.300 0.017 0.000 0.885 243 V CB 1.695 33.518 31.823 0.001 0.000 0.999 243 V HN 0.898 nan 8.190 nan 0.000 0.424 244 T N 2.556 117.129 114.554 0.031 0.000 2.899 244 T HA 0.352 4.702 4.350 -0.000 0.000 0.284 244 T C 1.192 175.902 174.700 0.017 0.000 1.004 244 T CA -0.393 61.727 62.100 0.035 0.000 1.043 244 T CB 2.205 71.101 68.868 0.047 0.000 1.013 244 T HN 0.293 nan 8.240 nan 0.000 0.518 245 V N 1.687 121.610 119.914 0.014 0.000 2.323 245 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 245 V C 2.491 178.586 176.094 0.002 0.000 1.041 245 V CA 2.116 64.421 62.300 0.008 0.000 1.025 245 V CB -0.584 31.244 31.823 0.008 0.000 0.656 245 V HN 1.036 nan 8.190 nan 0.000 0.451 246 D N -0.915 119.489 120.400 0.007 0.000 2.354 246 D HA -0.238 4.402 4.640 -0.000 0.000 0.216 246 D C 1.426 177.716 176.300 -0.018 0.000 0.970 246 D CA 1.309 55.309 54.000 -0.000 0.000 0.905 246 D CB -0.168 40.642 40.800 0.017 0.000 0.903 246 D HN 0.430 nan 8.370 nan 0.000 0.508 247 D N 0.148 120.541 120.400 -0.011 0.000 2.201 247 D HA -0.085 4.555 4.640 -0.000 0.000 0.209 247 D C 1.994 178.275 176.300 -0.031 0.000 0.961 247 D CA 0.459 54.445 54.000 -0.022 0.000 0.861 247 D CB 0.311 41.108 40.800 -0.005 0.000 0.997 247 D HN 0.106 nan 8.370 nan 0.000 0.486 248 V N 0.106 120.006 119.914 -0.022 0.000 2.878 248 V HA 0.074 4.194 4.120 -0.000 0.000 0.250 248 V C 2.009 178.084 176.094 -0.031 0.000 1.075 248 V CA 0.540 62.823 62.300 -0.027 0.000 1.096 248 V CB -0.169 31.641 31.823 -0.023 0.000 0.724 248 V HN 0.191 nan 8.190 nan 0.000 0.467 249 L N 0.365 121.572 121.223 -0.026 0.000 2.263 249 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 249 L C 1.853 178.699 176.870 -0.039 0.000 1.111 249 L CA 2.414 57.238 54.840 -0.027 0.000 0.773 249 L CB -0.284 41.762 42.059 -0.022 0.000 0.906 249 L HN 0.411 nan 8.230 nan 0.000 0.439 250 D N -1.645 118.726 120.400 -0.049 0.000 2.197 250 D HA -0.086 4.554 4.640 -0.000 0.000 0.212 250 D C 2.226 178.492 176.300 -0.057 0.000 0.963 250 D CA 1.128 55.092 54.000 -0.061 0.000 0.864 250 D CB 0.069 40.823 40.800 -0.077 0.000 1.009 250 D HN 0.069 nan 8.370 nan 0.000 0.479 251 V N 1.282 121.165 119.914 -0.052 0.000 2.511 251 V HA -0.285 3.835 4.120 -0.000 0.000 0.257 251 V C 2.349 178.411 176.094 -0.053 0.000 1.088 251 V CA 1.242 63.512 62.300 -0.051 0.000 1.098 251 V CB -0.550 31.247 31.823 -0.045 0.000 0.674 251 V HN 0.274 nan 8.190 nan 0.000 0.470 252 L N -0.582 120.612 121.223 -0.049 0.000 1.971 252 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 252 L C 2.589 179.424 176.870 -0.058 0.000 1.083 252 L CA 1.749 56.560 54.840 -0.049 0.000 0.753 252 L CB -0.837 41.198 42.059 -0.040 0.000 0.893 252 L HN 0.252 nan 8.230 nan 0.000 0.436 253 E N 0.021 120.188 120.200 -0.056 0.000 2.253 253 E HA -0.285 4.065 4.350 -0.000 0.000 0.202 253 E C 1.967 178.517 176.600 -0.082 0.000 1.014 253 E CA 1.204 57.566 56.400 -0.064 0.000 0.823 253 E CB -0.051 29.615 29.700 -0.056 0.000 0.736 253 E HN 0.517 nan 8.360 nan 0.000 0.478 254 A N 1.390 124.162 122.820 -0.079 0.000 1.835 254 A HA -0.138 4.182 4.320 -0.000 0.000 0.213 254 A C 1.927 179.451 177.584 -0.099 0.000 1.210 254 A CA 0.820 52.803 52.037 -0.090 0.000 0.605 254 A CB -0.226 18.730 19.000 -0.074 0.000 0.860 254 A HN 0.058 nan 8.150 nan 0.000 0.447 255 E N 0.053 120.205 120.200 -0.080 0.000 2.409 255 E HA -0.069 4.281 4.350 -0.000 0.000 0.198 255 E C 2.041 178.591 176.600 -0.084 0.000 1.024 255 E CA 0.833 57.186 56.400 -0.078 0.000 0.861 255 E CB -0.196 29.465 29.700 -0.064 0.000 0.788 255 E HN 0.573 nan 8.360 nan 0.000 0.521 256 A N 0.424 123.192 122.820 -0.086 0.000 1.898 256 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 256 A C 2.326 179.847 177.584 -0.106 0.000 1.183 256 A CA 1.207 53.195 52.037 -0.083 0.000 0.622 256 A CB -0.295 18.663 19.000 -0.070 0.000 0.824 256 A HN 0.105 nan 8.150 nan 0.000 0.444 257 T N -0.681 113.784 114.554 -0.149 0.000 3.043 257 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 257 T C 1.764 176.267 174.700 -0.329 0.000 1.094 257 T CA 1.045 62.999 62.100 -0.243 0.000 1.127 257 T CB -0.048 68.651 68.868 -0.282 0.000 0.905 257 T HN 0.664 nan 8.240 nan 0.000 0.490 258 E N 0.893 120.964 120.200 -0.215 0.000 2.152 258 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 258 E C 1.197 177.746 176.600 -0.086 0.000 0.983 258 E CA 1.050 57.361 56.400 -0.148 0.000 0.818 258 E CB 0.075 29.716 29.700 -0.098 0.000 0.758 258 E HN 0.317 nan 8.360 nan 0.000 0.467 259 D N 0.625 120.972 120.400 -0.089 0.000 2.110 259 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 259 D C 2.069 178.335 176.300 -0.057 0.000 0.975 259 D CA 0.758 54.715 54.000 -0.073 0.000 0.839 259 D CB -0.171 40.586 40.800 -0.072 0.000 0.996 259 D HN 0.244 nan 8.370 nan 0.000 0.464 260 I N 0.429 120.970 120.570 -0.048 0.000 2.335 260 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 260 I C 2.168 178.317 176.117 0.052 0.000 1.129 260 I CA 1.099 62.391 61.300 -0.013 0.000 1.402 260 I CB -0.288 37.710 38.000 -0.004 0.000 1.069 260 I HN 0.197 nan 8.210 nan 0.000 0.424 261 H N 1.135 120.139 119.070 -0.109 0.000 2.276 261 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 261 H C 1.799 177.016 175.328 -0.185 0.000 1.073 261 H CA 0.845 56.815 56.048 -0.129 0.000 1.311 261 H CB 0.070 29.767 29.762 -0.109 0.000 1.379 261 H HN 0.185 nan 8.280 nan 0.000 0.494 262 K N 0.825 121.181 120.400 -0.073 0.000 2.589 262 K HA -0.131 4.189 4.320 -0.000 0.000 0.195 262 K C 0.039 176.482 176.600 -0.261 0.000 1.042 262 K CA 0.249 56.395 56.287 -0.235 0.000 0.940 262 K CB 0.024 32.408 32.500 -0.194 0.000 0.776 262 K HN 0.053 nan 8.250 nan 0.000 0.487 263 L N 0.531 121.653 121.223 -0.168 0.000 2.865 263 L HA 0.222 4.562 4.340 -0.000 0.000 0.233 263 L C 0.382 177.161 176.870 -0.152 0.000 1.320 263 L CA 0.045 54.798 54.840 -0.144 0.000 1.225 263 L CB 0.713 42.718 42.059 -0.089 0.000 1.542 263 L HN 0.196 nan 8.230 nan 0.000 0.432 264 G N -1.323 107.342 108.800 -0.225 0.000 2.356 264 G HA2 0.398 4.358 3.960 -0.000 0.000 0.281 264 G HA3 0.398 4.358 3.960 -0.000 0.000 0.281 264 G C 0.025 174.736 174.900 -0.315 0.000 1.246 264 G CA 0.043 45.024 45.100 -0.198 0.000 0.889 264 G HN 0.068 nan 8.290 nan 0.000 0.486 265 A N -0.791 121.889 122.820 -0.233 0.000 1.887 265 A HA 0.471 4.791 4.320 -0.000 0.000 0.212 265 A C 1.514 178.847 177.584 -0.419 0.000 1.198 265 A CA 1.400 53.291 52.037 -0.243 0.000 0.628 265 A CB -0.776 18.260 19.000 0.060 0.000 0.847 265 A HN 1.585 nan 8.150 nan 0.000 0.449 266 V N 2.311 122.069 119.914 -0.260 0.000 3.142 266 V HA -0.149 3.971 4.120 -0.000 0.000 0.258 266 V C -0.232 175.719 176.094 -0.238 0.000 0.964 266 V CA 1.488 63.651 62.300 -0.228 0.000 1.132 266 V CB -1.509 30.119 31.823 -0.324 0.000 0.769 266 V HN 0.541 nan 8.190 nan 0.000 0.452 267 D N 4.542 124.845 120.400 -0.162 0.000 2.434 267 D HA 0.534 5.174 4.640 -0.000 0.000 0.275 267 D C -0.803 175.514 176.300 0.028 0.000 1.172 267 D CA -0.125 53.812 54.000 -0.105 0.000 0.916 267 D CB 1.031 41.773 40.800 -0.096 0.000 1.041 267 D HN 0.262 nan 8.370 nan 0.000 0.501 268 V N 4.668 124.599 119.914 0.028 0.000 2.711 268 V HA 0.305 4.425 4.120 -0.000 0.000 0.304 268 V C -1.554 174.567 176.094 0.045 0.000 1.097 268 V CA -1.422 60.906 62.300 0.046 0.000 0.906 268 V CB 2.012 33.867 31.823 0.054 0.000 1.015 268 V HN 0.338 nan 8.190 nan 0.000 