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 1o20_1_A DATA FIRST_RESID 2 DATA SEQUENCE DELLEKAKKV REAWDVLRNA TTREKNKAIK KIAEKLDERR KEILEANRID DATA SEQUENCE VEKARERGVK ESLVDRLALN DKRIDEXIKA CETVIGLKDP VGEVIDSWVR DATA SEQUENCE EDGLRIARVR VPIGPIGIIY ESRPNVTVET TILALKSGNT ILLRGGSDAL DATA SEQUENCE NSNKAIVSAI REALKETEIP ESSVEFIENT DRSLVLEXIR LREYLSLVIP DATA SEQUENCE RGGYGLISFV RDNATVPVLE TGVGNCHIFV DESADLKKAV PVIINAKTQR DATA SEQUENCE PGTCNAAEKL LVHEKIAKEF LPVIVEELRK HGVEVRGCEK TREIVPDVVP DATA SEQUENCE ATEDDWPTEY LDLIIAIKVV KNVDEAIEHI KKYSTGHSES ILTENYSNAK DATA SEQUENCE KFVSEIDAAA VYVNASTRFT DGGQFGFGAE IGISTQRFHA RGPVGLRELT DATA SEQUENCE TYKFVVLGEY HVRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.277 176.300 -0.038 0.000 2.045 2 D CA 0.000 53.985 54.000 -0.026 0.000 0.868 2 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 3 E N 2.311 122.487 120.200 -0.041 0.000 2.051 3 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 3 E C 1.830 178.392 176.600 -0.064 0.000 0.991 3 E CA 0.742 57.112 56.400 -0.049 0.000 0.799 3 E CB 0.265 29.933 29.700 -0.054 0.000 0.748 3 E HN 0.398 nan 8.360 nan 0.000 0.449 4 L N 1.242 122.427 121.223 -0.063 0.000 2.012 4 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 4 L C 2.722 179.536 176.870 -0.094 0.000 1.073 4 L CA 2.385 57.184 54.840 -0.068 0.000 0.748 4 L CB -1.007 41.024 42.059 -0.047 0.000 0.891 4 L HN 0.325 nan 8.230 nan 0.000 0.431 5 L N -1.798 119.369 121.223 -0.093 0.000 2.056 5 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 5 L C 2.474 179.213 176.870 -0.218 0.000 1.078 5 L CA 2.314 57.062 54.840 -0.154 0.000 0.749 5 L CB -1.804 40.209 42.059 -0.078 0.000 0.901 5 L HN 0.413 nan 8.230 nan 0.000 0.433 6 E N -0.684 119.437 120.200 -0.132 0.000 2.077 6 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 6 E C 2.352 178.877 176.600 -0.125 0.000 0.989 6 E CA 1.447 57.778 56.400 -0.115 0.000 0.800 6 E CB -0.377 29.285 29.700 -0.063 0.000 0.746 6 E HN 0.846 nan 8.360 nan 0.000 0.452 7 K N -0.202 120.133 120.400 -0.108 0.000 2.167 7 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 7 K C 2.393 178.930 176.600 -0.106 0.000 1.052 7 K CA 0.789 57.030 56.287 -0.077 0.000 0.956 7 K CB -0.128 32.344 32.500 -0.046 0.000 0.735 7 K HN 0.241 nan 8.250 nan 0.000 0.451 8 A N 1.929 124.637 122.820 -0.187 0.000 1.930 8 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 8 A C 1.826 179.179 177.584 -0.385 0.000 1.175 8 A CA 1.363 53.254 52.037 -0.242 0.000 0.627 8 A CB -0.184 18.652 19.000 -0.272 0.000 0.815 8 A HN 0.164 nan 8.150 nan 0.000 0.443 9 K N -0.062 120.010 120.400 -0.547 0.000 2.057 9 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 9 K C 2.025 178.577 176.600 -0.080 0.000 1.050 9 K CA 1.537 57.598 56.287 -0.375 0.000 0.935 9 K CB -0.139 32.190 32.500 -0.285 0.000 0.715 9 K HN 0.399 nan 8.250 nan 0.000 0.439 10 K N 0.657 121.015 120.400 -0.071 0.000 2.057 10 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 10 K C 2.177 178.803 176.600 0.043 0.000 1.049 10 K CA 1.620 57.907 56.287 -0.001 0.000 0.931 10 K CB -0.178 32.320 32.500 -0.004 0.000 0.714 10 K HN 0.115 nan 8.250 nan 0.000 0.440 11 V N -0.441 119.496 119.914 0.039 0.000 2.548 11 V HA -0.110 4.010 4.120 -0.000 0.000 0.249 11 V C 2.218 178.400 176.094 0.147 0.000 1.055 11 V CA 1.403 63.754 62.300 0.084 0.000 1.065 11 V CB -0.483 31.377 31.823 0.061 0.000 0.681 11 V HN 0.095 nan 8.190 nan 0.000 0.462 12 R N 1.191 121.782 120.500 0.152 0.000 2.075 12 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 12 R C 2.154 178.613 176.300 0.265 0.000 1.126 12 R CA 2.133 58.377 56.100 0.240 0.000 0.963 12 R CB -0.753 29.736 30.300 0.314 0.000 0.858 12 R HN 0.692 nan 8.270 nan 0.000 0.435 13 E N -0.554 119.754 120.200 0.180 0.000 2.072 13 E HA -0.105 4.244 4.350 -0.000 0.000 0.191 13 E C 1.872 178.551 176.600 0.131 0.000 0.985 13 E CA 1.233 57.717 56.400 0.140 0.000 0.801 13 E CB -0.180 29.575 29.700 0.091 0.000 0.750 13 E HN 0.461 nan 8.360 nan 0.000 0.452 14 A N 0.644 123.545 122.820 0.135 0.000 1.972 14 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 14 A C 1.805 179.479 177.584 0.150 0.000 1.169 14 A CA 1.102 53.209 52.037 0.116 0.000 0.635 14 A CB -0.904 18.162 19.000 0.109 0.000 0.810 14 A HN 0.505 nan 8.150 nan 0.000 0.446 15 W N 1.377 122.697 121.300 0.033 0.000 2.342 15 W HA -0.209 4.451 4.660 -0.000 0.000 0.297 15 W C 1.491 178.026 176.519 0.027 0.000 1.213 15 W CA 1.728 59.092 57.345 0.032 0.000 1.251 15 W CB -0.337 29.146 29.460 0.038 0.000 1.136 15 W HN 0.467 nan 8.180 nan 0.000 0.526 16 D N -0.586 119.763 120.400 -0.084 0.000 2.158 16 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 16 D C 2.067 178.224 176.300 -0.237 0.000 0.995 16 D CA 2.006 55.865 54.000 -0.235 0.000 0.846 16 D CB -0.150 40.609 40.800 -0.068 0.000 0.941 16 D HN 0.114 nan 8.370 nan 0.000 0.456 17 V N 0.193 120.028 119.914 -0.131 0.000 2.331 17 V HA -0.112 4.007 4.120 -0.000 0.000 0.242 17 V C 2.432 178.455 176.094 -0.118 0.000 1.034 17 V CA 1.115 63.355 62.300 -0.100 0.000 1.027 17 V CB -0.506 31.295 31.823 -0.037 0.000 0.667 17 V HN 0.213 nan 8.190 nan 0.000 0.457 18 L N 1.740 122.909 121.223 -0.090 0.000 2.083 18 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 18 L C 2.702 179.506 176.870 -0.110 0.000 1.083 18 L CA 2.131 56.946 54.840 -0.042 0.000 0.752 18 L CB -0.847 41.257 42.059 0.076 0.000 0.899 18 L HN 0.450 nan 8.230 nan 0.000 0.433 19 R N -0.882 119.418 120.500 -0.332 0.000 2.193 19 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 19 R C 1.012 177.190 176.300 -0.204 0.000 1.110 19 R CA 1.999 57.884 56.100 -0.357 0.000 0.988 19 R CB -0.875 28.850 30.300 -0.959 0.000 0.871 19 R HN 0.504 nan 8.270 nan 0.000 0.458 20 N N 0.131 118.718 118.700 -0.188 0.000 2.187 20 N HA 0.209 4.948 4.740 -0.000 0.000 0.212 20 N C -0.611 174.856 175.510 -0.071 0.000 1.152 20 N CA -0.078 52.901 53.050 -0.119 0.000 0.872 20 N CB 1.201 39.611 38.487 -0.129 0.000 1.025 20 N HN 0.270 nan 8.380 nan 0.000 0.514 21 A N 1.165 123.951 122.820 -0.058 0.000 2.498 21 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 21 A C 0.913 178.486 177.584 -0.018 0.000 1.068 21 A CA -0.164 51.855 52.037 -0.030 0.000 0.766 21 A CB -0.072 18.919 19.000 -0.015 0.000 1.003 21 A HN 0.309 nan 8.150 nan 0.000 0.497 22 T N 0.166 114.712 114.554 -0.013 0.000 2.856 22 T HA 0.245 4.595 4.350 -0.000 0.000 0.306 22 T C 1.275 175.975 174.700 0.001 0.000 1.062 22 T CA 0.304 62.400 62.100 -0.007 0.000 1.083 22 T CB 0.358 69.222 68.868 -0.007 0.000 0.984 22 T HN 0.590 nan 8.240 nan 0.000 0.542 23 T N 0.531 115.087 114.554 0.003 0.000 2.759 23 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 23 T C 1.971 176.676 174.700 0.008 0.000 1.042 23 T CA 1.362 63.467 62.100 0.009 0.000 1.140 23 T CB -0.322 68.552 68.868 0.008 0.000 0.864 23 T HN 0.696 nan 8.240 nan 0.000 0.455 24 R N 0.992 121.495 120.500 0.004 0.000 2.083 24 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 24 R C 2.422 178.726 176.300 0.005 0.000 1.137 24 R CA 1.853 57.956 56.100 0.004 0.000 0.951 24 R CB -0.195 30.106 30.300 0.002 0.000 0.851 24 R HN 0.263 nan 8.270 nan 0.000 0.434 25 E N 0.441 120.644 120.200 0.004 0.000 2.106 25 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 25 E C 1.661 178.267 176.600 0.010 0.000 0.984 25 E CA 1.632 58.035 56.400 0.005 0.000 0.806 25 E CB 0.162 29.863 29.700 0.002 0.000 0.750 25 E HN 0.339 nan 8.360 nan 0.000 0.458 26 K N -0.054 120.354 120.400 0.014 0.000 2.057 26 K HA -0.050 4.269 4.320 -0.000 0.000 0.206 26 K C 1.900 178.511 176.600 0.020 0.000 1.050 26 K CA 1.153 57.453 56.287 0.021 0.000 0.935 26 K CB -0.135 32.381 32.500 0.027 0.000 0.715 26 K HN 0.062 nan 8.250 nan 0.000 0.439 27 N N 1.436 120.145 118.700 0.017 0.000 2.166 27 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 27 N C 1.565 177.083 175.510 0.013 0.000 1.019 27 N CA 1.101 54.160 53.050 0.015 0.000 0.856 27 N CB -0.082 38.413 38.487 0.013 0.000 0.993 27 N HN 0.197 nan 8.380 nan 0.000 0.426 28 K N 0.757 121.163 120.400 0.011 0.000 2.026 28 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 28 K C 1.901 178.508 176.600 0.011 0.000 1.048 28 K CA 1.262 57.554 56.287 0.009 0.000 0.929 28 K CB -0.104 32.401 32.500 0.008 0.000 0.713 28 K HN 0.102 nan 8.250 nan 0.000 0.439 29 A N 1.344 124.172 122.820 0.013 0.000 1.908 29 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 29 A C 2.076 179.669 177.584 0.015 0.000 1.181 29 A CA 1.629 53.675 52.037 0.015 0.000 0.627 29 A CB -0.581 18.430 19.000 0.020 0.000 0.818 29 A HN 0.359 nan 8.150 nan 0.000 0.445 30 I N -0.940 119.639 120.570 0.016 0.000 2.353 30 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 30 I C 2.468 178.592 176.117 0.011 0.000 1.119 30 I CA 1.625 62.934 61.300 0.015 0.000 1.417 30 I CB -0.167 37.844 38.000 0.018 0.000 1.078 30 I HN 0.261 nan 8.210 nan 0.000 0.421 31 K N 1.878 122.285 120.400 0.011 0.000 2.026 31 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 31 K C 1.933 178.537 176.600 0.007 0.000 1.048 31 K CA 1.694 57.986 56.287 0.009 0.000 0.929 31 K CB -0.148 32.357 32.500 0.008 0.000 0.713 31 K HN 0.108 nan 8.250 nan 0.000 0.439 32 K N 0.082 120.487 120.400 0.007 0.000 2.097 32 K HA -0.061 4.258 4.320 -0.000 0.000 0.206 32 K C 2.120 178.723 176.600 0.005 0.000 1.049 32 K CA 1.571 57.861 56.287 0.006 0.000 0.933 32 K CB -0.231 32.273 32.500 0.007 0.000 0.717 32 K HN 0.158 nan 8.250 nan 0.000 0.442 33 I N 1.079 121.652 120.570 0.005 0.000 2.127 33 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 33 I C 2.524 178.641 176.117 0.000 0.000 1.075 33 I CA 1.288 62.590 61.300 0.003 0.000 1.334 33 I CB -0.461 37.541 38.000 0.004 0.000 1.040 33 I HN 0.173 nan 8.210 nan 0.000 0.405 34 A N 0.373 123.194 122.820 0.002 0.000 1.917 34 A HA -0.279 4.040 4.320 -0.000 0.000 0.219 34 A C 2.198 179.783 177.584 0.001 0.000 1.182 34 A CA 2.103 54.141 52.037 0.002 0.000 0.633 34 A CB -0.695 18.308 19.000 0.005 0.000 0.819 34 A HN 0.497 nan 8.150 nan 0.000 0.448 35 E N -0.609 119.593 120.200 0.002 0.000 2.072 35 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 35 E C 2.010 178.610 176.600 -0.000 0.000 0.985 35 E CA 1.062 57.463 56.400 0.001 0.000 0.801 35 E CB -0.061 29.641 29.700 0.002 0.000 0.750 35 E HN 0.368 nan 8.360 nan 0.000 0.452 36 K N 0.624 121.023 120.400 -0.001 0.000 2.103 36 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 36 K C 2.231 178.828 176.600 -0.006 0.000 1.052 36 K CA 0.602 56.887 56.287 -0.003 0.000 0.945 36 K CB -0.245 32.252 32.500 -0.004 0.000 0.722 36 K HN 0.189 nan 8.250 