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 1uag_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVCVV NADDALTMPI XXXXXRCVSF GVNMGDYHLN XXXXETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELG 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.316 177.584 -0.447 0.000 1.274 1 A CA 0.000 51.882 52.037 -0.259 0.000 0.836 1 A CB 0.000 18.818 19.000 -0.304 0.000 0.831 2 D N -0.724 119.380 120.400 -0.494 0.000 2.391 2 D HA 0.675 5.319 4.640 0.008 0.000 0.245 2 D C -0.718 175.318 176.300 -0.439 0.000 1.069 2 D CA -0.051 53.713 54.000 -0.394 0.000 0.831 2 D CB 0.831 41.530 40.800 -0.169 0.000 1.204 2 D HN 0.362 nan 8.370 nan 0.000 0.503 3 Y N 1.017 121.371 120.300 0.090 0.000 2.481 3 Y HA 0.234 4.789 4.550 0.008 0.000 0.247 3 Y C 0.988 176.937 175.900 0.081 0.000 1.151 3 Y CA -0.394 57.790 58.100 0.139 0.000 1.238 3 Y CB 0.148 38.799 38.460 0.318 0.000 1.179 3 Y HN 0.341 nan 8.280 nan 0.000 0.524 4 Q N 0.865 120.742 119.800 0.128 0.000 2.300 4 Q HA 0.207 4.551 4.340 0.008 0.000 0.280 4 Q C 1.115 177.149 176.000 0.057 0.000 1.033 4 Q CA 1.246 57.098 55.803 0.081 0.000 0.903 4 Q CB 0.682 29.441 28.738 0.034 0.000 1.195 4 Q HN 0.771 nan 8.270 nan 0.000 0.386 5 G N 3.609 112.435 108.800 0.044 0.000 2.162 5 G HA2 -0.269 3.696 3.960 0.008 0.000 0.260 5 G HA3 -0.269 3.696 3.960 0.008 0.000 0.260 5 G C -0.029 174.880 174.900 0.015 0.000 0.976 5 G CA 0.323 45.434 45.100 0.019 0.000 0.655 5 G HN 0.525 nan 8.290 nan 0.000 0.533 6 K N 0.283 120.705 120.400 0.037 0.000 2.118 6 K HA 0.275 4.599 4.320 0.008 0.000 0.267 6 K C -0.176 176.399 176.600 -0.042 0.000 0.991 6 K CA -0.812 55.487 56.287 0.020 0.000 0.916 6 K CB 0.740 33.291 32.500 0.085 0.000 1.041 6 K HN 0.102 nan 8.250 nan 0.000 0.455 7 N N 2.830 121.492 118.700 -0.064 0.000 2.415 7 N HA 0.055 4.800 4.740 0.008 0.000 0.250 7 N C -1.252 174.165 175.510 -0.155 0.000 1.127 7 N CA -0.082 52.899 53.050 -0.114 0.000 0.945 7 N CB 0.344 38.773 38.487 -0.096 0.000 1.196 7 N HN 0.180 nan 8.380 nan 0.000 0.499 8 V N 3.892 123.660 119.914 -0.244 0.000 2.398 8 V HA 0.369 4.494 4.120 0.008 0.000 0.286 8 V C 0.098 176.007 176.094 -0.309 0.000 1.026 8 V CA -0.777 61.306 62.300 -0.361 0.000 0.868 8 V CB 1.657 33.025 31.823 -0.759 0.000 0.982 8 V HN 0.262 nan 8.190 nan 0.000 0.443 9 V N 6.702 126.487 119.914 -0.215 0.000 2.448 9 V HA 0.513 4.637 4.120 0.008 0.000 0.295 9 V C -0.206 175.839 176.094 -0.082 0.000 1.025 9 V CA -0.428 61.805 62.300 -0.111 0.000 0.859 9 V CB 1.873 33.684 31.823 -0.021 0.000 0.988 9 V HN 0.679 nan 8.190 nan 0.000 0.431 10 I N 5.760 126.310 120.570 -0.034 0.000 2.354 10 I HA 0.473 4.647 4.170 0.008 0.000 0.292 10 I C -0.418 175.720 176.117 0.035 0.000 0.989 10 I CA -0.357 60.946 61.300 0.006 0.000 1.188 10 I CB 1.635 39.657 38.000 0.037 0.000 1.342 10 I HN 0.420 nan 8.210 nan 0.000 0.457 11 I N 5.551 126.130 120.570 0.014 0.000 2.321 11 I HA 0.629 4.804 4.170 0.008 0.000 0.291 11 I C 0.381 176.500 176.117 0.004 0.000 0.998 11 I CA -0.323 60.979 61.300 0.003 0.000 1.227 11 I CB 1.346 39.323 38.000 -0.038 0.000 1.368 11 I HN 0.809 nan 8.210 nan 0.000 0.466 12 G N 5.876 114.685 108.800 0.014 0.000 3.400 12 G HA2 -0.078 3.886 3.960 0.008 0.000 0.679 12 G HA3 -0.078 3.886 3.960 0.008 0.000 0.679 12 G C -0.926 173.992 174.900 0.031 0.000 1.239 12 G CA -0.956 44.152 45.100 0.014 0.000 1.049 12 G HN 0.559 nan 8.290 nan 0.000 0.539 13 L N 2.889 124.130 121.223 0.030 0.000 3.048 13 L HA 0.491 4.836 4.340 0.008 0.000 0.234 13 L C 1.404 178.292 176.870 0.029 0.000 1.318 13 L CA 0.355 55.216 54.840 0.036 0.000 1.109 13 L CB -0.016 42.065 42.059 0.038 0.000 1.480 13 L HN 0.780 nan 8.230 nan 0.000 0.495 14 G N -0.840 107.977 108.800 0.028 0.000 2.940 14 G HA2 0.288 4.252 3.960 0.008 0.000 0.164 14 G HA3 0.288 4.252 3.960 0.008 0.000 0.164 14 G C 0.846 175.763 174.900 0.028 0.000 1.326 14 G CA -0.498 44.618 45.100 0.027 0.000 1.020 14 G HN 0.106 nan 8.290 nan 0.000 0.586 15 L N -0.231 121.007 121.223 0.026 0.000 2.017 15 L HA -0.087 4.258 4.340 0.008 0.000 0.208 15 L C 3.206 180.090 176.870 0.023 0.000 1.073 15 L CA 1.752 56.606 54.840 0.024 0.000 0.745 15 L CB -0.841 41.231 42.059 0.021 0.000 0.894 15 L HN 0.454 nan 8.230 nan 0.000 0.432 16 T N -0.200 114.366 114.554 0.020 0.000 2.708 16 T HA -0.131 4.223 4.350 0.008 0.000 0.266 16 T C 1.869 176.581 174.700 0.021 0.000 1.037 16 T CA 1.407 63.514 62.100 0.012 0.000 1.146 16 T CB -0.681 68.193 68.868 0.010 0.000 0.865 16 T HN 0.553 nan 8.240 nan 0.000 0.435 17 G N 1.332 110.151 108.800 0.031 0.000 2.442 17 G HA2 -0.139 3.826 3.960 0.008 0.000 0.219 17 G HA3 -0.139 3.826 3.960 0.008 0.000 0.219 17 G C 1.497 176.434 174.900 0.062 0.000 1.141 17 G CA 0.548 45.676 45.100 0.047 0.000 0.763 17 G HN 0.445 nan 8.290 nan 0.000 0.554 18 L N 1.408 122.662 121.223 0.052 0.000 2.093 18 L HA -0.070 4.275 4.340 0.008 0.000 0.208 18 L C 3.282 180.191 176.870 0.065 0.000 1.085 18 L CA 1.416 56.291 54.840 0.058 0.000 0.755 18 L CB -0.416 41.670 42.059 0.046 0.000 0.904 18 L HN 0.428 nan 8.230 nan 0.000 0.435 19 S N -1.212 114.519 115.700 0.051 0.000 2.402 19 S HA -0.172 4.303 4.470 0.008 0.000 0.229 19 S C 2.052 176.693 174.600 0.068 0.000 1.021 19 S CA 1.045 59.276 58.200 0.052 0.000 0.974 19 S CB -0.860 62.354 63.200 0.024 0.000 0.800 19 S HN 0.438 nan 8.310 nan 0.000 0.484 20 C N 1.040 120.378 119.300 0.064 0.000 2.457 20 C HA 0.128 4.592 4.460 0.008 0.000 0.278 20 C C 2.758 177.914 174.990 0.278 0.000 1.309 20 C CA 0.389 59.473 59.018 0.110 0.000 1.735 20 C CB -1.367 26.453 27.740 0.133 0.000 1.992 20 C HN 0.523 nan 8.230 nan 0.000 0.493 21 V N 1.576 121.617 119.914 0.211 0.000 2.287 21 V HA -0.236 3.889 4.120 0.008 0.000 0.248 21 V C 2.116 178.321 176.094 0.185 0.000 1.053 21 V CA 2.336 64.760 62.300 0.206 0.000 1.027 21 V CB -0.655 31.242 31.823 0.123 0.000 0.646 21 V HN 0.489 nan 8.190 nan 0.000 0.447 22 D N -0.816 119.667 120.400 0.138 0.000 2.144 22 D HA -0.150 4.494 4.640 0.008 0.000 0.200 22 D C 1.858 178.215 176.300 0.096 0.000 0.978 22 D CA 1.108 55.169 54.000 0.102 0.000 0.833 22 D CB -0.339 40.510 40.800 0.082 0.000 0.961 22 D HN 0.450 nan 8.370 nan 0.000 0.470 23 F N 0.765 120.665 119.950 -0.084 0.000 2.065 23 F HA -0.270 4.261 4.527 0.008 0.000 0.298 23 F C 2.018 177.641 175.800 -0.294 0.000 1.112 23 F CA 1.508 59.370 58.000 -0.230 0.000 1.212 23 F CB -0.387 38.375 39.000 -0.396 0.000 0.975 23 F HN -0.162 nan 8.300 nan 0.000 0.476 24 F N 0.368 120.391 119.950 0.121 0.000 2.146 24 F HA -0.122 4.410 4.527 0.007 0.000 0.298 24 F C 2.226 177.990 175.800 -0.061 0.000 1.096 24 F CA 1.231 59.217 58.000 -0.022 0.000 1.275 24 F CB -0.964 38.059 39.000 0.038 0.000 1.008 24 F HN -0.051 nan 8.300 nan 0.000 0.480 25 L N -0.522 120.778 121.223 0.128 0.000 2.042 25 L HA -0.220 4.125 4.340 0.008 0.000 0.210 25 L C 2.603 179.473 176.870 -0.000 0.000 1.076 25 L CA 1.239 56.117 54.840 0.063 0.000 0.749 25 L CB -1.079 41.015 42.059 0.059 0.000 0.893 25 L HN 0.126 nan 8.230 nan 0.000 0.432 26 A N -0.232 122.557 122.820 -0.051 0.000 2.172 26 A HA -0.129 4.196 4.320 0.008 0.000 0.216 26 A C 2.105 179.618 177.584 -0.117 0.000 1.154 26 A CA 1.096 53.084 52.037 -0.083 0.000 0.701 26 A CB -0.375 18.562 19.000 -0.104 0.000 0.789 26 A HN 0.349 nan 8.150 nan 0.000 0.465 27 R N -1.497 118.919 120.500 -0.141 0.000 2.507 27 R HA 0.293 4.638 4.340 0.008 0.000 0.298 27 R C 0.966 177.259 176.300 -0.012 0.000 0.999 27 R CA 0.538 56.567 56.100 -0.117 0.000 1.082 27 R CB 0.187 30.361 30.300 -0.209 0.000 1.246 27 R HN 0.559 nan 8.270 nan 0.000 0.553 28 G N 0.585 109.386 108.800 0.002 0.000 2.176 28 G HA2 -0.236 3.728 3.960 0.008 0.000 0.252 28 G HA3 -0.236 3.728 3.960 0.008 0.000 0.252 28 G C -0.201 174.728 174.900 0.049 0.000 1.024 28 G CA 0.204 45.317 45.100 0.021 0.000 0.755 28 G HN 0.160 nan 8.290 nan 0.000 0.507 29 V N 0.560 120.527 119.914 0.087 0.000 2.483 29 V HA 0.577 4.702 4.120 0.008 0.000 0.297 29 V C 0.324 176.465 176.094 0.078 0.000 1.027 29 V CA -0.371 61.989 62.300 0.100 0.000 0.855 29 V CB 1.997 33.945 31.823 0.208 0.000 0.995 29 V HN 0.291 nan 8.190 nan 0.000 0.424 30 T N 7.599 122.157 114.554 0.007 0.000 2.727 30 T HA 0.410 4.765 4.350 0.008 0.000 0.298 30 T C -2.171 172.476 174.700 -0.088 0.000 0.942 30 T CA -0.768 61.320 62.100 -0.019 0.000 0.997 30 T CB 1.117 69.963 68.868 -0.036 0.000 0.917 30 T HN 0.533 nan 8.240 nan 0.000 0.487 31 P HA 0.460 nan 4.420 nan 0.000 0.280 31 P C -0.494 176.702 177.300 -0.174 0.000 1.272 31 P CA -0.947 62.038 63.100 -0.192 0.000 0.819 31 P CB 1.390 32.965 31.700 -0.208 0.000 1.122 32 R N -0.386 119.970 120.500 -0.240 0.000 2.668 32 R HA 0.694 5.038 4.340 0.008 0.000 0.279 32 R C -0.914 175.384 176.300 -0.004 0.000 0.976 32 R CA -1.115 54.832 56.100 -0.256 0.000 0.978 32 R CB 1.914 31.747 30.300 -0.778 0.000 1.133 32 R HN 0.273 nan 8.270 nan 0.000 0.484 33 V N 4.619 124.646 119.914 0.189 0.000 2.638 33 V HA 0.570 4.694 4.120 0.008 0.000 0.306 33 V C -0.757 175.523 176.094 0.309 0.000 1.052 33 V CA -0.640 61.783 62.300 0.204 0.000 0.885 33 V CB 1.860 33.758 31.823 0.126 0.000 0.999 33 V HN 0.782 nan 8.190 nan 0.000 0.424 34 M N 4.095 123.821 119.600 0.211 0.000 2.690 34 M HA 0.790 5.275 4.480 0.008 0.000 0.302 34 M C -1.677 174.669 176.300 0.077 0.000 1.234 34 M CA -0.591 54.804 55.300 0.159 0.000 0.853 34 M CB 2.571 35.227 32.600 0.093 0.000 1.748 34 M HN 0.561 nan 8.290 nan 0.000 0.469 35 D N 0.237 120.670 120.400 0.056 0.000 2.803 35 D HA 0.164 4.808 4.640 0.008 0.000 0.218 35 D C 0.049 176.350 176.300 0.002 0.000 1.245 35 D CA 0.058 54.066 54.000 0.014 0.000 0.821 35 D CB 2.577 43.386 40.800 0.015 0.000 1.626 35 D HN 0.901 nan 8.370 nan 0.000 0.487 36 T N 0.261 114.807 114.554 -0.014 0.000 3.055 36 T HA 0.098 4.452 4.350 0.008 0.000 0.265 36 T C 0.943 175.637 174.700 -0.009 0.000 1.111 36 T CA 0.338 62.434 62.100 -0.007 0.000 1.118 36 T CB 0.085 68.957 68.868 0.005 0.000 0.909 36 T HN 0.190 nan 8.240 nan 0.000 0.501 37 R N 0.530 121.024 120.500 -0.010 0.000 2.442 37 R HA 0.341 4.685 4.340 0.008 0.000 0.291 37 R C 1.218 177.503 176.300 -0.025 0.000 1.069 37 R CA -0.381 55.712 56.100 -0.011 0.000 1.022 37 R CB 0.504 30.802 30.300 -0.003 0.000 0.976 37 R HN 0.120 nan 8.270 nan 0.000 0.443 38 M N 1.557 121.139 119.600 -0.030 0.000 2.108 38 M HA -0.108 4.376 4.480 0.008 0.000 0.261 38 M C 0.234 176.512 176.300 -0.038 0.000 1.066 38 M CA 1.957 57.230 55.300 -0.044 0.000 1.107 38 M CB 0.447 33.025 32.600 -0.037 0.000 1.356 38 M HN 0.485 nan 8.290 nan 0.000 0.406 39 T N 2.454 116.994 114.554 -0.022 0.000 3.241 39 T HA 0.416 4.771 4.350 0.008 0.000 0.387 39 T C -2.517 172.180 174.700 -0.005 0.000 1.451 39 T CA -1.242 60.849 62.100 -0.015 0.000 1.363 39 T CB 0.540 69.401 68.868 -0.012 0.000 1.074 39 T HN 0.221 nan 8.240 nan 0.000 0.598 40 P HA 0.303 nan 4.420 nan 0.000 0.274 40 P C -2.249 175.057 177.300 0.011 0.000 1.246 40 P CA -1.455 61.649 63.100 0.006 0.000 0.795 40 P CB 0.936 32.642 31.700 0.010 0.000 1.006 41 P HA -0.058 nan 4.420 nan 0.000 0.218 41 P C 1.437 178.748 177.300 0.017 0.000 1.149 41 P CA 1.584 64.693 63.100 0.015 0.000 0.817 41 P CB -0.330 31.380 31.700 0.017 0.000 0.785 42 G N -0.778 108.035 108.800 0.021 0.000 2.920 42 G HA2 -0.076 3.889 3.960 0.008 0.000 0.208 42 G HA3 -0.076 3.889 3.960 0.008 0.000 0.208 42 G C 1.277 176.193 174.900 0.027 0.000 1.159 42 G CA -0.214 44.902 45.100 0.025 0.000 0.784 42 G HN 0.213 nan 8.290 nan 0.000 0.535 43 L N -0.054 121.182 121.223 0.022 0.000 2.046 43 L HA -0.089 4.255 4.340 0.008 0.000 0.208 43 L C 2.202 179.085 176.870 0.022 0.000 1.077 43 L CA 1.567 56.420 54.840 0.022 0.000 0.747 43 L CB -0.101 41.966 42.059 0.013 0.000 0.896 43 L HN 0.121 nan 8.230 nan 0.000 0.432 44 D N 0.044 120.455 120.400 0.018 0.000 2.178 44 D HA -0.162 4.482 4.640 0.008 0.000 0.201 44 D C 1.743 178.055 176.300 0.020 0.000 0.980 44 D CA 1.137 55.147 54.000 0.017 0.000 0.842 44 D CB 0.177 40.985 40.800 0.013 0.000 0.948 44 D HN 0.197 nan 8.370 nan 0.000 0.472 45 K N -0.478 119.936 120.400 0.023 0.000 2.374 45 K HA 0.180 4.504 4.320 0.008 0.000 0.196 45 K C 0.011 176.630 176.600 0.031 0.000 1.023 45 K CA -0.319 55.984 56.287 0.026 0.000 1.103 45 K CB 0.458 32.973 32.500 0.026 0.000 0.848 45 K HN 0.009 nan 8.250 nan 0.000 0.528 46 L N 3.251 124.494 121.223 0.034 0.000 2.410 46 L HA 0.180 4.524 4.340 0.008 0.000 0.273 46 L C -2.257 174.635 176.870 0.037 0.000 1.144 46 L CA -2.137 52.728 54.840 0.041 0.000 0.863 46 L CB -0.054 42.033 42.059 0.047 0.000 1.140 46 L HN 0.029 nan 8.230 nan 0.000 0.463 47 P HA -0.011 nan 4.420 nan 0.000 0.265 47 P C 0.025 177.344 177.300 0.031 0.000 1.187 47 P CA 0.124 63.243 63.100 0.032 0.000 0.766 47 P CB 0.540 32.261 31.700 0.034 0.000 0.820 48 E N 1.633 121.848 120.200 0.026 0.000 2.268 48 E HA -0.107 4.248 4.350 0.008 0.000 0.195 48 E C 1.730 178.345 176.600 0.025 0.000 0.995 48 E CA 0.983 57.398 56.400 0.026 0.000 0.836 48 E CB -0.110 29.602 29.700 0.021 0.000 0.763 48 E HN 0.534 nan 8.360 nan 0.000 0.491 49 A N 0.599 123.431 122.820 0.020 0.000 2.169 49 A HA 0.047 4.371 4.320 0.008 0.000 0.212 49 A C 0.908 178.498 177.584 0.010 0.000 1.153 49 A CA 0.084 52.129 52.037 0.013 0.000 0.756 49 A CB 0.381 19.386 19.000 0.009 0.000 0.813 49 A HN -0.004 nan 8.150 nan 0.000 0.471 50 V N 1.899 121.825 119.914 0.020 0.000 2.432 50 V HA 0.107 4.231 4.120 0.008 0.000 0.271 50 V C 0.134 176.250 176.094 0.037 0.000 1.046 50 V CA -0.599 61.710 62.300 0.017 0.000 0.945 50 V CB 0.870 32.713 31.823 0.034 0.000 0.992 50 V HN 0.488 nan 8.190 nan 0.000 0.471 51 E N 5.478 125.683 120.200 0.009 0.000 2.373 51 E HA 0.356 4.711 4.350 0.008 0.000 0.267 51 E C -0.021 176.716 176.600 0.230 0.000 1.032 51 E CA -0.330 56.124 56.400 0.089 0.000 0.889 51 E CB 0.723 30.390 29.700 -0.056 0.000 0.984 51 E HN 0.598 nan 8.360 nan 0.000 0.425 52 R N 2.209 122.933 120.500 0.372 0.000 2.740 52 R HA 0.461 4.805 4.340 0.008 0.000 0.273 52 R C -1.764 174.723 176.300 0.311 0.000 0.998 52 R CA -0.895 55.421 56.100 0.361 0.000 0.900 52 R CB 1.201 31.604 30.300 0.172 0.000 1.223 52 R HN 0.733 nan 8.270 nan 0.000 0.466 53 H N 0.519 119.619 119.070 0.051 0.000 3.018 53 H HA 0.449 5.010 4.556 0.008 0.000 0.334 53 H C -1.331 173.920 175.328 -0.128 0.000 0.983 53 H CA -0.069 55.855 56.048 -0.206 0.000 1.363 53 H CB 1.520 30.860 29.762 -0.703 0.000 1.668 53 H HN 0.986 nan 8.280 nan 0.000 0.513 54 T N 1.408 115.735 114.554 -0.378 0.000 2.930 54 T HA 0.566 4.921 4.350 0.008 0.000 0.290 54 T C 0.994 175.537 174.700 -0.262 0.000 1.052 54 T CA -0.329 61.652 62.100 -0.199 0.000 1.017 54 T CB 1.681 70.484 68.868 -0.108 0.000 1.137 54 T HN 1.143 nan 8.240 nan 0.000 0.511 55 