0.427 269 P HA -0.156 nan 4.420 nan 0.000 0.220 269 P C 0.044 177.348 177.300 0.006 0.000 0.963 269 P CA 0.980 64.085 63.100 0.009 0.000 1.015 269 P CB 0.144 31.846 31.700 0.004 0.000 0.609 270 D N 0.122 120.523 120.400 0.001 0.000 2.343 270 D HA 0.278 4.918 4.640 -0.000 0.000 0.255 270 D C -0.257 176.061 176.300 0.028 0.000 1.187 270 D CA 0.454 54.451 54.000 -0.004 0.000 0.875 270 D CB 0.041 40.833 40.800 -0.013 0.000 1.136 270 D HN 0.025 nan 8.370 nan 0.000 0.469 271 L N 3.044 124.295 121.223 0.046 0.000 2.438 271 L HA 0.382 4.722 4.340 -0.000 0.000 0.270 271 L C -0.294 176.660 176.870 0.140 0.000 0.972 271 L CA -0.790 54.123 54.840 0.121 0.000 0.831 271 L CB 2.173 44.371 42.059 0.231 0.000 1.273 271 L HN 0.041 nan 8.230 nan 0.000 0.405 272 V N 1.583 121.577 119.914 0.134 0.000 3.177 272 V HA 0.375 4.495 4.120 -0.000 0.000 0.319 272 V C -0.204 176.027 176.094 0.228 0.000 1.125 272 V CA -0.423 61.965 62.300 0.146 0.000 1.029 272 V CB 2.198 34.074 31.823 0.090 0.000 1.119 272 V HN 0.639 nan 8.190 nan 0.000 0.452 273 Y N 1.438 121.775 120.300 0.062 0.000 2.331 273 Y HA 0.000 4.550 4.550 -0.000 0.000 0.282 273 Y C 2.700 178.624 175.900 0.040 0.000 1.140 273 Y CA 1.480 59.611 58.100 0.052 0.000 1.198 273 Y CB -0.577 37.913 38.460 0.050 0.000 1.159 273 Y HN 0.709 nan 8.280 nan 0.000 0.512 274 S N 0.138 115.827 115.700 -0.019 0.000 2.428 274 S HA -0.252 4.218 4.470 -0.000 0.000 0.240 274 S C 0.460 174.996 174.600 -0.108 0.000 1.036 274 S CA 1.615 59.755 58.200 -0.100 0.000 1.009 274 S CB -0.799 62.411 63.200 0.016 0.000 0.803 274 S HN 0.559 nan 8.310 nan 0.000 0.486 275 E N 1.639 121.806 120.200 -0.056 0.000 2.167 275 E HA 0.685 5.035 4.350 -0.000 0.000 0.247 275 E C -0.660 175.913 176.600 -0.046 0.000 0.961 275 E CA 0.070 56.446 56.400 -0.041 0.000 0.797 275 E CB 1.076 30.776 29.700 -0.001 0.000 1.182 275 E HN 0.515 nan 8.360 nan 0.000 0.437 276 A N 2.046 124.817 122.820 -0.083 0.000 1.957 276 A HA 0.416 4.736 4.320 -0.000 0.000 0.286 276 A C 0.094 177.633 177.584 -0.075 0.000 0.993 276 A CA -0.587 51.418 52.037 -0.054 0.000 0.961 276 A CB -0.039 18.949 19.000 -0.020 0.000 1.207 276 A HN 0.517 nan 8.150 nan 0.000 0.340 277 G N 2.803 111.577 108.800 -0.043 0.000 2.432 277 G HA2 0.429 4.389 3.960 -0.000 0.000 0.239 277 G HA3 0.429 4.389 3.960 -0.000 0.000 0.239 277 G C -0.938 173.957 174.900 -0.009 0.000 1.291 277 G CA -0.730 44.346 45.100 -0.040 0.000 0.863 277 G HN 0.398 nan 8.290 nan 0.000 0.560 278 P HA -0.202 nan 4.420 nan 0.000 0.219 278 P C 2.007 179.359 177.300 0.087 0.000 1.149 278 P CA 0.797 63.915 63.100 0.031 0.000 0.835 278 P CB 0.147 31.848 31.700 0.003 0.000 0.778 279 V N -0.541 119.398 119.914 0.042 0.000 2.407 279 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 279 V C 2.379 178.591 176.094 0.197 0.000 1.055 279 V CA 2.213 64.563 62.300 0.083 0.000 1.049 279 V CB -1.607 30.224 31.823 0.013 0.000 0.662 279 V HN 0.155 nan 8.190 nan 0.000 0.455 280 A N -0.197 122.695 122.820 0.121 0.000 1.845 280 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 280 A C 2.116 179.783 177.584 0.138 0.000 1.195 280 A CA 1.822 53.927 52.037 0.113 0.000 0.616 280 A CB -0.699 18.336 19.000 0.057 0.000 0.832 280 A HN 0.376 nan 8.150 nan 0.000 0.443 281 L N -1.890 119.413 121.223 0.132 0.000 1.978 281 L HA -0.218 4.122 4.340 -0.000 0.000 0.218 281 L C 2.209 179.174 176.870 0.159 0.000 1.075 281 L CA 2.233 57.156 54.840 0.138 0.000 0.767 281 L CB -1.287 40.867 42.059 0.158 0.000 0.890 281 L HN 0.728 nan 8.230 nan 0.000 0.434 282 W N 0.765 122.083 121.300 0.029 0.000 2.274 282 W HA -0.384 4.276 4.660 -0.000 0.000 0.333 282 W C 2.601 179.139 176.519 0.032 0.000 1.290 282 W CA 3.173 60.535 57.345 0.028 0.000 1.208 282 W CB -0.872 28.599 29.460 0.018 0.000 1.155 282 W HN 0.298 nan 8.180 nan 0.000 0.462 283 L N 0.248 121.592 121.223 0.201 0.000 2.064 283 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 283 L C 2.141 178.913 176.870 -0.162 0.000 1.077 283 L CA 3.175 57.970 54.840 -0.076 0.000 0.766 283 L CB -1.976 40.184 42.059 0.168 0.000 0.890 283 L HN 0.111 nan 8.230 nan 0.000 0.435 284 A N 0.049 122.839 122.820 -0.051 0.000 1.844 284 A HA -0.011 4.309 4.320 -0.000 0.000 0.212 284 A C 2.402 179.968 177.584 -0.030 0.000 1.221 284 A CA 1.052 53.077 52.037 -0.020 0.000 0.607 284 A CB -0.503 18.511 19.000 0.023 0.000 0.878 284 A HN 0.432 nan 8.150 nan 0.000 0.451 285 R N -0.538 119.935 120.500 -0.045 0.000 2.134 285 R HA -0.160 4.180 4.340 -0.000 0.000 0.248 285 R C 1.898 178.157 176.300 -0.069 0.000 1.143 285 R CA 1.674 57.748 56.100 -0.043 0.000 0.957 285 R CB -1.219 29.061 30.300 -0.033 0.000 0.867 285 R HN 0.374 nan 8.270 nan 0.000 0.441 286 V N 1.464 121.238 119.914 -0.234 0.000 3.141 286 V HA -0.173 3.947 4.120 -0.000 0.000 0.265 286 V C 2.510 178.462 176.094 -0.236 0.000 1.126 286 V CA 1.292 63.400 62.300 -0.319 0.000 1.141 286 V CB -0.495 30.890 31.823 -0.731 0.000 0.743 286 V HN 0.253 nan 8.190 nan 0.000 0.492 287 R N -1.197 119.207 120.500 -0.160 0.000 2.070 287 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 287 R C 1.935 178.181 176.300 -0.090 0.000 1.137 287 R CA 2.596 58.628 56.100 -0.113 0.000 0.945 287 R CB -0.461 29.827 30.300 -0.021 0.000 0.845 287 R HN 0.557 nan 8.270 nan 0.000 0.430 288 W N 0.185 121.415 121.300 -0.116 0.000 2.413 288 W HA -0.018 4.642 4.660 0.000 0.000 0.315 288 W C 1.863 178.334 176.519 -0.081 0.000 1.186 288 W CA 0.475 57.769 57.345 -0.085 0.000 1.326 288 W CB -0.843 28.575 29.460 -0.070 0.000 1.153 288 W HN 0.124 nan 8.180 nan 0.000 0.489 289 L N 0.142 121.443 121.223 0.130 0.000 2.369 289 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 289 L C 1.795 178.662 176.870 -0.005 0.000 1.119 289 L CA 1.470 56.341 54.840 0.053 0.000 0.780 289 L CB -0.982 41.084 42.059 0.012 0.000 0.906 289 L HN -0.113 nan 8.230 nan 0.000 0.442 290 V N -1.141 118.741 119.914 -0.053 0.000 2.326 290 V HA -0.156 3.964 4.120 -0.000 0.000 0.238 290 V C 2.204 178.240 176.094 -0.097 0.000 1.038 290 V CA 1.431 63.683 62.300 -0.079 0.000 1.032 290 V CB -0.068 31.690 31.823 -0.109 0.000 0.675 290 V HN 0.422 nan 8.190 nan 0.000 0.467 291 I N -0.293 120.176 120.570 -0.168 0.000 2.399 291 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 291 I C 2.198 178.232 176.117 -0.138 0.000 1.146 291 I CA 1.599 62.778 61.300 -0.201 0.000 1.412 291 I CB 0.043 37.821 38.000 -0.372 0.000 1.076 291 I HN 0.315 nan 8.210 nan 0.000 0.432 292 L N 0.720 121.890 121.223 -0.087 0.000 2.056 292 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 292 L C 1.723 178.586 176.870 -0.011 0.000 1.078 292 L CA 1.659 56.492 54.840 -0.013 0.000 0.749 292 L CB -0.354 41.744 42.059 0.064 0.000 0.901 292 L HN 0.178 nan 8.230 nan 0.000 0.433 293 I N -0.106 120.454 120.570 -0.016 0.000 3.812 293 I HA 0.004 4.174 4.170 -0.000 0.000 0.319 293 I C 1.604 177.709 176.117 -0.020 0.000 1.353 293 I CA 0.514 61.808 61.300 -0.010 0.000 1.170 293 I CB -1.017 36.981 38.000 -0.003 0.000 1.057 293 I HN 0.357 nan 8.210 nan 0.000 0.411 294 L N -0.388 120.815 121.223 -0.034 0.000 2.269 294 L HA 0.053 4.393 4.340 -0.000 0.000 0.200 294 L C 2.113 178.967 176.870 -0.027 0.000 1.069 294 L CA 0.950 55.768 54.840 -0.037 0.000 0.804 294 L CB -0.206 41.818 42.059 -0.058 0.000 0.987 294 L HN -0.026 nan 8.230 nan 0.000 0.468 295 T N 0.038 114.574 114.554 -0.029 0.000 2.857 295 