nan 0.000 0.443 37 L N 0.997 122.216 121.223 -0.007 0.000 2.012 37 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 37 L C 2.319 179.185 176.870 -0.007 0.000 1.073 37 L CA 1.514 56.349 54.840 -0.009 0.000 0.748 37 L CB -0.533 41.520 42.059 -0.009 0.000 0.891 37 L HN 0.160 nan 8.230 nan 0.000 0.431 38 D N 0.248 120.646 120.400 -0.004 0.000 2.104 38 D HA -0.225 4.414 4.640 -0.000 0.000 0.194 38 D C 2.048 178.347 176.300 -0.003 0.000 0.994 38 D CA 1.511 55.510 54.000 -0.002 0.000 0.830 38 D CB 0.082 40.882 40.800 -0.000 0.000 0.959 38 D HN 0.287 nan 8.370 nan 0.000 0.452 39 E N -1.071 119.127 120.200 -0.003 0.000 2.204 39 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 39 E C 1.206 177.803 176.600 -0.004 0.000 0.989 39 E CA 0.507 56.905 56.400 -0.003 0.000 0.824 39 E CB 0.220 29.919 29.700 -0.002 0.000 0.756 39 E HN 0.095 nan 8.360 nan 0.000 0.477 40 R N 0.377 120.873 120.500 -0.006 0.000 2.552 40 R HA 0.213 4.553 4.340 -0.000 0.000 0.314 40 R C 1.261 177.556 176.300 -0.009 0.000 1.041 40 R CA -0.073 56.022 56.100 -0.008 0.000 1.076 40 R CB 0.011 30.304 30.300 -0.011 0.000 1.290 40 R HN 0.110 nan 8.270 nan 0.000 0.563 41 R N 0.733 121.228 120.500 -0.007 0.000 2.112 41 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 41 R C 1.544 177.840 176.300 -0.006 0.000 1.137 41 R CA 1.751 57.847 56.100 -0.006 0.000 0.944 41 R CB 0.040 30.338 30.300 -0.004 0.000 0.857 41 R HN -0.098 nan 8.270 nan 0.000 0.435 42 K N 0.692 121.089 120.400 -0.005 0.000 2.020 42 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 42 K C 1.969 178.565 176.600 -0.006 0.000 1.050 42 K CA 1.811 58.095 56.287 -0.004 0.000 0.929 42 K CB -0.246 32.252 32.500 -0.003 0.000 0.714 42 K HN 0.125 nan 8.250 nan 0.000 0.443 43 E N -0.053 120.143 120.200 -0.007 0.000 2.077 43 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 43 E C 2.002 178.595 176.600 -0.012 0.000 0.989 43 E CA 1.254 57.649 56.400 -0.009 0.000 0.800 43 E CB -0.176 29.518 29.700 -0.010 0.000 0.746 43 E HN 0.261 nan 8.360 nan 0.000 0.452 44 I N 0.234 120.796 120.570 -0.014 0.000 2.252 44 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 44 I C 2.043 178.153 176.117 -0.012 0.000 1.102 44 I CA 0.918 62.208 61.300 -0.018 0.000 1.385 44 I CB -0.144 37.844 38.000 -0.019 0.000 1.064 44 I HN 0.094 nan 8.210 nan 0.000 0.414 45 L N 0.115 121.333 121.223 -0.008 0.000 2.156 45 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 45 L C 2.562 179.429 176.870 -0.004 0.000 1.095 45 L CA 0.977 55.813 54.840 -0.005 0.000 0.770 45 L CB -0.490 41.566 42.059 -0.004 0.000 0.914 45 L HN 0.236 nan 8.230 nan 0.000 0.439 46 E N 0.965 121.162 120.200 -0.005 0.000 2.072 46 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 46 E C 2.129 178.728 176.600 -0.003 0.000 0.985 46 E CA 1.551 57.949 56.400 -0.003 0.000 0.801 46 E CB -0.084 29.614 29.700 -0.003 0.000 0.750 46 E HN 0.320 nan 8.360 nan 0.000 0.452 47 A N 1.081 123.898 122.820 -0.005 0.000 1.908 47 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 47 A C 2.269 179.852 177.584 -0.002 0.000 1.181 47 A CA 1.790 53.824 52.037 -0.005 0.000 0.627 47 A CB -0.989 18.004 19.000 -0.011 0.000 0.818 47 A HN 0.464 nan 8.150 nan 0.000 0.445 48 N N -0.447 118.251 118.700 -0.004 0.000 2.309 48 N HA -0.161 4.578 4.740 -0.000 0.000 0.182 48 N C 1.995 177.505 175.510 0.001 0.000 1.018 48 N CA 1.098 54.148 53.050 -0.001 0.000 0.876 48 N CB -0.228 38.259 38.487 -0.001 0.000 0.972 48 N HN 0.591 nan 8.380 nan 0.000 0.434 49 R N 0.716 121.216 120.500 -0.000 0.000 2.096 49 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 49 R C 2.199 178.499 176.300 0.001 0.000 1.127 49 R CA 0.782 56.882 56.100 0.000 0.000 0.968 49 R CB -0.113 30.186 30.300 -0.000 0.000 0.861 49 R HN 0.247 nan 8.270 nan 0.000 0.440 50 I N 1.017 121.588 120.570 0.001 0.000 2.202 50 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 50 I C 1.717 177.836 176.117 0.003 0.000 1.091 50 I CA 1.292 62.593 61.300 0.002 0.000 1.368 50 I CB -0.358 37.644 38.000 0.003 0.000 1.058 50 I HN 0.150 nan 8.210 nan 0.000 0.410 51 D N 0.623 121.026 120.400 0.004 0.000 2.104 51 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 51 D C 2.354 178.656 176.300 0.003 0.000 0.994 51 D CA 1.239 55.242 54.000 0.005 0.000 0.830 51 D CB -0.414 40.392 40.800 0.008 0.000 0.959 51 D HN 0.131 nan 8.370 nan 0.000 0.452 52 V N 1.107 121.022 119.914 0.003 0.000 2.343 52 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 52 V C 2.746 178.840 176.094 0.000 0.000 1.051 52 V CA 2.527 64.828 62.300 0.001 0.000 1.036 52 V CB -0.918 30.906 31.823 0.001 0.000 0.654 52 V HN 0.372 nan 8.190 nan 0.000 0.451 53 E N -0.140 120.060 120.200 -0.000 0.000 2.152 53 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 53 E C 2.130 178.729 176.600 -0.001 0.000 0.983 53 E CA 1.416 57.816 56.400 -0.001 0.000 0.818 53 E CB -0.434 29.265 29.700 -0.001 0.000 0.758 53 E HN 0.670 nan 8.360 nan 0.000 0.467 54 K N -0.480 119.919 120.400 -0.001 0.000 2.057 54 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 54 K C 2.607 179.205 176.600 -0.003 0.000 1.050 54 K CA 0.892 57.178 56.287 -0.002 0.000 0.935 54 K CB -0.136 32.364 32.500 -0.001 0.000 0.715 54 K HN 0.350 nan 8.250 nan 0.000 0.439 55 A N 1.435 124.253 122.820 -0.003 0.000 1.930 55 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 55 A C 2.012 179.594 177.584 -0.004 0.000 1.175 55 A CA 1.175 53.210 52.037 -0.004 0.000 0.627 55 A CB -0.293 18.705 19.000 -0.003 0.000 0.815 55 A HN 0.198 nan 8.150 nan 0.000 0.443 56 R N -0.585 119.913 120.500 -0.003 0.000 2.066 56 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 56 R C 2.132 178.429 176.300 -0.004 0.000 1.131 56 R CA 1.420 57.518 56.100 -0.004 0.000 0.955 56 R CB -0.361 29.937 30.300 -0.003 0.000 0.851 56 R HN 0.649 nan 8.270 nan 0.000 0.432 57 E N 0.509 120.707 120.200 -0.004 0.000 2.114 57 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 57 E C 1.706 178.302 176.600 -0.005 0.000 1.008 57 E CA 1.371 57.769 56.400 -0.004 0.000 0.810 57 E CB 0.008 29.705 29.700 -0.004 0.000 0.739 57 E HN 0.226 nan 8.360 nan 0.000 0.456 58 R N -0.604 119.893 120.500 -0.006 0.000 2.319 58 R HA 0.047 4.387 4.340 -0.000 0.000 0.204 58 R C 0.892 177.187 176.300 -0.007 0.000 0.954 58 R CA 0.471 56.567 56.100 -0.007 0.000 1.066 58 R CB 0.254 30.549 30.300 -0.008 0.000 0.991 58 R HN 0.249 nan 8.270 nan 0.000 0.486 59 G N 1.410 110.206 108.800 -0.006 0.000 2.249 59 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.273 59 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.273 59 G C 0.254 175.150 174.900 -0.006 0.000 1.036 59 G CA 0.184 45.280 45.100 -0.006 0.000 0.824 59 G HN 0.161 nan 8.290 nan 0.000 0.504 60 V N 0.738 120.648 119.914 -0.006 0.000 2.655 60 V HA 0.274 4.393 4.120 -0.000 0.000 0.300 60 V C 1.234 177.324 176.094 -0.006 0.000 1.044 60 V CA 0.540 62.836 62.300 -0.007 0.000 1.095 60 V CB 0.919 32.738 31.823 -0.007 0.000 0.952 60 V HN 0.728 nan 8.190 nan 0.000 0.485 61 K N 4.026 124.423 120.400 -0.006 0.000 2.202 61 K HA 0.276 4.596 4.320 -0.000 0.000 0.264 61 K C 0.555 177.152 176.600 -0.005 0.000 1.010 61 K CA -0.527 55.757 56.287 -0.005 0.000 0.940 61 K CB 0.972 33.469 32.500 -0.006 0.000 0.983 61 K HN 0.460 nan 8.250 nan 0.000 0.475 62 E N 1.117 121.314 120.200 -0.005 0.000 2.265 62 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 62 E C 1.826 178.424 176.600 -0.004 0.000 0.996 62 E CA 1.615 58.013 56.400 -0.004 0.000 0.832 62 E CB -0.167 29.531 29.700 -0.004 0.000 0.756 62 E HN 0.822 nan 8.360 nan 0.000 0.491 63 S N 0.228 115.926 115.700 -0.004 0.000 2.447 63 S HA -0.038 4.431 4.470 -0.000 0.000 0.233 63 S C 2.063 176.661 174.600 -0.004 0.000 1.006 63 S CA 0.553 58.750 58.200 -0.004 0.000 0.957 63 S CB -0.264 62.933 63.200 -0.005 0.000 0.773 63 S HN 0.184 nan 8.310 nan 0.000 0.507 64 L N 0.633 121.853 121.223 -0.005 0.000 2.298 64 L HA 0.138 4.478 4.340 -0.000 0.000 0.209 64 L C 2.504 179.372 176.870 -0.002 0.000 1.084 64 L CA 0.319 55.156 54.840 -0.005 0.000 0.816 64 L CB -0.595 41.460 42.059 -0.007 0.000 0.967 64 L HN 0.201 nan 8.230 nan 0.000 0.460 65 V N 0.652 120.565 119.914 -0.002 0.000 2.332 65 V HA -0.336 3.783 4.120 -0.000 0.000 0.248 65 V C 2.229 178.324 176.094 0.001 0.000 1.055 65 V CA 2.335 64.635 62.300 -0.000 0.000 1.038 65 V CB -0.538 31.284 31.823 -0.001 0.000 0.651 65 V HN 0.492 nan 8.190 nan 0.000 0.450 66 D N -0.006 120.394 120.400 0.000 0.000 2.182 66 D HA -0.210 4.429 4.640 -0.000 0.000 0.201 66 D C 2.299 178.601 176.300 0.003 0.000 0.986 66 D CA 1.386 55.386 54.000 0.001 0.000 0.847 66 D CB -0.140 40.659 40.800 -0.001 0.000 0.942 66 D HN 0.359 nan 8.370 nan 0.000 0.467 67 R N -0.778 119.724 120.500 0.003 0.000 2.120 67 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 67 R C 2.105 178.414 176.300 0.015 0.000 1.123 67 R CA 1.053 57.158 56.100 0.008 0.000 0.975 67 R CB -0.278 30.025 30.300 0.006 0.000 0.866 67 R HN 0.302 nan 8.270 nan 0.000 0.446 68 L N -0.136 121.095 121.223 0.013 0.000 2.416 68 L HA 0.287 4.627 4.340 -0.000 0.000 0.216 68 L C 0.548 177.426 176.870 0.014 0.000 1.098 68 L CA 0.547 55.398 54.840 0.017 0.000 0.840 68 L CB 0.010 42.076 42.059 0.013 0.000 0.981 68 L HN -0.061 nan 8.230 nan 0.000 0.462 69 A N 0.603 123.428 122.820 0.009 0.000 2.425 69 A HA 0.510 4.830 4.320 -0.000 0.000 0.249 69 A C -0.422 177.165 177.584 0.006 0.000 1.084 69 A CA -0.205 51.835 52.037 0.006 0.000 0.781 69 A CB -0.089 18.913 19.000 0.003 0.000 1.019 69 A HN 0.340 nan 8.150 nan 0.000 0.490 70 L N 1.999 123.224 121.223 0.004 0.000 2.319 70 L HA 0.600 4.939 4.340 -0.000 0.000 0.267 70 L C -0.079 176.791 176.870 0.001 0.000 1.011 70 L CA -0.834 54.008 54.840 0.002 0.000 0.818 70 L CB 2.186 44.245 42.059 0.001 0.000 1.316 70 L HN 1.048 nan 8.230 nan 0.000 0.432 71 N N -2.305 116.395 118.700 0.000 0.000 3.277 71 N HA 0.213 4.952 4.740 -0.000 0.000 0.278 71 N C -0.287 175.223 175.510 -0.001 0.000 1.544 71 N CA -0.754 52.296 53.050 -0.000 0.000 0.869 71 N CB 0.378 38.866 38.487 0.000 0.000 1.584 71 N HN 0.285 nan 8.380 nan 0.000 0.564 72 D N -0.284 120.116 120.400 -0.000 0.000 2.123 72 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 72 D C 1.125 177.425 176.300 0.001 0.000 0.992 72 D CA 1.474 55.473 54.000 -0.000 0.000 0.833 72 D CB 0.006 40.807 40.800 0.000 0.000 0.954 72 D HN 0.447 nan 8.370 nan 0.000 0.455 73 K N 0.626 121.027 120.400 0.001 0.000 2.097 73 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 73 K C 2.134 178.735 176.600 0.002 0.000 1.049 73 K CA 0.827 57.115 56.287 0.002 0.000 0.933 73 K CB 0.027 