G N 0.457 109.182 108.800 -0.124 0.000 2.195 55 G HA2 0.018 3.982 3.960 0.008 0.000 0.246 55 G HA3 0.018 3.982 3.960 0.008 0.000 0.246 55 G C 0.219 175.091 174.900 -0.047 0.000 0.984 55 G CA 0.527 45.571 45.100 -0.095 0.000 0.633 55 G HN 2.248 nan 8.290 nan 0.000 0.525 56 S N -1.537 114.159 115.700 -0.006 0.000 2.645 56 S HA 0.632 5.106 4.470 0.008 0.000 0.268 56 S C -0.746 173.907 174.600 0.088 0.000 1.110 56 S CA -0.922 57.315 58.200 0.061 0.000 0.823 56 S CB 1.268 64.524 63.200 0.094 0.000 1.091 56 S HN 0.849 nan 8.310 nan 0.000 0.466 57 L N 1.973 123.176 121.223 -0.033 0.000 2.395 57 L HA 0.478 4.823 4.340 0.008 0.000 0.269 57 L C 0.136 176.835 176.870 -0.285 0.000 1.133 57 L CA -0.699 54.046 54.840 -0.159 0.000 0.812 57 L CB 0.609 42.504 42.059 -0.274 0.000 1.125 57 L HN 0.760 nan 8.230 nan 0.000 0.452 58 N N 1.900 120.259 118.700 -0.568 0.000 2.485 58 N HA 0.059 4.804 4.740 0.008 0.000 0.243 58 N C 0.212 175.511 175.510 -0.352 0.000 0.987 58 N CA -0.273 52.303 53.050 -0.789 0.000 0.940 58 N CB 1.128 38.630 38.487 -1.642 0.000 1.122 58 N HN 0.488 nan 8.380 nan 0.000 0.509 59 D N 2.561 122.834 120.400 -0.211 0.000 2.219 59 D HA -0.128 4.517 4.640 0.008 0.000 0.205 59 D C 0.902 177.181 176.300 -0.035 0.000 0.970 59 D CA 1.169 55.117 54.000 -0.087 0.000 0.851 59 D CB 0.510 41.280 40.800 -0.051 0.000 0.943 59 D HN 0.704 nan 8.370 nan 0.000 0.488 60 E N -0.139 120.032 120.200 -0.049 0.000 2.110 60 E HA -0.163 4.191 4.350 0.008 0.000 0.193 60 E C 2.000 178.718 176.600 0.196 0.000 0.988 60 E CA 0.654 57.089 56.400 0.057 0.000 0.804 60 E CB -0.089 29.651 29.700 0.066 0.000 0.745 60 E HN 0.349 nan 8.360 nan 0.000 0.458 61 W N 1.038 122.271 121.300 -0.112 0.000 2.409 61 W HA -0.000 4.664 4.660 0.007 0.000 0.299 61 W C 2.060 178.525 176.519 -0.091 0.000 1.203 61 W CA 0.388 57.671 57.345 -0.104 0.000 1.298 61 W CB -0.940 28.440 29.460 -0.134 0.000 1.127 61 W HN 0.045 nan 8.180 nan 0.000 0.528 62 L N -0.443 120.857 121.223 0.129 0.000 2.017 62 L HA -0.246 4.099 4.340 0.008 0.000 0.208 62 L C 2.319 179.209 176.870 0.033 0.000 1.073 62 L CA 1.026 55.895 54.840 0.049 0.000 0.745 62 L CB -0.846 41.213 42.059 0.001 0.000 0.894 62 L HN -0.111 nan 8.230 nan 0.000 0.432 63 M N -0.719 118.901 119.600 0.033 0.000 2.557 63 M HA -0.040 4.445 4.480 0.008 0.000 0.259 63 M C 2.087 178.401 176.300 0.023 0.000 1.086 63 M CA 1.011 56.325 55.300 0.024 0.000 1.096 63 M CB -1.188 31.424 32.600 0.020 0.000 1.424 63 M HN 0.237 nan 8.290 nan 0.000 0.488 64 A N -0.275 122.565 122.820 0.032 0.000 2.195 64 A HA 0.513 4.837 4.320 0.008 0.000 0.210 64 A C 1.218 178.794 177.584 -0.012 0.000 1.165 64 A CA 0.301 52.346 52.037 0.012 0.000 0.806 64 A CB -0.285 18.726 19.000 0.017 0.000 0.847 64 A HN 0.342 nan 8.150 nan 0.000 0.482 65 A N 0.197 123.011 122.820 -0.010 0.000 2.371 65 A HA 0.415 4.739 4.320 0.008 0.000 0.257 65 A C 0.404 177.974 177.584 -0.022 0.000 1.089 65 A CA -0.083 51.935 52.037 -0.032 0.000 0.794 65 A CB 0.270 19.253 19.000 -0.028 0.000 1.029 65 A HN 0.277 nan 8.150 nan 0.000 0.488 66 D N 0.077 120.460 120.400 -0.030 0.000 2.249 66 D HA 0.085 4.729 4.640 0.008 0.000 0.205 66 D C 0.115 176.420 176.300 0.007 0.000 0.962 66 D CA 0.994 54.990 54.000 -0.006 0.000 0.860 66 D CB 0.275 41.076 40.800 0.002 0.000 0.955 66 D HN 0.330 nan 8.370 nan 0.000 0.505 67 L N 0.987 122.199 121.223 -0.019 0.000 2.526 67 L HA 0.378 4.723 4.340 0.008 0.000 0.263 67 L C -1.641 175.197 176.870 -0.054 0.000 0.943 67 L CA -0.455 54.380 54.840 -0.010 0.000 0.859 67 L CB 2.413 44.480 42.059 0.013 0.000 1.313 67 L HN -0.260 nan 8.230 nan 0.000 0.406 68 I N 4.804 125.359 120.570 -0.024 0.000 2.362 68 I HA 0.352 4.527 4.170 0.008 0.000 0.289 68 I C -0.353 175.754 176.117 -0.017 0.000 0.994 68 I CA -0.790 60.492 61.300 -0.030 0.000 1.158 68 I CB 2.046 40.038 38.000 -0.013 0.000 1.315 68 I HN 0.204 nan 8.210 nan 0.000 0.451 69 V N 6.178 126.077 119.914 -0.025 0.000 2.311 69 V HA 0.500 4.624 4.120 0.008 0.000 0.275 69 V C 0.436 176.533 176.094 0.004 0.000 1.022 69 V CA -0.545 61.760 62.300 0.008 0.000 0.830 69 V CB 1.159 33.013 31.823 0.053 0.000 1.012 69 V HN 0.805 nan 8.190 nan 0.000 0.452 70 A N 4.027 126.847 122.820 0.000 0.000 2.260 70 A HA 0.670 4.994 4.320 0.008 0.000 0.308 70 A C 0.522 178.101 177.584 -0.008 0.000 1.254 70 A CA -0.264 51.766 52.037 -0.012 0.000 0.874 70 A CB 0.542 19.532 19.000 -0.018 0.000 1.153 70 A HN 0.687 nan 8.150 nan 0.000 0.527 71 S N 3.563 119.257 115.700 -0.011 0.000 2.576 71 S HA 0.194 4.668 4.470 0.008 0.000 0.272 71 S C -1.123 173.467 174.600 -0.017 0.000 1.352 71 S CA -0.389 57.807 58.200 -0.005 0.000 1.021 71 S CB 0.461 63.660 63.200 -0.002 0.000 0.887 71 S HN 0.721 nan 8.310 nan 0.000 0.542 72 P HA -0.022 nan 4.420 nan 0.000 0.225 72 P C 1.099 178.328 177.300 -0.118 0.000 1.148 72 P CA 0.829 63.949 63.100 0.034 0.000 0.779 72 P CB -0.197 31.601 31.700 0.163 0.000 0.780 73 G N -0.634 108.111 108.800 -0.092 0.000 2.920 73 G HA2 0.059 4.023 3.960 0.008 0.000 0.208 73 G HA3 0.059 4.023 3.960 0.008 0.000 0.208 73 G C 0.420 175.199 174.900 -0.202 0.000 1.159 73 G CA 0.010 45.016 45.100 -0.157 0.000 0.784 73 G HN 0.274 nan 8.290 nan 0.000 0.535 74 I N 1.225 121.687 120.570 -0.180 0.000 2.404 74 I HA 0.670 4.845 4.170 0.008 0.000 0.293 74 I C 0.312 176.319 176.117 -0.183 0.000 0.992 74 I CA -1.172 60.039 61.300 -0.149 0.000 1.149 74 I CB 1.548 39.486 38.000 -0.104 0.000 1.315 74 I HN 0.023 nan 8.210 nan 0.000 0.446 75 A N 7.157 129.880 122.820 -0.163 0.000 2.450 75 A HA 0.281 4.606 4.320 0.008 0.000 0.255 75 A C 1.039 178.593 177.584 -0.050 0.000 1.096 75 A CA -0.162 51.777 52.037 -0.162 0.000 0.778 75 A CB 0.079 18.991 19.000 -0.147 0.000 1.031 75 A HN 0.956 nan 8.150 nan 0.000 0.494 76 L N 2.160 123.358 121.223 -0.042 0.000 2.191 76 L HA -0.207 4.138 4.340 0.008 0.000 0.212 76 L C 2.623 179.513 176.870 0.033 0.000 1.103 76 L CA 1.438 56.282 54.840 0.006 0.000 0.769 76 L CB -0.262 41.809 42.059 0.020 0.000 0.908 76 L HN 0.850 nan 8.230 nan 0.000 0.438 77 A N -1.949 120.886 122.820 0.024 0.000 2.235 77 A HA -0.116 4.208 4.320 0.008 0.000 0.208 77 A C 0.954 178.556 177.584 0.030 0.000 1.172 77 A CA -0.023 52.033 52.037 0.032 0.000 0.786 77 A CB -0.777 18.242 19.000 0.032 0.000 0.804 77 A HN 0.344 nan 8.150 nan 0.000 0.479 78 H N 1.268 120.315 119.070 -0.038 0.000 3.070 78 H HA 0.039 4.599 4.556 0.007 0.000 0.313 78 H C -1.562 173.753 175.328 -0.022 0.000 0.997 78 H CA -1.207 54.819 56.048 -0.037 0.000 1.438 78 H CB 1.064 30.797 29.762 -0.047 0.000 1.455 78 H HN 0.101 nan 8.280 nan 0.000 0.575 79 P HA -0.132 nan 4.420 nan 0.000 0.218 79 P C 1.498 178.884 177.300 0.143 0.000 1.148 79 P CA 1.088 64.200 63.100 0.020 0.000 0.822 79 P CB 0.292 31.949 31.700 -0.072 0.000 0.784 80 S N -0.600 115.314 115.700 0.356 0.000 2.402 80 S HA -0.093 4.381 4.470 0.008 0.000 0.229 80 S C 1.769 176.422 174.600 0.088 0.000 1.021 80 S CA 0.779 59.086 58.200 0.178 0.000 0.974 80 S CB -0.772 62.485 63.200 0.095 0.000 0.800 80 S HN 0.053 nan 8.310 nan 0.000 0.484 81 L N 1.743 123.033 121.223 0.113 0.000 2.209 81 L HA 0.093 4.438 4.340 0.008 0.000 0.207 81 L C 2.357 179.255 176.870 0.047 0.000 1.094 81 L CA 1.422 56.288 54.840 0.042 0.000 0.790 81 L CB -0.917 41.157 42.059 0.025 0.000 0.932 81 L HN 0.359 nan 8.230 nan 0.000 0.447 82 S N -0.753 114.985 115.700 0.063 0.000 2.402 82 S HA -0.100 4.374 4.470 0.008 0.000 0.229 82 S C 2.143 176.764 174.600 0.034 0.000 1.021 82 S CA 0.764 58.990 58.200 0.043 0.000 0.974 82 S CB -0.825 62.399 63.200 0.041 0.000 0.800 82 S HN 0.395 nan 8.310 nan 0.000 0.484 83 A N 2.470 125.313 122.820 0.038 0.000 1.883 83 A HA 0.176 4.501 4.320 0.008 0.000 0.217 83 A C 2.574 180.172 177.584 0.022 0.000 1.186 83 A CA 2.009 54.063 52.037 0.027 0.000 0.624 83 A CB -1.569 17.448 19.000 0.028 0.000 0.822 83 A HN 0.852 nan 8.150 nan 0.000 0.444 84 A N -0.285 122.548 122.820 0.021 0.000 1.902 84 A HA 0.163 4.487 4.320 0.008 0.000 0.217 84 A C 2.523 180.117 177.584 0.017 0.000 1.181 84 A CA 2.164 54.211 52.037 0.016 0.000 0.623 84 A CB -1.069 17.938 19.000 0.011 0.000 0.818 84 A HN 1.124 nan 8.150 nan 0.000 0.443 85 A N 0.101 122.932 122.820 0.019 0.000 1.908 85 A HA -0.206 4.119 4.320 0.008 0.000 0.218 85 A C 1.723 179.318 177.584 0.018 0.000 1.181 85 A CA 1.919 53.968 52.037 0.020 0.000 0.627 85 A CB -0.605 18.408 19.000 0.022 0.000 0.818 85 A HN 0.467 nan 8.150 nan 0.000 0.445 86 D N 0.037 120.448 120.400 0.018 0.000 2.218 86 D HA -0.012 4.632 4.640 0.008 0.000 0.204 86 D C 1.860 178.168 176.300 0.014 0.000 0.976 86 D CA 1.332 55.341 54.000 0.015 0.000 0.853 86 D CB -0.293 40.516 40.800 0.016 0.000 0.939 86 D HN 0.455 nan 8.370 nan 0.000 0.481 87 A N -0.233 122.596 122.820 0.014 0.000 2.238 87 A HA 0.390 4.714 4.320 0.008 0.000 0.208 87 A C 1.713 179.305 177.584 0.013 0.000 1.177 87 A CA 0.961 53.006 52.037 0.013 0.000 0.804 87 A CB -0.295 18.712 19.000 0.012 0.000 0.823 87 A HN 0.232 nan 8.150 nan 0.000 0.482 88 G N -0.802 108.006 108.800 0.014 0.000 2.136 88 G HA2 -0.225 3.740 3.960 0.008 0.000 0.242 88 G HA3 -0.225 3.740 3.960 0.008 0.000 0.242 88 G C 0.040 174.950 174.900 0.017 0.000 0.989 88 G CA 0.257 45.367 45.100 0.015 0.000 0.682 88 G HN 0.485 nan 8.290 nan 0.000 0.522 89 I N 1.064 121.644 120.570 0.017 0.000 2.371 89 I HA 0.249 4.423 4.170 0.008 0.000 0.290 89 I C 0.923 177.052 176.117 0.021 0.000 1.028 89 I CA -0.491 60.819 61.300 0.017 0.000 1.345 89 I CB 1.197 39.205 38.000 0.012 0.000 1.407 89 I HN 0.284 nan 8.210 nan 0.000 0.501 90 E N 7.167 127.384 120.200 0.028 0.000 2.376 90 E HA 0.251 4.605 4.350 0.008 0.000 0.266 90 E C -1.060 175.560 176.600 0.034 0.000 1.009 90 E CA -0.055 56.367 56.400 0.037 0.000 0.902 90 E CB 0.674 30.406 29.700 0.054 0.000 0.972 90 E HN 0.445 nan 8.360 nan 0.000 0.439 91 I N 5.859 126.449 120.570 0.035 0.000 2.478 91 I HA 0.259 4.434 4.170 0.008 0.000 0.287 91 I C -0.475 175.664 176.117 0.037 0.000 1.042 91 I CA -0.868 60.449 61.300 0.028 0.000 1.067 91 I CB 1.617 39.630 38.000 0.020 0.000 1.233 91 I HN 0.365 nan 8.210 nan 0.000 0.431 92 V N 2.379 122.316 119.914 0.039 0.000 3.126 92 V HA 1.022 5.146 4.120 0.008 0.000 0.314 92 V C 0.018 176.128 176.094 0.027 0.000 1.138 92 V CA -0.439 61.887 62.300 0.043 0.000 1.034 92 V CB 1.550 33.412 31.823 0.065 0.000 1.075 92 V HN 0.700 nan 8.190 nan 0.000 0.442 93 G N 0.026 108.838 108.800 0.021 0.000 2.887 93 G HA2 0.453 4.418 3.960 0.008 0.000 0.277 93 G HA3 0.453 4.418 3.960 0.008 0.000 0.277 93 G C 0.243 175.128 174.900 -0.025 0.000 1.346 93 G CA 0.292 45.395 45.100 0.005 0.000 1.058 93 G HN 0.938 nan 8.290 nan 0.000 0.535 94 D N -0.841 119.531 120.400 -0.047 0.000 2.183 94 D HA -0.132 4.512 4.640 0.008 0.000 0.203 94 D C 2.059 178.314 176.300 -0.074 0.000 0.969 94 D CA 0.575 54.510 54.000 -0.108 0.000 0.842 94 D CB 0.007 40.746 40.800 -0.103 0.000 0.957 94 D HN 0.152 nan 8.370 nan 0.000 0.484 95 I N 1.194 121.745 120.570 -0.031 0.000 2.394 95 I HA -0.159 4.015 4.170 0.008 0.000 0.251 95 I C 2.422 178.582 176.117 0.072 0.000 1.136 95 I CA 0.907 62.212 61.300 0.008 0.000 1.425 95 I CB -1.077 36.915 38.000 -0.015 0.000 1.079 95 I HN 0.058 nan 8.210 nan 0.000 0.425 96 E N 1.596 121.816 120.200 0.034 0.000 2.072 96 E HA -0.157 4.198 4.350 0.008 0.000 0.191 96 E C 2.279 178.900 176.600 0.034 0.000 0.985 96 E CA 1.259 57.686 56.400 0.045 0.000 0.801 96 E CB -0.365 29.361 29.700 0.044 0.000 0.750 96 E HN 0.442 nan 8.360 nan 0.000 0.452 97 L N -0.309 120.893 121.223 -0.036 0.000 2.046 97 L HA -0.112 4.233 4.340 0.008 0.000 0.208 97 L C 2.382 179.184 176.870 -0.113 0.000 1.077 97 L CA 1.313 56.074 54.840 -0.132 0.000 0.747 97 L CB -0.540 41.204 42.059 -0.525 0.000 0.896 97 L HN 0.189 nan 8.230 nan 0.000 0.432 98 F N 0.324 120.143 119.950 -0.220 0.000 2.102 98 F HA -0.269 4.263 4.527 0.008 0.000 0.298 98 F C 2.560 178.290 175.800 -0.115 0.000 1.105 98 F CA 1.629 59.519 58.000 -0.184 0.000 1.239 98 F CB -0.488 38.385 39.000 -0.212 0.000 0.991 98 F HN 0.040 nan 8.300 nan 0.000 0.474 99 C N 0.916 120.207 119.300 -0.015 0.000 2.411 99 C HA -0.147 4.317 4.460 0.008 0.000 0.279 99 C C 2.724 177.657 174.990 -0.096 0.000 1.288 99 C CA 1.110 60.097 59.018 -0.052 0.000 1.764 99 C CB -1.461 26.318 27.740 0.066 0.000 1.974 99 C HN 0.449 nan 8.230 nan 0.000 0.498 100 R N 0.523 120.995 120.500 -0.047 0.000 2.148 100 R HA -0.066 4.278 4.340 0.008 0.000 0.227 100 R C 1.947 178.223 176.300 -0.040 0.000 1.103 100 R CA 0.919 57.015 56.100 -0.006 0.000 0.983 100 R CB -0.105 30.245 30.300 0.083 0.000 0.874 100 R HN 0.616 nan 8.270 nan 0.000 0.451 101 E N 0.254 120.386 120.200 -0.114 0.000 2.290 101 E HA 0.127 4.482 4.350 0.008 0.000 0.197 101 E C 0.373 176.838 176.600 -0.226 0.000 0.948 101 E CA 0.147 56.477 56.400 -0.115 0.000 0.895 101 E CB 0.250 29.927 29.700 -0.039 0.000 0.865 101 E HN 0.161 nan 8.360 nan 0.000 0.486 102 A N 2.013 124.555 122.820 -0.462 0.000 2.511 102 A HA 0.078 4.402 4.320 0.008 0.000 0.242 102 A C 0.560 178.097 177.584 -0.079 0.000 1.069 102 A CA 0.205 51.980 52.037 -0.436 0.000 0.763 102 A CB 0.279 18.781 19.000 -0.831 0.000 1.001 102 A HN -0.058 nan 8.150 nan 0.000 0.498 103 Q N 0.151 119.999 119.800 0.080 0.000 2.155 103 Q HA 0.478 4.822 4.340 0.008 0.000 0.273 103 Q C -0.375 175.684 176.000 0.099 0.000 0.857 103 Q CA 0.446 56.291 55.803 0.070 0.000 1.116 103 Q CB 0.654 29.416 28.738 0.040 0.000 1.209 103 Q HN 0.877 nan 8.270 nan 0.000 0.460 104 A N 0.702 123.627 122.820 0.176 0.000 2.566 104 A HA 0.816 5.141 4.320 0.008 0.000 0.292 104 A C -2.722 174.964 177.584 0.169 0.000 1.112 104 A CA -1.518 50.578 52.037 0.098 0.000 0.707 104 A CB 1.013 19.969 19.000 -0.074 0.000 1.302 104 A HN -0.046 nan 8.150 nan 0.000 0.409 105 P HA 0.355 nan 4.420 nan 0.000 0.267 105 P C -0.979 176.436 177.300 0.191 0.000 1.200 105 P CA 0.448 63.619 63.100 0.118 0.000 0.772 105 P CB 0.269 32.009 31.700 0.066 0.000 0.855 106 I N 1.737 122.418 120.570 0.184 0.000 2.436 106 I HA 0.241 4.415 4.170 0.008 0.000 0.289 106 I C -0.482 175.711 176.117 0.127 0.000 1.010 106 I CA -0.990 60.439 61.300 0.215 0.000 1.098 106 I CB 1.989 40.125 38.000 0.228 0.000 1.266 106 I HN -0.047 nan 8.210 nan 0.000 0.434 107 V N 5.694 125.670 119.914 0.103 0.000 2.370 107 V HA 0.651 4.775 4.120 0.008 0.000 0.279 107 V C 0.282 176.400 176.094 0.040 0.000 1.029 107 V CA -0.394 61.940 62.300 0.056 0.000 0.870 107 V CB 1.329 33.170 31.823 0.029 0.000 0.984 107 V HN 0.813 nan 8.190 nan 0.000 0.451 108 A N 6.626 129.463 122.820 0.028 0.000 2.318 108 A HA 0.917 5.242 4.320 0.008 0.000 0.317 108 A C -0.899 176.674 177.584 -0.019 0.000 1.159 108 A CA -0.464 51.575 52.037 0.002 0.000 0.799 108 A CB 