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 295 T C 1.623 176.318 174.700 -0.009 0.000 1.048 295 T CA 1.234 63.323 62.100 -0.018 0.000 1.139 295 T CB -0.446 68.411 68.868 -0.018 0.000 0.874 295 T HN 0.638 nan 8.240 nan 0.000 0.455 296 G N 1.202 109.998 108.800 -0.005 0.000 2.432 296 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 296 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 296 G C 1.597 176.496 174.900 -0.002 0.000 1.135 296 G CA 0.509 45.609 45.100 0.000 0.000 0.767 296 G HN 0.366 nan 8.290 nan 0.000 0.550 297 M N 0.373 119.971 119.600 -0.004 0.000 2.073 297 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 297 M C 2.731 179.030 176.300 -0.002 0.000 1.070 297 M CA 1.357 56.656 55.300 -0.002 0.000 1.103 297 M CB -0.773 31.823 32.600 -0.005 0.000 1.321 297 M HN 0.148 nan 8.290 nan 0.000 0.405 298 V N 0.641 120.553 119.914 -0.004 0.000 2.527 298 V HA -0.294 3.826 4.120 -0.000 0.000 0.255 298 V C 2.599 178.687 176.094 -0.010 0.000 1.081 298 V CA 2.232 64.530 62.300 -0.004 0.000 1.092 298 V CB -2.048 29.772 31.823 -0.005 0.000 0.673 298 V HN 0.693 nan 8.190 nan 0.000 0.470 299 T N -2.435 112.113 114.554 -0.010 0.000 2.684 299 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 299 T C 1.992 176.683 174.700 -0.015 0.000 1.036 299 T CA 2.122 64.213 62.100 -0.015 0.000 1.148 299 T CB -0.547 68.317 68.868 -0.007 0.000 0.863 299 T HN 0.422 nan 8.240 nan 0.000 0.436 300 S N 0.933 116.630 115.700 -0.004 0.000 2.461 300 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 300 S C 2.300 176.904 174.600 0.007 0.000 1.005 300 S CA 1.136 59.337 58.200 0.002 0.000 0.942 300 S CB -0.713 62.492 63.200 0.009 0.000 0.776 300 S HN 0.843 nan 8.310 nan 0.000 0.514 301 S N 0.562 116.266 115.700 0.006 0.000 2.406 301 S HA 0.016 4.487 4.470 -0.000 0.000 0.228 301 S C 1.632 176.246 174.600 0.024 0.000 1.020 301 S CA 0.583 58.793 58.200 0.017 0.000 0.965 301 S CB -0.412 62.797 63.200 0.016 0.000 0.798 301 S HN 0.409 nan 8.310 nan 0.000 0.488 302 I N 1.245 121.811 120.570 -0.005 0.000 2.584 302 I HA 0.164 4.334 4.170 -0.000 0.000 0.255 302 I C 2.031 178.108 176.117 -0.067 0.000 1.145 302 I CA 0.290 61.568 61.300 -0.036 0.000 1.462 302 I CB -0.432 37.501 38.000 -0.111 0.000 1.102 302 I HN 0.290 nan 8.210 nan 0.000 0.433 303 L N 0.043 121.236 121.223 -0.050 0.000 2.450 303 L HA -0.200 4.140 4.340 -0.000 0.000 0.224 303 L C 2.063 178.963 176.870 0.050 0.000 1.149 303 L CA 1.466 56.292 54.840 -0.024 0.000 0.816 303 L CB -0.582 41.476 42.059 -0.000 0.000 0.932 303 L HN 0.371 nan 8.230 nan 0.000 0.449 304 Q N -0.553 119.288 119.800 0.068 0.000 2.084 304 Q HA 0.024 4.364 4.340 -0.000 0.000 0.194 304 Q C 2.069 178.164 176.000 0.158 0.000 0.969 304 Q CA 1.489 57.348 55.803 0.093 0.000 0.829 304 Q CB -0.504 28.273 28.738 0.065 0.000 0.904 304 Q HN 0.360 nan 8.270 nan 0.000 0.464 305 G N -0.248 108.679 108.800 0.212 0.000 2.550 305 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.222 305 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.222 305 G C 0.164 175.260 174.900 0.327 0.000 1.113 305 G CA 0.875 46.143 45.100 0.280 0.000 0.748 305 G HN 0.326 nan 8.290 nan 0.000 0.585 306 F N 0.753 120.705 119.950 0.003 0.000 2.732 306 F HA 0.326 4.853 4.527 -0.000 0.000 0.312 306 F C 1.427 177.226 175.800 -0.001 0.000 1.240 306 F CA -1.264 56.735 58.000 -0.002 0.000 1.211 306 F CB 0.282 39.280 39.000 -0.003 0.000 1.331 306 F HN 0.466 nan 8.300 nan 0.000 0.537 307 E N -0.926 119.359 120.200 0.142 0.000 2.251 307 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 307 E C 1.993 178.620 176.600 0.046 0.000 0.964 307 E CA 0.970 57.421 56.400 0.085 0.000 0.868 307 E CB -0.154 29.584 29.700 0.064 0.000 0.828 307 E HN 0.246 nan 8.360 nan 0.000 0.481 308 S N 1.207 116.919 115.700 0.020 0.000 2.353 308 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 308 S C 2.136 176.734 174.600 -0.003 0.000 1.035 308 S CA 1.433 59.630 58.200 -0.004 0.000 1.025 308 S CB -0.876 62.306 63.200 -0.030 0.000 0.902 308 S HN 0.176 nan 8.310 nan 0.000 0.440 309 V N 1.696 121.607 119.914 -0.004 0.000 2.809 309 V HA 0.031 4.151 4.120 -0.000 0.000 0.256 309 V C 2.380 178.484 176.094 0.016 0.000 1.080 309 V CA 1.281 63.580 62.300 -0.002 0.000 1.102 309 V CB -0.783 31.035 31.823 -0.008 0.000 0.705 309 V HN 0.460 nan 8.190 nan 0.000 0.475 310 L N 1.473 122.721 121.223 0.042 0.000 2.156 310 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 310 L C 2.527 179.414 176.870 0.028 0.000 1.095 310 L CA 2.007 56.872 54.840 0.043 0.000 0.770 310 L CB -0.750 41.353 42.059 0.072 0.000 0.914 310 L HN 0.614 nan 8.230 nan 0.000 0.439 311 E N -0.749 119.466 120.200 0.025 0.000 2.333 311 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 311 E C 1.798 178.405 176.600 0.013 0.000 1.007 311 E CA 0.970 57.382 56.400 0.021 0.000 0.845 311 E CB -0.339 29.371 29.700 0.016 0.000 0.766 311 E HN 0.529 nan 8.360 nan 0.000 0.507 312 A N 1.664 124.487 122.820 0.004 0.000 1.898 312 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 312 A C 2.054 179.629 177.584 -0.015 0.000 1.183 312 A CA 0.672 52.705 52.037 -0.006 0.000 0.622 312 A CB -0.293 18.699 19.000 -0.014 0.000 0.824 312 A HN 0.157 nan 8.150 nan 0.000 0.444 313 V N 1.442 121.342 119.914 -0.022 0.000 3.299 313 V HA -0.025 4.095 4.120 -0.000 0.000 0.369 313 V C 1.690 177.771 176.094 -0.022 0.000 1.245 313 V CA 1.137 63.407 62.300 -0.049 0.000 1.459 313 V CB -1.747 30.037 31.823 -0.067 0.000 1.203 313 V HN 0.522 nan 8.190 nan 0.000 0.451 314 T N 2.016 116.571 114.554 0.003 0.000 2.590 314 T HA -0.127 4.223 4.350 -0.000 0.000 0.257 314 T C 2.190 176.932 174.700 0.071 0.000 1.080 314 T CA 1.763 63.891 62.100 0.047 0.000 1.180 314 T CB -0.229 68.670 68.868 0.050 0.000 0.865 314 T HN 0.647 nan 8.240 nan 0.000 0.403 315 A N 0.755 123.595 122.820 0.035 0.000 2.171 315 A HA -0.069 4.251 4.320 -0.000 0.000 0.223 315 A C 1.121 178.600 177.584 -0.174 0.000 1.166 315 A CA 1.365 53.424 52.037 0.036 0.000 0.668 315 A CB -0.391 18.605 19.000 -0.007 0.000 0.807 315 A HN 0.342 nan 8.150 nan 0.000 0.475 316 L N -4.982 116.061 121.223 -0.300 0.000 2.833 316 L HA 0.714 5.054 4.340 -0.000 0.000 0.241 316 L C 1.561 178.179 176.870 -0.419 0.000 1.584 316 L CA 0.730 55.054 54.840 -0.859 0.000 1.637 316 L CB -0.092 41.583 42.059 -0.640 0.000 1.875 316 L HN 0.870 nan 8.230 nan 0.000 0.540 317 A N -0.934 121.711 122.820 -0.291 0.000 3.526 317 A HA -0.250 4.070 4.320 -0.000 0.000 0.254 317 A C 1.222 178.895 177.584 0.148 0.000 1.109 317 A CA 1.438 53.518 52.037 0.072 0.000 1.395 317 A CB -2.434 16.635 19.000 0.116 0.000 1.057 317 A HN 0.560 nan 8.150 nan 0.000 0.901 318 F N -1.761 118.096 119.950 -0.156 0.000 2.641 318 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 318 F C 1.246 176.859 175.800 -0.311 0.000 1.146 318 F CA 0.500 58.345 58.000 -0.258 0.000 1.464 318 F CB -0.307 38.455 39.000 -0.397 0.000 1.101 318 F HN 0.463 nan 8.300 nan 0.000 0.585 319 Y N 0.180 120.561 120.300 0.136 0.000 2.928 319 Y HA 0.249 4.799 4.550 -0.000 0.000 0.390 319 Y C 0.839 176.626 175.900 -0.188 0.000 1.101 319 Y CA -0.636 57.479 58.100 0.024 0.000 1.777 319 Y CB 0.163 38.658 38.460 0.059 0.000 1.720 319 Y HN -0.085 nan 8.280 nan 0.000 0.484 320 V N 0.106 120.021 119.914 0.002 0.000 3.612 320 V HA 0.039 4.159 4.120 -0.000 0.000 0.268 320 V C -1.172 174.897 176.094 -0.042 0.000 1.365 320 V CA 0.013 62.254 62.300 -0.098 0.000 1.044 320 V CB 0.046 31.876 31.823 0.013 0.000 0.820 320 V HN 0.301 nan 8.190 nan 0.000 0.444 321 P HA -0.003 nan 4.420 nan 0.000 0.211 321 P C 1.774 179.090 177.300 0.026 0.000 1.188 321 P CA 1.332 64.446 63.100 0.024 0.000 0.904 321 P CB 0.071 31.795 31.700 0.041 0.000 0.765 322 V N 1.323 121.276 119.914 0.065 0.000 2.392 322 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 322 V C 2.801 178.905 176.094 0.017 0.000 1.059 322 V CA 1.511 63.850 62.300 0.064 0.000 1.051 322 V CB -1.606 30.289 31.823 0.120 0.000 0.658 322 V HN 0.058 nan 8.190 nan 0.000 0.455 323 L N -0.121 121.085 121.223 -0.028 0.000 1.988 323 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 323 L C 2.328 179.145 176.870 -0.088 0.000 1.071 323 L CA 2.215 56.988 54.840 -0.113 0.000 0.744 323 L CB -0.868 40.992 42.059 -0.332 0.000 0.893 323 L HN 0.279 nan 8.230 nan 0.000 0.433 324 L N 0.349 121.517 121.223 -0.091 0.000 2.275 324 L HA -0.022 4.318 4.340 -0.000 0.000 0.215 324 L C 2.496 179.359 176.870 -0.012 0.000 1.119 324 L CA 1.434 56.246 54.840 -0.047 0.000 0.790 324 L CB -1.117 40.918 42.059 -0.041 0.000 0.919 324 L HN 0.350 nan 8.230 nan 0.000 0.443 325 G N -2.015 106.782 108.800 -0.005 0.000 2.404 325 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.213 325 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.213 325 G C 1.521 176.430 174.900 0.015 0.000 1.189 325 G CA 0.925 46.031 45.100 0.009 0.000 0.796 325 G HN 0.308 nan 8.290 nan 0.000 0.532 326 T N 1.235 115.799 114.554 0.016 0.000 2.759 326 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 326 T C 2.417 177.135 174.700 0.029 0.000 1.042 326 T CA 1.472 63.586 62.100 0.024 0.000 1.140 326 T CB -0.495 68.389 68.868 0.027 0.000 0.864 326 T HN 0.352 nan 8.240 nan 0.000 0.455 327 G N 0.547 109.363 108.800 0.027 0.000 2.443 327 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 327 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 327 G C 1.578 176.501 174.900 0.039 0.000 1.131 327 G CA 0.862 45.987 45.100 0.042 0.000 0.775 327 G HN 0.572 nan 8.290 nan 0.000 0.547 328 G N 0.728 109.545 108.800 0.028 0.000 2.408 328 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 328 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 328 G C 1.565 176.478 174.900 0.022 0.000 1.177 328 G CA 0.745 45.860 45.100 0.025 0.000 0.802 328 G HN 0.530 nan 8.290 nan 0.000 0.533 329 N N 0.122 118.834 118.700 0.021 0.000 2.091 329 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 329 N C 2.225 177.746 175.510 0.018 0.000 1.021 329 N CA 1.595 54.656 53.050 0.017 0.000 0.862 329 N CB -0.242 38.256 38.487 0.019 0.000 1.018 329 N HN 0.213 nan 8.380 nan 0.000 0.429 330 T N 0.151 114.719 114.554 0.023 0.000 2.595 330 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 330 T C 2.032 176.741 174.700 0.015 0.000 1.058 330 T CA 1.550 63.664 62.100 0.022 0.000 1.166 330 T CB -0.906 67.983 68.868 0.034 0.000 0.863 330 T HN 0.466 nan 8.240 nan 0.000 0.415 331 G N 1.886 110.698 108.800 0.020 0.000 2.562 331 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.223 331 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.223 331 G C 1.614 176.520 174.900 0.011 0.000 1.102 331 G CA 1.152 46.262 45.100 0.016 0.000 0.742 331 G HN 0.386 nan 8.290 nan 0.000 0.587 332 N N 0.431 119.137 118.700 0.010 0.000 2.085 332 N HA -0.046 4.694 4.740 -0.000 0.000 0.191 332 N C 2.399 177.910 175.510 0.001 0.000 1.058 332 N CA 1.274 54.326 53.050 0.004 0.000 0.849 332 N CB -0.793 37.696 38.487 0.003 0.000 1.038 332 N HN 0.405 nan 8.380 nan 0.000 0.434 333 Q N 0.498 120.299 119.800 0.002 0.000 2.124 333 Q HA -0.249 4.091 4.340 -0.000 0.000 0.215 333 Q C 2.076 178.078 176.000 0.003 0.000 1.015 333 Q CA 2.324 58.128 55.803 0.001 0.000 0.890 333 Q CB -0.539 28.201 28.738 0.004 0.000 0.966 333 Q HN 0.334 nan 8.270 nan 0.000 0.412 334 S N -0.205 115.498 115.700 0.005 0.000 2.414 334 S HA -0.287 4.183 4.470 -0.000 0.000 0.225 334 S C 1.996 176.606 174.600 0.016 0.000 1.041 334 S CA 1.715 59.921 58.200 0.010 0.000 1.114 334 S CB -0.606 62.596 63.200 0.002 0.000 1.064 334 S HN 0.513 nan 8.310 nan 0.000 0.420 335 A N 0.441 123.268 122.820 0.011 0.000 1.917 335 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 335 A C 2.412 179.986 177.584 -0.017 0.000 1.182 335 A CA 2.577 54.616 52.037 0.004 0.000 0.633 335 A CB -1.795 17.206 19.000 0.002 0.000 0.819 335 A HN 0.674 nan 8.150 nan 0.000 0.448 336 T N 0.492 115.036 114.554 -0.017 0.000 2.595 336 T HA -0.170 4.180 4.350 -0.000 0.000 0.264 336 T C 1.845 176.529 174.700 -0.028 0.000 1.058 336 T CA 1.563 63.647 62.100 -0.027 0.000 1.166 336 T CB -0.542 68.313 68.868 -0.021 0.000 0.863 336 T HN 0.367 nan 8.240 nan 0.000 0.415 337 L N 0.389 121.604 121.223 -0.014 0.000 1.997 337 L HA -0.161 4.179 4.340 -0.000 0.000 0.216 337 L C 2.629 179.490 176.870 -0.014 0.000 1.074 337 L CA 1.298 56.133 54.840 -0.008 0.000 0.763 337 L CB -0.585 41.477 42.059 0.006 0.000 0.890 337 L HN 0.283 nan 8.230 nan 0.000 0.434 338 I N -0.374 120.193 120.570 -0.005 0.000 2.179 338 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 338 I C 2.565 178.600 176.117 -0.137 0.000 1.088 338 I CA 1.648 62.929 61.300 -0.031 0.000 1.357 338 I CB -0.666 37.363 38.000 0.048 0.000 1.051 338 I HN 0.261 nan 8.210 nan 0.000 0.409 339 I N 0.833 121.332 120.570 -0.120 0.000 2.118 339 I HA -0.385 3.785 4.170 -0.000 0.000 0.241 339 I C 2.793 178.836 176.117 -0.123 0.000 1.070 339 I CA 1.772 62.987 61.300 -0.141 0.000 1.327 339 I CB -0.368 37.573 38.000 -0.099 0.000 1.034 339 I HN 0.259 nan 8.210 nan 0.000 0.405 340 R N 1.981 122.429 120.500 -0.086 0.000 2.096 340 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 340 R C 2.020 178.277 176.300 -0.072 0.000 1.127 340 R CA 1.932 57.989 56.100 -0.071 0.000 0.968 340 R CB -1.103 29.166 30.300 -0.051 0.000 0.861 340 R HN 0.326 nan 8.270 nan 0.000 0.440 341 A N 1.181 123.958 122.820 -0.072 0.000 1.841 341 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 341 A C 2.260 179.790 177.584 -0.091 0.000 1.199 341 A CA 1.821 53.821 52.037 -0.062 0.000 0.621 341 A CB -0.936 18.040 19.000 -0.041 0.000 0.835 341 A HN 0.342 nan 8.150 nan 0.000 0.445 342 L N -0.499 120.628 121.223 -0.161 0.000 2.151 342 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 342 L C 2.912 179.711 176.870 -0.119 0.000 1.084 342 L CA 1.799 56.528 54.840 -0.185 0.000 0.764 342 L CB -0.500 41.386 42.059 -0.287 0.000 0.891 342 L HN 0.467 nan 8.230 nan 0.000 0.435 343 A N -1.565 121.193 122.820 -0.102 0.000 1.874 343 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 343 A C 2.126 179.675 177.584 -0.058 0.000 1.189 343 A CA 1.636 53.626 52.037 -0.078 0.000 0.615 343 A CB -0.779 18.176 19.000 -0.075 0.000 0.830 343 A HN 0.356 nan 8.150 nan 0.000 0.443 344 T N 0.375 114.899 114.554 -0.050 0.000 3.427 344 T HA 0.077 4.427 4.350 -0.000 0.000 0.256 344 T C 0.514 175.198 174.700 -0.027 0.000 1.172 344 T CA 0.732 62.812 62.100 -0.034 0.000 1.018 344 T CB -0.611 68.241 68.868 -0.027 0.000 0.981 344 T HN 0.599 nan 8.240 nan 0.000 0.555 345 R N 0.298 120.778 120.500 -0.033 0.000 4.016 345 R HA -0.150 4.190 4.340 -0.000 0.000 0.385 345 R C -0.082 176.212 176.300 -0.010 0.000 1.158 345 R CA 1.109 57.196 56.100 -0.023 0.000 1.117 345 R CB -1.691 28.600 30.300 -0.015 