32.529 32.500 0.002 0.000 0.717 73 K HN -0.004 nan 8.250 nan 0.000 0.442 74 R N -0.361 120.139 120.500 0.001 0.000 2.090 74 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 74 R C 2.173 178.473 176.300 -0.000 0.000 1.110 74 R CA 1.189 57.289 56.100 0.001 0.000 0.973 74 R CB -0.211 30.090 30.300 0.001 0.000 0.869 74 R HN 0.163 nan 8.270 nan 0.000 0.440 75 I N 0.973 121.542 120.570 -0.001 0.000 2.286 75 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 75 I C 1.347 177.463 176.117 -0.001 0.000 1.115 75 I CA 1.150 62.448 61.300 -0.003 0.000 1.392 75 I CB -0.265 37.732 38.000 -0.004 0.000 1.065 75 I HN 0.102 nan 8.210 nan 0.000 0.418 76 D N 0.947 121.348 120.400 0.001 0.000 2.149 76 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 76 D C 1.067 177.369 176.300 0.003 0.000 0.990 76 D CA 0.910 54.912 54.000 0.002 0.000 0.839 76 D CB -0.239 40.563 40.800 0.003 0.000 0.948 76 D HN 0.451 nan 8.370 nan 0.000 0.460 80 K N 2.481 122.885 120.400 0.008 0.000 2.063 80 K HA -0.121 4.198 4.320 -0.000 0.000 0.208 80 K C 1.961 178.569 176.600 0.014 0.000 1.048 80 K CA 2.003 58.297 56.287 0.011 0.000 0.928 80 K CB -0.074 32.433 32.500 0.012 0.000 0.713 80 K HN 0.384 nan 8.250 nan 0.000 0.442 81 A N 0.793 123.620 122.820 0.012 0.000 1.908 81 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 81 A C 2.447 180.040 177.584 0.015 0.000 1.181 81 A CA 1.793 53.838 52.037 0.013 0.000 0.627 81 A CB -1.165 17.839 19.000 0.007 0.000 0.818 81 A HN 0.603 nan 8.150 nan 0.000 0.445 82 C N -0.644 118.663 119.300 0.011 0.000 2.398 82 C HA -0.138 4.321 4.460 -0.000 0.000 0.276 82 C C 2.652 177.651 174.990 0.016 0.000 1.222 82 C CA 1.316 60.341 59.018 0.012 0.000 1.746 82 C CB -1.444 26.301 27.740 0.009 0.000 2.039 82 C HN 0.698 nan 8.230 nan 0.000 0.470 83 E N 0.025 120.234 120.200 0.015 0.000 2.106 83 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 83 E C 2.148 178.761 176.600 0.020 0.000 0.984 83 E CA 1.594 58.004 56.400 0.016 0.000 0.806 83 E CB -0.260 29.448 29.700 0.014 0.000 0.750 83 E HN 0.609 nan 8.360 nan 0.000 0.458 84 T N 0.743 115.311 114.554 0.023 0.000 2.708 84 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 84 T C 2.098 176.818 174.700 0.033 0.000 1.037 84 T CA 1.130 63.248 62.100 0.030 0.000 1.146 84 T CB -0.208 68.681 68.868 0.035 0.000 0.865 84 T HN -0.020 nan 8.240 nan 0.000 0.435 85 V N 1.275 121.208 119.914 0.032 0.000 2.343 85 V HA -0.123 3.996 4.120 -0.000 0.000 0.247 85 V C 2.383 178.494 176.094 0.029 0.000 1.051 85 V CA 1.374 63.694 62.300 0.034 0.000 1.036 85 V CB -0.629 31.213 31.823 0.033 0.000 0.654 85 V HN 0.468 nan 8.190 nan 0.000 0.451 86 I N 0.940 121.524 120.570 0.024 0.000 2.194 86 I HA -0.221 3.948 4.170 -0.000 0.000 0.246 86 I C 2.446 178.574 176.117 0.019 0.000 1.093 86 I CA 1.885 63.197 61.300 0.020 0.000 1.355 86 I CB -0.731 37.279 38.000 0.016 0.000 1.046 86 I HN 0.420 nan 8.210 nan 0.000 0.413 87 G N 0.694 109.506 108.800 0.020 0.000 2.534 87 G HA2 0.060 4.020 3.960 -0.000 0.000 0.217 87 G HA3 0.060 4.020 3.960 -0.000 0.000 0.217 87 G C 0.824 175.735 174.900 0.018 0.000 1.128 87 G CA -0.153 44.958 45.100 0.018 0.000 0.784 87 G HN 0.140 nan 8.290 nan 0.000 0.542 88 L N 0.592 121.829 121.223 0.023 0.000 2.452 88 L HA 0.431 4.770 4.340 -0.000 0.000 0.267 88 L C 1.097 177.975 176.870 0.013 0.000 1.188 88 L CA -0.589 54.264 54.840 0.021 0.000 0.821 88 L CB 0.401 42.481 42.059 0.034 0.000 1.102 88 L HN 0.157 nan 8.230 nan 0.000 0.470 89 K N 1.515 121.918 120.400 0.003 0.000 2.350 89 K HA 0.048 4.367 4.320 -0.000 0.000 0.279 89 K C -0.269 176.334 176.600 0.005 0.000 1.027 89 K CA -0.498 55.789 56.287 -0.001 0.000 0.969 89 K CB 0.263 32.755 32.500 -0.014 0.000 0.954 89 K HN 0.637 nan 8.250 nan 0.000 0.474 90 D N 3.674 124.079 120.400 0.009 0.000 2.371 90 D HA 0.085 4.725 4.640 -0.000 0.000 0.256 90 D C -1.181 175.127 176.300 0.013 0.000 1.193 90 D CA -2.019 51.991 54.000 0.017 0.000 0.881 90 D CB 1.557 42.367 40.800 0.016 0.000 1.143 90 D HN 0.340 nan 8.370 nan 0.000 0.473 91 P HA -0.043 nan 4.420 nan 0.000 0.231 91 P C 0.382 177.697 177.300 0.024 0.000 1.168 91 P CA -0.055 63.054 63.100 0.016 0.000 0.779 91 P CB 0.339 32.056 31.700 0.027 0.000 0.844 92 V N 1.078 121.013 119.914 0.034 0.000 2.585 92 V HA 0.300 4.420 4.120 -0.000 0.000 0.296 92 V C 1.854 177.958 176.094 0.018 0.000 1.035 92 V CA 1.504 63.826 62.300 0.037 0.000 1.084 92 V CB -0.307 31.542 31.823 0.043 0.000 0.953 92 V HN 0.505 nan 8.190 nan 0.000 0.483 93 G N 3.455 112.263 108.800 0.015 0.000 2.205 93 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 93 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 93 G C 0.118 175.013 174.900 -0.008 0.000 0.980 93 G CA 0.247 45.347 45.100 0.000 0.000 0.632 93 G HN 0.705 nan 8.290 nan 0.000 0.533 94 E N 0.170 120.366 120.200 -0.007 0.000 2.414 94 E HA 0.352 4.702 4.350 -0.000 0.000 0.263 94 E C 0.333 176.915 176.600 -0.030 0.000 1.000 94 E CA -0.193 56.195 56.400 -0.020 0.000 0.914 94 E CB 1.466 31.152 29.700 -0.024 0.000 0.948 94 E HN 0.121 nan 8.360 nan 0.000 0.444 95 V N 5.244 125.136 119.914 -0.037 0.000 2.432 95 V HA 0.008 4.128 4.120 -0.000 0.000 0.271 95 V C 1.280 177.340 176.094 -0.057 0.000 1.046 95 V CA 0.218 62.489 62.300 -0.049 0.000 0.945 95 V CB 0.798 32.597 31.823 -0.041 0.000 0.992 95 V HN 0.670 nan 8.190 nan 0.000 0.471 96 I N 3.229 123.747 120.570 -0.088 0.000 2.163 96 I HA -0.032 4.138 4.170 -0.000 0.000 0.240 96 I C 0.529 176.611 176.117 -0.058 0.000 1.081 96 I CA 1.242 62.477 61.300 -0.108 0.000 1.353 96 I CB 0.099 37.974 38.000 -0.209 0.000 1.054 96 I HN 0.855 nan 8.210 nan 0.000 0.407 97 D N -1.544 118.848 120.400 -0.014 0.000 2.622 97 D HA 0.494 5.134 4.640 -0.000 0.000 0.255 97 D C -0.851 175.548 176.300 0.166 0.000 1.246 97 D CA -0.675 53.386 54.000 0.102 0.000 0.795 97 D CB 1.693 42.582 40.800 0.149 0.000 1.369 97 D HN -0.107 nan 8.370 nan 0.000 0.425 98 S N -0.651 115.206 115.700 0.263 0.000 2.542 98 S HA 0.732 5.202 4.470 -0.000 0.000 0.276 98 S C -2.138 172.632 174.600 0.283 0.000 1.148 98 S CA -0.895 57.369 58.200 0.108 0.000 0.886 98 S CB 0.397 63.562 63.200 -0.058 0.000 1.109 98 S HN 0.733 nan 8.310 nan 0.000 0.458 99 W N 1.969 123.266 121.300 -0.004 0.000 3.042 99 W HA 0.799 5.459 4.660 -0.000 0.000 0.342 99 W C -2.151 174.366 176.519 -0.003 0.000 1.240 99 W CA -1.111 56.232 57.345 -0.003 0.000 1.166 99 W CB 0.470 29.931 29.460 0.001 0.000 1.469 99 W HN 0.428 nan 8.180 nan 0.000 0.579 100 V N 3.366 123.370 119.914 0.149 0.000 2.384 100 V HA 0.455 4.575 4.120 -0.000 0.000 0.287 100 V C 0.550 176.752 176.094 0.179 0.000 1.020 100 V CA -1.049 61.283 62.300 0.053 0.000 0.850 100 V CB 0.782 32.631 31.823 0.044 0.000 0.987 100 V HN 0.614 nan 8.190 nan 0.000 0.436 101 R N 2.350 122.929 120.500 0.132 0.000 2.738 101 R HA 0.114 4.454 4.340 -0.000 0.000 0.275 101 R C 1.438 177.810 176.300 0.119 0.000 1.121 101 R CA -0.086 56.119 56.100 0.176 0.000 1.207 101 R CB 0.733 31.104 30.300 0.119 0.000 1.141 101 R HN 0.937 nan 8.270 nan 0.000 0.571 102 E N 0.563 120.828 120.200 0.108 0.000 2.204 102 E HA -0.204 4.145 4.350 -0.000 0.000 0.195 102 E C 0.605 177.257 176.600 0.087 0.000 0.990 102 E CA 1.737 58.187 56.400 0.084 0.000 0.821 102 E CB -0.135 29.605 29.700 0.068 0.000 0.750 102 E HN 0.626 nan 8.360 nan 0.000 0.477 103 D N -0.514 119.951 120.400 0.109 0.000 2.328 103 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 103 D C 1.320 177.763 176.300 0.238 0.000 1.072 103 D CA 0.372 54.464 54.000 0.155 0.000 0.850 103 D CB 0.284 41.196 40.800 0.188 0.000 0.922 103 D HN 0.347 nan 8.370 nan 0.000 0.516 104 G N 0.122 109.007 108.800 0.141 0.000 2.195 104 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 104 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 104 G C -0.055 174.831 174.900 -0.022 0.000 0.984 104 G CA 0.061 45.232 45.100 0.118 0.000 0.633 104 G HN 0.438 nan 8.290 nan 0.000 0.525 105 L N 1.895 123.004 121.223 -0.190 0.000 2.477 105 L HA 0.563 4.903 4.340 -0.000 0.000 0.272 105 L C 1.003 177.716 176.870 -0.262 0.000 1.157 105 L CA -0.280 54.289 54.840 -0.452 0.000 0.889 105 L CB 0.398 42.164 42.059 -0.488 0.000 1.158 105 L HN 0.347 nan 8.230 nan 0.000 0.473 106 R N 5.392 125.740 120.500 -0.253 0.000 2.340 106 R HA 0.532 4.872 4.340 -0.000 0.000 0.300 106 R C -1.044 175.046 176.300 -0.350 0.000 1.069 106 R CA -0.252 55.691 56.100 -0.263 0.000 0.984 106 R CB 0.394 30.581 30.300 -0.187 0.000 1.003 106 R HN 0.739 nan 8.270 nan 0.000 0.459 107 I N 3.382 123.603 120.570 -0.583 0.000 2.509 107 I HA 0.537 4.707 4.170 -0.000 0.000 0.293 107 I C -0.572 175.081 176.117 -0.774 0.000 1.020 107 I CA -0.760 60.128 61.300 -0.687 0.000 1.088 107 I CB 2.171 39.611 38.000 -0.933 0.000 1.267 107 I HN 0.740 nan 8.210 nan 0.000 0.430 108 A N 6.015 128.586 122.820 -0.416 0.000 2.498 108 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 108 A C -0.940 176.489 177.584 -0.259 0.000 1.075 108 A CA -0.750 51.101 52.037 -0.310 0.000 0.714 108 A CB 1.785 20.672 19.000 -0.188 0.000 1.299 108 A HN 0.704 nan 8.150 nan 0.000 0.407 109 R N 0.679 121.018 120.500 -0.268 0.000 2.387 109 R HA 0.614 4.954 4.340 -0.000 0.000 0.314 109 R C -1.472 174.720 176.300 -0.181 0.000 0.958 109 R CA -0.441 55.439 56.100 -0.366 0.000 0.846 109 R CB 1.867 31.865 30.300 -0.503 0.000 1.147 109 R HN 0.468 nan 8.270 nan 0.000 0.447 110 V N 3.855 123.712 119.914 -0.095 0.000 2.588 110 V HA 0.405 4.524 4.120 -0.000 0.000 0.304 110 V C 0.121 176.238 176.094 0.039 0.000 1.042 110 V CA -1.054 61.226 62.300 -0.033 0.000 0.877 110 V CB 2.072 33.878 31.823 -0.028 0.000 0.996 110 V HN 0.691 nan 8.190 nan 0.000 0.425 111 R N 2.492 123.016 120.500 0.039 0.000 2.491 111 R HA 0.584 4.923 4.340 -0.000 0.000 0.283 111 R C -0.440 175.905 176.300 0.075 0.000 1.072 111 R CA -0.142 56.007 56.100 0.081 0.000 1.048 111 R CB 1.323 31.655 30.300 0.054 0.000 0.983 111 R HN 0.689 nan 8.270 nan 0.000 0.450 112 V N 0.381 120.356 119.914 0.103 0.000 3.078 112 V HA 0.568 4.687 4.120 -0.000 0.000 0.311 112 V C -2.694 173.497 176.094 0.161 0.000 1.138 112 V CA -3.231 59.136 62.300 0.112 0.000 1.007 112 V CB 2.134 34.019 31.823 0.103 0.000 1.045 112 V HN 0.535 nan 8.190 nan 0.000 0.432 113 P HA 0.257 nan 4.420 nan 0.000 0.267 113 P C 0.874 178.334 177.300 0.266 0.000 1.200 113 P CA 0.153 63.427 63.100 0.291 0.000 0.772 113 P CB 0.672 32.668 31.700 0.494 0.000 0.855 114 I N 0.890 121.526 120.570 0.111 0.000 2.394 114 I HA -0.014 4.156 4.170 -0.000 0.000 0.251 114 I C 0.897 176.852 176.117 -0.271 0.000 1.136 114 I CA 1.733 63.010 61.300 -0.037 0.000 1.425 114 I CB -0.496 37.459 38.000 -0.074 0.000 1.079 114 I HN 0.665 nan 8.210 nan 0.000 0.425 115 G N -0.333 108.152 108.800 -0.526 0.000 2.353 115 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.615 115 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.615 115 G C -2.983 171.400 174.900 -0.863 0.000 1.280 115 G CA -0.923 43.352 45.100 -1.376 0.000 1.000 115 G HN -0.012 nan 8.290 nan 0.000 0.516 116 P HA 0.441 nan 4.420 nan 0.000 0.267 116 P C -0.147 177.035 177.300 -0.198 0.000 1.205 116 P CA 0.103 63.010 63.100 -0.322 0.000 0.765 116 P CB 0.438 32.029 31.700 -0.181 0.000 0.828 117 I N 2.500 123.007 120.570 -0.105 0.000 2.354 117 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 117 I C 1.008 177.120 176.117 -0.010 0.000 0.989 117 I CA -0.506 60.759 61.300 -0.058 0.000 1.188 117 I CB 1.732 39.710 38.000 -0.036 0.000 1.342 117 I HN 0.319 nan 8.210 nan 0.000 0.457 118 G N 7.448 116.249 108.800 0.002 0.000 2.333 118 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 118 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 118 G C -0.375 174.562 174.900 0.062 0.000 1.150 118 G CA -0.333 44.790 45.100 0.037 0.000 0.895 118 G HN 0.372 nan 8.290 nan 0.000 0.444 119 I N 3.411 124.045 120.570 0.107 0.000 2.339 119 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 119 I C -0.252 176.035 176.117 0.283 0.000 0.994 119 I CA -0.678 60.714 61.300 0.153 0.000 1.191 119 I CB 1.495 39.547 38.000 0.088 0.000 1.343 119 I HN 0.293 nan 8.210 nan 0.000 0.458 120 I N 8.670 129.384 120.570 0.240 0.000 2.354 120 I HA 0.349 4.519 4.170 -0.000 0.000 0.286 120 I C -0.544 175.728 176.117 0.259 0.000 1.007 120 I CA -0.539 60.882 61.300 0.201 0.000 1.167 120 I CB 0.855 38.924 38.000 0.115 0.000 1.320 120 I HN 0.509 nan 8.210 nan 0.000 0.458 121 Y N 3.837 124.159 120.300 0.037 0.000 2.677 121 Y HA 0.669 5.219 4.550 -0.000 0.000 0.334 121 Y C -0.199 175.717 175.900 0.027 0.000 1.154 121 Y CA -1.031 57.088 58.100 0.031 0.000 1.070 121 Y CB 1.042 39.526 38.460 0.039 0.000 1.294 121 Y HN 0.320 nan 8.280 nan 0.000 0.475 122 E N 0.508 120.760 120.200 0.086 0.000 3.536 122 E HA 0.087 4.437 4.350 -0.000 0.000 0.381 122 E C 0.951 177.555 176.600 0.007 0.000 0.471 122 E CA 0.584 56.975 56.400 -0.016 0.000 2.090 122 E CB -0.251 29.454 29.700 0.008 0.000 2.208 122 E HN 0.620 nan 8.360 nan 0.000 0.475 123 S N 0.057 115.788 115.700 0.050 0.000 2.524 123 S HA 0.100 4.570 4.470 -0.000 0.000 0.215 123 S C 0.585 175.239 174.600 0.089 0.000 0.986 123 S CA -0.375 57.854 58.200 0.048 0.000 0.911 123 S CB -0.021 63.191 63.200 0.020 0.000 0.805 123 S HN 0.135 nan 8.310 nan 0.000 0.501 124 R N 2.106 122.682 120.500 0.126 0.000 2.248 124 R HA 0.283 4.623 4.340 -0.000 0.000 0.337 124 R C -2.212 174.167 176.300 0.132 0.000 1.085 124 R CA -1.729 54.429 56.100 0.097 0.000 0.934 124 R CB 0.171 30.510 30.300 0.065 0.000 1.034 124 R HN 0.238 nan 8.270 nan 0.000 0.465 125 P HA -0.186 nan 4.420 nan 0.000 0.220 125 P C 0.592 177.922 177.300 0.049 0.000 1.148 125 P CA 0.984 64.143 63.100 0.099 0.000 0.803 125 P CB 0.070 31.799 31.700 0.048 0.000 0.782 126 N N 0.082 118.794 118.700 0.020 0.000 2.258 126 N HA -0.118 4.621 4.740 -0.000 0.000 0.187 126 N C 1.450 176.933 175.510 -0.046 0.000 1.012 126 N CA 1.212 54.256 53.050 -0.010 0.000 0.870 126 N CB -1.471 37.011 38.487 -0.008 0.000 0.977 126 N HN 0.049 nan 8.380 nan 0.000 0.434 127 V N 1.406 121.280 119.914 -0.068 0.000 2.469 127 V HA -0.207 3.913 4.120 -0.000 0.000 0.251 127 V C 2.442 178.351 176.094 -0.308 0.000 1.064 127 V CA 2.059 64.240 62.300 -0.197 0.000 1.066 127 V CB -1.113 30.555 31.823 -0.258 0.000 0.667 127 V HN 0.408 nan 8.190 nan 0.000 0.461 128 T N 0.038 114.460 114.554 -0.219 0.000 2.635 128 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 128 T C 1.911 176.554 174.700 -0.095 0.000 1.040 128 T CA 1.920 63.936 62.100 -0.139 0.000 1.156 128 T CB -0.280 68.596 68.868 0.013 0.000 0.863 128 T HN 0.319 nan 8.240 nan 0.000 0.430 129 V N 1.216 121.090 119.914 -0.067 0.000 2.323 129 V HA -0.130 3.989 4.120 -0.000 0.000 0.244 129 V C 2.480 178.547 176.094 -0.046 0.000 1.041 129 V CA 1.637 63.911 62.300 -0.044 0.000 1.025 129 V CB -0.623 31.183 31.823 -0.029 0.000 0.656 129 V HN 0.518 nan 8.190 nan 0.000 0.451 130 E N 0.559 120.724 120.200 -0.059 0.000 2.058 130 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 130 E C 2.307 178.878 176.600 -0.048 0.000 0.997 130 E CA 2.143 58.516 56.400 -0.046 0.000 0.801 130 E CB -0.341 29.328 29.700 -0.052 0.000 0.746 130 E HN 0.827 nan 8.360 nan 0.000 0.450 131 T N -1.628 112.874 114.554 -0.087 0.000 2.812 131 T HA -0.088 4.262 4.350 -0.000 0.000 0.264 131 T C 2.116 176.796 174.700 -0.033 0.000 1.042 131 T CA 1.449 63.506 62.100 -0.071 0.000 1.140 131 T CB -0.609 68.182 68.868 -0.128 0.000 0.870 131 T HN -0.035 nan 8.240 nan 0.000 0.445 132 T N 3.275 117.809 114.554 -0.033 0.000 2.684 132 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 132 T C 1.967 176.675 174.700 0.014 0.000 1.036 132 T CA 1.825 63.925 62.100 0.000 0.000 1.148 132 T CB -0.600 68.269 68.868 0.001 0.000 0.863 132 T HN 0.731 nan 8.240 nan 0.000 0.436 133 I N -0.906 119.668 120.570 0.007 0.000 2.439 133 I HA 0.019 4.189 4.170 -0.000 0.000 0.251 133 I C 2.179 178.313 176.117 0.028 0.000 1.139 133 I CA 1.250 62.561 61.300 0.018 0.000 1.438 133 I CB -0.617 37.391 38.000 0.013 0.000 1.085 133 I HN 0.147 nan 8.210 nan 0.000 0.427 134 L N 1.528 122.766 121.223 0.026 0.000 2.056 134 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 134 L C 3.101 180.001 176.870 0.049 0.000 1.078 134 L CA 1.396 56.260 54.840 0.040 0.000 0.749 134 L CB -0.636 41.446 42.059 0.038 0.000 0.901 134 L HN 0.364 nan 8.230 nan 0.000 0.433 135 A N 0.146 122.991 122.820 0.042 0.000 1.858 135 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 135 A C 2.222 179.850 177.584 0.074 0.000 1.190 135 A CA 1.411 53.480 52.037 0.053 0.000 0.617 135 A CB -0.768 18.257 19.000 0.041 0.000 0.827 135 A HN 0.335 nan 8.150 nan 0.000 0.443 136 L N -0.839 120.423 121.223 0.065 0.000 2.042 136 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 136 L C 2.643 179.555 176.870 0.070 0.000 1.076 136 L CA 1.965 56.848 54.840 0.073 0.000 0.749 136 L CB -0.458 41.634 42.059 0.055 0.000 0.893 136 L HN 0.415 nan 8.230 nan 0.000 0.432 137 K N 0.822 121.257 120.400 0.058 0.000 2.097 137 K HA -0.152 4.167 4.320 -0.000 0.000 0.206 137 K C 1.945 178.583 176.600 0.063 0.000 1.049 137 K CA 1.735 58.054 56.287 0.053 0.000 0.933 137 K CB -0.191 32.338 32.500 0.048 0.000 0.717 137 K HN 0.327 nan 8.250 nan 0.000 0.442 138 S N -1.237 114.510 115.700 0.078 0.000 2.671 138 S HA 0.206 4.676 4.470 -0.000 0.000 0.220 138 S C 1.166 175.841 174.600 0.126 0.000 0.951 138 S CA 0.123 58.378 58.200 0.092 0.000 0.932 138 S CB -0.133 63.124 63.200 0.094 0.000 0.777 138 S HN 0.537 nan 8.310 nan 0.000 0.508 139 G N 1.495 110.374 108.800 0.131 0.000 2.143 139 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.248 139 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.248 139 G C -0.342 174.766 174.900 0.347 0.000 0.991 139 G CA -0.123 45.086 45.100 0.181 0.000 0.689 139 G HN 0.567 nan 8.290 nan 0.000 0.522 140 N N 1.086 119.942 118.700 0.261 0.000 2.399 140 N HA 0.525 5.265 4.740 -0.000 0.000 0.295 140 N C 0.693 176.313 175.510 0.183 0.000 1.048 140 N CA 0.376 53.561 53.050 0.225 0.000 0.886 140 N CB 1.549 40.076 38.487 0.066 0.000 1.185 140 N HN 0.480 nan 8.380 nan 0.000 0.487 141 T N -0.875 113.794 114.554 0.191 0.000 2.754 141 T HA 0.578 4.928 4.350 -0.000 0.000 0.286 141 T C 0.452 175.182 174.700 0.050 0.000 0.997 141 T CA -0.541 61.640 62.100 0.134 0.000 0.982 141 T CB 0.958 69.929 68.868 0.171 0.000 1.027 141 T HN 0.466 nan 8.240 nan 0.000 0.529 142 I N 0.642 121.248 120.570 0.061 0.000 2.656 142 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 142 I C -1.890 174.270 176.117 0.071 0.000 1.144 142 I CA -1.493 59.838 61.300 0.052 0.000 1.038 142 I CB 2.007 40.039 38.000 0.053 0.000 1.244 142 I HN 0.640 nan 8.210 nan 0.000 0.420 143 L N 8.331 129.594 121.223 0.067 0.000 2.298 143 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 143 L C -1.533 175.412 176.870 0.124 0.000 1.013 143 L CA -0.189 54.698 54.840 0.079 0.000 0.824 143 L CB 1.258 43.341 42.059 0.041 0.000 1.221 143 L HN 0.476 nan 8.230 nan 0.000 0.418 144 L N 5.599 126.939 121.223 0.196 0.000 2.282 144 L HA 0.620 4.960 4.340 -0.000 0.000 0.288 144 L C 0.091 177.074 176.870 0.188 0.000 1.033 144 L CA -0.466 54.584 54.840 0.350 0.000 0.807 144 L CB 1.128 43.523 42.059 0.561 0.000 1.209 144 L HN 0.526 nan 8.230 nan 0.000 0.423 145 R N 2.909 123.493 120.500 0.140 0.000 2.407 145 R HA 0.477 4.817 4.340 -0.000 0.000 0.298 145 R C -0.474 175.578 176.300 -0.414 0.000 1.166 145 R CA -0.242 55.764 56.100 -0.156 0.000 1.006 145 R CB 1.427 31.653 30.300 -0.123 0.000 1.145 145 R HN 0.778 nan 8.270 nan 0.000 0.538 146 G N 0.977 109.380 108.800 -0.661 0.000 2.568 146 G HA2 0.491 4.451 3.960 -0.000 0.000 0.293 146 G HA3 0.491 4.451 3.960 -0.000 0.000 0.293 146 G C -0.323 174.315 174.900 -0.437 0.000 1.347 146 G CA -0.507 43.923 45.100 -1.116 0.000 1.039 146 G HN 0.516 nan 8.290 nan 0.000 0.523 147 G N -1.331 107.285 108.800 -0.307 0.000 2.539 147 G HA2 0.375 4.335 3.960 -0.000 0.000 0.258 147 G HA3 0.375 4.335 3.960 -0.000 0.000 0.258 147 G C 1.304 176.155 174.900 -0.082 0.000 1.202 147 G CA 0.756 45.769 45.100 -0.146 0.000 0.851 147 G HN 1.100 nan 8.290 nan 0.000 0.556 148 S N 0.079 115.740 115.700 -0.066 0.000 2.447 148 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 148 S C 1.408 175.999 174.600 -0.015 0.000 1.006 148 S CA 1.596 59.773 58.200 -0.038 0.000 0.957 148 S CB -0.094 63.080 63.200 -0.044 0.000 0.773 148 S HN 0.484 nan 8.310 nan 0.000 0.507 149 D N 2.340 122.729 120.400 -0.018 0.000 2.178 149 D HA 0.114 4.753 4.640 -0.000 0.000 0.202 149 D C 1.719 178.024 176.300 0.008 0.000 0.974 149 D CA 1.406 55.402 54.000 -0.006 0.000 0.841 149 D CB -0.346 40.449 40.800 -0.008 0.000 0.953 149 D HN 0.634 nan 8.370 nan 0.000 0.478 150 A N -0.130 122.699 122.820 0.016 0.000 2.387 150 A HA 0.175 4.494 4.320 -0.000 0.000 0.234 150 A C 1.703 179.320 177.584 0.056 0.000 1.253 150 A CA -0.259 51.798 52.037 0.034 0.000 0.894 150 A CB -0.114 18.916 19.000 0.049 0.000 0.963 150 A HN 0.131 nan 8.150 nan 0.000 0.508 151 L N 0.636 121.901 121.223 0.070 0.000 2.012 151 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 151 L C 1.883 178.813 176.870 0.100 0.000 1.073 151 L CA 2.293 57.215 54.840 0.137 0.000 