0.765 19.769 19.000 0.006 0.000 1.194 108 A HN 0.751 nan 8.150 nan 0.000 0.479 109 I N 1.565 122.113 120.570 -0.037 0.000 2.478 109 I HA 0.525 4.700 4.170 0.008 0.000 0.287 109 I C 0.139 176.223 176.117 -0.056 0.000 1.042 109 I CA -0.014 61.259 61.300 -0.044 0.000 1.067 109 I CB 2.515 40.487 38.000 -0.046 0.000 1.233 109 I HN 0.649 nan 8.210 nan 0.000 0.431 110 T N 3.419 117.931 114.554 -0.070 0.000 2.838 110 T HA 0.961 5.316 4.350 0.008 0.000 0.292 110 T C -0.725 173.939 174.700 -0.060 0.000 1.113 110 T CA -0.379 61.675 62.100 -0.076 0.000 1.008 110 T CB 1.980 70.776 68.868 -0.119 0.000 1.259 110 T HN 0.986 nan 8.240 nan 0.000 0.520 111 G N 0.365 109.133 108.800 -0.053 0.000 2.347 111 G HA2 0.317 4.281 3.960 0.008 0.000 0.303 111 G HA3 0.317 4.281 3.960 0.008 0.000 0.303 111 G C 0.334 175.238 174.900 0.007 0.000 1.481 111 G CA 0.179 45.264 45.100 -0.026 0.000 0.914 111 G HN 0.611 nan 8.290 nan 0.000 0.638 112 S N -0.445 115.274 115.700 0.033 0.000 2.461 112 S HA 0.122 4.597 4.470 0.008 0.000 0.228 112 S C 0.743 175.355 174.600 0.019 0.000 1.005 112 S CA 1.239 59.482 58.200 0.072 0.000 0.942 112 S CB -0.091 63.173 63.200 0.106 0.000 0.776 112 S HN 0.720 nan 8.310 nan 0.000 0.514 113 N N -1.744 116.964 118.700 0.012 0.000 2.504 113 N HA 0.479 5.223 4.740 0.008 0.000 0.268 113 N C 0.117 175.638 175.510 0.018 0.000 1.184 113 N CA 0.564 53.611 53.050 -0.005 0.000 0.875 113 N CB 1.387 39.858 38.487 -0.028 0.000 1.630 113 N HN 0.091 nan 8.380 nan 0.000 0.486 114 G N 1.443 110.256 108.800 0.021 0.000 2.194 114 G HA2 -0.277 3.687 3.960 0.008 0.000 0.236 114 G HA3 -0.277 3.687 3.960 0.008 0.000 0.236 114 G C 0.963 175.863 174.900 0.001 0.000 0.987 114 G CA 0.594 45.714 45.100 0.033 0.000 0.635 114 G HN 0.564 nan 8.290 nan 0.000 0.520 115 K N 0.615 121.013 120.400 -0.004 0.000 2.001 115 K HA -0.091 4.233 4.320 0.008 0.000 0.214 115 K C 2.664 179.253 176.600 -0.018 0.000 1.050 115 K CA 1.949 58.226 56.287 -0.016 0.000 0.934 115 K CB -0.346 32.148 32.500 -0.010 0.000 0.718 115 K HN 0.407 nan 8.250 nan 0.000 0.443 116 S N 0.318 116.020 115.700 0.003 0.000 2.387 116 S HA -0.082 4.392 4.470 0.008 0.000 0.226 116 S C 2.018 176.620 174.600 0.003 0.000 1.026 116 S CA 1.440 59.653 58.200 0.020 0.000 0.972 116 S CB -0.254 62.984 63.200 0.065 0.000 0.814 116 S HN 0.338 nan 8.310 nan 0.000 0.477 117 T N 2.372 116.934 114.554 0.014 0.000 2.708 117 T HA -0.067 4.288 4.350 0.008 0.000 0.266 117 T C 1.961 176.561 174.700 -0.167 0.000 1.037 117 T CA 1.377 63.468 62.100 -0.015 0.000 1.146 117 T CB -0.457 68.448 68.868 0.061 0.000 0.865 117 T HN 0.200 nan 8.240 nan 0.000 0.435 118 V N 1.432 121.271 119.914 -0.125 0.000 2.427 118 V HA -0.159 3.965 4.120 0.008 0.000 0.248 118 V C 2.781 178.779 176.094 -0.161 0.000 1.051 118 V CA 1.850 64.052 62.300 -0.163 0.000 1.048 118 V CB -1.141 30.594 31.823 -0.147 0.000 0.666 118 V HN 0.528 nan 8.190 nan 0.000 0.456 119 T N -0.033 114.451 114.554 -0.116 0.000 2.652 119 T HA -0.211 4.143 4.350 0.008 0.000 0.267 119 T C 1.984 176.608 174.700 -0.127 0.000 1.039 119 T CA 2.266 64.310 62.100 -0.094 0.000 1.153 119 T CB -0.425 68.410 68.868 -0.053 0.000 0.863 119 T HN 0.568 nan 8.240 nan 0.000 0.428 120 T N 2.455 116.907 114.554 -0.170 0.000 2.746 120 T HA 0.036 4.390 4.350 0.008 0.000 0.267 120 T C 2.020 176.490 174.700 -0.383 0.000 1.039 120 T CA 0.832 62.792 62.100 -0.233 0.000 1.142 120 T CB -0.496 68.227 68.868 -0.242 0.000 0.866 120 T HN 0.219 nan 8.240 nan 0.000 0.444 121 L N 0.784 121.692 121.223 -0.526 0.000 2.012 121 L HA -0.121 4.223 4.340 0.008 0.000 0.210 121 L C 2.692 179.421 176.870 -0.235 0.000 1.073 121 L CA 1.085 55.648 54.840 -0.462 0.000 0.748 121 L CB -0.703 41.117 42.059 -0.399 0.000 0.891 121 L HN 0.161 nan 8.230 nan 0.000 0.431 122 V N 0.003 119.810 119.914 -0.179 0.000 2.343 122 V HA -0.226 3.899 4.120 0.008 0.000 0.247 122 V C 2.615 178.659 176.094 -0.083 0.000 1.051 122 V CA 1.938 64.172 62.300 -0.110 0.000 1.036 122 V CB -1.378 30.392 31.823 -0.087 0.000 0.654 122 V HN 0.594 nan 8.190 nan 0.000 0.451 123 G N -0.364 108.384 108.800 -0.086 0.000 2.440 123 G HA2 -0.226 3.739 3.960 0.008 0.000 0.218 123 G HA3 -0.226 3.739 3.960 0.008 0.000 0.218 123 G C 1.491 176.364 174.900 -0.045 0.000 1.154 123 G CA 0.694 45.763 45.100 -0.052 0.000 0.767 123 G HN 0.475 nan 8.290 nan 0.000 0.552 124 E N 0.257 120.415 120.200 -0.070 0.000 2.106 124 E HA -0.027 4.328 4.350 0.008 0.000 0.192 124 E C 2.636 179.222 176.600 -0.024 0.000 0.984 124 E CA 0.621 57.001 56.400 -0.033 0.000 0.806 124 E CB -0.345 29.333 29.700 -0.036 0.000 0.750 124 E HN 0.500 nan 8.360 nan 0.000 0.458 125 M N 0.168 119.743 119.600 -0.043 0.000 2.159 125 M HA -0.125 4.359 4.480 0.008 0.000 0.263 125 M C 2.364 178.654 176.300 -0.017 0.000 1.063 125 M CA 1.571 56.855 55.300 -0.027 0.000 1.110 125 M CB -0.298 32.279 32.600 -0.038 0.000 1.374 125 M HN 0.052 nan 8.290 nan 0.000 0.411 126 A N 0.804 123.610 122.820 -0.023 0.000 1.858 126 A HA -0.175 4.149 4.320 0.008 0.000 0.216 126 A C 2.104 179.681 177.584 -0.012 0.000 1.190 126 A CA 1.776 53.802 52.037 -0.018 0.000 0.617 126 A CB -0.533 18.453 19.000 -0.023 0.000 0.827 126 A HN 0.411 nan 8.150 nan 0.000 0.443 127 K N -0.165 120.230 120.400 -0.009 0.000 2.063 127 K HA -0.099 4.226 4.320 0.008 0.000 0.208 127 K C 2.198 178.800 176.600 0.003 0.000 1.048 127 K CA 1.240 57.527 56.287 -0.001 0.000 0.928 127 K CB -0.363 32.141 32.500 0.007 0.000 0.713 127 K HN 0.445 nan 8.250 nan 0.000 0.442 128 A N 1.220 124.043 122.820 0.005 0.000 2.019 128 A HA -0.078 4.246 4.320 0.008 0.000 0.219 128 A C 2.200 179.788 177.584 0.006 0.000 1.164 128 A CA 1.726 53.768 52.037 0.008 0.000 0.644 128 A CB -0.503 18.504 19.000 0.011 0.000 0.805 128 A HN 0.337 nan 8.150 nan 0.000 0.449 129 A N -1.840 120.981 122.820 0.002 0.000 2.238 129 A HA 0.412 4.736 4.320 0.008 0.000 0.208 129 A C 1.765 179.348 177.584 -0.001 0.000 1.177 129 A CA 1.159 53.197 52.037 0.001 0.000 0.804 129 A CB -0.870 18.130 19.000 -0.001 0.000 0.823 129 A HN 1.859 nan 8.150 nan 0.000 0.482 130 G N -1.301 107.498 108.800 -0.002 0.000 2.143 130 G HA2 -0.190 3.774 3.960 0.008 0.000 0.248 130 G HA3 -0.190 3.774 3.960 0.008 0.000 0.248 130 G C 0.109 175.004 174.900 -0.009 0.000 0.991 130 G CA 0.169 45.267 45.100 -0.003 0.000 0.689 130 G HN 0.764 nan 8.290 nan 0.000 0.522 131 V N 0.445 120.351 119.914 -0.014 0.000 2.498 131 V HA 0.273 4.397 4.120 0.008 0.000 0.279 131 V C 0.949 177.024 176.094 -0.032 0.000 1.048 131 V CA -0.244 62.041 62.300 -0.024 0.000 0.967 131 V CB 1.501 33.308 31.823 -0.027 0.000 0.988 131 V HN 0.474 nan 8.190 nan 0.000 0.473 132 N N 3.467 122.142 118.700 -0.042 0.000 2.406 132 N HA 0.266 5.010 4.740 0.008 0.000 0.265 132 N C -0.818 174.640 175.510 -0.087 0.000 1.203 132 N CA -0.076 52.943 53.050 -0.052 0.000 0.945 132 N CB 0.729 39.184 38.487 -0.055 0.000 1.165 132 N HN 0.515 nan 8.380 nan 0.000 0.485 133 V N 3.061 122.936 119.914 -0.065 0.000 2.604 133 V HA 0.759 4.884 4.120 0.008 0.000 0.305 133 V C 0.122 176.195 176.094 -0.036 0.000 1.043 133 V CA -0.485 61.770 62.300 -0.074 0.000 0.888 133 V CB 1.541 33.343 31.823 -0.036 0.000 0.995 133 V HN 0.658 nan 8.190 nan 0.000 0.429 134 G N 5.245 114.032 108.800 -0.022 0.000 2.370 134 G HA2 0.584 4.549 3.960 0.008 0.000 0.317 134 G HA3 0.584 4.549 3.960 0.008 0.000 0.317 134 G C -1.181 173.818 174.900 0.165 0.000 1.162 134 G CA -0.368 44.814 45.100 0.137 0.000 0.922 134 G HN 0.809 nan 8.290 nan 0.000 0.454 135 V N 2.191 122.161 119.914 0.092 0.000 2.384 135 V HA 0.931 5.056 4.120 0.008 0.000 0.287 135 V C 0.717 176.824 176.094 0.022 0.000 1.020 135 V CA 0.403 62.732 62.300 0.049 0.000 0.850 135 V CB 0.802 32.640 31.823 0.024 0.000 0.987 135 V HN 1.134 nan 8.190 nan 0.000 0.436 136 G N 2.144 110.929 108.800 -0.025 0.000 2.588 136 G HA2 0.790 4.754 3.960 0.008 0.000 0.281 136 G HA3 0.790 4.754 3.960 0.008 0.000 0.281 136 G C -0.038 174.801 174.900 -0.102 0.000 1.223 136 G CA 0.417 45.482 45.100 -0.058 0.000 0.871 136 G HN 1.561 nan 8.290 nan 0.000 0.492 137 G N 0.015 108.738 108.800 -0.130 0.000 2.475 137 G HA2 -0.137 3.828 3.960 0.008 0.000 0.223 137 G HA3 -0.137 3.828 3.960 0.008 0.000 0.223 137 G C 0.865 175.736 174.900 -0.048 0.000 1.201 137 G CA 0.989 46.013 45.100 -0.126 0.000 0.962 137 G HN 1.537 nan 8.290 nan 0.000 0.586 138 N N 0.194 118.880 118.700 -0.024 0.000 2.381 138 N HA 0.056 4.800 4.740 0.008 0.000 0.182 138 N C 2.312 177.854 175.510 0.054 0.000 1.025 138 N CA 1.727 54.790 53.050 0.021 0.000 0.888 138 N CB -0.174 38.325 38.487 0.020 0.000 0.965 138 N HN 0.603 nan 8.380 nan 0.000 0.438 139 I N -1.451 119.142 120.570 0.040 0.000 2.530 139 I HA -0.129 4.045 4.170 0.008 0.000 0.257 139 I C 1.282 177.455 176.117 0.093 0.000 1.179 139 I CA 1.511 62.855 61.300 0.074 0.000 1.440 139 I CB -0.028 38.001 38.000 0.048 0.000 1.087 139 I HN 0.388 nan 8.210 nan 0.000 0.440 140 G N 0.013 108.848 108.800 0.057 0.000 3.033 140 G HA2 -0.122 3.843 3.960 0.008 0.000 0.208 140 G HA3 -0.122 3.843 3.960 0.008 0.000 0.208 140 G C -0.242 174.674 174.900 0.026 0.000 1.006 140 G CA -0.020 45.112 45.100 0.052 0.000 0.808 140 G HN 0.156 nan 8.290 nan 0.000 0.499 141 L N 3.362 124.594 121.223 0.015 0.000 2.259 141 L HA 0.696 5.041 4.340 0.008 0.000 0.288 141 L C -2.336 174.519 176.870 -0.025 0.000 1.051 141 L CA -2.541 52.303 54.840 0.005 0.000 0.824 141 L CB 0.649 42.717 42.059 0.015 0.000 1.206 141 L HN -0.155 nan 8.230 nan 0.000 0.429 142 P HA 0.020 nan 4.420 nan 0.000 0.261 142 P C 0.358 177.604 177.300 -0.090 0.000 1.183 142 P CA 0.407 63.478 63.100 -0.048 0.000 0.761 142 P CB 0.810 32.499 31.700 -0.019 0.000 0.785 143 A N 4.609 127.311 122.820 -0.197 0.000 1.958 143 A HA -0.215 4.109 4.320 0.008 0.000 0.221 143 A C 1.918 179.406 177.584 -0.159 0.000 1.178 143 A CA 1.668 53.449 52.037 -0.427 0.000 0.642 143 A CB -1.382 17.136 19.000 -0.804 0.000 0.816 143 A HN 0.578 nan 8.150 nan 0.000 0.453 144 L N -1.599 119.627 121.223 0.005 0.000 2.265 144 L HA -0.136 4.209 4.340 0.008 0.000 0.215 144 L C 2.498 179.462 176.870 0.158 0.000 1.117 144 L CA 1.080 56.007 54.840 0.146 0.000 0.782 144 L CB -0.386 41.662 42.059 -0.018 0.000 0.914 144 L HN 0.425 nan 8.230 nan 0.000 0.441 145 M N -0.860 118.794 119.600 0.090 0.000 2.619 145 M HA -0.073 4.412 4.480 0.008 0.000 0.251 145 M C 1.710 178.088 176.300 0.131 0.000 1.106 145 M CA 0.932 56.290 55.300 0.098 0.000 1.086 145 M CB 0.094 32.730 32.600 0.060 0.000 1.465 145 M HN 0.241 nan 8.290 nan 0.000 0.506 146 L N -0.494 120.831 121.223 0.169 0.000 2.375 146 L HA 0.087 4.431 4.340 0.008 0.000 0.215 146 L C 0.617 177.734 176.870 0.411 0.000 1.108 146 L CA -0.117 54.889 54.840 0.277 0.000 0.830 146 L CB -0.249 41.978 42.059 0.279 0.000 0.959 146 L HN 0.213 nan 8.230 nan 0.000 0.457 147 L N 2.038 123.462 121.223 0.335 0.000 2.615 147 L HA 0.004 4.348 4.340 0.008 0.000 0.271 147 L C -0.440 176.578 176.870 0.246 0.000 1.183 147 L CA 0.501 55.508 54.840 0.279 0.000 0.933 147 L CB -0.067 42.075 42.059 0.138 0.000 1.199 147 L HN 0.068 nan 8.230 nan 0.000 0.487 148 D N 1.894 122.467 120.400 0.287 0.000 2.937 148 D HA 0.099 4.743 4.640 0.008 0.000 0.215 148 D C 0.053 176.425 176.300 0.119 0.000 1.274 148 D CA -0.497 53.600 54.000 0.162 0.000 0.869 148 D CB 1.588 42.473 40.800 0.142 0.000 1.675 148 D HN 0.311 nan 8.370 nan 0.000 0.538 149 D N 1.426 121.868 120.400 0.070 0.000 2.312 149 D HA -0.076 4.569 4.640 0.008 0.000 0.211 149 D C 0.969 177.278 176.300 0.016 0.000 0.964 149 D CA 0.658 54.684 54.000 0.043 0.000 0.877 149 D CB 0.563 41.380 40.800 0.028 0.000 0.924 149 D HN 0.434 nan 8.370 nan 0.000 0.515 150 E N -0.141 120.065 120.200 0.009 0.000 2.478 150 E HA -0.018 4.337 4.350 0.008 0.000 0.194 150 E C 0.545 177.117 176.600 -0.047 0.000 1.045 150 E CA -0.128 56.265 56.400 -0.012 0.000 0.868 150 E CB -0.307 29.391 29.700 -0.004 0.000 0.885 150 E HN 0.136 nan 8.360 nan 0.000 0.505 151 C N 1.374 120.628 119.300 -0.077 0.000 2.637 151 C HA 0.096 4.561 4.460 0.008 0.000 0.418 151 C C 1.473 176.316 174.990 -0.244 0.000 1.319 151 C CA -0.027 58.867 59.018 -0.207 0.000 1.949 151 C CB -0.141 27.374 27.740 -0.375 0.000 2.639 151 C HN 0.357 nan 8.230 nan 0.000 0.594 152 E N 2.187 122.252 120.200 -0.224 0.000 2.447 152 E HA 0.249 4.604 4.350 0.008 0.000 0.204 152 E C -0.644 175.858 176.600 -0.164 0.000 0.977 152 E CA 0.034 56.343 56.400 -0.151 0.000 0.950 152 E CB 0.599 30.248 29.700 -0.086 0.000 0.975 152 E HN 0.569 nan 8.360 nan 0.000 0.496 153 L N 0.146 121.216 121.223 -0.254 0.000 2.549 153 L HA 0.347 4.691 4.340 0.008 0.000 0.259 153 L C -2.070 174.668 176.870 -0.220 0.000 0.934 153 L CA -0.744 54.001 54.840 -0.158 0.000 0.865 153 L CB 1.237 43.259 42.059 -0.062 0.000 1.352 153 L HN -0.181 nan 8.230 nan 0.000 0.410 154 Y N 3.735 124.089 120.300 0.090 0.000 2.341 154 Y HA 0.696 5.250 4.550 0.007 0.000 0.337 154 Y C -0.241 175.689 175.900 0.049 0.000 1.014 154 Y CA -0.807 57.357 58.100 0.107 0.000 1.111 154 Y CB 2.108 40.717 38.460 0.248 0.000 1.194 154 Y HN 0.295 nan 8.280 nan 0.000 0.462 155 V N 5.666 125.681 119.914 0.169 0.000 2.350 155 V HA 0.383 4.508 4.120 0.008 0.000 0.285 155 V C -0.425 175.681 176.094 0.019 0.000 1.014 155 V CA -0.847 61.494 62.300 0.068 0.000 0.831 155 V CB 1.027 32.861 31.823 0.018 0.000 1.000 155 V HN 0.581 nan 8.190 nan 0.000 0.433 156 L N 4.145 125.361 121.223 -0.012 0.000 2.305 156 L HA 0.557 4.902 4.340 0.008 0.000 0.284 156 L C 0.291 177.126 176.870 -0.058 0.000 1.013 156 L CA -0.335 54.459 54.840 -0.077 0.000 0.819 156 L CB 1.914 43.897 42.059 -0.126 0.000 1.227 156 L HN 0.664 nan 8.230 nan 0.000 0.417 157 E N 4.593 124.759 120.200 -0.057 0.000 2.259 157 E HA 0.468 4.822 4.350 0.008 0.000 0.281 157 E C -1.420 175.150 176.600 -0.050 0.000 1.037 157 E CA -0.446 55.929 56.400 -0.043 0.000 0.854 157 E CB 0.955 30.641 29.700 -0.023 0.000 1.051 157 E HN 0.485 nan 8.360 nan 0.000 0.409 158 L N 3.635 124.829 121.223 -0.048 0.000 2.385 158 L HA 0.336 4.680 4.340 0.008 0.000 0.273 158 L C 0.055 176.899 176.870 -0.044 0.000 0.990 158 L CA -0.863 53.949 54.840 -0.047 0.000 0.821 158 L CB 2.024 44.051 42.059 -0.054 0.000 1.279 158 L HN 0.590 nan 8.230 nan 0.000 0.412 159 S N -0.244 115.435 115.700 -0.034 0.000 2.669 159 S HA 0.218 4.693 4.470 0.008 0.000 0.270 159 S C 1.159 175.724 174.600 -0.058 0.000 1.225 159 S CA -0.097 58.061 58.200 -0.070 0.000 0.991 159 S CB 1.610 64.731 63.200 -0.131 0.000 0.987 159 S HN 0.726 nan 8.310 nan 0.000 0.552 160 S N 0.551 116.201 115.700 -0.085 0.000 2.400 160 S HA -0.130 4.345 4.470 0.008 0.000 0.232 160 S C 1.414 176.141 174.600 0.210 0.000 1.025 160 S CA 0.880 59.094 58.200 0.024 0.000 