0.000 1.635 345 R HN 0.409 nan 8.270 nan 0.000 0.560 346 D N 1.036 121.430 120.400 -0.011 0.000 2.264 346 D HA 0.462 5.102 4.640 -0.000 0.000 0.250 346 D C 0.762 177.072 176.300 0.017 0.000 1.113 346 D CA 0.132 54.136 54.000 0.006 0.000 0.871 346 D CB 0.600 41.402 40.800 0.004 0.000 1.167 346 D HN 0.144 nan 8.370 nan 0.000 0.447 347 L N 1.233 122.486 121.223 0.051 0.000 1.485 347 L HA -0.243 4.097 4.340 -0.000 0.000 0.352 347 L C -0.025 176.896 176.870 0.085 0.000 1.031 347 L CA 0.615 55.516 54.840 0.103 0.000 1.221 347 L CB -0.771 41.368 42.059 0.134 0.000 0.496 347 L HN 0.613 nan 8.230 nan 0.000 0.226 348 D N -1.822 118.673 120.400 0.158 0.000 3.010 348 D HA 0.204 4.844 4.640 -0.000 0.000 0.353 348 D C -0.379 176.031 176.300 0.184 0.000 1.415 348 D CA -0.315 53.744 54.000 0.099 0.000 0.864 348 D CB 0.758 41.600 40.800 0.071 0.000 1.445 348 D HN 0.384 nan 8.370 nan 0.000 0.516 349 L N 1.437 122.697 121.223 0.061 0.000 2.478 349 L HA 0.159 4.499 4.340 -0.000 0.000 0.223 349 L C 2.142 178.922 176.870 -0.151 0.000 1.140 349 L CA 1.447 56.273 54.840 -0.024 0.000 0.842 349 L CB -0.464 41.515 42.059 -0.133 0.000 0.953 349 L HN 0.429 nan 8.230 nan 0.000 0.452 350 R N -2.328 118.193 120.500 0.035 0.000 2.290 350 R HA 0.078 4.418 4.340 -0.000 0.000 0.197 350 R C 0.959 177.476 176.300 0.361 0.000 0.913 350 R CA 0.479 56.670 56.100 0.152 0.000 1.040 350 R CB -0.381 29.989 30.300 0.116 0.000 0.992 350 R HN 0.151 nan 8.270 nan 0.000 0.500 351 D N 1.083 121.681 120.400 0.331 0.000 2.336 351 D HA -0.013 4.627 4.640 -0.000 0.000 0.228 351 D C 0.916 177.383 176.300 0.278 0.000 1.120 351 D CA -0.098 54.085 54.000 0.305 0.000 0.839 351 D CB 0.070 41.032 40.800 0.270 0.000 0.932 351 D HN 0.439 nan 8.370 nan 0.000 0.509 352 W N 0.996 122.191 121.300 -0.175 0.000 2.409 352 W HA 0.016 4.676 4.660 -0.000 0.000 0.299 352 W C 1.603 177.920 176.519 -0.336 0.000 1.203 352 W CA 0.134 57.104 57.345 -0.625 0.000 1.298 352 W CB -1.198 27.942 29.460 -0.534 0.000 1.127 352 W HN -0.092 nan 8.180 nan 0.000 0.528 353 R N 0.618 120.839 120.500 -0.466 0.000 2.070 353 R HA -0.098 4.242 4.340 -0.000 0.000 0.233 353 R C 2.477 178.671 176.300 -0.177 0.000 1.137 353 R CA 1.667 57.492 56.100 -0.458 0.000 0.945 353 R CB -0.826 29.177 30.300 -0.494 0.000 0.845 353 R HN 0.137 nan 8.270 nan 0.000 0.430 354 R N 1.262 121.709 120.500 -0.088 0.000 2.200 354 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 354 R C 2.147 178.432 176.300 -0.025 0.000 1.127 354 R CA 1.633 57.709 56.100 -0.039 0.000 0.989 354 R CB -0.037 30.270 30.300 0.011 0.000 0.869 354 R HN 0.234 nan 8.270 nan 0.000 0.459 355 V N -2.708 117.184 119.914 -0.036 0.000 2.500 355 V HA -0.091 4.029 4.120 -0.000 0.000 0.243 355 V C 2.090 178.195 176.094 0.019 0.000 1.039 355 V CA 0.995 63.289 62.300 -0.010 0.000 1.053 355 V CB -1.217 30.600 31.823 -0.011 0.000 0.695 355 V HN 0.214 nan 8.190 nan 0.000 0.463 356 F N 1.080 120.887 119.950 -0.238 0.000 2.087 356 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 356 F C 2.159 177.843 175.800 -0.194 0.000 1.100 356 F CA 2.127 59.984 58.000 -0.238 0.000 1.226 356 F CB 0.058 38.889 39.000 -0.281 0.000 0.983 356 F HN 0.130 nan 8.300 nan 0.000 0.479 357 L N 0.414 121.587 121.223 -0.084 0.000 1.961 357 L HA -0.265 4.075 4.340 -0.000 0.000 0.209 357 L C 2.439 179.254 176.870 -0.092 0.000 1.075 357 L CA 1.726 56.455 54.840 -0.185 0.000 0.749 357 L CB -1.043 40.916 42.059 -0.166 0.000 0.890 357 L HN 0.021 nan 8.230 nan 0.000 0.433 358 K N -0.163 120.207 120.400 -0.050 0.000 2.163 358 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 358 K C 2.130 178.715 176.600 -0.025 0.000 1.048 358 K CA 1.803 58.074 56.287 -0.027 0.000 0.928 358 K CB 0.039 32.535 32.500 -0.006 0.000 0.716 358 K HN 0.183 nan 8.250 nan 0.000 0.459 359 E N 0.269 120.454 120.200 -0.025 0.000 2.076 359 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 359 E C 1.947 178.485 176.600 -0.103 0.000 0.979 359 E CA 1.061 57.431 56.400 -0.049 0.000 0.807 359 E CB -0.146 29.529 29.700 -0.041 0.000 0.761 359 E HN 0.392 nan 8.360 nan 0.000 0.454 360 M N -0.253 119.274 119.600 -0.123 0.000 2.192 360 M HA -0.201 4.279 4.480 -0.000 0.000 0.256 360 M C 2.110 178.445 176.300 0.058 0.000 1.076 360 M CA 1.854 57.097 55.300 -0.094 0.000 1.075 360 M CB -0.531 32.049 32.600 -0.034 0.000 1.368 360 M HN 0.139 nan 8.290 nan 0.000 0.406 361 G N -0.327 108.480 108.800 0.011 0.000 2.434 361 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 361 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 361 G C 1.377 176.298 174.900 0.036 0.000 1.202 361 G CA 0.939 46.058 45.100 0.031 0.000 0.788 361 G HN 0.370 nan 8.290 nan 0.000 0.539 362 V N 1.751 121.669 119.914 0.007 0.000 2.392 362 V HA -0.079 4.041 4.120 -0.000 0.000 0.249 362 V C 3.072 179.181 176.094 0.024 0.000 1.059 362 V CA 1.890 64.195 62.300 0.009 0.000 1.051 362 V CB -1.462 30.357 31.823 -0.007 0.000 0.658 362 V HN 0.406 nan 8.190 nan 0.000 0.455 363 G N 0.252 109.051 108.800 -0.001 0.000 2.511 363 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 363 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 363 G C 1.571 176.600 174.900 0.216 0.000 1.218 363 G CA 0.980 46.099 45.100 0.032 0.000 0.788 363 G HN 0.421 nan 8.290 nan 0.000 0.560 364 L N 0.414 121.850 121.223 0.355 0.000 2.275 364 L HA 0.156 4.496 4.340 -0.000 0.000 0.215 364 L C 2.514 179.464 176.870 0.134 0.000 1.119 364 L CA 1.091 56.095 54.840 0.273 0.000 0.790 364 L CB -0.439 41.756 42.059 0.226 0.000 0.919 364 L HN 0.269 nan 8.230 nan 0.000 0.443 365 L N -0.689 120.596 121.223 0.103 0.000 2.027 365 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 365 L C 2.577 179.478 176.870 0.051 0.000 1.074 365 L CA 1.162 56.036 54.840 0.057 0.000 0.745 365 L CB -0.037 42.045 42.059 0.038 0.000 0.898 365 L HN 0.265 nan 8.230 nan 0.000 0.433 366 L N -1.045 120.215 121.223 0.062 0.000 1.988 366 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 366 L C 2.639 179.552 176.870 0.073 0.000 1.071 366 L CA 1.311 56.184 54.840 0.056 0.000 0.744 366 L CB -1.406 40.685 42.059 0.053 0.000 0.893 366 L HN 0.324 nan 8.230 nan 0.000 0.433 367 G N 0.603 109.464 108.800 0.102 0.000 2.661 367 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.224 367 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.224 367 G C 1.556 176.510 174.900 0.090 0.000 1.114 367 G CA 1.468 46.633 45.100 0.109 0.000 0.751 367 G HN 0.277 nan 8.290 nan 0.000 0.609 368 L N 0.008 121.279 121.223 0.079 0.000 2.044 368 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 368 L C 3.204 180.123 176.870 0.081 0.000 1.075 368 L CA 1.592 56.475 54.840 0.073 0.000 0.747 368 L CB -1.212 40.877 42.059 0.050 0.000 0.903 368 L HN 0.161 nan 8.230 nan 0.000 0.435 369 T N 0.911 115.495 114.554 0.051 0.000 2.684 369 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 369 T C 2.010 176.770 174.700 0.101 0.000 1.036 369 T CA 1.425 63.544 62.100 0.033 0.000 1.148 369 T CB -0.399 68.474 68.868 0.008 0.000 0.863 369 T HN 0.169 nan 8.240 nan 0.000 0.436 370 L N 0.802 122.080 121.223 0.091 0.000 1.994 370 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 370 L C 2.963 179.900 176.870 0.112 0.000 1.071 370 L CA 1.286 56.184 54.840 0.096 0.000 0.745 370 L CB -0.830 41.272 42.059 0.072 0.000 0.892 370 L HN 0.283 nan 8.230 nan 0.000 0.431 371 S N 0.032 115.796 