0.748 151 L CB -0.607 41.511 42.059 0.098 0.000 0.891 151 L HN 0.460 nan 8.230 nan 0.000 0.431 152 N N -0.984 117.745 118.700 0.048 0.000 2.142 152 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 152 N C 1.797 177.301 175.510 -0.010 0.000 1.023 152 N CA 1.565 54.628 53.050 0.023 0.000 0.852 152 N CB -0.229 38.267 38.487 0.015 0.000 0.998 152 N HN 0.374 nan 8.380 nan 0.000 0.424 153 S N 1.640 117.334 115.700 -0.010 0.000 2.359 153 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 153 S C 1.629 176.180 174.600 -0.082 0.000 1.035 153 S CA 0.975 59.158 58.200 -0.028 0.000 1.018 153 S CB -0.223 62.974 63.200 -0.005 0.000 0.876 153 S HN 0.361 nan 8.310 nan 0.000 0.448 154 N N 1.139 119.772 118.700 -0.112 0.000 2.244 154 N HA 0.009 4.749 4.740 -0.000 0.000 0.183 154 N C 1.572 176.719 175.510 -0.604 0.000 1.016 154 N CA 0.784 53.644 53.050 -0.316 0.000 0.866 154 N CB -0.196 38.124 38.487 -0.278 0.000 0.980 154 N HN 0.416 nan 8.380 nan 0.000 0.430 155 K N 0.856 121.012 120.400 -0.406 0.000 2.032 155 K HA -0.023 4.296 4.320 -0.000 0.000 0.209 155 K C 2.037 178.526 176.600 -0.185 0.000 1.048 155 K CA 1.342 57.460 56.287 -0.281 0.000 0.927 155 K CB -0.153 32.329 32.500 -0.031 0.000 0.712 155 K HN 0.114 nan 8.250 nan 0.000 0.441 156 A N 1.292 124.040 122.820 -0.119 0.000 1.902 156 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 156 A C 2.111 179.642 177.584 -0.089 0.000 1.181 156 A CA 1.330 53.321 52.037 -0.077 0.000 0.623 156 A CB -0.554 18.416 19.000 -0.049 0.000 0.818 156 A HN 0.193 nan 8.150 nan 0.000 0.443 157 I N -0.653 119.846 120.570 -0.118 0.000 2.202 157 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 157 I C 2.333 178.383 176.117 -0.112 0.000 1.091 157 I CA 1.073 62.313 61.300 -0.100 0.000 1.368 157 I CB -0.252 37.690 38.000 -0.096 0.000 1.058 157 I HN 0.146 nan 8.210 nan 0.000 0.410 158 V N -0.128 119.672 119.914 -0.190 0.000 2.407 158 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 158 V C 2.595 178.645 176.094 -0.073 0.000 1.055 158 V CA 2.153 64.362 62.300 -0.151 0.000 1.049 158 V CB -0.506 31.162 31.823 -0.259 0.000 0.662 158 V HN 0.481 nan 8.190 nan 0.000 0.455 159 S N -0.040 115.616 115.700 -0.073 0.000 2.356 159 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 159 S C 2.163 176.749 174.600 -0.023 0.000 1.032 159 S CA 1.679 59.860 58.200 -0.032 0.000 1.005 159 S CB -0.315 62.869 63.200 -0.028 0.000 0.867 159 S HN 0.614 nan 8.310 nan 0.000 0.449 160 A N 1.414 124.216 122.820 -0.031 0.000 1.902 160 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 160 A C 2.141 179.716 177.584 -0.014 0.000 1.181 160 A CA 1.569 53.593 52.037 -0.020 0.000 0.623 160 A CB -0.840 18.145 19.000 -0.024 0.000 0.818 160 A HN 0.631 nan 8.150 nan 0.000 0.443 161 I N -0.918 119.641 120.570 -0.018 0.000 2.163 161 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 161 I C 2.799 178.918 176.117 0.004 0.000 1.085 161 I CA 1.700 62.996 61.300 -0.007 0.000 1.347 161 I CB -0.314 37.681 38.000 -0.009 0.000 1.044 161 I HN 0.289 nan 8.210 nan 0.000 0.408 162 R N 0.328 120.831 120.500 0.005 0.000 2.115 162 R HA -0.130 4.210 4.340 -0.000 0.000 0.230 162 R C 2.168 178.475 176.300 0.011 0.000 1.111 162 R CA 1.013 57.122 56.100 0.014 0.000 0.976 162 R CB -0.214 30.097 30.300 0.020 0.000 0.870 162 R HN 0.428 nan 8.270 nan 0.000 0.445 163 E N 0.493 120.697 120.200 0.006 0.000 2.085 163 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 163 E C 2.029 178.632 176.600 0.006 0.000 0.994 163 E CA 1.264 57.667 56.400 0.005 0.000 0.801 163 E CB -0.067 29.634 29.700 0.001 0.000 0.743 163 E HN 0.373 nan 8.360 nan 0.000 0.453 164 A N 1.099 123.922 122.820 0.005 0.000 1.873 164 A HA -0.150 4.169 4.320 -0.000 0.000 0.215 164 A C 2.179 179.769 177.584 0.010 0.000 1.186 164 A CA 0.962 53.004 52.037 0.007 0.000 0.616 164 A CB -0.612 18.392 19.000 0.006 0.000 0.823 164 A HN 0.142 nan 8.150 nan 0.000 0.442 165 L N -0.686 120.545 121.223 0.013 0.000 2.083 165 L HA -0.182 4.157 4.340 -0.000 0.000 0.209 165 L C 2.514 179.393 176.870 0.015 0.000 1.083 165 L CA 1.414 56.264 54.840 0.017 0.000 0.752 165 L CB -0.477 41.596 42.059 0.024 0.000 0.899 165 L HN 0.357 nan 8.230 nan 0.000 0.433 166 K N 0.398 120.807 120.400 0.014 0.000 2.281 166 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 166 K C 1.317 177.923 176.600 0.010 0.000 1.046 166 K CA 1.132 57.426 56.287 0.012 0.000 0.938 166 K CB 0.008 32.515 32.500 0.011 0.000 0.737 166 K HN 0.457 nan 8.250 nan 0.000 0.458 167 E N 0.342 120.547 120.200 0.009 0.000 2.437 167 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 167 E C 0.395 177.000 176.600 0.007 0.000 1.054 167 E CA 0.049 56.453 56.400 0.007 0.000 0.874 167 E CB 0.558 30.262 29.700 0.006 0.000 1.011 167 E HN 0.292 nan 8.360 nan 0.000 0.474 168 T N -3.493 111.066 114.554 0.009 0.000 2.724 168 T HA 0.281 4.630 4.350 -0.000 0.000 0.274 168 T C 0.685 175.389 174.700 0.008 0.000 0.984 168 T CA -0.778 61.326 62.100 0.008 0.000 1.024 168 T CB 1.316 70.190 68.868 0.010 0.000 1.320 168 T HN -0.153 nan 8.240 nan 0.000 0.555 169 E N -0.273 119.930 120.200 0.006 0.000 2.474 169 E HA 0.193 4.543 4.350 -0.000 0.000 0.194 169 E C 0.097 176.701 176.600 0.007 0.000 1.041 169 E CA -0.094 56.309 56.400 0.004 0.000 0.874 169 E CB 0.115 29.815 29.700 -0.001 0.000 0.914 169 E HN 0.433 nan 8.360 nan 0.000 0.498 170 I N 3.042 123.619 120.570 0.012 0.000 2.396 170 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 170 I C -2.240 173.892 176.117 0.024 0.000 1.056 170 I CA -2.865 58.446 61.300 0.019 0.000 1.365 170 I CB -0.109 37.906 38.000 0.025 0.000 1.407 170 I HN -0.272 nan 8.210 nan 0.000 0.509 171 P HA 0.060 nan 4.420 nan 0.000 0.268 171 P C 0.870 178.192 177.300 0.038 0.000 1.205 171 P CA -0.099 63.020 63.100 0.031 0.000 0.771 171 P CB 0.886 32.608 31.700 0.037 0.000 0.858 172 E N 1.661 121.881 120.200 0.033 0.000 2.153 172 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 172 E C 1.100 177.726 176.600 0.044 0.000 0.988 172 E CA 1.436 57.857 56.400 0.034 0.000 0.811 172 E CB -0.078 29.639 29.700 0.028 0.000 0.746 172 E HN 0.485 nan 8.360 nan 0.000 0.466 173 S N -0.526 115.201 115.700 0.046 0.000 2.660 173 S HA 0.055 4.524 4.470 -0.000 0.000 0.223 173 S C 1.666 176.306 174.600 0.068 0.000 0.963 173 S CA 0.361 58.592 58.200 0.052 0.000 0.932 173 S CB 0.358 63.585 63.200 0.045 0.000 0.775 173 S HN 0.031 nan 8.310 nan 0.000 0.531 174 S N 0.888 116.632 115.700 0.072 0.000 2.442 174 S HA 0.061 4.531 4.470 -0.000 0.000 0.236 174 S C 0.526 175.177 174.600 0.084 0.000 1.007 174 S CA 0.562 58.816 58.200 0.090 0.000 0.965 174 S CB -0.143 63.108 63.200 0.085 0.000 0.773 174 S HN 0.487 nan 8.310 nan 0.000 0.504 175 V N 2.516 122.475 119.914 0.074 0.000 2.409 175 V HA 0.414 4.534 4.120 -0.000 0.000 0.290 175 V C -0.562 175.590 176.094 0.096 0.000 1.017 175 V CA -0.610 61.739 62.300 0.082 0.000 0.841 175 V CB 1.688 33.551 31.823 0.068 0.000 1.003 175 V HN 0.091 nan 8.190 nan 0.000 0.426 176 E N 3.328 123.596 120.200 0.113 0.000 2.277 176 E HA 0.595 4.945 4.350 -0.000 0.000 0.266 176 E C -1.495 175.228 176.600 0.205 0.000 0.901 176 E CA -0.646 55.830 56.400 0.127 0.000 0.782 176 E CB 3.364 33.106 29.700 0.070 0.000 1.228 176 E HN 0.484 nan 8.360 nan 0.000 0.424 177 F N 2.524 122.493 119.950 0.030 0.000 2.562 177 F HA 0.337 4.864 4.527 -0.001 0.000 0.319 177 F C -1.139 174.670 175.800 0.015 0.000 1.154 177 F CA -0.940 57.083 58.000 0.038 0.000 0.931 177 F CB 0.762 39.790 39.000 0.046 0.000 1.198 177 F HN 0.221 nan 8.300 nan 0.000 0.444 178 I N 6.340 126.522 120.570 -0.645 0.000 2.379 178 I HA 0.126 4.296 4.170 -0.000 0.000 0.290 178 I C 1.018 176.626 176.117 -0.850 0.000 1.063 178 I CA 0.402 61.379 61.300 -0.537 0.000 1.351 178 I CB 0.958 38.750 38.000 -0.346 0.000 1.410 178 I HN 0.761 nan 8.210 nan 0.000 0.505 179 E N 3.619 123.543 120.200 -0.461 0.000 2.318 179 E HA -0.057 4.292 4.350 -0.000 0.000 0.193 179 E C 0.646 177.139 176.600 -0.177 0.000 0.998 179 E CA 0.108 56.345 56.400 -0.271 0.000 0.859 179 E CB 0.203 29.878 29.700 -0.040 0.000 0.812 179 E HN 0.483 nan 8.360 nan 0.000 0.492 180 N N 1.992 120.593 118.700 -0.165 0.000 2.416 180 N HA -0.058 4.682 4.740 -0.000 0.000 0.265 180 N C 0.861 176.288 175.510 -0.138 0.000 1.195 180 N CA 0.407 53.387 53.050 -0.117 0.000 0.943 180 N CB 1.243 39.675 38.487 -0.091 0.000 1.115 180 N HN -0.010 nan 8.380 nan 0.000 0.481 181 T N 1.273 115.761 114.554 -0.110 0.000 2.915 181 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 181 T C 0.522 175.165 174.700 -0.096 0.000 1.071 181 T CA 0.479 62.513 62.100 -0.110 0.000 1.132 181 T CB -0.332 68.488 68.868 -0.080 0.000 0.878 181 T HN 0.526 nan 8.240 nan 0.000 0.479 182 D N 0.781 121.135 120.400 -0.077 0.000 2.648 182 D HA -0.061 4.579 4.640 -0.000 0.000 0.229 182 D C 1.003 177.263 176.300 -0.067 0.000 1.119 182 D CA 0.078 54.039 54.000 -0.065 0.000 0.850 182 D CB 0.902 41.672 40.800 -0.050 0.000 1.169 182 D HN 0.219 nan 8.370 nan 0.000 0.489 183 R N 1.722 122.177 120.500 -0.075 0.000 2.236 183 R HA -0.063 4.276 4.340 -0.000 0.000 0.208 183 R C 2.421 178.694 176.300 -0.046 0.000 1.036 183 R CA 0.894 56.943 56.100 -0.085 0.000 1.001 183 R CB -1.110 29.101 30.300 -0.148 0.000 0.896 183 R HN 0.693 nan 8.270 nan 0.000 0.464 184 S N 1.235 116.917 115.700 -0.029 0.000 2.400 184 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 184 S C 1.913 176.534 174.600 0.035 0.000 1.025 184 S CA 1.180 59.390 58.200 0.016 0.000 0.993 184 S CB -0.370 62.833 63.200 0.006 0.000 0.808 184 S HN 0.240 nan 8.310 nan 0.000 0.478 185 L N 1.525 122.751 121.223 0.006 0.000 2.083 185 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 185 L C 2.682 179.569 176.870 0.029 0.000 1.083 185 L CA 1.032 55.874 54.840 0.002 0.000 0.752 185 L CB -0.860 41.178 42.059 -0.035 0.000 0.899 185 L HN 0.220 nan 8.230 nan 0.000 0.433 186 V N -0.728 119.216 119.914 0.050 0.000 2.287 186 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 186 V C 2.418 178.604 176.094 0.154 0.000 1.053 186 V CA 1.745 64.108 62.300 0.105 0.000 1.027 186 V CB -0.637 31.271 31.823 0.142 0.000 0.646 186 V HN 0.397 nan 8.190 nan 0.000 0.447 187 L N -0.025 121.328 121.223 0.217 0.000 2.079 187 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 187 L C 1.611 178.518 176.870 0.062 0.000 1.081 187 L CA 1.670 56.607 54.840 0.161 0.000 0.752 187 L CB -0.624 41.564 42.059 0.214 0.000 0.896 187 L HN 0.337 nan 8.230 nan 0.000 0.433 191 R N 1.233 121.732 120.500 -0.001 0.000 2.397 191 R HA 0.490 4.830 4.340 -0.000 0.000 0.241 191 R C 0.291 176.597 