0.993 160 S CB -0.955 62.300 63.200 0.093 0.000 0.808 160 S HN 0.627 nan 8.310 nan 0.000 0.478 161 F N 2.262 122.276 119.950 0.107 0.000 2.102 161 F HA 0.039 4.571 4.527 0.007 0.000 0.298 161 F C 2.886 178.705 175.800 0.031 0.000 1.105 161 F CA 0.699 58.732 58.000 0.055 0.000 1.239 161 F CB -1.427 37.553 39.000 -0.033 0.000 0.991 161 F HN 0.275 nan 8.300 nan 0.000 0.474 162 Q N -0.005 119.921 119.800 0.209 0.000 2.084 162 Q HA -0.164 4.180 4.340 0.008 0.000 0.202 162 Q C 2.345 178.388 176.000 0.072 0.000 0.978 162 Q CA 1.335 57.199 55.803 0.102 0.000 0.844 162 Q CB -0.414 28.353 28.738 0.048 0.000 0.898 162 Q HN 0.401 nan 8.270 nan 0.000 0.426 163 L N 0.609 121.870 121.223 0.063 0.000 2.131 163 L HA -0.192 4.153 4.340 0.008 0.000 0.210 163 L C 2.126 179.033 176.870 0.062 0.000 1.092 163 L CA 1.033 55.895 54.840 0.037 0.000 0.759 163 L CB -0.338 41.718 42.059 -0.006 0.000 0.903 163 L HN 0.252 nan 8.230 nan 0.000 0.435 164 E N -0.378 119.889 120.200 0.111 0.000 2.171 164 E HA -0.220 4.134 4.350 0.008 0.000 0.197 164 E C 1.624 178.272 176.600 0.079 0.000 0.997 164 E CA 1.838 58.308 56.400 0.116 0.000 0.810 164 E CB -0.100 29.703 29.700 0.171 0.000 0.738 164 E HN 0.574 nan 8.360 nan 0.000 0.467 165 T N -1.964 112.632 114.554 0.070 0.000 3.134 165 T HA 0.121 4.476 4.350 0.008 0.000 0.260 165 T C 0.325 175.052 174.700 0.045 0.000 1.027 165 T CA -0.385 61.746 62.100 0.052 0.000 0.913 165 T CB 0.477 69.371 68.868 0.043 0.000 1.046 165 T HN -0.199 nan 8.240 nan 0.000 0.553 166 T N 1.928 116.509 114.554 0.044 0.000 2.797 166 T HA 0.526 4.880 4.350 0.008 0.000 0.279 166 T C 0.840 175.564 174.700 0.040 0.000 0.991 166 T CA -0.524 61.600 62.100 0.041 0.000 0.979 166 T CB 1.741 70.630 68.868 0.036 0.000 0.943 166 T HN 0.325 nan 8.240 nan 0.000 0.444 167 S N 0.491 116.216 115.700 0.043 0.000 2.649 167 S HA 0.140 4.614 4.470 0.008 0.000 0.246 167 S C 1.226 175.850 174.600 0.041 0.000 1.057 167 S CA -0.423 57.801 58.200 0.040 0.000 1.051 167 S CB 0.322 63.546 63.200 0.041 0.000 1.018 167 S HN 0.386 nan 8.310 nan 0.000 0.569 168 S N 1.556 117.283 115.700 0.045 0.000 2.568 168 S HA 0.409 4.884 4.470 0.008 0.000 0.232 168 S C -0.107 174.521 174.600 0.046 0.000 0.975 168 S CA -0.473 57.752 58.200 0.043 0.000 0.949 168 S CB 0.059 63.284 63.200 0.042 0.000 0.829 168 S HN 0.508 nan 8.310 nan 0.000 0.479 169 L N 3.301 124.554 121.223 0.050 0.000 2.361 169 L HA 0.264 4.609 4.340 0.008 0.000 0.278 169 L C -0.187 176.716 176.870 0.055 0.000 1.113 169 L CA 0.775 55.650 54.840 0.058 0.000 0.849 169 L CB 0.268 42.359 42.059 0.052 0.000 1.155 169 L HN 0.092 nan 8.230 nan 0.000 0.452 170 Q N 5.816 125.652 119.800 0.060 0.000 2.798 170 Q HA 0.491 4.836 4.340 0.008 0.000 0.250 170 Q C -0.251 175.791 176.000 0.069 0.000 1.006 170 Q CA -0.609 55.230 55.803 0.060 0.000 0.759 170 Q CB 1.223 29.991 28.738 0.050 0.000 1.201 170 Q HN 0.871 nan 8.270 nan 0.000 0.486 171 A N 1.033 123.898 122.820 0.075 0.000 2.498 171 A HA 0.060 4.385 4.320 0.008 0.000 0.239 171 A C 1.176 178.805 177.584 0.074 0.000 1.068 171 A CA -0.151 51.934 52.037 0.080 0.000 0.766 171 A CB 0.672 19.719 19.000 0.078 0.000 1.003 171 A HN 0.570 nan 8.150 nan 0.000 0.497 172 V N 1.556 121.514 119.914 0.072 0.000 2.626 172 V HA 0.289 4.413 4.120 0.008 0.000 0.252 172 V C 0.998 177.126 176.094 0.057 0.000 1.067 172 V CA 2.239 64.575 62.300 0.060 0.000 1.081 172 V CB -0.513 31.343 31.823 0.055 0.000 0.686 172 V HN 1.449 nan 8.190 nan 0.000 0.468 173 A N -0.897 121.960 122.820 0.061 0.000 2.513 173 A HA 0.858 5.182 4.320 0.008 0.000 0.296 173 A C -0.765 176.864 177.584 0.075 0.000 1.052 173 A CA 0.109 52.182 52.037 0.060 0.000 0.714 173 A CB 1.520 20.540 19.000 0.033 0.000 1.279 173 A HN 1.025 nan 8.150 nan 0.000 0.397 174 A N 0.983 123.876 122.820 0.121 0.000 2.422 174 A HA 0.932 5.256 4.320 0.008 0.000 0.302 174 A C -0.464 177.265 177.584 0.242 0.000 1.041 174 A CA -0.202 51.920 52.037 0.143 0.000 0.708 174 A CB 1.779 20.879 19.000 0.168 0.000 1.257 174 A HN 1.564 nan 8.150 nan 0.000 0.414 175 T N 1.808 116.446 114.554 0.139 0.000 2.912 175 T HA 0.621 4.976 4.350 0.008 0.000 0.299 175 T C -1.152 173.564 174.700 0.027 0.000 1.052 175 T CA -0.331 61.891 62.100 0.203 0.000 0.996 175 T CB 0.454 69.412 68.868 0.151 0.000 1.070 175 T HN 0.480 nan 8.240 nan 0.000 0.465 176 I N 6.283 126.894 120.570 0.068 0.000 2.312 176 I HA 0.277 4.452 4.170 0.008 0.000 0.290 176 I C 1.301 177.500 176.117 0.137 0.000 1.008 176 I CA -0.573 60.723 61.300 -0.006 0.000 1.226 176 I CB 1.508 39.455 38.000 -0.088 0.000 1.371 176 I HN 0.615 nan 8.210 nan 0.000 0.468 177 L N 5.562 126.861 121.223 0.126 0.000 2.093 177 L HA -0.086 4.259 4.340 0.008 0.000 0.208 177 L C 0.111 177.106 176.870 0.207 0.000 1.085 177 L CA 1.095 56.084 54.840 0.248 0.000 0.755 177 L CB -0.393 41.749 42.059 0.138 0.000 0.904 177 L HN 0.838 nan 8.230 nan 0.000 0.435 178 N N -3.324 115.430 118.700 0.089 0.000 3.265 178 N HA 0.323 5.068 4.740 0.008 0.000 0.235 178 N C -1.381 174.132 175.510 0.006 0.000 1.343 178 N CA -0.702 52.379 53.050 0.051 0.000 0.904 178 N CB 1.535 40.063 38.487 0.068 0.000 1.492 178 N HN -0.303 nan 8.380 nan 0.000 0.504 179 V N 0.170 120.082 119.914 -0.003 0.000 2.409 179 V HA 0.828 4.953 4.120 0.008 0.000 0.290 179 V C -0.374 175.757 176.094 0.062 0.000 1.017 179 V CA -0.195 62.095 62.300 -0.017 0.000 0.841 179 V CB 0.843 32.614 31.823 -0.088 0.000 1.003 179 V HN 1.055 nan 8.190 nan 0.000 0.426 180 T N 0.364 115.002 114.554 0.140 0.000 2.896 180 T HA 0.555 4.910 4.350 0.008 0.000 0.297 180 T C -0.467 174.324 174.700 0.150 0.000 1.108 180 T CA -0.759 61.409 62.100 0.113 0.000 1.004 180 T CB 1.999 70.898 68.868 0.051 0.000 1.159 180 T HN 0.639 nan 8.240 nan 0.000 0.499 181 E N 0.961 121.186 120.200 0.042 0.000 2.585 181 E HA 0.181 4.535 4.350 0.008 0.000 0.252 181 E C -0.903 175.568 176.600 -0.215 0.000 0.981 181 E CA 0.445 56.804 56.400 -0.069 0.000 0.943 181 E CB 0.218 29.872 29.700 -0.077 0.000 0.923 181 E HN 0.625 nan 8.360 nan 0.000 0.486 182 D N 1.811 121.907 120.400 -0.505 0.000 2.663 182 D HA 0.164 4.809 4.640 0.008 0.000 0.233 182 D C -1.055 174.854 176.300 -0.651 0.000 1.240 182 D CA -0.254 53.379 54.000 -0.611 0.000 0.774 182 D CB 0.669 41.092 40.800 -0.629 0.000 1.443 182 D HN 0.614 nan 8.370 nan 0.000 0.441 183 H N 2.199 121.148 119.070 -0.202 0.000 2.862 183 H HA -0.141 4.419 4.556 0.008 0.000 0.290 183 H C 1.246 176.625 175.328 0.084 0.000 1.211 183 H CA 0.691 56.746 56.048 0.012 0.000 1.140 183 H CB -0.994 28.847 29.762 0.132 0.000 1.341 183 H HN 0.443 nan 8.280 nan 0.000 0.392 184 M N 0.453 120.084 119.600 0.051 0.000 2.374 184 M HA -0.082 4.402 4.480 0.008 0.000 0.264 184 M C 1.999 178.332 176.300 0.056 0.000 1.067 184 M CA 1.592 56.932 55.300 0.066 0.000 1.103 184 M CB -0.496 32.086 32.600 -0.030 0.000 1.402 184 M HN 0.365 nan 8.290 nan 0.000 0.444 185 D N -0.539 119.886 120.400 0.042 0.000 2.310 185 D HA -0.180 4.464 4.640 0.008 0.000 0.212 185 D C 1.662 177.940 176.300 -0.036 0.000 0.965 185 D CA 0.867 54.872 54.000 0.008 0.000 0.879 185 D CB -0.315 40.497 40.800 0.020 0.000 0.921 185 D HN 0.246 nan 8.370 nan 0.000 0.510 186 R N -0.975 119.488 120.500 -0.061 0.000 2.365 186 R HA 0.093 4.438 4.340 0.008 0.000 0.223 186 R C -0.291 175.695 176.300 -0.523 0.000 0.899 186 R CA -0.044 55.870 56.100 -0.310 0.000 1.059 186 R CB 0.369 30.432 30.300 -0.395 0.000 1.086 186 R HN 0.212 nan 8.270 nan 0.000 0.522 187 Y N 1.015 121.391 120.300 0.127 0.000 2.705 187 Y HA 0.296 4.850 4.550 0.007 0.000 0.355 187 Y C -1.662 174.288 175.900 0.084 0.000 1.039 187 Y CA -2.629 55.564 58.100 0.156 0.000 1.233 187 Y CB 1.569 40.146 38.460 0.196 0.000 1.103 187 Y HN -0.070 nan 8.280 nan 0.000 0.624 188 P HA -0.057 nan 4.420 nan 0.000 0.237 188 P C 0.489 177.591 177.300 -0.329 0.000 1.178 188 P CA 0.980 64.015 63.100 -0.108 0.000 0.766 188 P CB 0.104 31.694 31.700 -0.184 0.000 0.876 189 F N 0.368 120.394 119.950 0.127 0.000 2.645 189 F HA 0.376 4.908 4.527 0.008 0.000 0.300 189 F C 1.858 177.724 175.800 0.110 0.000 1.115 189 F CA 0.582 58.644 58.000 0.104 0.000 1.355 189 F CB -0.539 38.522 39.000 0.101 0.000 1.026 189 F HN 0.041 nan 8.300 nan 0.000 0.536 190 G N 0.644 109.563 108.800 0.198 0.000 2.601 190 G HA2 -0.356 3.608 3.960 0.008 0.000 0.252 190 G HA3 -0.356 3.608 3.960 0.008 0.000 0.252 190 G C 0.615 175.610 174.900 0.159 0.000 1.294 190 G CA -0.006 45.179 45.100 0.143 0.000 0.912 190 G HN 0.246 nan 8.290 nan 0.000 0.574 191 L N -0.011 121.281 121.223 0.115 0.000 2.046 191 L HA -0.005 4.339 4.340 0.008 0.000 0.208 191 L C 2.961 179.895 176.870 0.107 0.000 1.077 191 L CA 3.101 58.021 54.840 0.134 0.000 0.747 191 L CB -0.607 41.509 42.059 0.095 0.000 0.896 191 L HN 0.615 nan 8.230 nan 0.000 0.432 192 Q N -0.686 119.164 119.800 0.083 0.000 2.167 192 Q HA -0.242 4.102 4.340 0.008 0.000 0.202 192 Q C 2.154 178.174 176.000 0.033 0.000 0.970 192 Q CA 1.571 57.403 55.803 0.048 0.000 0.855 192 Q CB -0.316 28.457 28.738 0.059 0.000 0.911 192 Q HN 0.695 nan 8.270 nan 0.000 0.438 193 Q N -0.612 119.242 119.800 0.091 0.000 2.046 193 Q HA -0.187 4.158 4.340 0.008 0.000 0.200 193 Q C 1.933 177.847 176.000 -0.143 0.000 0.975 193 Q CA 1.080 56.936 55.803 0.089 0.000 0.836 193 Q CB -0.145 28.785 28.738 0.320 0.000 0.896 193 Q HN 0.348 nan 8.270 nan 0.000 0.428 194 Y N 1.488 121.464 120.300 -0.540 0.000 2.081 194 Y HA -0.298 4.256 4.550 0.008 0.000 0.280 194 Y C 2.338 177.995 175.900 -0.406 0.000 1.163 194 Y CA 2.287 59.842 58.100 -0.908 0.000 1.135 194 Y CB -0.476 37.627 38.460 -0.595 0.000 0.970 194 Y HN 0.053 nan 8.280 nan 0.000 0.498 195 R N 0.296 120.571 120.500 -0.375 0.000 2.091 195 R HA -0.169 4.176 4.340 0.008 0.000 0.238 195 R C 2.302 178.462 176.300 -0.234 0.000 1.136 195 R CA 1.409 57.303 56.100 -0.345 0.000 0.959 195 R CB -0.596 29.606 30.300 -0.163 0.000 0.856 195 R HN 0.452 nan 8.270 nan 0.000 0.437 196 A N 1.135 123.867 122.820 -0.147 0.000 1.933 196 A HA 0.065 4.389 4.320 0.008 0.000 0.218 196 A C 1.373 178.908 177.584 -0.083 0.000 1.175 196 A CA 1.175 53.164 52.037 -0.081 0.000 0.628 196 A CB -0.624 18.358 19.000 -0.030 0.000 0.814 196 A HN 0.567 nan 8.150 nan 0.000 0.444 200 R N 0.632 121.074 120.500 -0.096 0.000 2.193 200 R HA -0.042 4.302 4.340 0.008 0.000 0.229 200 R C 1.989 178.248 176.300 -0.069 0.000 1.110 200 R CA 1.467 57.539 56.100 -0.046 0.000 0.988 200 R CB -0.066 30.219 30.300 -0.025 0.000 0.871 200 R HN 0.347 nan 8.270 nan 0.000 0.458 201 I N 0.115 120.574 120.570 -0.185 0.000 2.454 201 I HA -0.267 3.908 4.170 0.008 0.000 0.254 201 I C 1.039 177.098 176.117 -0.097 0.000 1.156 201 I CA 1.181 62.368 61.300 -0.189 0.000 1.433 201 I CB 0.132 37.944 38.000 -0.313 0.000 1.082 201 I HN 0.132 nan 8.210 nan 0.000 0.432 202 Y N 0.829 121.129 120.300 -0.000 0.000 2.544 202 Y HA 0.062 4.616 4.550 0.007 0.000 0.286 202 Y C 0.925 176.831 175.900 0.009 0.000 1.141 202 Y CA -0.205 57.898 58.100 0.004 0.000 1.299 202 Y CB -0.534 37.925 38.460 -0.001 0.000 1.030 202 Y HN 0.025 nan 8.280 nan 0.000 0.543 203 E N 1.916 122.201 120.200 0.143 0.000 2.406 203 E HA -0.061 4.293 4.350 0.008 0.000 0.258 203 E C 0.365 177.012 176.600 0.078 0.000 1.043 203 E CA 0.194 56.650 56.400 0.093 0.000 0.929 203 E CB -0.120 29.616 29.700 0.060 0.000 0.969 203 E HN 0.320 nan 8.360 nan 0.000 0.462 204 N N 0.019 118.760 118.700 0.069 0.000 2.800 204 N HA -0.202 4.543 4.740 0.008 0.000 0.250 204 N C -0.456 175.093 175.510 0.064 0.000 1.078 204 N CA 1.092 54.175 53.050 0.057 0.000 0.804 204 N CB -1.124 37.391 38.487 0.048 0.000 1.135 204 N HN 0.542 nan 8.380 nan 0.000 0.565 205 A N 0.679 123.550 122.820 0.086 0.000 2.363 205 A HA 0.258 4.583 4.320 0.008 0.000 0.270 205 A C 1.396 179.020 177.584 0.067 0.000 1.121 205 A CA 0.086 52.178 52.037 0.092 0.000 0.800 205 A CB 0.773 19.862 19.000 0.147 0.000 1.052 205 A HN 0.273 nan 8.150 nan 0.000 0.493 206 K N 1.590 122.025 120.400 0.057 0.000 2.026 206 K HA -0.015 4.310 4.320 0.008 0.000 0.208 206 K C -0.089 176.533 176.600 0.037 0.000 1.048 206 K CA 1.486 57.799 56.287 0.043 0.000 0.929 206 K CB -0.027 32.497 32.500 0.041 0.000 0.713 206 K HN 0.507 nan 8.250 nan 0.000 0.439 207 V N 1.056 120.997 119.914 0.046 0.000 2.531 207 V HA 0.218 4.343 4.120 0.008 0.000 0.301 207 V C -0.771 175.351 176.094 0.047 0.000 1.034 207 V CA -1.034 61.288 62.300 0.036 0.000 0.865 207 V CB 1.481 33.328 31.823 0.040 0.000 0.995 207 V HN 0.226 nan 8.190 nan 0.000 0.424 208 C N 4.652 123.950 119.300 -0.003 0.000 2.341 208 C HA 0.729 5.194 4.460 0.008 0.000 0.338 208 C C 0.244 175.216 174.990 -0.031 0.000 1.257 208 C CA -0.643 58.350 59.018 -0.042 0.000 1.883 208 C CB 1.134 28.647 27.740 -0.378 0.000 2.334 208 C HN 0.642 nan 8.230 nan 0.000 0.524 209 V N 4.716 124.686 119.914 0.094 0.000 2.407 209 V HA 0.546 4.670 4.120 0.008 0.000 0.291 209 V C 0.025 176.248 176.094 0.215 0.000 1.018 209 V CA -0.240 62.139 62.300 0.133 0.000 0.842 209 V CB 1.374 33.274 31.823 0.129 0.000 0.996 209 V HN 0.801 nan 8.190 nan 0.000 0.426 210 V N 2.046 122.020 119.914 0.100 0.000 2.881 210 V HA 0.697 4.821 4.120 0.008 0.000 0.316 210 V C -0.168 175.757 176.094 -0.283 0.000 1.070 210 V CA -0.902 61.407 62.300 0.016 0.000 0.976 210 V CB 2.179 33.953 31.823 -0.082 0.000 1.038 210 V HN 0.689 nan 8.190 nan 0.000 0.446 211 N N 1.870 120.320 118.700 -0.417 0.000 2.420 211 N HA 0.446 5.191 4.740 0.008 0.000 0.249 211 N C 0.831 176.082 175.510 -0.432 0.000 1.033 211 N CA 0.282 52.818 53.050 -0.856 0.000 0.944 211 N CB 1.505 39.704 38.487 -0.481 0.000 1.113 211 N HN 1.000 nan 8.380 nan 0.000 0.502 212 A N 3.213 125.789 122.820 -0.408 0.000 2.067 212 A HA -0.092 4.233 4.320 0.008 0.000 0.219 212 A C 1.119 178.623 177.584 -0.133 0.000 1.158 212 A CA 1.134 53.056 52.037 -0.190 0.000 0.661 212 A CB 0.035 18.963 19.000 -0.120 0.000 0.801 212 A HN 0.685 nan 8.150 nan 0.000 0.452 213 D N -0.484 119.827 120.400 -0.148 0.000 2.339 213 D HA 0.044 4.688 4.640 0.008 0.000 0.217 213 D C -0.382 175.883 176.300 -0.060 0.000 1.050 213 D CA 0.376 54.333 54.000 -0.072 0.000 0.856 213 D CB 0.297 41.077 40.800 -0.033 0.000 0.922 213 D HN 0.314 nan 8.370 nan 0.000 0.518 214 D N 0.075 120.422 120.400 -0.087 0.000 2.440 214 D HA 0.334 4.979 4.640 0.008 0.000 0.252 214 D C 0.807 177.078 176.300 -0.049 0.000 1.180 214 D CA -0.573 53.397 54.000 -0.051 0.000 0.894 214 D CB 1.447 42.226 40.800 -0.035 0.000 1.111 214 D HN -0.124 nan 8.370 nan 0.000 0.544 215 A N 4.069 126.869 122.820 -0.034 0.000 2.019 215 A HA -0.091 4.234 4.320 0.008 0.000 0.219 215 A C 2.040 179.615 177.584 -0.016 0.000 1.164 215 A CA 0.839 52.860 52.037 -0.028 0.000 0.644 215 A CB -0.274 18.714 