115.700 0.106 0.000 2.372 371 S HA -0.303 4.167 4.470 -0.000 0.000 0.227 371 S C 2.040 176.708 174.600 0.112 0.000 1.044 371 S CA 1.812 60.066 58.200 0.089 0.000 1.050 371 S CB -0.511 62.739 63.200 0.084 0.000 0.901 371 S HN 0.401 nan 8.310 nan 0.000 0.447 372 F N 1.664 121.615 119.950 0.003 0.000 2.120 372 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 372 F C 1.794 177.594 175.800 0.001 0.000 1.095 372 F CA 1.817 59.817 58.000 -0.001 0.000 1.249 372 F CB -0.311 38.687 39.000 -0.003 0.000 0.995 372 F HN 0.236 nan 8.300 nan 0.000 0.480 373 L N -0.729 120.632 121.223 0.230 0.000 1.988 373 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 373 L C 2.385 179.258 176.870 0.004 0.000 1.071 373 L CA 1.024 55.934 54.840 0.115 0.000 0.744 373 L CB -1.038 41.112 42.059 0.151 0.000 0.893 373 L HN 0.260 nan 8.230 nan 0.000 0.433 374 L N -0.079 121.151 121.223 0.011 0.000 1.955 374 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 374 L C 2.398 179.220 176.870 -0.079 0.000 1.072 374 L CA 1.884 56.704 54.840 -0.032 0.000 0.755 374 L CB -0.550 41.486 42.059 -0.039 0.000 0.888 374 L HN -0.015 nan 8.230 nan 0.000 0.432 375 V N 0.401 120.267 119.914 -0.080 0.000 2.568 375 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 375 V C 2.612 178.662 176.094 -0.073 0.000 1.072 375 V CA 1.513 63.763 62.300 -0.083 0.000 1.084 375 V CB -1.991 29.794 31.823 -0.065 0.000 0.676 375 V HN 0.671 nan 8.190 nan 0.000 0.469 376 G N 0.032 108.744 108.800 -0.146 0.000 2.432 376 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 376 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 376 G C 1.640 176.554 174.900 0.024 0.000 1.135 376 G CA 0.575 45.568 45.100 -0.178 0.000 0.767 376 G HN 0.450 nan 8.290 nan 0.000 0.550 377 K N 0.070 120.493 120.400 0.038 0.000 2.348 377 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 377 K C 2.285 178.968 176.600 0.138 0.000 1.052 377 K CA 0.078 56.450 56.287 0.143 0.000 1.004 377 K CB -0.166 32.410 32.500 0.127 0.000 0.873 377 K HN 0.237 nan 8.250 nan 0.000 0.523 378 V N 1.548 121.470 119.914 0.014 0.000 3.140 378 V HA -0.220 3.900 4.120 -0.000 0.000 0.269 378 V C 1.901 178.072 176.094 0.129 0.000 1.149 378 V CA 1.514 63.765 62.300 -0.081 0.000 1.162 378 V CB -0.877 30.775 31.823 -0.285 0.000 0.756 378 V HN 0.247 nan 8.190 nan 0.000 0.523 379 Y N -1.340 118.992 120.300 0.054 0.000 2.439 379 Y HA 0.038 4.588 4.550 -0.000 0.000 0.281 379 Y C 1.979 177.961 175.900 0.137 0.000 1.145 379 Y CA 0.281 58.430 58.100 0.082 0.000 1.252 379 Y CB -0.488 38.007 38.460 0.059 0.000 1.271 379 Y HN 0.203 nan 8.280 nan 0.000 0.516 380 W N 2.712 123.877 121.300 -0.225 0.000 2.424 380 W HA -0.133 4.527 4.660 0.000 0.000 0.264 380 W C 1.623 178.024 176.519 -0.197 0.000 1.229 380 W CA 1.890 59.042 57.345 -0.322 0.000 1.208 380 W CB -0.198 29.200 29.460 -0.103 0.000 1.127 380 W HN 0.210 nan 8.180 nan 0.000 0.588 381 D N -1.182 119.233 120.400 0.024 0.000 2.117 381 D HA -0.031 4.609 4.640 -0.000 0.000 0.198 381 D C 1.969 178.152 176.300 -0.194 0.000 0.982 381 D CA 2.199 56.198 54.000 -0.002 0.000 0.828 381 D CB -0.230 40.699 40.800 0.215 0.000 0.967 381 D HN 0.219 nan 8.370 nan 0.000 0.464 382 G N -0.941 107.710 108.800 -0.249 0.000 2.456 382 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.208 382 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.208 382 G C -0.083 174.546 174.900 -0.451 0.000 1.004 382 G CA -0.500 44.370 45.100 -0.384 0.000 0.791 382 G HN 0.258 nan 8.290 nan 0.000 0.537 383 H N 0.708 119.803 119.070 0.042 0.000 2.471 383 H HA 0.243 4.799 4.556 -0.000 0.000 0.234 383 H C -1.708 173.677 175.328 0.095 0.000 1.388 383 H CA -0.818 55.274 56.048 0.073 0.000 1.198 383 H CB 1.395 31.227 29.762 0.116 0.000 1.714 383 H HN 0.224 nan 8.280 nan 0.000 0.536 384 P HA -0.146 nan 4.420 nan 0.000 0.221 384 P C 0.837 178.241 177.300 0.173 0.000 1.145 384 P CA 0.327 63.592 63.100 0.274 0.000 0.795 384 P CB 0.599 32.510 31.700 0.352 0.000 0.775 385 L N -0.260 121.047 121.223 0.140 0.000 2.428 385 L HA -0.077 4.263 4.340 -0.000 0.000 0.266 385 L C 1.433 178.342 176.870 0.065 0.000 1.269 385 L CA 0.213 55.105 54.840 0.087 0.000 0.821 385 L CB -1.108 40.995 42.059 0.073 0.000 1.095 385 L HN -0.120 nan 8.230 nan 0.000 0.559 386 L N 1.691 122.931 121.223 0.028 0.000 4.983 386 L HA -0.235 4.105 4.340 -0.000 0.000 0.389 386 L C 0.935 177.814 176.870 0.015 0.000 1.252 386 L CA 0.062 54.906 54.840 0.007 0.000 0.889 386 L CB -0.557 41.489 42.059 -0.022 0.000 1.498 386 L HN 0.438 nan 8.230 nan 0.000 0.525 387 L N 5.364 126.601 121.223 0.024 0.000 2.592 387 L HA 0.137 4.477 4.340 -0.000 0.000 0.227 387 L C -0.438 176.434 176.870 0.003 0.000 1.127 387 L CA 0.520 55.372 54.840 0.021 0.000 0.884 387 L CB -0.517 41.562 42.059 0.033 0.000 1.065 387 L HN 0.283 nan 8.230 nan 0.000 0.457 388 P HA -0.060 nan 4.420 nan 0.000 0.220 388 P C 1.739 179.046 177.300 0.012 0.000 1.154 388 P CA 1.427 64.527 63.100 -0.000 0.000 0.830 388 P CB 0.034 31.730 31.700 -0.007 0.000 0.803 389 V N -1.191 118.724 119.914 0.002 0.000 2.317 389 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 389 V C 2.386 178.555 176.094 0.124 0.000 1.065 389 V CA 2.066 64.367 62.300 0.002 0.000 1.049 389 V CB -2.125 29.641 31.823 -0.096 0.000 0.651 389 V HN -0.090 nan 8.190 nan 0.000 0.450 390 V N 1.717 121.701 119.914 0.116 0.000 2.229 390 V HA -0.023 4.097 4.120 -0.000 0.000 0.243 390 V C 2.956 179.085 176.094 0.057 0.000 1.042 390 V CA 2.390 64.756 62.300 0.109 0.000 1.000 390 V CB -1.626 30.166 31.823 -0.050 0.000 0.637 390 V HN 0.622 nan 8.190 nan 0.000 0.446 391 G N -0.032 108.782 108.800 0.023 0.000 2.480 391 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 391 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 391 G C 1.702 176.626 174.900 0.041 0.000 1.200 391 G CA 1.319 46.433 45.100 0.023 0.000 0.782 391 G HN 0.330 nan 8.290 nan 0.000 0.554 392 V N 1.946 121.883 119.914 0.038 0.000 2.370 392 V HA -0.254 3.866 4.120 -0.000 0.000 0.252 392 V C 3.256 179.384 176.094 0.057 0.000 1.068 392 V CA 2.582 64.904 62.300 0.036 0.000 1.061 392 V CB -0.740 31.097 31.823 0.023 0.000 0.656 392 V HN 0.648 nan 8.190 nan 0.000 0.455 393 S N 0.182 115.938 115.700 0.093 0.000 2.341 393 S HA -0.116 4.354 4.470 -0.000 0.000 0.216 393 S C 1.941 176.597 174.600 0.095 0.000 1.034 393 S CA 1.128 59.402 58.200 0.123 0.000 0.964 393 S CB -0.730 62.627 63.200 0.262 0.000 0.882 393 S HN 0.340 nan 8.310 nan 0.000 0.469 394 L N 2.281 123.546 121.223 0.071 0.000 2.010 394 L HA -0.136 4.205 4.340 -0.000 0.000 0.219 394 L C 2.439 179.358 176.870 0.082 0.000 1.077 394 L CA 1.981 56.849 54.840 0.048 0.000 0.773 394 L CB -1.029 41.046 42.059 0.027 0.000 0.892 394 L HN 0.296 nan 8.230 nan 0.000 0.436 395 V N -0.675 119.290 119.914 0.085 0.000 2.270 395 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 395 V C 2.524 178.702 176.094 0.140 0.000 1.043 395 V CA 1.837 64.200 62.300 0.105 0.000 1.014 395 V CB -0.626 31.242 31.823 0.075 0.000 0.645 395 V HN 0.540 nan 8.190 nan 0.000 0.447 396 L N -0.796 120.490 121.223 0.105 0.000 2.351 396 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 396 L C 2.016 179.035 176.870 0.247 0.000 1.127 396 L CA 1.507 56.419 54.840 0.120 0.000 0.786 396 L CB -0.091 41.995 42.059 0.044 0.000 0.914 396 L HN 0.348 nan 8.230 nan 0.000 0.443 397 I N -2.351 