176.300 0.010 0.000 0.914 191 R CA -0.185 55.912 56.100 -0.006 0.000 1.071 191 R CB 0.788 31.084 30.300 -0.007 0.000 1.116 191 R HN 0.305 nan 8.270 nan 0.000 0.524 192 L N 1.825 123.069 121.223 0.035 0.000 2.423 192 L HA 0.222 4.562 4.340 -0.000 0.000 0.249 192 L C 1.231 178.116 176.870 0.025 0.000 1.276 192 L CA 0.005 54.892 54.840 0.079 0.000 1.199 192 L CB 0.182 42.342 42.059 0.168 0.000 1.407 192 L HN 0.046 nan 8.230 nan 0.000 0.410 193 R N 0.591 121.069 120.500 -0.036 0.000 2.189 193 R HA -0.114 4.226 4.340 -0.000 0.000 0.218 193 R C 2.118 178.330 176.300 -0.148 0.000 1.074 193 R CA 1.145 57.201 56.100 -0.073 0.000 0.991 193 R CB 0.112 30.372 30.300 -0.066 0.000 0.883 193 R HN 0.687 nan 8.270 nan 0.000 0.457 194 E N 0.044 120.079 120.200 -0.275 0.000 2.427 194 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 194 E C 0.922 177.131 176.600 -0.652 0.000 1.028 194 E CA 0.889 56.983 56.400 -0.510 0.000 0.864 194 E CB -0.234 29.029 29.700 -0.728 0.000 0.813 194 E HN 0.453 nan 8.360 nan 0.000 0.514 195 Y N -1.238 119.047 120.300 -0.024 0.000 2.652 195 Y HA 0.403 4.952 4.550 -0.000 0.000 0.275 195 Y C 0.914 176.770 175.900 -0.072 0.000 1.133 195 Y CA -0.498 57.585 58.100 -0.028 0.000 1.246 195 Y CB 0.683 39.136 38.460 -0.013 0.000 1.334 195 Y HN 0.036 nan 8.280 nan 0.000 0.493 196 L N -0.051 121.206 121.223 0.056 0.000 2.317 196 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 196 L C 0.780 177.590 176.870 -0.099 0.000 1.024 196 L CA -0.288 54.533 54.840 -0.032 0.000 0.810 196 L CB 1.794 43.853 42.059 -0.000 0.000 1.240 196 L HN -0.080 nan 8.230 nan 0.000 0.427 197 S N 2.448 118.045 115.700 -0.171 0.000 2.503 197 S HA 0.245 4.715 4.470 -0.000 0.000 0.217 197 S C -0.113 174.401 174.600 -0.143 0.000 0.999 197 S CA 0.072 58.161 58.200 -0.186 0.000 0.914 197 S CB 0.166 63.188 63.200 -0.296 0.000 0.782 197 S HN 0.412 nan 8.310 nan 0.000 0.520 198 L N 1.257 122.411 121.223 -0.116 0.000 2.591 198 L HA 0.569 4.909 4.340 -0.000 0.000 0.257 198 L C -1.506 175.336 176.870 -0.048 0.000 0.935 198 L CA -0.775 54.011 54.840 -0.089 0.000 0.873 198 L CB 1.758 43.750 42.059 -0.111 0.000 1.397 198 L HN -0.030 nan 8.230 nan 0.000 0.414 199 V N 1.832 121.732 119.914 -0.022 0.000 2.769 199 V HA 0.763 4.882 4.120 -0.000 0.000 0.312 199 V C -0.619 175.487 176.094 0.020 0.000 1.061 199 V CA -0.555 61.749 62.300 0.006 0.000 0.931 199 V CB 1.983 33.817 31.823 0.018 0.000 1.010 199 V HN 0.668 nan 8.190 nan 0.000 0.433 200 I N 4.784 125.376 120.570 0.037 0.000 2.493 200 I HA 0.439 4.609 4.170 -0.000 0.000 0.279 200 I C -2.648 173.512 176.117 0.072 0.000 1.045 200 I CA -1.791 59.538 61.300 0.048 0.000 1.106 200 I CB 2.539 40.560 38.000 0.035 0.000 1.216 200 I HN 0.494 nan 8.210 nan 0.000 0.459 201 P HA 0.347 nan 4.420 nan 0.000 0.280 201 P C -0.871 176.486 177.300 0.094 0.000 1.244 201 P CA -0.439 62.721 63.100 0.102 0.000 0.784 201 P CB 1.161 32.924 31.700 0.104 0.000 0.913 202 R N 1.271 121.836 120.500 0.108 0.000 2.795 202 R HA 0.785 5.125 4.340 -0.000 0.000 0.275 202 R C 0.484 176.827 176.300 0.072 0.000 0.981 202 R CA -0.223 55.926 56.100 0.080 0.000 0.917 202 R CB 1.878 32.223 30.300 0.075 0.000 1.202 202 R HN 0.888 nan 8.270 nan 0.000 0.469 203 G N 0.186 108.991 108.800 0.009 0.000 2.337 203 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.197 203 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.197 203 G C -0.174 174.649 174.900 -0.128 0.000 1.238 203 G CA -0.508 44.574 45.100 -0.030 0.000 1.119 203 G HN 0.769 nan 8.290 nan 0.000 0.514 204 G N -1.296 107.431 108.800 -0.122 0.000 2.647 204 G HA2 0.390 4.350 3.960 -0.000 0.000 0.234 204 G HA3 0.390 4.350 3.960 -0.000 0.000 0.234 204 G C 0.735 175.544 174.900 -0.151 0.000 1.252 204 G CA 0.792 45.779 45.100 -0.188 0.000 0.846 204 G HN 0.720 nan 8.290 nan 0.000 0.589 205 Y N 1.208 121.531 120.300 0.039 0.000 2.352 205 Y HA -0.034 4.516 4.550 -0.000 0.000 0.292 205 Y C 2.788 178.722 175.900 0.055 0.000 1.136 205 Y CA 0.918 59.046 58.100 0.046 0.000 1.227 205 Y CB -0.629 37.853 38.460 0.037 0.000 0.991 205 Y HN 0.548 nan 8.280 nan 0.000 0.545 206 G N 0.023 108.923 108.800 0.167 0.000 2.421 206 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.216 206 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.216 206 G C 1.674 176.654 174.900 0.134 0.000 1.171 206 G CA 1.038 46.212 45.100 0.123 0.000 0.775 206 G HN 0.361 nan 8.290 nan 0.000 0.543 207 L N 0.617 121.898 121.223 0.096 0.000 2.083 207 L HA 0.127 4.467 4.340 -0.000 0.000 0.209 207 L C 2.598 179.573 176.870 0.176 0.000 1.083 207 L CA 1.270 56.180 54.840 0.116 0.000 0.752 207 L CB -0.371 41.723 42.059 0.059 0.000 0.899 207 L HN 0.278 nan 8.230 nan 0.000 0.433 208 I N -0.964 119.701 120.570 0.158 0.000 2.233 208 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 208 I C 2.545 178.756 176.117 0.156 0.000 1.093 208 I CA 1.227 62.622 61.300 0.159 0.000 1.380 208 I CB -0.400 37.712 38.000 0.188 0.000 1.067 208 I HN 0.394 nan 8.210 nan 0.000 0.413 209 S N 1.210 117.014 115.700 0.174 0.000 2.359 209 S HA -0.278 4.192 4.470 -0.000 0.000 0.224 209 S C 2.046 176.729 174.600 0.138 0.000 1.035 209 S CA 1.240 59.523 58.200 0.138 0.000 1.018 209 S CB -1.196 62.089 63.200 0.142 0.000 0.876 209 S HN 0.428 nan 8.310 nan 0.000 0.448 210 F N 2.516 122.491 119.950 0.040 0.000 2.095 210 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 210 F C 2.366 178.180 175.800 0.023 0.000 1.104 210 F CA 1.365 59.381 58.000 0.026 0.000 1.232 210 F CB -0.650 38.363 39.000 0.022 0.000 0.987 210 F HN 0.063 nan 8.300 nan 0.000 0.475 211 V N 0.475 120.447 119.914 0.096 0.000 2.307 211 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 211 V C 2.511 178.564 176.094 -0.067 0.000 1.045 211 V CA 2.205 64.504 62.300 -0.002 0.000 1.024 211 V CB -0.641 31.240 31.823 0.097 0.000 0.651 211 V HN 0.252 nan 8.190 nan 0.000 0.449 212 R N 0.747 121.239 120.500 -0.012 0.000 2.092 212 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 212 R C 1.750 178.011 176.300 -0.066 0.000 1.119 212 R CA 1.742 57.829 56.100 -0.020 0.000 0.970 212 R CB -0.793 29.518 30.300 0.018 0.000 0.864 212 R HN 0.499 nan 8.270 nan 0.000 0.440 213 D N -0.363 119.980 120.400 -0.095 0.000 2.178 213 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 213 D C 0.771 176.969 176.300 -0.171 0.000 0.974 213 D CA 1.082 55.012 54.000 -0.116 0.000 0.841 213 D CB -0.049 40.685 40.800 -0.109 0.000 0.953 213 D HN 0.315 nan 8.370 nan 0.000 0.478 214 N N -0.241 118.298 118.700 -0.269 0.000 2.197 214 N HA 0.157 4.897 4.740 -0.000 0.000 0.201 214 N C 0.074 175.468 175.510 -0.193 0.000 1.148 214 N CA -0.061 52.816 53.050 -0.289 0.000 0.883 214 N CB 1.107 39.260 38.487 -0.556 0.000 1.012 214 N HN -0.026 nan 8.380 nan 0.000 0.507 215 A N 1.100 123.832 122.820 -0.146 0.000 2.477 215 A HA 0.243 4.563 4.320 -0.000 0.000 0.246 215 A C 1.408 178.951 177.584 -0.069 0.000 1.078 215 A CA 0.142 52.126 52.037 -0.088 0.000 0.770 215 A CB 0.227 19.192 19.000 -0.059 0.000 1.011 215 A HN 0.280 nan 8.150 nan 0.000 0.494 216 T N -0.100 114.422 114.554 -0.053 0.000 3.037 216 T HA 0.157 4.506 4.350 -0.000 0.000 0.251 216 T C 0.513 175.192 174.700 -0.034 0.000 1.079 216 T CA 0.480 62.554 62.100 -0.043 0.000 1.067 216 T CB -0.360 68.485 68.868 -0.039 0.000 0.948 216 T HN 0.264 nan 8.240 nan 0.000 0.496 217 V N 4.022 123.918 119.914 -0.031 0.000 2.686 217 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 217 V C -2.104 173.975 176.094 -0.024 0.000 1.055 217 V CA -1.914 60.368 62.300 -0.029 0.000 1.050 217 V CB 0.760 32.568 31.823 -0.025 0.000 0.984 217 V HN 0.281 nan 8.190 nan 0.000 0.482 218 P HA 0.073 nan 4.420 nan 0.000 0.265 218 P C -0.770 176.527 177.300 -0.005 0.000 1.187 218 P CA 0.295 63.395 63.100 0.000 0.000 0.766 218 P CB 0.341 32.032 31.700 -0.014 0.000 0.820 219 V N 4.356 124.284 119.914 0.023 0.000 2.680 219 V HA 0.354 4.473 4.120 -0.000 0.000 0.309 219 V C 0.127 176.252 176.094 0.053 0.000 1.052 219 V CA -0.691 61.625 62.300 0.027 0.000 0.908 219 V CB 1.904 33.742 31.823 0.025 0.000 1.001 219 V HN 0.327 nan 8.190 nan 0.000 0.431 220 L N 3.462 124.714 121.223 0.048 0.000 2.276 220 L HA 0.493 4.833 4.340 -0.000 0.000 0.286 220 L C 0.225 177.139 176.870 0.073 0.000 1.024 220 L CA -0.146 54.738 54.840 0.073 0.000 0.826 220 L CB 1.321 43.422 42.059 0.070 0.000 1.211 220 L HN 0.721 nan 8.230 nan 0.000 0.422 221 E N 2.735 122.984 120.200 0.082 0.000 2.089 221 E HA 0.121 4.471 4.350 -0.000 0.000 0.284 221 E C -0.235 176.422 176.600 0.096 0.000 1.023 221 E CA -0.535 55.918 56.400 0.087 0.000 0.819 221 E CB 0.863 30.611 29.700 0.080 0.000 1.076 221 E HN 0.526 nan 8.360 nan 0.000 0.396 222 T N 2.163 116.782 114.554 0.109 0.000 2.992 222 T HA 0.442 4.791 4.350 -0.000 0.000 0.299 222 T C 0.565 175.387 174.700 0.203 0.000 1.027 222 T CA -0.658 61.519 62.100 0.128 0.000 1.001 222 T CB 0.830 69.762 68.868 0.107 0.000 1.005 222 T HN 0.386 nan 8.240 nan 0.000 0.599 223 G N 2.025 110.942 108.800 0.197 0.000 2.543 223 G HA2 0.507 4.467 3.960 -0.000 0.000 0.290 223 G HA3 0.507 4.467 3.960 -0.000 0.000 0.290 223 G C -0.101 174.951 174.900 0.253 0.000 1.310 223 G CA -0.937 44.283 45.100 0.201 0.000 1.025 223 G HN 0.717 nan 8.290 nan 0.000 0.502 224 V N -0.251 119.654 119.914 -0.016 0.000 2.788 224 V HA 0.368 4.487 4.120 -0.000 0.000 0.307 224 V C 1.232 177.333 176.094 0.012 0.000 1.069 224 V CA 0.965 63.131 62.300 -0.223 0.000 1.173 224 V CB 1.138 32.692 31.823 -0.449 0.000 0.925 224 V HN 0.923 nan 8.190 nan 0.000 0.492 225 G N 2.639 111.411 108.800 -0.047 0.000 4.487 225 G HA2 0.222 4.181 3.960 -0.000 0.000 0.339 225 G HA3 0.222 4.181 3.960 -0.000 0.000 0.339 225 G C -0.098 174.748 174.900 -0.091 0.000 1.482 225 G CA -0.499 44.520 45.100 -0.134 0.000 1.069 225 G HN 0.644 nan 8.290 nan 0.000 0.515 226 N N 1.177 119.862 118.700 -0.024 0.000 2.549 226 N HA 0.147 4.887 4.740 -0.000 0.000 0.267 226 N C -0.117 175.415 175.510 0.036 0.000 1.182 226 N CA -0.175 52.855 53.050 -0.033 0.000 1.019 226 N CB -0.167 38.325 38.487 0.008 0.000 1.380 226 N HN 0.182 nan 8.380 nan 0.000 0.505 227 C N 2.584 121.879 119.300 -0.009 0.000 2.350 227 C HA 0.416 4.876 4.460 -0.000 0.000 0.348 227 C C -0.050 174.968 174.990 0.046 0.000 1.260 227 C CA -0.693 58.393 59.018 0.114 0.000 1.966 227 C CB -0.572 27.217 27.740 0.083 0.000 2.380 227 C HN 0.660 nan 8.230 nan 0.000 0.535 228 H N 1.350 120.546 119.070 0.210 0.000 2.499 228 H HA 0.687 5.242 4.556 -0.000 0.000 0.340 228 H C -0.401 175.076 175.328 0.249 0.000 1.148 228 H CA -0.517 55.677 56.048 0.242 0.000 