19.000 -0.020 0.000 0.805 215 A HN 0.695 nan 8.150 nan 0.000 0.449 216 L N 0.148 121.364 121.223 -0.013 0.000 2.478 216 L HA -0.072 4.273 4.340 0.008 0.000 0.223 216 L C 2.509 179.378 176.870 -0.001 0.000 1.140 216 L CA 1.407 56.240 54.840 -0.012 0.000 0.842 216 L CB -0.669 41.377 42.059 -0.020 0.000 0.953 216 L HN 0.645 nan 8.230 nan 0.000 0.452 217 T N -3.710 110.852 114.554 0.013 0.000 3.088 217 T HA 0.077 4.432 4.350 0.008 0.000 0.259 217 T C 0.780 175.575 174.700 0.159 0.000 1.122 217 T CA 0.083 62.227 62.100 0.075 0.000 1.095 217 T CB -0.066 68.837 68.868 0.058 0.000 0.930 217 T HN 0.056 nan 8.240 nan 0.000 0.508 218 M N 2.169 121.807 119.600 0.062 0.000 2.233 218 M HA 0.403 4.888 4.480 0.008 0.000 0.355 218 M C -2.514 173.812 176.300 0.043 0.000 1.191 218 M CA -2.398 52.909 55.300 0.013 0.000 1.101 218 M CB 1.007 33.584 32.600 -0.037 0.000 1.592 218 M HN -0.171 nan 8.290 nan 0.000 0.461 219 P HA 0.039 nan 4.420 nan 0.000 0.262 219 P C -0.606 176.696 177.300 0.004 0.000 1.182 219 P CA 0.403 63.516 63.100 0.021 0.000 0.761 219 P CB 0.232 31.887 31.700 -0.076 0.000 0.795 227 C N 1.521 120.770 119.300 -0.085 0.000 2.652 227 C HA 0.247 4.711 4.460 0.008 0.000 0.412 227 C C 0.941 175.920 174.990 -0.018 0.000 1.294 227 C CA -0.677 58.287 59.018 -0.089 0.000 2.127 227 C CB 0.118 27.751 27.740 -0.179 0.000 2.691 227 C HN 0.396 nan 8.230 nan 0.000 0.615 228 V N 4.145 124.073 119.914 0.023 0.000 2.655 228 V HA 0.303 4.428 4.120 0.008 0.000 0.300 228 V C 0.612 176.770 176.094 0.107 0.000 1.044 228 V CA 0.463 62.823 62.300 0.100 0.000 1.095 228 V CB 0.757 32.657 31.823 0.128 0.000 0.952 228 V HN 1.095 nan 8.190 nan 0.000 0.485 229 S N 4.896 120.690 115.700 0.156 0.000 2.607 229 S HA 0.906 5.381 4.470 0.008 0.000 0.303 229 S C -0.853 173.910 174.600 0.272 0.000 1.086 229 S CA -0.767 57.499 58.200 0.110 0.000 0.995 229 S CB 1.996 65.206 63.200 0.017 0.000 1.084 229 S HN 0.680 nan 8.310 nan 0.000 0.507 230 F N -1.233 118.790 119.950 0.123 0.000 2.576 230 F HA 1.010 5.542 4.527 0.007 0.000 0.313 230 F C 0.029 175.910 175.800 0.135 0.000 1.078 230 F CA -0.514 57.584 58.000 0.164 0.000 0.921 230 F CB 1.418 40.473 39.000 0.091 0.000 1.232 230 F HN 1.011 nan 8.300 nan 0.000 0.459 231 G N 1.023 109.963 108.800 0.234 0.000 2.619 231 G HA2 0.433 4.397 3.960 0.008 0.000 0.305 231 G HA3 0.433 4.397 3.960 0.008 0.000 0.305 231 G C -0.856 174.183 174.900 0.232 0.000 1.330 231 G CA -0.292 44.880 45.100 0.118 0.000 0.789 231 G HN 0.683 nan 8.290 nan 0.000 0.487 232 V N 0.462 120.477 119.914 0.168 0.000 2.300 232 V HA 0.010 4.135 4.120 0.008 0.000 0.241 232 V C 2.025 178.230 176.094 0.186 0.000 1.034 232 V CA 1.716 64.125 62.300 0.182 0.000 1.021 232 V CB -0.266 31.640 31.823 0.139 0.000 0.662 232 V HN 0.631 nan 8.190 nan 0.000 0.458 233 N N -0.300 118.473 118.700 0.120 0.000 2.348 233 N HA 0.217 4.961 4.740 0.008 0.000 0.183 233 N C 0.501 176.009 175.510 -0.002 0.000 1.094 233 N CA 0.336 53.432 53.050 0.077 0.000 0.885 233 N CB 0.636 39.147 38.487 0.040 0.000 1.065 233 N HN 0.525 nan 8.380 nan 0.000 0.472 234 M N -1.320 118.291 119.600 0.019 0.000 2.716 234 M HA 0.757 5.242 4.480 0.008 0.000 0.307 234 M C -0.091 176.242 176.300 0.055 0.000 1.223 234 M CA -0.703 54.575 55.300 -0.037 0.000 0.871 234 M CB 2.784 35.359 32.600 -0.042 0.000 1.739 234 M HN -0.031 nan 8.290 nan 0.000 0.475 235 G N 0.726 109.554 108.800 0.045 0.000 2.362 235 G HA2 -0.038 3.927 3.960 0.008 0.000 0.656 235 G HA3 -0.038 3.927 3.960 0.008 0.000 0.656 235 G C -0.833 174.209 174.900 0.237 0.000 1.376 235 G CA -0.425 44.761 45.100 0.144 0.000 0.971 235 G HN 0.767 nan 8.290 nan 0.000 0.636 236 D N -0.821 119.730 120.400 0.252 0.000 2.219 236 D HA 0.013 4.658 4.640 0.008 0.000 0.205 236 D C 0.163 176.545 176.300 0.138 0.000 0.970 236 D CA 1.664 55.789 54.000 0.208 0.000 0.851 236 D CB 0.092 41.040 40.800 0.246 0.000 0.943 236 D HN 0.304 nan 8.370 nan 0.000 0.488 237 Y N 0.621 121.050 120.300 0.214 0.000 2.326 237 Y HA 0.273 4.827 4.550 0.007 0.000 0.331 237 Y C 0.579 176.589 175.900 0.183 0.000 0.962 237 Y CA -0.895 57.286 58.100 0.135 0.000 1.167 237 Y CB 1.140 39.691 38.460 0.152 0.000 1.148 237 Y HN -0.017 nan 8.280 nan 0.000 0.463 238 H N 1.638 120.832 119.070 0.206 0.000 2.960 238 H HA 0.617 5.178 4.556 0.007 0.000 0.323 238 H C -1.776 173.642 175.328 0.149 0.000 1.326 238 H CA -1.226 54.927 56.048 0.175 0.000 1.124 238 H CB 1.099 30.928 29.762 0.112 0.000 1.853 238 H HN 0.548 nan 8.280 nan 0.000 0.536 239 L N 1.090 122.431 121.223 0.197 0.000 2.343 239 L HA 0.374 4.718 4.340 0.008 0.000 0.275 239 L C 0.645 177.640 176.870 0.207 0.000 1.056 239 L CA -0.579 54.352 54.840 0.152 0.000 0.804 239 L CB 1.426 43.592 42.059 0.178 0.000 1.203 239 L HN 0.648 nan 8.230 nan 0.000 0.440 246 T N 2.562 117.010 114.554 -0.177 0.000 2.861 246 T HA 0.569 4.923 4.350 0.008 0.000 0.287 246 T C -1.425 173.110 174.700 -0.275 0.000 1.003 246 T CA -0.504 61.516 62.100 -0.133 0.000 0.977 246 T CB 0.618 69.351 68.868 -0.224 0.000 0.996 246 T HN 0.294 nan 8.240 nan 0.000 0.448 247 W N 2.416 123.635 121.300 -0.135 0.000 2.702 247 W HA 0.609 5.274 4.660 0.008 0.000 0.331 247 W C -0.613 175.829 176.519 -0.128 0.000 1.049 247 W CA -1.008 56.261 57.345 -0.128 0.000 1.230 247 W CB 1.001 30.412 29.460 -0.082 0.000 1.408 247 W HN 0.386 nan 8.180 nan 0.000 0.492 248 L N 4.603 125.888 121.223 0.104 0.000 2.367 248 L HA 0.469 4.814 4.340 0.008 0.000 0.275 248 L C 0.533 177.423 176.870 0.033 0.000 1.129 248 L CA -0.245 54.627 54.840 0.052 0.000 0.839 248 L CB 0.078 42.162 42.059 0.042 0.000 1.133 248 L HN 0.385 nan 8.230 nan 0.000 0.453 249 R N 2.609 123.025 120.500 -0.141 0.000 2.750 249 R HA 0.697 5.042 4.340 0.008 0.000 0.281 249 R C -1.332 174.752 176.300 -0.361 0.000 0.972 249 R CA -0.921 55.017 56.100 -0.270 0.000 0.912 249 R CB 2.777 32.817 30.300 -0.433 0.000 1.187 249 R HN 0.310 nan 8.270 nan 0.000 0.464 250 V N 2.987 122.726 119.914 -0.292 0.000 2.376 250 V HA 0.176 4.301 4.120 0.008 0.000 0.287 250 V C -0.220 175.742 176.094 -0.220 0.000 1.015 250 V CA -0.917 61.139 62.300 -0.407 0.000 0.834 250 V CB 1.185 32.709 31.823 -0.499 0.000 1.001 250 V HN 0.738 nan 8.190 nan 0.000 0.428 251 K N 4.056 124.401 120.400 -0.091 0.000 3.148 251 K HA -0.224 4.100 4.320 0.008 0.000 0.267 251 K C 1.148 177.783 176.600 0.058 0.000 0.996 251 K CA 0.943 57.250 56.287 0.033 0.000 0.737 251 K CB -1.430 31.044 32.500 -0.044 0.000 1.308 251 K HN 1.534 nan 8.250 nan 0.000 0.470 252 G N -0.465 108.435 108.800 0.168 0.000 2.253 252 G HA2 -0.393 3.571 3.960 0.008 0.000 0.251 252 G HA3 -0.393 3.571 3.960 0.008 0.000 0.251 252 G C -0.083 174.807 174.900 -0.015 0.000 0.998 252 G CA 0.375 45.534 45.100 0.098 0.000 0.621 252 G HN 0.554 nan 8.290 nan 0.000 0.524 253 E N 1.307 121.472 120.200 -0.059 0.000 2.167 253 E HA 0.479 4.833 4.350 0.008 0.000 0.284 253 E C 0.221 176.754 176.600 -0.113 0.000 1.016 253 E CA -0.726 55.620 56.400 -0.091 0.000 0.817 253 E CB 0.348 30.002 29.700 -0.076 0.000 1.080 253 E HN 0.293 nan 8.360 nan 0.000 0.397 254 K N 2.850 123.155 120.400 -0.159 0.000 2.447 254 K HA 0.015 4.339 4.320 0.008 0.000 0.281 254 K C 0.783 177.384 176.600 0.003 0.000 1.031 254 K CA 0.095 56.298 56.287 -0.140 0.000 1.019 254 K CB 0.958 33.170 32.500 -0.480 0.000 0.918 254 K HN 0.505 nan 8.250 nan 0.000 0.476 255 V N 1.272 121.248 119.914 0.102 0.000 3.539 255 V HA 0.316 4.440 4.120 0.008 0.000 0.262 255 V C -0.253 175.941 176.094 0.166 0.000 1.381 255 V CA -0.180 62.182 62.300 0.103 0.000 1.060 255 V CB 0.222 32.072 31.823 0.044 0.000 0.842 255 V HN 0.492 nan 8.190 nan 0.000 0.445 256 L N 1.738 123.107 121.223 0.245 0.000 2.641 256 L HA 0.582 4.927 4.340 0.008 0.000 0.261 256 L C -1.286 175.539 176.870 -0.075 0.000 0.926 256 L CA -0.246 54.653 54.840 0.099 0.000 0.917 256 L CB 1.989 44.052 42.059 0.007 0.000 1.361 256 L HN 0.199 nan 8.230 nan 0.000 0.417 257 N N 3.022 121.388 118.700 -0.557 0.000 2.408 257 N HA 0.144 4.888 4.740 0.008 0.000 0.257 257 N C 1.040 176.180 175.510 -0.615 0.000 1.064 257 N CA 0.198 52.548 53.050 -1.167 0.000 0.952 257 N CB 1.726 39.282 38.487 -1.551 0.000 1.093 257 N HN 0.623 nan 8.380 nan 0.000 0.490 258 V N 2.684 122.242 119.914 -0.593 0.000 3.383 258 V HA -0.136 3.989 4.120 0.008 0.000 0.272 258 V C 1.862 177.766 176.094 -0.316 0.000 1.181 258 V CA 1.476 63.481 62.300 -0.490 0.000 1.171 258 V CB -0.963 30.275 31.823 -0.976 0.000 0.800 258 V HN 0.756 nan 8.190 nan 0.000 0.515 259 K N 0.110 120.319 120.400 -0.319 0.000 2.362 259 K HA -0.065 4.260 4.320 0.008 0.000 0.200 259 K C 1.592 178.110 176.600 -0.137 0.000 1.046 259 K CA 1.344 57.516 56.287 -0.192 0.000 0.952 259 K CB -0.209 32.172 32.500 -0.198 0.000 0.753 259 K HN 0.451 nan 8.250 nan 0.000 0.466 260 E N 0.811 120.914 120.200 -0.161 0.000 2.358 260 E HA 0.044 4.399 4.350 0.008 0.000 0.195 260 E C 0.595 177.165 176.600 -0.050 0.000 1.010 260 E CA 0.544 56.886 56.400 -0.098 0.000 0.856 260 E CB -0.041 29.598 29.700 -0.102 0.000 0.795 260 E HN 0.460 nan 8.360 nan 0.000 0.504 261 M N 0.842 120.417 119.600 -0.042 0.000 2.250 261 M HA 0.087 4.572 4.480 0.008 0.000 0.344 261 M C 1.298 177.617 176.300 0.032 0.000 1.150 261 M CA -0.225 55.089 55.300 0.023 0.000 1.147 261 M CB 0.902 33.549 32.600 0.078 0.000 1.498 261 M HN -0.329 nan 8.290 nan 0.000 0.461 262 K N 1.654 122.074 120.400 0.034 0.000 2.186 262 K HA 0.228 4.552 4.320 0.008 0.000 0.202 262 K C 0.569 177.177 176.600 0.012 0.000 1.052 262 K CA 0.695 56.986 56.287 0.006 0.000 0.965 262 K CB -0.252 32.228 32.500 -0.033 0.000 0.746 262 K HN 0.605 nan 8.250 nan 0.000 0.457 263 L N 1.979 123.227 121.223 0.041 0.000 2.467 263 L HA 0.028 4.373 4.340 0.008 0.000 0.270 263 L C 0.324 177.217 176.870 0.038 0.000 1.205 263 L CA 0.126 54.980 54.840 0.023 0.000 0.828 263 L CB 0.645 42.739 42.059 0.058 0.000 1.101 263 L HN 0.048 nan 8.230 nan 0.000 0.479 264 S N -0.075 115.563 115.700 -0.104 0.000 2.704 264 S HA 0.885 5.359 4.470 0.008 0.000 0.296 264 S C -0.204 174.069 174.600 -0.545 0.000 1.138 264 S CA -0.303 57.790 58.200 -0.179 0.000 0.875 264 S CB 1.935 65.106 63.200 -0.049 0.000 1.151 264 S HN 1.109 nan 8.310 nan 0.000 0.500 265 G N 0.527 108.944 108.800 -0.638 0.000 2.785 265 G HA2 -0.131 3.834 3.960 0.008 0.000 0.686 265 G HA3 -0.131 3.834 3.960 0.008 0.000 0.686 265 G C 0.092 174.414 174.900 -0.964 0.000 1.155 265 G CA 0.067 44.801 45.100 -0.609 0.000 0.760 265 G HN 0.773 nan 8.290 nan 0.000 0.624 266 Q N 0.677 120.218 119.800 -0.431 0.000 2.096 266 Q HA -0.215 4.130 4.340 0.008 0.000 0.204 266 Q C 2.314 178.216 176.000 -0.163 0.000 0.982 266 Q CA 2.623 58.312 55.803 -0.190 0.000 0.850 266 Q CB -0.166 28.604 28.738 0.054 0.000 0.901 266 Q HN 1.107 nan 8.270 nan 0.000 0.422 267 H N -1.056 117.912 119.070 -0.169 0.000 2.456 267 H HA 0.033 4.593 4.556 0.007 0.000 0.296 267 H C 1.440 176.698 175.328 -0.117 0.000 1.079 267 H CA 1.462 57.454 56.048 -0.093 0.000 1.322 267 H CB -0.117 29.588 29.762 -0.094 0.000 1.388 267 H HN 0.239 nan 8.280 nan 0.000 0.538 268 N N -0.098 118.122 118.700 -0.799 0.000 2.416 268 N HA -0.091 4.654 4.740 0.008 0.000 0.177 268 N C 0.786 176.162 175.510 -0.224 0.000 1.036 268 N CA 0.686 53.422 53.050 -0.525 0.000 0.901 268 N CB -0.094 38.031 38.487 -0.604 0.000 0.976 268 N HN 0.420 nan 8.380 nan 0.000 0.444 269 Y N 1.216 121.455 120.300 -0.103 0.000 2.286 269 Y HA -0.048 4.507 4.550 0.007 0.000 0.293 269 Y C 2.705 178.603 175.900 -0.004 0.000 1.124 269 Y CA 0.999 59.076 58.100 -0.038 0.000 1.178 269 Y CB -1.278 37.175 38.460 -0.011 0.000 1.010 269 Y HN 0.125 nan 8.280 nan 0.000 0.536 270 T N -2.057 112.595 114.554 0.164 0.000 2.867 270 T HA -0.139 4.216 4.350 0.008 0.000 0.268 270 T C 1.710 176.362 174.700 -0.080 0.000 1.057 270 T CA 1.349 63.544 62.100 0.158 0.000 1.136 270 T CB -0.400 68.656 68.868 0.313 0.000 0.874 270 T HN 0.157 nan 8.240 nan 0.000 0.466 271 N N 2.407 121.060 118.700 -0.077 0.000 2.069 271 N HA 0.017 4.762 4.740 0.008 0.000 0.191 271 N C 2.270 177.671 175.510 -0.182 0.000 1.031 271 N CA 1.663 54.617 53.050 -0.159 0.000 0.852 271 N CB -0.913 37.523 38.487 -0.086 0.000 1.018 271 N HN 0.624 nan 8.380 nan 0.000 0.423 272 A N 1.228 124.003 122.820 -0.075 0.000 1.902 272 A HA -0.072 4.253 4.320 0.008 0.000 0.217 272 A C 2.406 179.941 177.584 -0.081 0.000 1.181 272 A CA 0.963 52.973 52.037 -0.045 0.000 0.623 272 A CB -0.776 18.260 19.000 0.060 0.000 0.818 272 A HN 0.231 nan 8.150 nan 0.000 0.443 273 L N -0.801 120.381 121.223 -0.069 0.000 2.012 273 L HA -0.239 4.106 4.340 0.008 0.000 0.210 273 L C 3.124 179.789 176.870 -0.342 0.000 1.073 273 L CA 1.228 56.032 54.840 -0.061 0.000 0.748 273 L CB -0.638 41.481 42.059 0.100 0.000 0.891 273 L HN 0.450 nan 8.230 nan 0.000 0.431 274 A N -0.040 122.375 122.820 -0.675 0.000 1.902 274 A HA -0.165 4.159 4.320 0.008 0.000 0.217 274 A C 2.526 179.843 177.584 -0.445 0.000 1.181 274 A CA 1.776 53.300 52.037 -0.855 0.000 0.623 274 A CB -0.710 17.614 19.000 -1.127 0.000 0.818 274 A HN 0.413 nan 8.150 nan 0.000 0.443 275 A N -0.750 121.876 122.820 -0.324 0.000 1.930 275 A HA 0.001 4.325 4.320 0.008 0.000 0.217 275 A C 2.127 179.603 177.584 -0.181 0.000 1.175 275 A CA 1.676 53.583 52.037 -0.217 0.000 0.627 275 A CB -0.542 18.348 19.000 -0.183 0.000 0.815 275 A HN 0.618 nan 8.150 nan 0.000 0.443 276 L N -0.404 120.718 121.223 -0.168 0.000 2.093 276 L HA 0.025 4.370 4.340 0.008 0.000 0.208 276 L C 2.685 179.447 176.870 -0.181 0.000 1.085 276 L CA 1.882 56.673 54.840 -0.082 0.000 0.755 276 L CB -0.707 41.387 42.059 0.058 0.000 0.904 276 L HN 0.341 nan 8.230 nan 0.000 0.435 277 A N -0.320 122.159 122.820 -0.568 0.000 1.883 277 A HA -0.219 4.106 4.320 0.008 0.000 0.217 277 A C 2.253 179.668 177.584 -0.281 0.000 1.186 277 A CA 2.247 53.797 52.037 -0.812 0.000 0.624 277 A CB -0.979 17.439 19.000 -0.969 0.000 0.822 277 A HN 0.483 nan 8.150 nan 0.000 0.444 278 L N -0.903 120.194 121.223 -0.209 0.000 2.017 278 L HA -0.192 4.153 4.340 0.008 0.000 0.208 278 L C 3.135 179.970 176.870 -0.058 0.000 1.073 278 L CA 1.154 55.935 54.840 -0.100 0.000 0.745 278 L CB -0.607 41.397 42.059 -0.092 0.000 0.894 278 L HN 0.437 nan 8.230 nan 0.000 0.432 279 A N -0.183 122.599 122.820 -0.064 0.000 1.908 279 A HA -0.246 4.079 4.320 0.008 0.000 0.218 279 A C 1.942 179.528 177.584 0.003 0.000 1.181 279 A CA 2.073 54.093 52.037 -0.027 0.000 0.627 279 A CB -0.563 18.420 19.000 -0.029 0.000 0.818 279 A HN 0.378 nan 8.150 nan 0.000 0.445 280 D N 0.055 120.467 120.400 0.021 0.000 2.097 280 D HA -0.064 4.581 4.640 0.008 0.000 0.195 280 D C 2.250 178.581 176.300 0.052 0.000 0.989 280 D CA 1.597 55.636 54.000 0.066 0.000 0.827 280 D CB -0.488 