118.345 120.570 0.210 0.000 2.499 397 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 397 I C 2.337 178.611 176.117 0.263 0.000 1.085 397 I CA 0.371 61.809 61.300 0.231 0.000 1.422 397 I CB -0.243 37.832 38.000 0.125 0.000 1.165 397 I HN -0.123 nan 8.210 nan 0.000 0.440 398 V N 1.710 121.739 119.914 0.191 0.000 2.277 398 V HA -0.385 3.735 4.120 -0.000 0.000 0.255 398 V C 2.295 178.510 176.094 0.202 0.000 1.074 398 V CA 2.609 65.004 62.300 0.158 0.000 1.058 398 V CB -0.915 30.987 31.823 0.131 0.000 0.656 398 V HN 0.426 nan 8.190 nan 0.000 0.449 399 F N 0.062 120.078 119.950 0.110 0.000 2.031 399 F HA -0.211 4.316 4.527 -0.000 0.000 0.295 399 F C 2.092 177.943 175.800 0.085 0.000 1.133 399 F CA 1.973 60.026 58.000 0.088 0.000 1.188 399 F CB -0.471 38.593 39.000 0.105 0.000 0.974 399 F HN 0.106 nan 8.300 nan 0.000 0.473 400 F N 0.593 120.843 119.950 0.500 0.000 2.373 400 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 400 F C 2.263 178.117 175.800 0.089 0.000 1.080 400 F CA 0.980 59.160 58.000 0.301 0.000 1.417 400 F CB -0.849 38.326 39.000 0.292 0.000 1.070 400 F HN 0.155 nan 8.300 nan 0.000 0.546 401 A N -0.153 122.788 122.820 0.201 0.000 1.844 401 A HA -0.150 4.170 4.320 -0.000 0.000 0.212 401 A C 1.976 179.567 177.584 0.011 0.000 1.221 401 A CA 1.482 53.581 52.037 0.102 0.000 0.607 401 A CB -1.044 18.012 19.000 0.094 0.000 0.878 401 A HN 0.345 nan 8.150 nan 0.000 0.451 402 N N -0.342 118.343 118.700 -0.026 0.000 2.258 402 N HA -0.112 4.628 4.740 -0.000 0.000 0.187 402 N C 1.280 176.710 175.510 -0.134 0.000 1.012 402 N CA 0.991 53.999 53.050 -0.070 0.000 0.870 402 N CB -0.103 38.335 38.487 -0.082 0.000 0.977 402 N HN 0.307 nan 8.380 nan 0.000 0.434 403 L N -0.080 121.002 121.223 -0.236 0.000 2.554 403 L HA 0.031 4.371 4.340 -0.000 0.000 0.226 403 L C 1.506 178.249 176.870 -0.212 0.000 1.137 403 L CA 0.566 55.231 54.840 -0.291 0.000 0.863 403 L CB -0.447 41.313 42.059 -0.498 0.000 0.985 403 L HN 0.152 nan 8.230 nan 0.000 0.451 404 V N -0.176 119.677 119.914 -0.102 0.000 2.391 404 V HA 0.039 4.159 4.120 -0.000 0.000 0.237 404 V C 2.561 178.643 176.094 -0.020 0.000 1.046 404 V CA 1.518 63.790 62.300 -0.046 0.000 1.053 404 V CB -0.907 30.930 31.823 0.022 0.000 0.704 404 V HN 0.437 nan 8.190 nan 0.000 0.475 405 G N -0.272 108.527 108.800 -0.002 0.000 2.479 405 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 405 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 405 G C 1.573 176.494 174.900 0.035 0.000 1.115 405 G CA 1.165 46.275 45.100 0.016 0.000 0.757 405 G HN 0.594 nan 8.290 nan 0.000 0.560 406 A N -0.192 122.639 122.820 0.019 0.000 1.975 406 A HA 0.322 4.642 4.320 -0.000 0.000 0.215 406 A C 2.146 179.829 177.584 0.165 0.000 1.170 406 A CA 1.015 53.098 52.037 0.076 0.000 0.656 406 A CB -0.065 18.936 19.000 0.002 0.000 0.821 406 A HN 0.304 nan 8.150 nan 0.000 0.449 407 M N -0.723 118.892 119.600 0.024 0.000 2.371 407 M HA 0.210 4.690 4.480 -0.000 0.000 0.246 407 M C 1.398 177.786 176.300 0.147 0.000 1.103 407 M CA 0.292 55.604 55.300 0.020 0.000 1.010 407 M CB 0.083 32.523 32.600 -0.267 0.000 1.457 407 M HN 0.380 nan 8.290 nan 0.000 0.486 408 L N 2.218 123.515 121.223 0.123 0.000 2.049 408 L HA 0.055 4.395 4.340 -0.000 0.000 0.203 408 L C -0.680 176.249 176.870 0.099 0.000 1.074 408 L CA 2.147 57.041 54.840 0.090 0.000 0.749 408 L CB -1.767 40.323 42.059 0.052 0.000 0.907 408 L HN 0.033 nan 8.230 nan 0.000 0.439 409 P HA -0.246 nan 4.420 nan 0.000 0.216 409 P C 1.738 178.983 177.300 -0.091 0.000 1.154 409 P CA 1.880 64.942 63.100 -0.062 0.000 0.865 409 P CB -0.257 31.339 31.700 -0.173 0.000 0.789 410 F N -0.284 119.653 119.950 -0.022 0.000 2.102 410 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 410 F C 2.588 178.351 175.800 -0.063 0.000 1.105 410 F CA 0.884 58.860 58.000 -0.040 0.000 1.239 410 F CB -1.849 37.152 39.000 0.001 0.000 0.991 410 F HN -0.174 nan 8.300 nan 0.000 0.474 411 L N 0.412 121.741 121.223 0.178 0.000 2.034 411 L HA -0.265 4.075 4.340 -0.000 0.000 0.217 411 L C 2.071 178.955 176.870 0.023 0.000 1.077 411 L CA 1.831 56.716 54.840 0.076 0.000 0.769 411 L CB -1.013 41.087 42.059 0.069 0.000 0.890 411 L HN 0.188 nan 8.230 nan 0.000 0.435 412 L N -1.167 120.065 121.223 0.014 0.000 2.056 412 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 412 L C 2.765 179.617 176.870 -0.030 0.000 1.078 412 L CA 1.509 56.344 54.840 -0.007 0.000 0.749 412 L CB -0.462 41.592 42.059 -0.008 0.000 0.901 412 L HN 0.295 nan 8.230 nan 0.000 0.433 413 R N 0.416 120.886 120.500 -0.050 0.000 2.152 413 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 413 R C 2.347 178.604 176.300 -0.072 0.000 1.117 413 R CA 1.141 57.199 56.100 -0.070 0.000 0.981 413 R CB -0.010 30.229 30.300 -0.102 0.000 0.870 413 R HN 0.301 nan 8.270 nan 0.000 0.451 414 R N -0.229 120.226 120.500 -0.074 0.000 2.189 414 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 414 R C 1.342 177.598 176.300 -0.073 0.000 1.092 414 R CA 0.861 56.897 56.100 -0.106 0.000 0.989 414 R CB 0.024 30.244 30.300 -0.133 0.000 0.876 414 R HN 0.283 nan 8.270 nan 0.000 0.457 415 L N -0.435 120.758 121.223 -0.049 0.000 2.808 415 L HA 0.332 4.672 4.340 -0.000 0.000 0.246 415 L C 0.361 177.211 176.870 -0.032 0.000 1.153 415 L CA -0.251 54.568 54.840 -0.035 0.000 0.956 415 L CB 0.781 42.827 42.059 -0.021 0.000 1.270 415 L HN 0.247 nan 8.230 nan 0.000 0.528 416 G N 1.558 110.334 108.800 -0.040 0.000 2.502 416 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.273 416 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.273 416 G C -0.621 174.262 174.900 -0.029 0.000 1.021 416 G CA -0.066 45.011 45.100 -0.038 0.000 1.333 416 G HN 0.098 nan 8.290 nan 0.000 0.508 417 V N 1.354 121.250 119.914 -0.031 0.000 2.789 417 V HA 0.276 4.396 4.120 -0.000 0.000 0.300 417 V C 0.078 176.154 176.094 -0.030 0.000 1.184 417 V CA -0.890 61.398 62.300 -0.019 0.000 0.930 417 V CB 2.053 33.875 31.823 -0.001 0.000 1.041 417 V HN 0.694 nan 8.190 nan 0.000 0.430 418 D N 7.461 127.844 120.400 -0.029 0.000 2.536 418 D HA 0.050 4.690 4.640 -0.000 0.000 0.260 418 D C -0.793 175.478 176.300 -0.048 0.000 1.270 418 D CA -0.545 53.429 54.000 -0.044 0.000 0.934 418 D CB 1.169 41.944 40.800 -0.041 0.000 1.129 418 D HN 0.349 nan 8.370 nan 0.000 0.533 419 P HA -0.289 nan 4.420 nan 0.000 0.218 419 P C 1.027 178.285 177.300 -0.071 0.000 1.146 419 P CA 1.078 64.132 63.100 -0.078 0.000 0.820 419 P CB 0.085 31.707 31.700 -0.131 0.000 0.778 420 A N -0.370 122.402 122.820 -0.079 0.000 2.084 420 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 420 A C 2.162 179.682 177.584 -0.107 0.000 1.161 420 A CA 1.187 53.170 52.037 -0.090 0.000 0.653 420 A CB -1.528 17.417 19.000 -0.091 0.000 0.802 420 A HN 0.124 nan 8.150 nan 0.000 0.457 421 L N -0.314 120.862 121.223 -0.077 0.000 2.127 421 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 421 L C 1.141 177.986 176.870 -0.042 0.000 1.089 421 L CA 1.196 55.996 54.840 -0.068 0.000 0.757 421 L CB -0.452 41.646 42.059 0.064 0.000 0.899 421 L HN 0.163 nan 8.230 nan 0.000 0.434 422 V N 0.973 120.881 119.914 -0.010 0.000 2.180 422 V HA 0.029 4.149 4.120 -0.000 0.000 0.238 422 V C 1.250 177.325 176.094 -0.031 0.000 1.337 422 V CA 0.228 62.538 62.300 0.016 0.000 1.338 422 V CB -1.572 30.257 31.823 0.009 0.000 1.431 422 V HN 0.504 nan 8.190 nan 0.000 0.498 423 S