1.215 228 H CB 0.775 30.716 29.762 0.299 0.000 1.529 228 H HN 0.501 nan 8.280 nan 0.000 0.510 229 I N 2.703 123.467 120.570 0.324 0.000 2.406 229 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 229 I C -1.014 175.281 176.117 0.297 0.000 0.999 229 I CA -0.786 60.665 61.300 0.252 0.000 1.124 229 I CB 1.236 39.318 38.000 0.137 0.000 1.289 229 I HN 0.383 nan 8.210 nan 0.000 0.441 230 F N 7.982 127.974 119.950 0.070 0.000 2.411 230 F HA 0.527 5.054 4.527 -0.000 0.000 0.352 230 F C -0.637 175.127 175.800 -0.061 0.000 1.123 230 F CA -0.972 57.040 58.000 0.020 0.000 1.044 230 F CB 1.135 40.136 39.000 0.001 0.000 1.135 230 F HN 0.047 nan 8.300 nan 0.000 0.461 231 V N 6.371 125.999 119.914 -0.477 0.000 2.334 231 V HA 0.166 4.286 4.120 -0.000 0.000 0.267 231 V C 0.024 175.515 176.094 -1.004 0.000 1.040 231 V CA -0.587 61.334 62.300 -0.632 0.000 0.866 231 V CB 0.579 32.162 31.823 -0.400 0.000 1.019 231 V HN 0.672 nan 8.190 nan 0.000 0.468 232 D N 2.793 122.518 120.400 -1.125 0.000 2.354 232 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 232 D C 1.291 177.314 176.300 -0.462 0.000 1.138 232 D CA -0.252 53.249 54.000 -0.831 0.000 0.958 232 D CB 1.161 41.633 40.800 -0.547 0.000 1.144 232 D HN 0.653 nan 8.370 nan 0.000 0.458 233 E N -0.079 119.831 120.200 -0.483 0.000 2.070 233 E HA -0.229 4.120 4.350 -0.000 0.000 0.197 233 E C 1.164 177.567 176.600 -0.328 0.000 1.004 233 E CA 1.599 57.665 56.400 -0.557 0.000 0.805 233 E CB 0.013 29.196 29.700 -0.862 0.000 0.744 233 E HN 0.422 nan 8.360 nan 0.000 0.451 234 S N -0.385 115.158 115.700 -0.262 0.000 2.605 234 S HA 0.357 4.827 4.470 -0.000 0.000 0.217 234 S C 0.540 175.033 174.600 -0.178 0.000 0.958 234 S CA -0.009 58.084 58.200 -0.178 0.000 0.919 234 S CB 0.409 63.538 63.200 -0.119 0.000 0.780 234 S HN 0.400 nan 8.310 nan 0.000 0.507 235 A N 2.064 124.738 122.820 -0.244 0.000 2.531 235 A HA 0.181 4.501 4.320 -0.000 0.000 0.236 235 A C 0.390 177.856 177.584 -0.197 0.000 1.062 235 A CA -0.092 51.801 52.037 -0.239 0.000 0.760 235 A CB -0.118 18.677 19.000 -0.342 0.000 0.995 235 A HN 0.400 nan 8.150 nan 0.000 0.501 236 D N 2.419 122.734 120.400 -0.141 0.000 2.346 236 D HA 0.118 4.757 4.640 -0.000 0.000 0.267 236 D C 1.041 177.273 176.300 -0.114 0.000 1.320 236 D CA 0.143 54.084 54.000 -0.098 0.000 0.951 236 D CB 0.128 40.893 40.800 -0.058 0.000 1.079 236 D HN 0.472 nan 8.370 nan 0.000 0.509 237 L N 2.898 124.050 121.223 -0.118 0.000 2.201 237 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 237 L C 2.576 179.486 176.870 0.067 0.000 1.105 237 L CA 0.481 55.257 54.840 -0.107 0.000 0.775 237 L CB -0.298 41.734 42.059 -0.045 0.000 0.913 237 L HN 0.178 nan 8.230 nan 0.000 0.440 238 K N 0.272 120.699 120.400 0.045 0.000 2.057 238 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 238 K C 2.053 178.682 176.600 0.049 0.000 1.050 238 K CA 1.211 57.534 56.287 0.060 0.000 0.935 238 K CB -0.209 32.312 32.500 0.036 0.000 0.715 238 K HN 0.419 nan 8.250 nan 0.000 0.439 239 K N -0.126 120.286 120.400 0.020 0.000 2.296 239 K HA 0.155 4.474 4.320 -0.000 0.000 0.200 239 K C 2.289 178.899 176.600 0.018 0.000 1.048 239 K CA 0.779 57.077 56.287 0.017 0.000 0.966 239 K CB -0.100 32.403 32.500 0.006 0.000 0.754 239 K HN 0.256 nan 8.250 nan 0.000 0.466 240 A N 1.161 123.983 122.820 0.005 0.000 1.933 240 A HA -0.110 4.209 4.320 -0.000 0.000 0.218 240 A C 2.317 179.956 177.584 0.093 0.000 1.175 240 A CA 1.214 53.251 52.037 0.000 0.000 0.628 240 A CB -0.549 18.379 19.000 -0.121 0.000 0.814 240 A HN 0.041 nan 8.150 nan 0.000 0.444 241 V N 0.686 120.689 119.914 0.148 0.000 2.237 241 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 241 V C -0.149 175.978 176.094 0.055 0.000 1.046 241 V CA 2.534 64.921 62.300 0.146 0.000 1.007 241 V CB -1.503 30.398 31.823 0.130 0.000 0.638 241 V HN 0.388 nan 8.190 nan 0.000 0.445 242 P HA -0.098 nan 4.420 nan 0.000 0.216 242 P C 1.899 179.185 177.300 -0.024 0.000 1.150 242 P CA 1.214 64.313 63.100 -0.003 0.000 0.837 242 P CB -0.121 31.586 31.700 0.012 0.000 0.786 243 V N -0.306 119.605 119.914 -0.005 0.000 2.295 243 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 243 V C 2.406 178.474 176.094 -0.043 0.000 1.049 243 V CA 1.674 63.960 62.300 -0.024 0.000 1.024 243 V CB -1.067 30.754 31.823 -0.002 0.000 0.648 243 V HN 0.041 nan 8.190 nan 0.000 0.447 244 I N -0.535 120.030 120.570 -0.008 0.000 2.202 244 I HA -0.206 3.963 4.170 -0.000 0.000 0.242 244 I C 2.332 178.415 176.117 -0.058 0.000 1.091 244 I CA 1.247 62.545 61.300 -0.004 0.000 1.368 244 I CB -0.343 37.695 38.000 0.063 0.000 1.058 244 I HN 0.202 nan 8.210 nan 0.000 0.410 245 I N 0.771 121.287 120.570 -0.091 0.000 2.208 245 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 245 I C 2.390 178.384 176.117 -0.205 0.000 1.097 245 I CA 1.620 62.799 61.300 -0.202 0.000 1.363 245 I CB -1.618 36.214 38.000 -0.280 0.000 1.051 245 I HN 0.473 nan 8.210 nan 0.000 0.413 246 N N 1.327 119.932 118.700 -0.157 0.000 2.069 246 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 246 N C 1.873 177.286 175.510 -0.162 0.000 1.031 246 N CA 1.837 54.792 53.050 -0.158 0.000 0.852 246 N CB 0.219 38.613 38.487 -0.154 0.000 1.018 246 N HN 0.316 nan 8.380 nan 0.000 0.423 247 A N 0.615 123.347 122.820 -0.146 0.000 1.969 247 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 247 A C 2.181 179.706 177.584 -0.100 0.000 1.169 247 A CA 1.457 53.412 52.037 -0.136 0.000 0.635 247 A CB -0.332 18.604 19.000 -0.108 0.000 0.810 247 A HN 0.330 nan 8.150 nan 0.000 0.445 248 K N -0.549 119.797 120.400 -0.090 0.000 2.128 248 K HA -0.031 4.289 4.320 -0.000 0.000 0.202 248 K C 1.838 178.393 176.600 -0.075 0.000 1.050 248 K CA 1.922 58.169 56.287 -0.067 0.000 0.966 248 K CB -0.223 32.244 32.500 -0.055 0.000 0.759 248 K HN 0.480 nan 8.250 nan 0.000 0.454 249 T N -2.388 112.099 114.554 -0.112 0.000 3.023 249 T HA 0.078 4.428 4.350 -0.000 0.000 0.253 249 T C 1.673 176.325 174.700 -0.079 0.000 1.038 249 T CA -0.072 61.971 62.100 -0.096 0.000 0.962 249 T CB 0.143 68.917 68.868 -0.157 0.000 1.018 249 T HN 0.240 nan 8.240 nan 0.000 0.521 250 Q N 1.144 120.887 119.800 -0.095 0.000 2.079 250 Q HA 0.032 4.372 4.340 -0.000 0.000 0.200 250 Q C 0.383 176.350 176.000 -0.055 0.000 0.974 250 Q CA 0.828 56.584 55.803 -0.078 0.000 0.840 250 Q CB 0.291 28.967 28.738 -0.103 0.000 0.898 250 Q HN 0.171 nan 8.270 nan 0.000 0.430 251 R N -0.367 120.098 120.500 -0.058 0.000 2.754 251 R HA 0.193 4.533 4.340 -0.000 0.000 0.255 251 R C -2.370 173.908 176.300 -0.037 0.000 1.723 251 R CA -1.302 54.773 56.100 -0.042 0.000 1.596 251 R CB 1.217 31.490 30.300 -0.045 0.000 1.424 251 R HN 0.210 nan 8.270 nan 0.000 0.662 252 P HA -0.084 nan 4.420 nan 0.000 0.219 252 P C 1.264 178.562 177.300 -0.003 0.000 1.146 252 P CA 1.059 64.150 63.100 -0.015 0.000 0.808 252 P CB 0.302 31.996 31.700 -0.010 0.000 0.779 253 G N -1.474 107.323 108.800 -0.006 0.000 2.744 253 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.211 253 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.211 253 G C 0.546 175.442 174.900 -0.007 0.000 1.143 253 G CA 0.411 45.510 45.100 -0.002 0.000 0.788 253 G HN 0.327 nan 8.290 nan 0.000 0.534 254 T N -0.986 113.558 114.554 -0.016 0.000 2.925 254 T HA 0.277 4.627 4.350 -0.000 0.000 0.285 254 T C 1.550 176.230 174.700 -0.033 0.000 1.021 254 T CA -0.136 61.953 62.100 -0.019 0.000 1.042 254 T CB 1.117 69.971 68.868 -0.023 0.000 1.037 254 T HN 0.236 nan 8.240 nan 0.000 0.481 255 C N 2.911 122.189 119.300 -0.036 0.000 2.576 255 C HA 0.204 4.664 4.460 -0.000 0.000 0.267 255 C C 1.756 176.549 174.990 -0.329 0.000 1.364 255 C CA 0.106 59.065 59.018 -0.097 0.000 1.723 255 C CB -1.992 25.757 27.740 0.014 0.000 1.778 255 C HN 0.887 nan 8.230 nan 0.000 0.572 256 N N 2.007 120.554 118.700 -0.254 0.000 2.398 256 N HA 0.176 4.916 4.740 -0.000 0.000 0.188 256 N C 0.444 175.884 175.510 -0.117 0.000 1.122 256 N CA 0.557 53.476 53.050 -0.219 0.000 0.866 256 N CB -0.535 37.965 38.487 0.022 0.000 0.970 256 N HN 0.636 nan 8.380 nan 0.000 0.462 257 A N 0.407 123.166 122.820 -0.102 0.000 2.540 257 A HA 0.514 4.833 4.320 -0.000 0.000 0.239 257 A C 0.682 178.234 177.584 -0.053 0.000 1.061 257 A CA -0.109 51.886 52.037 -0.071 0.000 0.758 257 A CB -0.344 18.629 19.000 -0.045 0.000 0.991 257 A HN 0.545 nan 8.150 nan 0.000 0.502 258 A N 2.237 125.035 122.820 -0.038 0.000 2.477 258 A HA 0.429 4.748 4.320 -0.000 0.000 0.246 258 A C 0.816 178.405 177.584 0.008 0.000 1.078 258 A CA -0.046 51.986 52.037 -0.008 0.000 0.770 258 A CB 0.107 19.109 19.000 0.004 0.000 1.011 258 A HN 0.841 nan 8.150 nan 0.000 0.494 259 E N 0.793 120.991 120.200 -0.003 0.000 2.434 259 E HA 0.104 4.454 4.350 -0.000 0.000 0.207 259 E C -0.331 176.310 176.600 0.068 0.000 0.929 259 E CA 0.568 56.994 56.400 0.044 0.000 1.001 259 E CB 0.509 30.165 29.700 -0.074 0.000 1.016 259 E HN 0.566 nan 8.360 nan 0.000 0.502 260 K N 0.849 121.245 120.400 -0.007 0.000 2.468 260 K HA 0.438 4.758 4.320 -0.000 0.000 0.252 260 K C -1.038 175.639 176.600 0.128 0.000 0.932 260 K CA -0.889 55.426 56.287 0.046 0.000 0.794 260 K CB 2.614 35.027 32.500 -0.144 0.000 1.241 260 K HN -0.081 nan 8.250 nan 0.000 0.428 261 L N 3.500 124.833 121.223 0.184 0.000 2.349 261 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 261 L C -1.349 175.650 176.870 0.215 0.000 0.996 261 L CA -0.502 54.456 54.840 0.198 0.000 0.825 261 L CB 1.098 43.256 42.059 0.166 0.000 1.243 261 L HN 0.514 nan 8.230 nan 0.000 0.412 262 L N 5.754 127.130 121.223 0.256 0.000 2.317 262 L HA 0.741 5.081 4.340 -0.000 0.000 0.281 262 L C -0.891 176.185 176.870 0.344 0.000 1.024 262 L CA -0.964 54.024 54.840 0.248 0.000 0.810 262 L CB 1.868 44.077 42.059 0.250 0.000 1.240 262 L HN 0.286 nan 8.230 nan 0.000 0.427 263 V N 1.622 121.701 119.914 0.275 0.000 2.577 263 V HA 0.248 4.368 4.120 -0.000 0.000 0.303 263 V C -0.132 176.124 176.094 0.271 0.000 1.042 263 V CA -0.735 61.712 62.300 0.246 0.000 0.872 263 V CB 1.760 33.726 31.823 0.237 0.000 0.998 263 V HN 0.652 nan 8.190 nan 0.000 0.423 264 H N 4.139 123.314 119.070 0.176 0.000 2.964 264 H HA 0.023 4.579 4.556 -0.000 0.000 0.328 264 H C 1.407 176.796 175.328 0.102 0.000 1.030 264 H CA 1.004 57.159 56.048 0.178 0.000 1.445 264 H CB 1.151 30.962 29.762 0.082 0.000 1.449 264 H HN 0.963 nan 8.280 nan 0.000 0.581 265 E N 3.979 124.227 120.200 0.080 0.000 2.171 265 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 265 E C 1.042 177.764 176.600 0.203 0.000 0.997 265 E CA 1.281 57.746 56.400 0.108 0.000 0.810 265 E CB 0.001 29.707 29.700 0.010 0.000 