40.406 40.800 0.156 0.000 0.966 280 D HN 0.424 nan 8.370 nan 0.000 0.456 281 A N 0.911 123.753 122.820 0.037 0.000 1.933 281 A HA -0.018 4.306 4.320 0.008 0.000 0.218 281 A C 2.179 179.781 177.584 0.030 0.000 1.175 281 A CA 1.891 53.949 52.037 0.036 0.000 0.628 281 A CB -0.505 18.512 19.000 0.027 0.000 0.814 281 A HN 0.227 nan 8.150 nan 0.000 0.444 282 A N -1.879 120.953 122.820 0.021 0.000 2.235 282 A HA 0.399 4.724 4.320 0.008 0.000 0.208 282 A C 1.758 179.354 177.584 0.019 0.000 1.172 282 A CA 1.237 53.286 52.037 0.021 0.000 0.786 282 A CB -0.927 18.081 19.000 0.014 0.000 0.804 282 A HN 1.889 nan 8.150 nan 0.000 0.479 283 G N -1.497 107.316 108.800 0.023 0.000 2.157 283 G HA2 -0.195 3.769 3.960 0.008 0.000 0.239 283 G HA3 -0.195 3.769 3.960 0.008 0.000 0.239 283 G C 0.059 174.970 174.900 0.018 0.000 0.982 283 G CA 0.147 45.260 45.100 0.022 0.000 0.650 283 G HN 0.417 nan 8.290 nan 0.000 0.527 284 L N 2.116 123.348 121.223 0.015 0.000 2.397 284 L HA 0.391 4.736 4.340 0.008 0.000 0.271 284 L C -1.234 175.646 176.870 0.018 0.000 1.148 284 L CA -1.928 52.919 54.840 0.011 0.000 0.825 284 L CB 0.492 42.553 42.059 0.004 0.000 1.117 284 L HN -0.020 nan 8.230 nan 0.000 0.456 285 P HA 0.024 nan 4.420 nan 0.000 0.267 285 P C -0.006 177.307 177.300 0.023 0.000 1.205 285 P CA -0.150 62.961 63.100 0.019 0.000 0.765 285 P CB 0.776 32.485 31.700 0.014 0.000 0.828 286 R N 3.183 123.701 120.500 0.030 0.000 2.115 286 R HA -0.113 4.231 4.340 0.008 0.000 0.230 286 R C 1.990 178.308 176.300 0.031 0.000 1.111 286 R CA 1.555 57.677 56.100 0.037 0.000 0.976 286 R CB -0.524 29.803 30.300 0.046 0.000 0.870 286 R HN 0.551 nan 8.270 nan 0.000 0.445 287 A N 0.402 123.236 122.820 0.025 0.000 1.877 287 A HA -0.177 4.148 4.320 0.008 0.000 0.216 287 A C 2.138 179.734 177.584 0.020 0.000 1.186 287 A CA 1.964 54.015 52.037 0.022 0.000 0.620 287 A CB -0.622 18.389 19.000 0.019 0.000 0.822 287 A HN 0.558 nan 8.150 nan 0.000 0.443 288 S N -0.393 115.318 115.700 0.017 0.000 2.406 288 S HA -0.093 4.381 4.470 0.008 0.000 0.228 288 S C 2.002 176.610 174.600 0.013 0.000 1.020 288 S CA 1.323 59.532 58.200 0.014 0.000 0.965 288 S CB -0.570 62.636 63.200 0.011 0.000 0.798 288 S HN 0.434 nan 8.310 nan 0.000 0.488 289 S N 2.420 118.129 115.700 0.013 0.000 2.370 289 S HA 0.057 4.531 4.470 0.008 0.000 0.226 289 S C 1.783 176.392 174.600 0.015 0.000 1.033 289 S CA 1.360 59.566 58.200 0.010 0.000 1.011 289 S CB -0.588 62.620 63.200 0.014 0.000 0.852 289 S HN 0.449 nan 8.310 nan 0.000 0.457 290 L N 1.113 122.350 121.223 0.023 0.000 2.093 290 L HA -0.081 4.264 4.340 0.008 0.000 0.208 290 L C 2.541 179.425 176.870 0.022 0.000 1.085 290 L CA 1.114 55.969 54.840 0.025 0.000 0.755 290 L CB -0.415 41.662 42.059 0.030 0.000 0.904 290 L HN 0.246 nan 8.230 nan 0.000 0.435 291 K N 0.442 120.855 120.400 0.021 0.000 2.032 291 K HA -0.231 4.094 4.320 0.008 0.000 0.209 291 K C 2.158 178.776 176.600 0.031 0.000 1.048 291 K CA 1.600 57.900 56.287 0.022 0.000 0.927 291 K CB -0.142 32.370 32.500 0.020 0.000 0.712 291 K HN 0.293 nan 8.250 nan 0.000 0.441 292 A N 0.873 123.711 122.820 0.030 0.000 1.972 292 A HA -0.145 4.180 4.320 0.008 0.000 0.219 292 A C 1.934 179.559 177.584 0.069 0.000 1.169 292 A CA 1.067 53.130 52.037 0.043 0.000 0.635 292 A CB -0.454 18.555 19.000 0.015 0.000 0.810 292 A HN 0.267 nan 8.150 nan 0.000 0.446 293 L N 0.462 121.713 121.223 0.048 0.000 2.127 293 L HA -0.141 4.204 4.340 0.008 0.000 0.211 293 L C 2.839 179.761 176.870 0.086 0.000 1.089 293 L CA 2.500 57.380 54.840 0.067 0.000 0.757 293 L CB -1.105 40.977 42.059 0.038 0.000 0.899 293 L HN 0.679 nan 8.230 nan 0.000 0.434 294 T N -5.804 108.784 114.554 0.057 0.000 3.067 294 T HA -0.060 4.295 4.350 0.008 0.000 0.261 294 T C 1.616 176.346 174.700 0.051 0.000 1.110 294 T CA 1.021 63.145 62.100 0.040 0.000 1.113 294 T CB -0.435 68.441 68.868 0.013 0.000 0.917 294 T HN 0.431 nan 8.240 nan 0.000 0.499 295 T N -1.280 113.321 114.554 0.078 0.000 3.040 295 T HA 0.271 4.625 4.350 0.008 0.000 0.252 295 T C 0.396 175.154 174.700 0.097 0.000 1.064 295 T CA -0.570 61.574 62.100 0.072 0.000 1.110 295 T CB -0.676 68.235 68.868 0.071 0.000 0.921 295 T HN 0.294 nan 8.240 nan 0.000 0.480 296 F N 4.556 124.508 119.950 0.003 0.000 2.541 296 F HA 0.332 4.864 4.527 0.008 0.000 0.378 296 F C 1.478 177.282 175.800 0.007 0.000 1.068 296 F CA -0.386 57.617 58.000 0.004 0.000 1.199 296 F CB 0.983 39.984 39.000 0.002 0.000 1.091 296 F HN 0.172 nan 8.300 nan 0.000 0.555 297 T N 2.167 116.322 114.554 -0.666 0.000 3.065 297 T HA 0.547 4.902 4.350 0.008 0.000 0.252 297 T C 0.835 175.139 174.700 -0.660 0.000 1.099 297 T CA 0.232 62.033 62.100 -0.498 0.000 1.063 297 T CB -0.542 68.160 68.868 -0.277 0.000 0.948 297 T HN 1.288 nan 8.240 nan 0.000 0.506 298 G N 0.709 108.682 108.800 -1.378 0.000 2.384 298 G HA2 0.172 4.136 3.960 0.008 0.000 0.668 298 G HA3 0.172 4.136 3.960 0.008 0.000 0.668 298 G C -1.552 173.132 174.900 -0.360 0.000 1.280 298 G CA -0.902 43.757 45.100 -0.736 0.000 0.992 298 G HN 0.454 nan 8.290 nan 0.000 0.512 299 L N 1.130 122.346 121.223 -0.011 0.000 2.330 299 L HA 0.583 4.928 4.340 0.008 0.000 0.271 299 L C -1.828 175.056 176.870 0.024 0.000 1.013 299 L CA -2.139 52.754 54.840 0.089 0.000 0.816 299 L CB 2.214 44.394 42.059 0.201 0.000 1.287 299 L HN 0.433 nan 8.230 nan 0.000 0.435 300 P HA 0.026 nan 4.420 nan 0.000 0.266 300 P C -0.421 176.800 177.300 -0.131 0.000 1.195 300 P CA 0.379 63.353 63.100 -0.211 0.000 0.768 300 P CB 0.253 31.750 31.700 -0.339 0.000 0.838 301 H N -1.852 117.292 119.070 0.124 0.000 3.415 301 H HA -0.164 4.396 4.556 0.007 0.000 0.213 301 H C 0.329 175.702 175.328 0.074 0.000 1.091 301 H CA 0.868 56.996 56.048 0.133 0.000 1.182 301 H CB -1.323 28.623 29.762 0.307 0.000 1.160 301 H HN 0.383 nan 8.280 nan 0.000 0.319 302 R N 0.334 120.917 120.500 0.138 0.000 2.272 302 R HA 0.291 4.636 4.340 0.008 0.000 0.323 302 R C -0.526 175.889 176.300 0.191 0.000 1.002 302 R CA -1.112 55.070 56.100 0.137 0.000 0.900 302 R CB -0.976 29.402 30.300 0.131 0.000 1.151 302 R HN 0.144 nan 8.270 nan 0.000 0.507 303 F N 1.715 121.672 119.950 0.013 0.000 2.861 303 F HA -0.299 4.232 4.527 0.007 0.000 0.230 303 F C -0.113 175.699 175.800 0.019 0.000 1.020 303 F CA 1.358 59.365 58.000 0.011 0.000 0.852 303 F CB -0.116 38.897 39.000 0.022 0.000 0.724 303 F HN 0.658 nan 8.300 nan 0.000 0.843 304 E N 1.317 121.498 120.200 -0.032 0.000 2.130 304 E HA 0.399 4.753 4.350 0.008 0.000 0.284 304 E C -0.441 176.136 176.600 -0.038 0.000 1.018 304 E CA -0.683 55.705 56.400 -0.020 0.000 0.817 304 E CB 0.937 30.622 29.700 -0.026 0.000 1.078 304 E HN 0.146 nan 8.360 nan 0.000 0.396 305 V N 6.321 126.224 119.914 -0.019 0.000 2.421 305 V HA -0.039 4.086 4.120 0.008 0.000 0.271 305 V C 1.270 177.395 176.094 0.053 0.000 1.031 305 V CA 0.139 62.451 62.300 0.020 0.000 1.032 305 V CB 0.533 32.376 31.823 0.035 0.000 1.009 305 V HN 0.706 nan 8.190 nan 0.000 0.477 306 V N 3.014 122.994 119.914 0.109 0.000 3.590 306 V HA 0.465 4.589 4.120 0.008 0.000 0.265 306 V C 0.139 176.243 176.094 0.016 0.000 1.239 306 V CA 0.280 62.620 62.300 0.067 0.000 1.117 306 V CB 0.367 32.253 31.823 0.105 0.000 0.818 306 V HN 0.562 nan 8.190 nan 0.000 0.451 307 L N 0.672 121.943 121.223 0.081 0.000 2.641 307 L HA 0.624 4.969 4.340 0.008 0.000 0.261 307 L C -1.270 175.728 176.870 0.214 0.000 0.926 307 L CA -0.471 54.399 54.840 0.050 0.000 0.917 307 L CB 2.066 44.023 42.059 -0.170 0.000 1.361 307 L HN 0.306 nan 8.230 nan 0.000 0.417 308 E N 4.523 124.823 120.200 0.168 0.000 2.220 308 E HA 0.432 4.786 4.350 0.008 0.000 0.256 308 E C -1.743 175.001 176.600 0.240 0.000 0.881 308 E CA -0.464 56.059 56.400 0.206 0.000 0.766 308 E CB 0.744 30.522 29.700 0.130 0.000 1.187 308 E HN 0.749 nan 8.360 nan 0.000 0.419 309 H N 4.724 123.876 119.070 0.135 0.000 3.087 309 H HA 0.172 4.736 4.556 0.013 0.000 0.348 309 H C -0.648 174.743 175.328 0.105 0.000 1.092 309 H CA -0.546 55.554 56.048 0.086 0.000 1.285 309 H CB 0.895 30.681 29.762 0.041 0.000 1.875 309 H HN 0.656 nan 8.280 nan 0.000 0.512 310 N N 2.801 121.277 118.700 -0.372 0.000 2.747 310 N HA -0.164 4.580 4.740 0.008 0.000 0.249 310 N C 0.915 176.372 175.510 -0.089 0.000 1.107 310 N CA 1.634 54.509 53.050 -0.291 0.000 0.707 310 N CB -1.524 36.738 38.487 -0.374 0.000 1.054 310 N HN 1.058 nan 8.380 nan 0.000 0.555 311 G N -2.384 106.400 108.800 -0.027 0.000 2.160 311 G HA2 -0.274 3.690 3.960 0.008 0.000 0.251 311 G HA3 -0.274 3.690 3.960 0.008 0.000 0.251 311 G C -0.128 174.781 174.900 0.015 0.000 1.008 311 G CA 0.442 45.546 45.100 0.005 0.000 0.724 311 G HN 0.604 nan 8.290 nan 0.000 0.514 312 V N -0.113 119.830 119.914 0.048 0.000 2.588 312 V HA 0.600 4.724 4.120 0.008 0.000 0.304 312 V C 0.445 176.592 176.094 0.089 0.000 1.042 312 V CA -1.042 61.268 62.300 0.016 0.000 0.877 312 V CB 1.805 33.620 31.823 -0.014 0.000 0.996 312 V HN 0.351 nan 8.190 nan 0.000 0.425 313 R N 3.050 123.548 120.500 -0.003 0.000 2.265 313 R HA 0.437 4.781 4.340 0.008 0.000 0.319 313 R C -1.608 174.670 176.300 -0.037 0.000 1.006 313 R CA -0.317 55.823 56.100 0.067 0.000 0.880 313 R CB 1.280 31.602 30.300 0.036 0.000 1.077 313 R HN 0.637 nan 8.270 nan 0.000 0.454 314 W N 4.878 126.195 121.300 0.029 0.000 2.329 314 W HA 0.440 5.103 4.660 0.004 0.000 0.312 314 W C -0.320 176.285 176.519 0.143 0.000 1.054 314 W CA -0.338 57.067 57.345 0.100 0.000 1.245 314 W CB 0.712 30.159 29.460 -0.021 0.000 1.255 314 W HN 0.278 nan 8.180 nan 0.000 0.436 315 I N 3.962 124.697 120.570 0.275 0.000 2.389 315 I HA 0.126 4.300 4.170 0.008 0.000 0.288 315 I C -0.085 175.953 176.117 -0.131 0.000 0.999 315 I CA -1.009 60.259 61.300 -0.053 0.000 1.129 315 I CB 1.400 39.095 38.000 -0.508 0.000 1.288 315 I HN 0.289 nan 8.210 nan 0.000 0.444 316 N N 4.846 123.520 118.700 -0.043 0.000 2.482 316 N HA 0.066 4.810 4.740 0.008 0.000 0.242 316 N C -0.500 174.932 175.510 -0.130 0.000 1.100 316 N CA 0.047 53.006 53.050 -0.151 0.000 0.946 316 N CB 0.470 39.042 38.487 0.142 0.000 1.227 316 N HN 0.449 nan 8.380 nan 0.000 0.508 317 D N 1.411 121.693 120.400 -0.197 0.000 3.008 317 D HA 0.131 4.775 4.640 0.008 0.000 0.312 317 D C 0.913 177.173 176.300 -0.066 0.000 1.361 317 D CA -0.093 53.872 54.000 -0.059 0.000 0.858 317 D CB 0.043 40.846 40.800 0.005 0.000 1.098 317 D HN 0.388 nan 8.370 nan 0.000 0.482 318 S N 0.093 115.773 115.700 -0.035 0.000 2.442 318 S HA -0.145 4.329 4.470 0.008 0.000 0.236 318 S C 1.795 176.355 174.600 -0.067 0.000 1.007 318 S CA 1.027 59.214 58.200 -0.021 0.000 0.965 318 S CB -0.029 63.198 63.200 0.045 0.000 0.773 318 S HN 0.303 nan 8.310 nan 0.000 0.504 319 K N 0.699 121.008 120.400 -0.151 0.000 2.442 319 K HA 0.130 4.455 4.320 0.008 0.000 0.198 319 K C 0.512 176.911 176.600 -0.336 0.000 1.042 319 K CA 0.565 56.530 56.287 -0.538 0.000 0.958 319 K CB -0.204 32.063 32.500 -0.388 0.000 0.766 319 K HN 0.393 nan 8.250 nan 0.000 0.474 320 A N 1.691 124.410 122.820 -0.168 0.000 2.785 320 A HA 0.030 4.355 4.320 0.008 0.000 0.294 320 A C 0.702 178.220 177.584 -0.110 0.000 1.597 320 A CA 0.045 52.010 52.037 -0.120 0.000 1.283 320 A CB -0.433 18.523 19.000 -0.073 0.000 1.088 320 A HN 0.342 nan 8.150 nan 0.000 0.568 321 T N -1.309 113.168 114.554 -0.128 0.000 3.092 321 T HA 0.239 4.594 4.350 0.008 0.000 0.258 321 T C 0.238 174.893 174.700 -0.075 0.000 1.031 321 T CA 0.060 62.109 62.100 -0.083 0.000 0.925 321 T CB -0.696 68.125 68.868 -0.079 0.000 1.036 321 T HN 0.743 nan 8.240 nan 0.000 0.544 322 N N -1.202 117.451 118.700 -0.078 0.000 2.774 322 N HA 0.417 5.161 4.740 0.008 0.000 0.264 322 N C 0.471 175.967 175.510 -0.023 0.000 1.415 322 N CA -1.009 52.002 53.050 -0.064 0.000 0.815 322 N CB 1.066 39.475 38.487 -0.130 0.000 1.514 322 N HN -0.191 nan 8.380 nan 0.000 0.523 323 V N -0.077 119.842 119.914 0.009 0.000 2.427 323 V HA -0.031 4.094 4.120 0.008 0.000 0.248 323 V C 2.178 178.275 176.094 0.004 0.000 1.051 323 V CA 2.438 64.766 62.300 0.047 0.000 1.048 323 V CB -1.233 30.639 31.823 0.081 0.000 0.666 323 V HN 0.895 nan 8.190 nan 0.000 0.456 324 G N -1.368 107.422 108.800 -0.018 0.000 2.402 324 G HA2 -0.265 3.699 3.960 0.008 0.000 0.216 324 G HA3 -0.265 3.699 3.960 0.008 0.000 0.216 324 G C 1.919 176.770 174.900 -0.083 0.000 1.162 324 G CA 1.152 46.233 45.100 -0.032 0.000 0.777 324 G HN 0.472 nan 8.290 nan 0.000 0.539 325 S N -0.061 115.587 115.700 -0.086 0.000 2.356 325 S HA -0.121 4.354 4.470 0.008 0.000 0.223 325 S C 2.543 177.061 174.600 -0.137 0.000 1.032 325 S CA 2.148 60.276 58.200 -0.119 0.000 1.005 325 S CB -0.539 62.601 63.200 -0.100 0.000 0.867 325 S HN 0.379 nan 8.310 nan 0.000 0.449 326 T N 1.783 116.277 114.554 -0.100 0.000 2.833 326 T HA -0.037 4.318 4.350 0.008 0.000 0.269 326 T C 1.657 176.245 174.700 -0.185 0.000 1.054 326 T CA 1.181 63.219 62.100 -0.103 0.000 1.135 326 T CB -0.296 68.535 68.868 -0.061 0.000 0.869 326 T HN 0.501 nan 8.240 nan 0.000 0.466 327 E N 0.833 120.920 120.200 -0.188 0.000 2.077 327 E HA -0.105 4.250 4.350 0.008 0.000 0.193 327 E C 2.504 178.868 176.600 -0.393 0.000 0.989 327 E CA 1.005 57.212 56.400 -0.321 0.000 0.800 327 E CB -0.172 29.468 29.700 -0.100 0.000 0.746 327 E HN 0.483 nan 8.360 nan 0.000 0.452 328 A N 1.062 123.678 122.820 -0.340 0.000 2.019 328 A HA -0.077 4.248 4.320 0.008 0.000 0.219 328 A C 2.269 179.555 177.584 -0.496 0.000 1.164 328 A CA 1.513 53.245 52.037 -0.508 0.000 0.644 328 A CB -0.348 18.196 19.000 -0.759 0.000 0.805 328 A HN 0.301 nan 8.150 nan 0.000 0.449 329 A N -0.396 122.220 122.820 -0.341 0.000 1.897 329 A HA 0.106 4.431 4.320 0.008 0.000 0.215 329 A C 2.074 179.527 177.584 -0.219 0.000 1.181 329 A CA 1.310 53.205 52.037 -0.237 0.000 0.620 329 A CB -0.401 18.635 19.000 0.059 0.000 0.821 329 A HN 0.445 nan 8.150 nan 0.000 0.443 330 L N -0.561 120.479 121.223 -0.304 0.000 2.307 330 L HA 0.026 4.371 4.340 0.008 0.000 0.211 330 L C 0.748 177.385 176.870 -0.387 0.000 1.099 330 L CA 0.028 54.663 54.840 -0.341 0.000 0.816 330 L CB -0.420 41.325 42.059 -0.523 0.000 0.952 330 L HN 0.309 nan 8.230 nan 0.000 0.455 331 N N 1.089 119.502 118.700 -0.478 0.000 2.416 331 N HA 0.152 4.896 4.740 0.008 0.000 0.265 331 N C 0.880 176.353 175.510 -0.062 0.000 1.195 331 N CA 1.012 53.928 53.050 -0.223 0.000 0.943 331 N CB 0.624 39.017 38.487 -0.156 0.000 1.115 331 N HN 0.319 nan 8.380 nan 0.000 0.481 332 G N 2.459 111.279 108.800 0.033 0.000 2.143 332 G HA2 -0.273 3.692 3.960 0.008 0.000 0.249 332 G HA3 -0.273 3.692 3.960 0.008 0.000 0.249 332 G C -0.016 174.906 174.900 0.037 0.000 0.981 332 G CA 0.253 45.379 45.100 0.042 0.000 0.665 332 G HN 0.642 nan 8.290 nan 0.000 0.528 333 L N 1.439 122.672 121.223 0.018 