N 3.810 119.472 115.700 -0.064 0.000 2.700 423 S HA 0.061 4.531 4.470 -0.000 0.000 0.250 423 S C 1.169 175.746 174.600 -0.039 0.000 1.355 423 S CA 0.391 58.531 58.200 -0.099 0.000 0.970 423 S CB 0.333 63.441 63.200 -0.154 0.000 0.975 423 S HN 0.622 nan 8.310 nan 0.000 0.563 424 N N 1.214 119.890 118.700 -0.040 0.000 2.436 424 N HA 0.139 4.879 4.740 -0.000 0.000 0.178 424 N C -1.246 174.268 175.510 0.005 0.000 1.026 424 N CA 0.536 53.576 53.050 -0.016 0.000 0.880 424 N CB -1.859 36.614 38.487 -0.024 0.000 1.061 424 N HN 0.409 nan 8.380 nan 0.000 0.434 425 P HA -0.032 nan 4.420 nan 0.000 0.221 425 P C 1.662 179.002 177.300 0.066 0.000 1.150 425 P CA 0.428 63.549 63.100 0.035 0.000 0.800 425 P CB 0.118 31.840 31.700 0.037 0.000 0.787 426 L N -0.979 120.300 121.223 0.093 0.000 2.265 426 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 426 L C 1.894 178.810 176.870 0.076 0.000 1.117 426 L CA 1.741 56.658 54.840 0.128 0.000 0.782 426 L CB -0.949 41.220 42.059 0.184 0.000 0.914 426 L HN -0.158 nan 8.230 nan 0.000 0.441 427 V N -0.500 119.446 119.914 0.052 0.000 2.326 427 V HA -0.029 4.091 4.120 -0.000 0.000 0.238 427 V C 2.457 178.572 176.094 0.035 0.000 1.038 427 V CA 1.153 63.476 62.300 0.039 0.000 1.032 427 V CB -0.811 31.029 31.823 0.027 0.000 0.675 427 V HN 0.476 nan 8.190 nan 0.000 0.467 428 A N -0.734 122.103 122.820 0.029 0.000 2.285 428 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 428 A C 2.039 179.639 177.584 0.026 0.000 1.188 428 A CA 2.155 54.207 52.037 0.025 0.000 0.707 428 A CB -0.629 18.383 19.000 0.020 0.000 0.771 428 A HN 0.582 nan 8.150 nan 0.000 0.488 429 T N -1.197 113.376 114.554 0.032 0.000 3.205 429 T HA 0.167 4.517 4.350 -0.000 0.000 0.238 429 T C 1.593 176.309 174.700 0.027 0.000 0.974 429 T CA 0.449 62.566 62.100 0.029 0.000 1.246 429 T CB -0.221 68.668 68.868 0.035 0.000 1.007 429 T HN 0.285 nan 8.240 nan 0.000 0.414 430 L N 1.536 122.779 121.223 0.033 0.000 2.353 430 L HA 0.020 4.360 4.340 -0.000 0.000 0.220 430 L C 2.358 179.250 176.870 0.036 0.000 1.133 430 L CA 0.743 55.603 54.840 0.033 0.000 0.798 430 L CB -0.292 41.791 42.059 0.039 0.000 0.922 430 L HN 0.251 nan 8.230 nan 0.000 0.445 431 S N -1.259 114.462 115.700 0.036 0.000 2.593 431 S HA -0.062 4.408 4.470 -0.000 0.000 0.217 431 S C 1.340 175.957 174.600 0.028 0.000 0.966 431 S CA 0.326 58.550 58.200 0.040 0.000 0.914 431 S CB -0.010 63.212 63.200 0.037 0.000 0.776 431 S HN 0.374 nan 8.310 nan 0.000 0.523 432 D N 0.011 120.422 120.400 0.019 0.000 2.394 432 D HA 0.112 4.752 4.640 -0.000 0.000 0.226 432 D C 1.926 178.226 176.300 0.000 0.000 0.990 432 D CA 0.550 54.555 54.000 0.008 0.000 0.902 432 D CB 0.106 40.910 40.800 0.007 0.000 1.038 432 D HN 0.201 nan 8.370 nan 0.000 0.499 433 V N 1.664 121.580 119.914 0.004 0.000 2.220 433 V HA -0.257 3.863 4.120 -0.000 0.000 0.242 433 V C 2.863 178.950 176.094 -0.012 0.000 1.041 433 V CA 2.700 64.996 62.300 -0.007 0.000 0.990 433 V CB -1.332 30.492 31.823 0.003 0.000 0.634 433 V HN 0.322 nan 8.190 nan 0.000 0.452 434 T N -0.669 113.890 114.554 0.009 0.000 2.788 434 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 434 T C 1.959 176.665 174.700 0.010 0.000 1.044 434 T CA 1.631 63.738 62.100 0.012 0.000 1.139 434 T CB -1.099 67.799 68.868 0.051 0.000 0.867 434 T HN 0.554 nan 8.240 nan 0.000 0.454 435 G N 0.753 109.568 108.800 0.025 0.000 2.516 435 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.221 435 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.221 435 G C 1.454 176.361 174.900 0.011 0.000 1.107 435 G CA 0.668 45.784 45.100 0.025 0.000 0.747 435 G HN 0.522 nan 8.290 nan 0.000 0.567 436 L N -0.436 120.783 121.223 -0.005 0.000 2.185 436 L HA 0.194 4.534 4.340 -0.000 0.000 0.198 436 L C 2.794 179.647 176.870 -0.028 0.000 1.079 436 L CA 0.253 55.091 54.840 -0.005 0.000 0.780 436 L CB -0.370 41.663 42.059 -0.044 0.000 0.955 436 L HN 0.140 nan 8.230 nan 0.000 0.462 437 L N 0.034 121.198 121.223 -0.098 0.000 2.171 437 L HA -0.326 4.014 4.340 -0.000 0.000 0.216 437 L C 2.395 179.230 176.870 -0.058 0.000 1.084 437 L CA 1.529 56.282 54.840 -0.145 0.000 0.771 437 L CB -0.853 41.141 42.059 -0.109 0.000 0.890 437 L HN 0.346 nan 8.230 nan 0.000 0.437 438 I N -1.565 118.996 120.570 -0.015 0.000 2.233 438 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 438 I C 2.409 178.581 176.117 0.092 0.000 1.093 438 I CA 1.046 62.352 61.300 0.010 0.000 1.380 438 I CB -0.352 37.649 38.000 0.002 0.000 1.067 438 I HN 0.103 nan 8.210 nan 0.000 0.413 439 Y N 1.398 121.678 120.300 -0.034 0.000 2.716 439 Y HA -0.089 4.460 4.550 -0.000 0.000 0.302 439 Y C 1.849 177.744 175.900 -0.009 0.000 1.160 439 Y CA 0.999 59.090 58.100 -0.014 0.000 1.362 439 Y CB -0.144 38.313 38.460 -0.006 0.000 0.988 439 Y HN 0.103 nan 8.280 nan 0.000 0.546 440 L N -1.723 119.512 121.223 0.019 0.000 2.265 440 L HA -0.061 4.279 4.340 -0.000 0.000 0.195 440 L C 2.585 179.493 176.870 0.064 0.000 1.083 440 L CA 0.966 55.812 54.840 0.011 0.000 0.798 440 L CB -0.750 41.293 42.059 -0.027 0.000 0.989 440 L HN 0.138 nan 8.230 nan 0.000 0.472 441 S N -0.426 115.323 115.700 0.081 0.000 2.399 441 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 441 S C 1.538 176.144 174.600 0.010 0.000 1.022 441 S CA 0.834 59.073 58.200 0.065 0.000 0.983 441 S CB -0.631 62.599 63.200 0.050 0.000 0.803 441 S HN 0.156 nan 8.310 nan 0.000 0.480 442 V N 1.105 121.017 119.914 -0.004 0.000 3.611 442 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 442 V C 1.728 177.783 176.094 -0.065 0.000 1.247 442 V CA 0.888 63.178 62.300 -0.016 0.000 1.198 442 V CB -0.890 30.947 31.823 0.024 0.000 0.977 442 V HN 0.725 nan 8.190 nan 0.000 0.445 443 A N 0.579 123.344 122.820 -0.090 0.000 1.999 443 A HA 0.169 4.489 4.320 -0.000 0.000 0.190 443 A C 2.098 179.634 177.584 -0.079 0.000 1.737 443 A CA 0.488 52.441 52.037 -0.140 0.000 1.257 443 A CB 0.048 18.873 19.000 -0.292 0.000 1.401 443 A HN 0.437 nan 8.150 nan 0.000 0.430 444 R N 0.383 120.862 120.500 -0.034 0.000 2.052 444 R HA 0.193 4.533 4.340 -0.000 0.000 0.226 444 R C 0.256 176.542 176.300 -0.023 0.000 1.145 444 R CA 1.282 57.373 56.100 -0.015 0.000 0.952 444 R CB -0.546 29.766 30.300 0.021 0.000 0.847 444 R HN 0.298 nan 8.270 nan 0.000 0.431 445 L N 2.331 123.544 121.223 -0.017 0.000 2.873 445 L HA 0.262 4.602 4.340 -0.000 0.000 0.236 445 L C 0.202 177.058 176.870 -0.023 0.000 1.375 445 L CA -0.194 54.635 54.840 -0.019 0.000 1.239 445 L CB 0.622 42.672 42.059 -0.014 0.000 1.603 445 L HN 0.411 nan 8.230 nan 0.000 0.430 446 L N 1.185 122.391 121.223 -0.029 0.000 3.616 446 L HA 0.173 4.513 4.340 -0.000 0.000 0.363 446 L C -0.273 176.576 176.870 -0.034 0.000 1.344 446 L CA 0.463 55.284 54.840 -0.031 0.000 0.997 446 L CB 0.792 42.827 42.059 -0.040 0.000 1.365 446 L HN 0.425 nan 8.230 nan 0.000 0.607 447 L N -1.135 120.070 121.223 -0.031 0.000 3.888 447 L HA 0.426 4.766 4.340 -0.000 0.000 0.369 447 L C 0.116 176.972 176.870 -0.024 0.000 1.200 447 L CA 0.243 55.065 54.840 -0.030 0.000 1.268 447 L CB 0.578 42.616 42.059 -0.036 0.000 1.573 447 L HN 0.129 nan 8.230 nan 0.000 0.632 448 E N 0.000 120.186 120.200 -0.023 0.000 2.725 448 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 448 E CA 0.000 56.387 56.400 -0.021 0.000 0.976 448 E CB 0.000 29.686 29.700 -0.024 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440