0.000 2.410 333 L HA 0.648 4.993 4.340 0.008 0.000 0.273 333 L C 0.470 177.395 176.870 0.092 0.000 1.144 333 L CA -0.922 53.941 54.840 0.039 0.000 0.863 333 L CB 0.408 42.483 42.059 0.026 0.000 1.140 333 L HN 0.352 nan 8.230 nan 0.000 0.463 334 H N 4.180 123.275 119.070 0.042 0.000 2.517 334 H HA 0.627 5.188 4.556 0.008 0.000 0.317 334 H C -1.338 174.021 175.328 0.051 0.000 1.080 334 H CA -0.533 55.541 56.048 0.043 0.000 1.301 334 H CB 1.023 30.808 29.762 0.039 0.000 1.425 334 H HN 0.427 nan 8.280 nan 0.000 0.471 335 V N 6.212 125.760 119.914 -0.610 0.000 2.577 335 V HA 0.098 4.223 4.120 0.008 0.000 0.303 335 V C 0.343 176.137 176.094 -0.501 0.000 1.042 335 V CA -0.716 61.318 62.300 -0.443 0.000 0.872 335 V CB 1.956 33.670 31.823 -0.182 0.000 0.998 335 V HN 0.914 nan 8.190 nan 0.000 0.423 336 D N 3.108 123.294 120.400 -0.356 0.000 2.123 336 D HA -0.001 4.644 4.640 0.008 0.000 0.200 336 D C 1.307 177.564 176.300 -0.071 0.000 0.976 336 D CA 1.634 55.549 54.000 -0.142 0.000 0.831 336 D CB 0.574 41.366 40.800 -0.013 0.000 0.974 336 D HN 0.707 nan 8.370 nan 0.000 0.469 337 G N -0.214 108.545 108.800 -0.069 0.000 3.374 337 G HA2 0.206 4.170 3.960 0.008 0.000 0.200 337 G HA3 0.206 4.170 3.960 0.008 0.000 0.200 337 G C -0.138 174.721 174.900 -0.068 0.000 1.801 337 G CA -0.039 45.034 45.100 -0.044 0.000 0.842 337 G HN 0.015 nan 8.290 nan 0.000 0.688 338 T N 0.751 115.262 114.554 -0.072 0.000 2.829 338 T HA 0.469 4.823 4.350 0.008 0.000 0.282 338 T C -0.789 173.790 174.700 -0.201 0.000 0.990 338 T CA -0.215 61.786 62.100 -0.165 0.000 1.028 338 T CB 1.752 70.472 68.868 -0.247 0.000 0.951 338 T HN 0.314 nan 8.240 nan 0.000 0.460 339 L N 4.566 125.666 121.223 -0.204 0.000 2.265 339 L HA 0.307 4.652 4.340 0.008 0.000 0.288 339 L C -0.342 176.400 176.870 -0.214 0.000 1.058 339 L CA -0.109 54.650 54.840 -0.135 0.000 0.809 339 L CB 0.138 42.157 42.059 -0.066 0.000 1.179 339 L HN 0.631 nan 8.230 nan 0.000 0.429 340 H N 6.561 125.648 119.070 0.028 0.000 2.685 340 H HA 0.271 4.829 4.556 0.003 0.000 0.286 340 H C -0.851 174.578 175.328 0.169 0.000 1.102 340 H CA -0.733 55.426 56.048 0.186 0.000 1.254 340 H CB 1.348 31.157 29.762 0.079 0.000 1.397 340 H HN 0.441 nan 8.280 nan 0.000 0.473 341 L N 4.882 126.260 121.223 0.257 0.000 2.264 341 L HA 0.283 4.628 4.340 0.008 0.000 0.289 341 L C -0.982 176.041 176.870 0.255 0.000 1.044 341 L CA -0.472 54.469 54.840 0.168 0.000 0.807 341 L CB 0.698 42.796 42.059 0.064 0.000 1.192 341 L HN 0.387 nan 8.230 nan 0.000 0.425 342 L N 6.558 127.916 121.223 0.225 0.000 2.264 342 L HA 0.515 4.860 4.340 0.008 0.000 0.289 342 L C -0.566 176.419 176.870 0.192 0.000 1.044 342 L CA 0.065 55.092 54.840 0.311 0.000 0.807 342 L CB 1.079 43.345 42.059 0.344 0.000 1.192 342 L HN 0.532 nan 8.230 nan 0.000 0.425 343 L N 3.006 124.289 121.223 0.101 0.000 2.354 343 L HA 1.014 5.358 4.340 0.008 0.000 0.269 343 L C 0.198 176.742 176.870 -0.543 0.000 1.005 343 L CA -0.584 54.157 54.840 -0.166 0.000 0.819 343 L CB 2.146 44.078 42.059 -0.212 0.000 1.311 343 L HN 0.716 nan 8.230 nan 0.000 0.423 344 G N 0.319 108.678 108.800 -0.735 0.000 2.347 344 G HA2 0.513 4.478 3.960 0.008 0.000 0.303 344 G HA3 0.513 4.478 3.960 0.008 0.000 0.303 344 G C -0.724 173.762 174.900 -0.689 0.000 1.481 344 G CA 0.246 44.704 45.100 -1.069 0.000 0.914 344 G HN 1.121 nan 8.290 nan 0.000 0.638 345 G N -0.330 108.239 108.800 -0.385 0.000 2.297 345 G HA2 0.403 4.367 3.960 0.008 0.000 0.209 345 G HA3 0.403 4.367 3.960 0.008 0.000 0.209 345 G C -1.450 173.457 174.900 0.012 0.000 1.267 345 G CA 0.385 45.450 45.100 -0.058 0.000 1.127 345 G HN 1.309 nan 8.290 nan 0.000 0.498 346 D N 1.181 121.626 120.400 0.075 0.000 2.380 346 D HA 0.499 5.143 4.640 0.008 0.000 0.230 346 D C 1.464 177.831 176.300 0.112 0.000 1.154 346 D CA 0.620 54.675 54.000 0.092 0.000 0.859 346 D CB 0.744 41.602 40.800 0.096 0.000 1.045 346 D HN 0.842 nan 8.370 nan 0.000 0.495 347 G N 2.830 111.733 108.800 0.172 0.000 2.848 347 G HA2 -0.135 3.829 3.960 0.008 0.000 0.208 347 G HA3 -0.135 3.829 3.960 0.008 0.000 0.208 347 G C 0.764 175.675 174.900 0.018 0.000 1.152 347 G CA -0.152 45.090 45.100 0.236 0.000 0.789 347 G HN 0.724 nan 8.290 nan 0.000 0.531 348 K N -0.662 119.750 120.400 0.021 0.000 3.069 348 K HA -0.216 4.109 4.320 0.008 0.000 0.267 348 K C 0.960 177.519 176.600 -0.068 0.000 1.082 348 K CA 0.433 56.718 56.287 -0.004 0.000 0.782 348 K CB -1.742 30.762 32.500 0.005 0.000 1.230 348 K HN 0.228 nan 8.250 nan 0.000 0.488 349 S N -2.840 112.797 115.700 -0.105 0.000 3.490 349 S HA -0.235 4.239 4.470 0.008 0.000 0.301 349 S C 0.312 174.760 174.600 -0.252 0.000 1.233 349 S CA 0.707 58.816 58.200 -0.152 0.000 0.914 349 S CB -0.912 62.233 63.200 -0.090 0.000 1.047 349 S HN 0.776 nan 8.310 nan 0.000 0.602 350 A N 1.028 123.613 122.820 -0.392 0.000 2.351 350 A HA 0.497 4.822 4.320 0.008 0.000 0.257 350 A C 0.161 177.350 177.584 -0.658 0.000 1.087 350 A CA -0.094 51.662 52.037 -0.469 0.000 0.798 350 A CB 0.282 19.018 19.000 -0.441 0.000 1.033 350 A HN 0.354 nan 8.150 nan 0.000 0.488 351 D N 0.596 120.754 120.400 -0.402 0.000 2.325 351 D HA 0.347 4.991 4.640 0.008 0.000 0.251 351 D C -0.127 176.023 176.300 -0.249 0.000 1.196 351 D CA -0.141 53.676 54.000 -0.304 0.000 0.866 351 D CB 0.050 40.767 40.800 -0.139 0.000 1.101 351 D HN 0.278 nan 8.370 nan 0.000 0.476 352 F N 1.353 121.290 119.950 -0.022 0.000 2.789 352 F HA 0.002 4.534 4.527 0.009 0.000 0.300 352 F C 2.574 178.370 175.800 -0.007 0.000 1.132 352 F CA 0.214 58.202 58.000 -0.019 0.000 1.404 352 F CB -0.509 38.476 39.000 -0.025 0.000 1.114 352 F HN 0.403 nan 8.300 nan 0.000 0.584 353 S N 0.092 115.875 115.700 0.139 0.000 2.442 353 S HA -0.098 4.377 4.470 0.008 0.000 0.236 353 S C -0.624 174.011 174.600 0.059 0.000 1.007 353 S CA 0.572 58.821 58.200 0.082 0.000 0.965 353 S CB -1.534 61.689 63.200 0.037 0.000 0.773 353 S HN 0.180 nan 8.310 nan 0.000 0.504 354 P HA 0.052 nan 4.420 nan 0.000 0.225 354 P C 1.137 178.510 177.300 0.120 0.000 1.148 354 P CA 0.718 63.858 63.100 0.067 0.000 0.779 354 P CB -0.170 31.576 31.700 0.077 0.000 0.780 355 L N -1.623 119.696 121.223 0.160 0.000 2.395 355 L HA 0.001 4.346 4.340 0.008 0.000 0.218 355 L C 2.345 179.304 176.870 0.147 0.000 1.130 355 L CA 0.730 55.711 54.840 0.235 0.000 0.826 355 L CB -0.950 41.203 42.059 0.158 0.000 0.941 355 L HN -0.045 nan 8.230 nan 0.000 0.451 356 A N 1.673 124.522 122.820 0.048 0.000 1.940 356 A HA -0.235 4.090 4.320 0.008 0.000 0.219 356 A C 2.350 179.895 177.584 -0.065 0.000 1.176 356 A CA 1.879 53.915 52.037 -0.002 0.000 0.631 356 A CB -0.553 18.441 19.000 -0.010 0.000 0.814 356 A HN 0.580 nan 8.150 nan 0.000 0.446 357 R N -2.239 118.151 120.500 -0.185 0.000 2.316 357 R HA -0.043 4.302 4.340 0.008 0.000 0.202 357 R C 0.904 176.978 176.300 -0.377 0.000 1.029 357 R CA 1.326 57.242 56.100 -0.306 0.000 1.018 357 R CB -0.475 29.576 30.300 -0.415 0.000 0.888 357 R HN 0.506 nan 8.270 nan 0.000 0.471 358 Y N 0.460 120.754 120.300 -0.010 0.000 2.462 358 Y HA 0.279 4.833 4.550 0.007 0.000 0.261 358 Y C 1.185 177.073 175.900 -0.019 0.000 1.146 358 Y CA -0.027 58.066 58.100 -0.012 0.000 1.283 358 Y CB 0.576 39.030 38.460 -0.011 0.000 1.090 358 Y HN -0.033 nan 8.280 nan 0.000 0.526 359 L N -0.005 121.262 121.223 0.073 0.000 2.872 359 L HA 0.227 4.571 4.340 0.008 0.000 0.245 359 L C -0.100 176.769 176.870 -0.003 0.000 1.211 359 L CA -0.224 54.637 54.840 0.034 0.000 1.013 359 L CB -0.261 41.809 42.059 0.019 0.000 1.326 359 L HN 0.035 nan 8.230 nan 0.000 0.525 360 N N 1.243 119.939 118.700 -0.006 0.000 2.463 360 N HA 0.590 5.335 4.740 0.008 0.000 0.270 360 N C 0.573 176.074 175.510 -0.015 0.000 1.205 360 N CA 0.772 53.812 53.050 -0.018 0.000 0.974 360 N CB 1.537 40.010 38.487 -0.024 0.000 1.197 360 N HN 0.224 nan 8.380 nan 0.000 0.504 361 G N 0.209 108.997 108.800 -0.019 0.000 2.592 361 G HA2 -0.171 3.794 3.960 0.008 0.000 0.684 361 G HA3 -0.171 3.794 3.960 0.008 0.000 0.684 361 G C -0.569 174.315 174.900 -0.027 0.000 1.291 361 G CA -0.513 44.576 45.100 -0.018 0.000 0.891 361 G HN 0.529 nan 8.290 nan 0.000 0.544 362 D N 0.461 120.846 120.400 -0.025 0.000 2.339 362 D HA 0.048 4.693 4.640 0.008 0.000 0.217 362 D C 0.970 177.242 176.300 -0.045 0.000 1.050 362 D CA 0.257 54.239 54.000 -0.031 0.000 0.856 362 D CB 0.152 40.940 40.800 -0.021 0.000 0.922 362 D HN 0.301 nan 8.370 nan 0.000 0.518 363 N N 0.631 119.300 118.700 -0.053 0.000 2.416 363 N HA 0.105 4.850 4.740 0.008 0.000 0.267 363 N C -0.625 174.821 175.510 -0.107 0.000 1.294 363 N CA 0.060 53.065 53.050 -0.075 0.000 0.891 363 N CB 2.119 40.571 38.487 -0.058 0.000 1.238 363 N HN -0.076 nan 8.380 nan 0.000 0.508 364 V N 0.680 120.529 119.914 -0.108 0.000 2.709 364 V HA 0.532 4.656 4.120 0.008 0.000 0.308 364 V C -0.157 175.842 176.094 -0.158 0.000 1.062 364 V CA -0.838 61.389 62.300 -0.122 0.000 0.901 364 V CB 2.846 34.626 31.823 -0.070 0.000 1.003 364 V HN -0.008 nan 8.190 nan 0.000 0.425 365 R N 3.782 124.163 120.500 -0.199 0.000 2.575 365 R HA 0.654 4.998 4.340 0.008 0.000 0.293 365 R C -1.468 174.650 176.300 -0.302 0.000 0.983 365 R CA -0.612 55.332 56.100 -0.261 0.000 0.887 365 R CB 2.366 32.534 30.300 -0.219 0.000 1.184 365 R HN 0.647 nan 8.270 nan 0.000 0.445 366 L N 3.847 124.820 121.223 -0.417 0.000 2.295 366 L HA 0.517 4.861 4.340 0.008 0.000 0.285 366 L C -0.842 175.702 176.870 -0.543 0.000 1.035 366 L CA -0.872 53.787 54.840 -0.301 0.000 0.806 366 L CB 0.885 42.842 42.059 -0.170 0.000 1.214 366 L HN 0.464 nan 8.230 nan 0.000 0.426 367 Y N 1.418 121.770 120.300 0.087 0.000 2.363 367 Y HA 0.385 4.938 4.550 0.004 0.000 0.325 367 Y C -0.241 175.773 175.900 0.190 0.000 0.984 367 Y CA -0.767 57.414 58.100 0.134 0.000 1.248 367 Y CB 1.570 40.127 38.460 0.162 0.000 1.116 367 Y HN 0.453 nan 8.280 nan 0.000 0.470 368 C N 5.240 124.675 119.300 0.225 0.000 2.351 368 C HA 0.819 5.284 4.460 0.008 0.000 0.326 368 C C -0.231 174.865 174.990 0.176 0.000 1.272 368 C CA -1.036 58.037 59.018 0.093 0.000 1.650 368 C CB -0.973 26.741 27.740 -0.044 0.000 2.257 368 C HN 0.789 nan 8.230 nan 0.000 0.505 369 F N 0.291 120.269 119.950 0.047 0.000 2.824 369 F HA 0.965 5.496 4.527 0.007 0.000 0.330 369 F C 0.411 176.248 175.800 0.060 0.000 1.175 369 F CA -0.063 57.977 58.000 0.066 0.000 0.974 369 F CB 0.408 39.469 39.000 0.103 0.000 1.430 369 F HN 1.156 nan 8.300 nan 0.000 0.507 370 G N 0.650 109.594 108.800 0.240 0.000 2.642 370 G HA2 -0.272 3.692 3.960 0.008 0.000 0.231 370 G HA3 -0.272 3.692 3.960 0.008 0.000 0.231 370 G C 0.515 175.442 174.900 0.045 0.000 1.338 370 G CA 0.342 45.525 45.100 0.138 0.000 0.883 370 G HN 1.239 nan 8.290 nan 0.000 0.570 371 R N -0.299 120.223 120.500 0.038 0.000 2.083 371 R HA -0.076 4.269 4.340 0.008 0.000 0.237 371 R C 0.997 177.313 176.300 0.027 0.000 1.137 371 R CA 2.189 58.312 56.100 0.038 0.000 0.951 371 R CB -0.264 30.067 30.300 0.050 0.000 0.851 371 R HN 0.496 nan 8.270 nan 0.000 0.434 372 D N -0.678 119.726 120.400 0.008 0.000 2.525 372 D HA 0.128 4.773 4.640 0.008 0.000 0.229 372 D C 1.031 177.287 176.300 -0.072 0.000 1.202 372 D CA 0.215 54.233 54.000 0.030 0.000 0.828 372 D CB 0.750 41.652 40.800 0.170 0.000 1.008 372 D HN 0.444 nan 8.370 nan 0.000 0.493 373 G N 1.248 109.995 108.800 -0.088 0.000 2.469 373 G HA2 -0.305 3.660 3.960 0.008 0.000 0.219 373 G HA3 -0.305 3.660 3.960 0.008 0.000 0.219 373 G C 1.621 176.483 174.900 -0.064 0.000 1.150 373 G CA 1.029 46.068 45.100 -0.101 0.000 0.763 373 G HN 0.396 nan 8.290 nan 0.000 0.561 374 A N 0.409 123.219 122.820 -0.018 0.000 1.969 374 A HA -0.031 4.294 4.320 0.008 0.000 0.218 374 A C 2.362 179.944 177.584 -0.003 0.000 1.169 374 A CA 1.846 53.881 52.037 -0.004 0.000 0.635 374 A CB -0.309 18.699 19.000 0.014 0.000 0.810 374 A HN 0.514 nan 8.150 nan 0.000 0.445 375 Q N -0.383 119.429 119.800 0.019 0.000 2.187 375 Q HA 0.067 4.411 4.340 0.008 0.000 0.199 375 Q C 1.917 177.916 176.000 -0.002 0.000 0.957 375 Q CA 1.014 56.863 55.803 0.075 0.000 0.857 375 Q CB -0.297 28.581 28.738 0.233 0.000 0.929 375 Q HN 0.621 nan 8.270 nan 0.000 0.453 376 L N 0.554 121.660 121.223 -0.195 0.000 2.056 376 L HA -0.139 4.206 4.340 0.008 0.000 0.207 376 L C 2.493 179.266 176.870 -0.162 0.000 1.078 376 L CA 1.022 55.664 54.840 -0.330 0.000 0.749 376 L CB -0.491 41.280 42.059 -0.480 0.000 0.901 376 L HN 0.228 nan 8.230 nan 0.000 0.433 377 A N -0.190 122.568 122.820 -0.104 0.000 2.015 377 A HA -0.057 4.268 4.320 0.008 0.000 0.219 377 A C 2.403 179.959 177.584 -0.048 0.000 1.163 377 A CA 1.332 53.328 52.037 -0.070 0.000 0.646 377 A CB -0.559 18.415 19.000 -0.044 0.000 0.806 377 A HN 0.378 nan 8.150 nan 0.000 0.448 378 A N -0.445 122.357 122.820 -0.029 0.000 2.172 378 A HA 0.138 4.462 4.320 0.008 0.000 0.216 378 A C 1.947 179.527 177.584 -0.006 0.000 1.154 378 A CA 0.814 52.846 52.037 -0.009 0.000 0.701 378 A CB -0.523 18.484 19.000 0.012 0.000 0.789 378 A HN 0.487 nan 8.150 nan 0.000 0.465 379 L N -1.556 119.658 121.223 -0.015 0.000 2.042 379 L HA -0.084 4.261 4.340 0.008 0.000 0.210 379 L C 1.630 178.490 176.870 -0.017 0.000 1.076 379 L CA 1.386 56.222 54.840 -0.007 0.000 0.749 379 L CB -0.031 42.016 42.059 -0.020 0.000 0.893 379 L HN 0.487 nan 8.230 nan 0.000 0.432 380 R N -1.111 119.369 120.500 -0.033 0.000 2.921 380 R HA 0.178 4.522 4.340 0.008 0.000 0.269 380 R C -2.318 173.955 176.300 -0.044 0.000 1.696 380 R CA -1.090 54.989 56.100 -0.035 0.000 1.161 380 R CB 1.194 31.470 30.300 -0.039 0.000 1.337 380 R HN -0.200 nan 8.270 nan 0.000 0.496 381 P HA -0.195 nan 4.420 nan 0.000 0.218 381 P C 0.612 177.888 177.300 -0.040 0.000 1.148 381 P CA 1.006 64.086 63.100 -0.034 0.000 0.822 381 P CB 0.268 31.955 31.700 -0.021 0.000 0.784 382 E N -0.583 119.594 120.200 -0.038 0.000 2.511 382 E HA -0.013 4.342 4.350 0.008 0.000 0.196 382 E C 0.949 177.518 176.600 -0.052 0.000 1.066 382 E CA 0.676 57.054 56.400 -0.037 0.000 0.871 382 E CB -0.351 29.331 29.700 -0.029 0.000 0.863 382 E HN 0.131 nan 8.360 nan 0.000 0.520 383 V N 0.390 120.259 119.914 -0.074 0.000 3.337 383 V HA 0.357 4.482 4.120 0.008 0.000 0.307 383 V C 0.126 176.119 176.094 -0.169 0.000 1.505 383 V CA 0.299 62.536 62.300 -0.106 0.000 1.072 383 V CB 0.792 32.559 31.823 -0.094 0.000 0.929 383 V HN 0.376 nan 8.190 nan 0.000 0.455 384 A N 0.242 122.977 122.820 -0.142 0.000 2.330 384 A HA 0.842 5.166 4.320 0.008 0.000 0.327 384 A C -0.458 177.045 177.584 -0.136 0.000 1.155 384 A CA -0.439 51.498 52.037 -0.167 0.000 0.803 384 A CB 1.148 20.085 19.000 -0.105 0.000 1.208 384 A HN 0.195 nan 8.150 nan 0.000 0.477 385 E N 0.961 121.065 120.200 -0.159 0.000 2.207 385 E HA 0.378 4.732 4.350 0.008 0.000 0.270 385 E C -1.033 175.593 176.600 0.043 0.000 0.927 385 E CA -0.506 55.882 56.400 -0.021 0.000 0.799 385 E CB 2.234 31.979 29.700 0.076 0.000 1.172 385 E HN 0.693 nan 8.360 nan 0.000 0.404 386 Q N 1.365 121.207 119.800 0.070 0.000 2.337 386 Q HA 0.408 4.753 4.340 0.008 0.000 0.270 386 Q C -1.082 174.990 176.000 0.120 0.000 1.043 386 Q CA -0.413 55.446 55.803 0.093 0.000 0.794 386 Q CB 1.632 30.401 28.738 0.051 0.000 1.281 386 Q HN 0.713 nan 8.270 nan 0.000 0.446 387 T N -0.800 113.856 114.554 0.170 0.000 2.888 387 T HA 0.338 4.693 4.350 0.008 0.000 0.288 387 T C 0.596 175.399 174.700 0.171 0.000 1.063 387 T CA -0.747 61.446 62.100 0.154 0.000 1.010 387 T CB 1.569 70.532 68.868 0.158 0.000 1.214 387 T HN 0.570 nan 8.240 nan 0.000 0.533 388 E N 0.520 120.798 120.200 0.130 0.000 2.086 388 E HA 0.033 4.388 4.350 0.008 0.000 0.190 388 E C 0.799 177.507 176.600 0.180 0.000 0.975 388 E CA 1.180 57.656 56.400 0.127 0.000 0.813 388 E CB 0.073 29.816 29.700 0.070 0.000 0.768 388 E HN 0.869 nan 8.360 nan 0.000 0.457 389 T N -2.948 111.679 114.554 0.122 0.000 2.930 389 T HA 0.305 4.659 4.350 0.008 0.000 0.290 389 T C 0.970 175.568 174.700 -0.171 0.000 1.052 389 T CA -0.693 61.432 62.100 0.042 0.000 1.017 389 T CB 1.564 70.412 68.868 -0.032 0.000 1.137 389 T HN -0.055 nan 8.240 nan 0.000 0.511 390 M N 0.271 119.535 119.600 -0.560 0.000 2.213 390 M HA -0.042 4.443 4.480 0.008 0.000 0.263 390 M C 2.175 178.297 176.300 -0.297 0.000 1.062 390 M CA 1.866 56.620 55.300 -0.911 0.000 1.105 390 M CB -0.331 31.765 32.600 -0.839 0.000 1.385 390 M HN 0.969 nan 8.290 nan 0.000 0.417 391 E N -0.043 120.074 120.200 -0.138 0.000 2.072 391 E HA -0.253 4.101 4.350 0.008 0.000 0.191 391 E C 1.856 178.421 176.600 -0.057 0.000 0.985 391 E CA 1.573 57.931 56.400 -0.069 0.000 0.801 391 E CB -0.056 29.619 29.700 -0.042 0.000 0.750 391 E HN 0.645 nan 8.360 nan 0.000 0.452 392 Q N 0.028 119.802 119.800 -0.044 0.000 2.124 392 Q HA -0.158 4.186 4.340 0.008 0.000 0.202 392 Q C 2.218 178.221 176.000 0.006 0.000 0.977 392 Q CA 1.456 57.255 55.803 -0.007 0.000 0.850 392 Q CB -0.184 28.566 28.738 0.020 0.000 0.901 392 Q HN 0.377 nan 8.270 nan 0.000 0.429 393 A N 0.670 123.490 122.820 0.000 0.000 1.902 393 A HA -0.182 4.143 4.320 0.008 0.000 0.217 393 A C 2.055 179.594 177.584 -0.075 0.000 1.181 393 A CA 1.281 53.342 52.037 0.040 0.000 0.623 393 A CB -0.360 18.701 19.000 0.102 0.000 0.818 393 A HN 0.243 nan 8.150 nan 0.000 0.443 394 M N -0.589 118.970 119.600 -0.068 0.000 2.132 394 M HA -0.079 4.405 4.480 0.008 0.000 0.263 394 M C 2.163 178.428 176.300 -0.058 0.000 1.065 394 M CA 1.378 56.649 55.300 -0.049 0.000 1.122 394 M CB -1.002 31.592 32.600 -0.009 0.000 1.365 394 M HN 0.416 nan 8.290 nan 0.000 0.411 395 R N -0.429 120.042 120.500 -0.048 0.000 2.189 395 R HA -0.070 4.275 4.340 0.008 0.000 0.218 395 R C 2.087 178.370 176.300 -0.029 0.000 1.074 395 R CA 0.654 56.732 56.100 -0.036 0.000 0.991 395 R CB -0.356 29.927 30.300 -0.028 0.000 0.883 395 R HN 0.203 nan 8.270 nan 0.000 0.457 396 L N 1.375 122.581 121.223 -0.029 0.000 2.044 396 L HA -0.108 4.237 4.340 0.008 0.000 0.205 396 L C 2.048 178.889 176.870 -0.048 0.000 1.075 396 L CA 1.510 56.354 54.840 0.007 0.000 0.747 396 L CB -0.396 41.715 42.059 0.086 0.000 0.903 396 L HN 0.118 nan 8.230 nan 0.000 0.435 397 L N -1.737 119.326 121.223 -0.267 0.000 2.156 397 L HA 0.199 4.544 4.340 0.008 0.000 0.208 397 L C 2.457 179.170 176.870 -0.262 0.000 1.095 397 L CA 1.752 56.319 54.840 -0.456 0.000 0.770 397 L CB -1.791 39.587 42.059 -1.134 0.000 0.914 397 L HN 0.080 nan 8.230 nan 0.000 0.439 398 A N 0.851 123.590 122.820 -0.134 0.000 1.908 398 A HA -0.071 4.254 4.320 0.008 0.000 0.218 398 A C 0.576 178.149 177.584 -0.018 0.000 1.181 398 A CA 1.991 54.025 52.037 -0.005 0.000 0.627 398 A CB -2.108 16.938 19.000 0.077 0.000 0.818 398 A HN 0.485 nan 8.150 nan 0.000 0.445 399 P HA -0.150 nan 4.420 nan 0.000 0.217 399 P C 1.176 178.475 177.300 -0.002 0.000 1.148 399 P CA 1.251 64.351 63.100 -0.000 0.000 0.828 399 P CB -0.096 31.610 31.700 0.011 0.000 0.783 400 R N -1.369 119.121 120.500 -0.018 0.000 2.297 400 R HA 0.116 4.461 4.340 0.008 0.000 0.197 400 R C 0.215 176.510 176.300 -0.008 0.000 0.943 400 R CA -0.020 56.098 56.100 0.031 0.000 1.038 400 R CB -0.136 30.245 30.300 0.135 0.000 0.957 400 R HN 0.070 nan 8.270 nan 0.000 0.484 401 V N 2.661 122.484 119.914 -0.151 0.000 2.555 401 V HA 0.019 4.144 4.120 0.008 0.000 0.286 401 V C 0.209 176.277 176.094 -0.043 0.000 1.044 401 V CA 0.283 62.449 62.300 -0.223 0.000 1.026 401 V CB 1.179 32.808 31.823 -0.323 0.000 0.981 401 V HN 0.165 nan 8.190 nan 0.000 0.480 402 Q N 5.002 124.809 119.800 0.012 0.000 2.399 402 Q HA 0.483 4.827 4.340 0.008 0.000 0.276 402 Q C -2.660 173.342 176.000 0.004 0.000 1.098 402 Q CA -2.433 53.380 55.803 0.017 0.000 0.827 402 Q CB 1.693 30.453 28.738 0.037 0.000 1.386 402 Q HN 0.375 nan 8.270 nan 0.000 0.443 403 P HA 0.089 nan 4.420 nan 0.000 0.264 403 P C 0.616 177.915 177.300 -0.002 0.000 1.193 403 P CA 1.113 64.209 63.100 -0.007 0.000 0.763 403 P CB 0.348 32.042 31.700 -0.010 0.000 0.810 404 G N 1.953 110.750 108.800 -0.005 0.000 2.258 404 G HA2 -0.187 3.778 3.960 0.008 0.000 0.233 404 G HA3 -0.187 3.778 3.960 0.008 0.000 0.233 404 G C 0.088 174.972 174.900 -0.026 0.000 1.006 404 G CA -0.262 44.833 45.100 -0.008 0.000 0.620 404 G HN 0.496 nan 8.290 nan 0.000 0.511 405 D N 0.367 120.754 120.400 -0.020 0.000 2.360 405 D HA 0.549 5.194 4.640 0.008 0.000 0.242 405 D C 0.627 176.888 176.300 -0.065 0.000 1.184 405 D CA 0.214 54.209 54.000 -0.009 0.000 0.930 405 D CB 0.820 41.666 40.800 0.077 0.000 1.161 405 D HN 0.392 nan 8.370 nan 0.000 0.447 406 M N 0.862 120.432 119.600 -0.050 0.000 2.393 406 M HA 0.396 4.880 4.480 0.008 0.000 0.316 406 M C -1.719 174.507 176.300 -0.123 0.000 1.087 406 M CA -0.803 54.432 55.300 -0.109 0.000 0.937 406 M CB 1.643 34.206 32.600 -0.061 0.000 1.668 406 M HN -0.019 nan 8.290 nan 0.000 0.438 407 V N 5.728 125.449 119.914 -0.322 0.000 2.347 407 V HA 0.453 4.577 4.120 0.008 0.000 0.280 407 V C -0.951 175.133 176.094 -0.017 0.000 1.021 407 V CA -0.738 61.410 62.300 -0.252 0.000 0.847 407 V CB 1.216 32.588 31.823 -0.751 0.000 0.990 407 V HN 0.714 nan 8.190 nan 0.000 0.444 408 L N 6.733 127.961 121.223 0.008 0.000 2.343 408 L HA 0.622 4.967 4.340 0.008 0.000 0.278 408 L C -0.781 176.021 176.870 -0.113 0.000 0.996 408 L CA -0.557 54.238 54.840 -0.075 0.000 0.831 408 L CB 1.523 43.551 42.059 -0.051 0.000 1.232 408 L HN 0.616 nan 8.230 nan 0.000 0.413 409 L N 4.615 125.605 121.223 -0.388 0.000 2.334 409 L HA 0.514 4.859 4.340 0.008 0.000 0.286 409 L C -0.171 176.556 176.870 -0.239 0.000 1.108 409 L CA 0.740 55.333 54.840 -0.413 0.000 0.875 409 L CB 0.575 42.040 42.059 -0.991 0.000 1.246 409 L HN 0.726 nan 8.230 nan 0.000 0.439 410 S N 6.640 122.280 115.700 -0.100 0.000 2.216 410 S HA 0.497 4.971 4.470 0.008 0.000 0.156 410 S C -2.005 172.561 174.600 -0.055 0.000 1.665 410 S CA -0.819 57.342 58.200 -0.064 0.000 1.262 410 S CB 0.659 63.845 63.200 -0.024 0.000 1.207 410 S HN 0.587 nan 8.310 nan 0.000 0.427 411 P HA 0.218 nan 4.420 nan 0.000 0.245 411 P C 0.686 177.919 177.300 -0.112 0.000 1.206 411 P CA 0.721 63.777 63.100 -0.075 0.000 0.781 411 P CB -0.003 31.680 31.700 -0.028 0.000 0.994 412 A N -2.232 120.550 122.820 -0.064 0.000 2.861 412 A HA -0.202 4.123 4.320 0.008 0.000 0.261 412 A C 0.384 177.994 177.584 0.043 0.000 1.351 412 A CA 1.047 53.076 52.037 -0.015 0.000 0.904 412 A CB -2.603 16.396 19.000 -0.002 0.000 1.076 412 A HN 0.401 nan 8.150 nan 0.000 0.729 413 C N -1.797 117.505 119.300 0.004 0.000 3.173 413 C HA 0.772 5.237 4.460 0.008 0.000 0.310 413 C C 0.857 175.869 174.990 0.037 0.000 1.306 413 C CA -0.526 58.517 59.018 0.042 0.000 1.426 413 C CB 1.601 29.342 27.740 0.002 0.000 1.800 413 C HN 1.732 nan 8.230 nan 0.000 0.470 414 A N 1.100 123.961 122.820 0.069 0.000 2.366 414 A HA 0.509 4.833 4.320 0.008 0.000 0.249 414 A C 1.040 178.711 177.584 0.146 0.000 1.084 414 A CA 0.546 52.650 52.037 0.111 0.000 0.794 414 A CB 0.194 19.275 19.000 0.134 0.000 1.034 414 A HN 1.472 nan 8.150 nan 0.000 0.491 415 S N 0.731 116.547 115.700 0.193 0.000 2.556 415 S HA 0.012 4.487 4.470 0.008 0.000 0.216 415 S C 1.454 176.255 174.600 0.335 0.000 0.970 415 S CA 0.512 58.889 58.200 0.296 0.000 0.912 415 S CB -0.779 62.552 63.200 0.219 0.000 0.790 415 S HN 0.969 nan 8.310 nan 0.000 0.504 416 L N 1.496 122.851 121.223 0.220 0.000 2.191 416 L HA -0.075 4.270 4.340 0.008 0.000 0.212 416 L C 2.110 179.062 176.870 0.136 0.000 1.103 416 L CA 1.959 56.902 54.840 0.171 0.000 0.769 416 L CB -1.012 41.129 42.059 0.135 0.000 0.908 416 L HN 0.220 nan 8.230 nan 0.000 0.438 417 D N -0.059 120.423 120.400 0.137 0.000 2.178 417 D HA -0.275 4.370 4.640 0.008 0.000 0.201 417 D C 1.739 178.071 176.300 0.054 0.000 0.980 417 D CA 1.785 55.840 54.000 0.091 0.000 0.842 417 D CB -0.175 40.680 40.800 0.091 0.000 0.948 417 D HN 0.681 nan 8.370 nan 0.000 0.472 418 Q N -1.848 117.992 119.800 0.065 0.000 2.210 418 Q HA 0.246 4.590 4.340 0.008 0.000 0.252 418 Q C -0.377 175.385 176.000 -0.397 0.000 0.811 418 Q CA -0.192 55.499 55.803 -0.187 0.000 0.953 418 Q CB 1.179 29.736 28.738 -0.301 0.000 1.136 418 Q HN 0.136 nan 8.270 nan 0.000 0.491 419 F N -0.420 119.574 119.950 0.072 0.000 2.611 419 F HA 0.322 4.853 4.527 0.007 0.000 0.324 419 F C 1.098 176.918 175.800 0.032 0.000 1.061 419 F CA -1.017 57.013 58.000 0.050 0.000 0.954 419 F CB 1.214 40.250 39.000 0.060 0.000 1.301 419 F HN -0.312 nan 8.300 nan 0.000 0.482 420 K N 0.507 121.038 120.400 0.219 0.000 2.057 420 K HA -0.079 4.245 4.320 0.008 0.000 0.206 420 K C -0.424 176.224 176.600 0.081 0.000 1.050 420 K CA 1.770 58.120 56.287 0.106 0.000 0.935 420 K CB -0.001 32.536 32.500 0.062 0.000 0.715 420 K HN 0.860 nan 8.250 nan 0.000 0.439 421 N N -2.372 116.363 118.700 0.059 0.000 3.261 421 N HA 0.025 4.770 4.740 0.008 0.000 0.248 421 N C 0.240 175.676 175.510 -0.124 0.000 1.498 421 N CA -0.419 52.607 53.050 -0.040 0.000 0.884 421 N CB -0.158 38.216 38.487 -0.187 0.000 1.428 421 N HN -0.062 nan 8.380 nan 0.000 0.517 422 F N -1.069 118.822 119.950 -0.098 0.000 2.407 422 F HA 0.357 4.888 4.527 0.007 0.000 0.299 422 F C 1.392 176.955 175.800 -0.394 0.000 1.097 422 F CA 0.689 58.564 58.000 -0.209 0.000 1.422 422 F CB -0.463 38.451 39.000 -0.143 0.000 1.067 422 F HN 0.484 nan 8.300 nan 0.000 0.539 423 E N 0.847 120.387 120.200 -1.100 0.000 2.047 423 E HA -0.232 4.123 4.350 0.008 0.000 0.191 423 E C 2.258 178.584 176.600 -0.457 0.000 0.987 423 E CA 1.534 57.307 56.400 -1.045 0.000 0.799 423 E CB -0.472 28.797 29.700 -0.720 0.000 0.752 423 E HN 0.685 nan 8.360 nan 0.000 0.449 424 Q N 0.831 120.469 119.800 -0.269 0.000 2.084 424 Q HA -0.232 4.112 4.340 0.008 0.000 0.202 424 Q C 2.336 178.275 176.000 -0.102 0.000 0.978 424 Q CA 1.430 57.190 55.803 -0.071 0.000 0.844 424 Q CB -0.025 28.750 28.738 0.061 0.000 0.898 424 Q HN 0.103 nan 8.270 nan 0.000 0.426 425 R N -0.324 119.944 120.500 -0.386 0.000 2.083 425 R HA -0.149 4.195 4.340 0.008 0.000 0.237 425 R C 2.169 178.308 176.300 -0.268 0.000 1.137 425 R CA 1.761 57.370 56.100 -0.819 0.000 0.951 425 R CB -0.769 28.881 30.300 -1.084 0.000 0.851 425 R HN 0.437 nan 8.270 nan 0.000 0.434 426 G N 0.138 108.860 108.800 -0.130 0.000 2.432 426 G HA2 -0.260 3.704 3.960 0.008 0.000 0.219 426 G HA3 -0.260 3.704 3.960 0.008 0.000 0.219 426 G C 1.111 176.171 174.900 0.267 0.000 1.135 426 G CA 0.924 46.121 45.100 0.162 0.000 0.767 426 G HN 0.492 nan 8.290 nan 0.000 0.550 427 N N 0.208 119.015 118.700 0.178 0.000 2.142 427 N HA -0.048 4.697 4.740 0.008 0.000 0.186 427 N C 2.096 177.671 175.510 0.108 0.000 1.023 427 N CA 0.941 54.083 53.050 0.153 0.000 0.852 427 N CB -0.070 38.481 38.487 0.107 0.000 0.998 427 N HN 0.406 nan 8.380 nan 0.000 0.424 428 E N 0.477 120.742 120.200 0.109 0.000 2.077 428 E HA -0.195 4.159 4.350 0.008 0.000 0.193 428 E C 1.638 178.300 176.600 0.103 0.000 0.989 428 E CA 0.736 57.203 56.400 0.111 0.000 0.800 428 E CB -0.180 29.640 29.700 0.200 0.000 0.746 428 E HN 0.355 nan 8.360 nan 0.000 0.452 429 F N 1.889 121.835 119.950 -0.007 0.000 2.095 429 F HA -0.233 4.298 4.527 0.007 0.000 0.298 429 F C 2.271 178.062 175.800 -0.016 0.000 1.104 429 F CA 1.634 59.632 58.000 -0.003 0.000 1.232 429 F CB -0.296 38.713 39.000 0.016 0.000 0.987 429 F HN -0.060 nan 8.300 nan 0.000 0.475 430 A N 0.436 123.279 122.820 0.037 0.000 1.933 430 A HA -0.167 4.157 4.320 0.008 0.000 0.218 430 A C 2.324 179.775 177.584 -0.222 0.000 1.175 430 A CA 1.676 53.648 52.037 -0.107 0.000 0.628 430 A CB -0.721 18.309 19.000 0.051 0.000 0.814 430 A HN 0.478 nan 8.150 nan 0.000 0.444 431 R N -0.734 119.680 120.500 -0.144 0.000 2.075 431 R HA 0.018 4.363 4.340 0.008 0.000 0.232 431 R C 2.052 178.209 176.300 -0.238 0.000 1.126 431 R CA 1.356 57.361 56.100 -0.159 0.000 0.963 431 R CB -0.407 29.841 30.300 -0.085 0.000 0.858 431 R HN 0.508 nan 8.270 nan 0.000 0.435 432 L N -0.107 120.960 121.223 -0.259 0.000 2.056 432 L HA -0.129 4.215 4.340 0.008 0.000 0.207 432 L C 2.640 179.193 176.870 -0.528 0.000 1.078 432 L CA 1.075 55.730 54.840 -0.308 0.000 0.749 432 L CB -0.561 41.367 42.059 -0.219 0.000 0.901 432 L HN 0.260 nan 8.230 nan 0.000 0.433 433 A N 0.479 122.834 122.820 -0.774 0.000 1.892 433 A HA -0.273 4.052 4.320 0.008 0.000 0.218 433 A C 2.299 179.250 177.584 -1.054 0.000 1.188 433 A CA 2.082 53.364 52.037 -1.258 0.000 0.631 433 A CB -0.420 17.911 19.000 -1.115 0.000 0.822 433 A HN 0.308 nan 8.150 nan 0.000 0.447 434 K N -0.607 119.409 120.400 -0.640 0.000 2.148 434 K HA -0.137 4.187 4.320 0.008 0.000 0.204 434 K C 2.122 178.487 176.600 -0.392 0.000 1.050 434 K CA 1.377 57.386 56.287 -0.465 0.000 0.942 434 K CB -0.095 32.219 32.500 -0.310 0.000 0.724 434 K HN 0.725 nan 8.250 nan 0.000 0.446 435 E N 0.827 120.811 120.200 -0.359 0.000 2.047 435 E HA -0.168 4.187 4.350 0.008 0.000 0.191 435 E C 1.499 177.934 176.600 -0.276 0.000 0.987 435 E CA 1.085 57.324 56.400 -0.268 0.000 0.799 435 E CB 0.131 29.703 29.700 -0.215 0.000 0.752 435 E HN 0.233 nan 8.360 nan 0.000 0.449 436 L N -0.202 120.788 121.223 -0.388 0.000 2.585 436 L HA 0.297 4.641 4.340 0.008 0.000 0.226 436 L C 1.229 177.927 176.870 -0.288 0.000 1.113 436 L CA -0.036 54.629 54.840 -0.291 0.000 0.876 436 L CB 0.656 42.571 42.059 -0.241 0.000 1.072 436 L HN 0.041 nan 8.230 nan 0.000 0.468 437 G N 0.000 108.482 108.800 -0.530 0.000 5.446 437 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 437 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 437 G CA 0.000 44.913 45.100 -0.312 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925