0.738 265 E HN 0.555 nan 8.360 nan 0.000 0.467 266 K N 0.640 121.282 120.400 0.404 0.000 2.365 266 K HA -0.001 4.319 4.320 -0.000 0.000 0.199 266 K C 1.995 178.665 176.600 0.116 0.000 1.045 266 K CA 1.307 57.728 56.287 0.222 0.000 0.962 266 K CB -0.090 32.518 32.500 0.179 0.000 0.759 266 K HN 0.478 nan 8.250 nan 0.000 0.469 267 I N -4.722 115.923 120.570 0.124 0.000 4.082 267 I HA 0.290 4.460 4.170 -0.000 0.000 0.337 267 I C 1.787 177.996 176.117 0.153 0.000 1.352 267 I CA -0.124 61.226 61.300 0.084 0.000 1.097 267 I CB 0.469 38.464 38.000 -0.008 0.000 1.048 267 I HN -0.209 nan 8.210 nan 0.000 0.393 268 A N 2.550 125.465 122.820 0.159 0.000 1.908 268 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 268 A C 2.363 180.022 177.584 0.125 0.000 1.181 268 A CA 1.810 53.944 52.037 0.161 0.000 0.627 268 A CB -0.467 18.610 19.000 0.128 0.000 0.818 268 A HN 0.452 nan 8.150 nan 0.000 0.445 269 K N -0.771 119.686 120.400 0.095 0.000 2.097 269 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 269 K C 2.127 178.767 176.600 0.066 0.000 1.049 269 K CA 1.523 57.850 56.287 0.067 0.000 0.933 269 K CB -0.102 32.430 32.500 0.054 0.000 0.717 269 K HN 0.730 nan 8.250 nan 0.000 0.442 270 E N -0.178 120.077 120.200 0.091 0.000 2.086 270 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 270 E C 1.660 178.335 176.600 0.126 0.000 0.975 270 E CA 0.614 57.070 56.400 0.094 0.000 0.813 270 E CB 0.078 29.837 29.700 0.099 0.000 0.768 270 E HN 0.186 nan 8.360 nan 0.000 0.457 271 F N 0.849 120.805 119.950 0.010 0.000 2.374 271 F HA 0.147 4.673 4.527 -0.000 0.000 0.291 271 F C 1.816 177.623 175.800 0.012 0.000 1.084 271 F CA 0.429 58.432 58.000 0.006 0.000 1.413 271 F CB -0.060 38.940 39.000 -0.000 0.000 1.099 271 F HN -0.047 nan 8.300 nan 0.000 0.534 272 L N 0.740 121.931 121.223 -0.053 0.000 2.042 272 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 272 L C -0.526 176.243 176.870 -0.168 0.000 1.076 272 L CA 1.429 56.193 54.840 -0.126 0.000 0.749 272 L CB -1.985 40.073 42.059 -0.002 0.000 0.893 272 L HN 0.093 nan 8.230 nan 0.000 0.432 273 P HA -0.128 nan 4.420 nan 0.000 0.216 273 P C 1.877 179.097 177.300 -0.135 0.000 1.150 273 P CA 1.102 64.147 63.100 -0.091 0.000 0.837 273 P CB 0.081 31.753 31.700 -0.047 0.000 0.786 274 V N -0.515 119.279 119.914 -0.200 0.000 2.283 274 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 274 V C 2.291 178.211 176.094 -0.289 0.000 1.039 274 V CA 1.490 63.660 62.300 -0.216 0.000 1.016 274 V CB -1.032 30.675 31.823 -0.194 0.000 0.650 274 V HN 0.019 nan 8.190 nan 0.000 0.449 275 I N -0.256 119.993 120.570 -0.534 0.000 2.315 275 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 275 I C 2.172 178.163 176.117 -0.210 0.000 1.117 275 I CA 1.370 62.407 61.300 -0.440 0.000 1.404 275 I CB -0.138 37.443 38.000 -0.698 0.000 1.071 275 I HN 0.052 nan 8.210 nan 0.000 0.419 276 V N 0.753 120.557 119.914 -0.184 0.000 2.343 276 V HA -0.295 3.824 4.120 -0.000 0.000 0.247 276 V C 2.477 178.528 176.094 -0.072 0.000 1.051 276 V CA 2.148 64.388 62.300 -0.099 0.000 1.036 276 V CB -0.868 30.907 31.823 -0.079 0.000 0.654 276 V HN 0.566 nan 8.190 nan 0.000 0.451 277 E N 0.326 120.479 120.200 -0.080 0.000 2.058 277 E HA -0.333 4.017 4.350 -0.000 0.000 0.194 277 E C 2.171 178.751 176.600 -0.032 0.000 0.997 277 E CA 1.968 58.336 56.400 -0.055 0.000 0.801 277 E CB -0.099 29.567 29.700 -0.057 0.000 0.746 277 E HN 0.630 nan 8.360 nan 0.000 0.450 278 E N 0.391 120.575 120.200 -0.028 0.000 2.106 278 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 278 E C 2.158 178.832 176.600 0.123 0.000 0.984 278 E CA 0.888 57.313 56.400 0.042 0.000 0.806 278 E CB -0.208 29.511 29.700 0.031 0.000 0.750 278 E HN 0.350 nan 8.360 nan 0.000 0.458 279 L N -0.004 121.245 121.223 0.044 0.000 2.046 279 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 279 L C 2.618 179.523 176.870 0.058 0.000 1.077 279 L CA 1.549 56.418 54.840 0.048 0.000 0.747 279 L CB -0.291 41.761 42.059 -0.012 0.000 0.896 279 L HN 0.082 nan 8.230 nan 0.000 0.432 280 R N -0.159 120.348 120.500 0.011 0.000 2.120 280 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 280 R C 2.224 178.511 176.300 -0.023 0.000 1.123 280 R CA 0.999 57.092 56.100 -0.012 0.000 0.975 280 R CB -0.155 30.127 30.300 -0.030 0.000 0.866 280 R HN 0.316 nan 8.270 nan 0.000 0.446 281 K N -0.442 119.937 120.400 -0.034 0.000 2.209 281 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 281 K C 0.826 177.281 176.600 -0.242 0.000 1.048 281 K CA 1.154 57.357 56.287 -0.140 0.000 0.940 281 K CB -0.008 32.378 32.500 -0.191 0.000 0.729 281 K HN 0.370 nan 8.250 nan 0.000 0.451 282 H N -1.097 117.952 119.070 -0.035 0.000 2.519 282 H HA 0.156 4.712 4.556 -0.000 0.000 0.289 282 H C 0.716 176.022 175.328 -0.036 0.000 1.040 282 H CA 0.423 56.451 56.048 -0.033 0.000 1.165 282 H CB 0.745 30.488 29.762 -0.032 0.000 1.462 282 H HN 0.363 nan 8.280 nan 0.000 0.555 283 G N 0.522 109.339 108.800 0.028 0.000 2.147 283 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.244 283 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.244 283 G C -0.076 174.819 174.900 -0.008 0.000 1.005 283 G CA 0.310 45.410 45.100 -0.000 0.000 0.713 283 G HN 0.258 nan 8.290 nan 0.000 0.515 284 V N 0.694 120.607 119.914 -0.001 0.000 2.461 284 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 284 V C 0.821 176.879 176.094 -0.061 0.000 1.047 284 V CA -0.372 61.908 62.300 -0.033 0.000 0.955 284 V CB 1.750 33.558 31.823 -0.024 0.000 0.988 284 V HN 0.456 nan 8.190 nan 0.000 0.471 285 E N 4.373 124.514 120.200 -0.098 0.000 2.217 285 E HA 0.298 4.647 4.350 -0.000 0.000 0.279 285 E C -1.121 175.391 176.600 -0.146 0.000 1.068 285 E CA -0.361 55.966 56.400 -0.122 0.000 0.882 285 E CB 1.112 30.721 29.700 -0.152 0.000 1.039 285 E HN 0.504 nan 8.360 nan 0.000 0.418 286 V N 6.395 126.244 119.914 -0.107 0.000 2.370 286 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 286 V C 0.204 176.243 176.094 -0.091 0.000 1.029 286 V CA -0.535 61.712 62.300 -0.090 0.000 0.870 286 V CB 1.263 33.053 31.823 -0.055 0.000 0.984 286 V HN 0.682 nan 8.190 nan 0.000 0.451 287 R N 2.773 123.211 120.500 -0.103 0.000 2.787 287 R HA 0.867 5.207 4.340 -0.000 0.000 0.271 287 R C -0.036 176.247 176.300 -0.028 0.000 0.993 287 R CA -0.700 55.343 56.100 -0.094 0.000 0.993 287 R CB 2.233 32.435 30.300 -0.164 0.000 1.155 287 R HN 0.861 nan 8.270 nan 0.000 0.486 288 G N 0.129 108.935 108.800 0.009 0.000 2.720 288 G HA2 0.395 4.354 3.960 -0.000 0.000 0.295 288 G HA3 0.395 4.354 3.960 -0.000 0.000 0.295 288 G C -0.302 174.698 174.900 0.168 0.000 1.437 288 G CA -0.824 44.341 45.100 0.108 0.000 0.886 288 G HN 0.870 nan 8.290 nan 0.000 0.509 289 C N -0.411 119.059 119.300 0.283 0.000 2.705 289 C HA 0.729 5.188 4.460 -0.000 0.000 0.348 289 C C 2.010 177.088 174.990 0.146 0.000 1.386 289 C CA 0.863 60.045 59.018 0.274 0.000 2.361 289 C CB 0.527 28.406 27.740 0.231 0.000 2.486 289 C HN 1.206 nan 8.230 nan 0.000 0.728 290 E N 0.273 120.545 120.200 0.120 0.000 2.110 290 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 290 E C 1.914 178.551 176.600 0.062 0.000 0.988 290 E CA 1.898 58.345 56.400 0.078 0.000 0.804 290 E CB -0.601 29.140 29.700 0.067 0.000 0.745 290 E HN 0.872 nan 8.360 nan 0.000 0.458 291 K N -0.366 120.070 120.400 0.059 0.000 2.103 291 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 291 K C 2.581 179.213 176.600 0.054 0.000 1.052 291 K CA 1.433 57.749 56.287 0.048 0.000 0.945 291 K CB -0.073 32.449 32.500 0.037 0.000 0.722 291 K HN 0.323 nan 8.250 nan 0.000 0.443 292 T N 0.908 115.503 114.554 0.069 0.000 2.746 292 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 292 T C 1.812 176.542 174.700 0.048 0.000 1.039 292 T CA 1.112 63.252 62.100 0.067 0.000 1.142 292 T CB -0.055 68.868 68.868 0.092 0.000 0.866 292 T HN 0.202 nan 8.240 nan 0.000 0.444 293 R N 0.634 121.163 120.500 0.049 0.000 2.115 293 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 293 R C 2.460 178.777 176.300 0.028 0.000 1.100 293 R CA 1.018 57.139 56.100 0.034 0.000 0.980 293 R CB -0.127 30.195 30.300 0.037 0.000 0.875 293 R HN 0.552 nan 8.270 nan 0.000 0.445 294 E N 0.303 120.523 120.200 0.032 0.000 2.118 294 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 294 E C 1.868 178.482 176.600 0.024 0.000 0.992 294 E CA 1.301 57.717 56.400 0.027 0.000 0.804 294 E CB -0.049 29.668 29.700 0.029 0.000 0.741 294 E HN 0.338 nan 8.360 nan 0.000 0.458 295 I N -0.039 120.547 120.570 0.027 0.000 2.400 295 I HA -0.084 4.085 4.170 -0.000 0.000 0.248 295 I C 0.404 176.528 176.117 0.013 0.000 1.109 295 I CA 0.461 61.775 61.300 0.023 0.000 1.425 295 I CB 0.659 38.678 38.000 0.032 0.000 1.094 295 I HN -0.154 nan 8.210 nan 0.000 0.425 296 V N 3.164 123.084 119.914 0.011 0.000 2.289 296 V HA 0.205 4.324 4.120 -0.000 0.000 0.272 296 V C -1.668 174.427 176.094 0.001 0.000 1.026 296 V CA -0.952 61.348 62.300 -0.000 0.000 0.807 296 V CB 0.905 32.722 31.823 -0.010 0.000 1.044 296 V HN 0.081 nan 8.190 nan 0.000 0.443 297 P HA -0.084 nan 4.420 nan 0.000 0.230 297 P C 0.654 177.953 177.300 -0.002 0.000 1.158 297 P CA 0.967 64.069 63.100 0.003 0.000 0.769 297 P CB 0.351 32.052 31.700 0.003 0.000 0.807 298 D N 0.079 120.474 120.400 -0.008 0.000 2.339 298 D HA -0.020 4.620 4.640 -0.000 0.000 0.217 298 D C 0.879 177.169 176.300 -0.017 0.000 1.050 298 D CA -0.150 53.843 54.000 -0.013 0.000 0.856 298 D CB -1.001 39.789 40.800 -0.017 0.000 0.922 298 D HN 0.065 nan 8.370 nan 0.000 0.518 299 V N -0.841 119.064 119.914 -0.013 0.000 2.872 299 V HA 0.148 4.267 4.120 -0.000 0.000 0.307 299 V C 0.704 176.785 176.094 -0.022 0.000 1.072 299 V CA -1.085 61.203 62.300 -0.019 0.000 1.148 299 V CB 0.984 32.801 31.823 -0.010 0.000 0.954 299 V HN -0.089 nan 8.190 nan 0.000 0.490 300 V N 6.443 126.333 119.914 -0.039 0.000 2.557 300 V HA 0.125 4.245 4.120 -0.000 0.000 0.301 300 V C -1.828 174.244 176.094 -0.036 0.000 1.026 300 V CA -0.541 61.731 62.300 -0.045 0.000 1.137 300 V CB 0.224 32.004 31.823 -0.073 0.000 0.917 300 V HN 0.955 nan 8.190 nan 0.000 0.484 301 P HA 0.190 nan 4.420 nan 0.000 0.266 301 P C -0.216 177.062 177.300 -0.036 0.000 1.215 301 P CA 0.119 63.215 63.100 -0.006 0.000 0.763 301 P CB 0.432 32.136 31.700 0.005 0.000 0.806 302 A N 3.812 126.610 122.820 -0.038 0.000 2.462 302 A HA 0.459 4.779 4.320 -0.000 0.000 0.243 302 A C 0.826 178.358 177.584 -0.087 0.000 1.076 302 A CA 0.285 52.229 52.037 -0.154 0.000 0.773 302 A CB -0.341 18.509 19.000 -0.250 0.000 1.010 302 A HN 0.581 nan 8.150 nan 0.000 0.493 303 T N -1.117 113.331 114.554 -0.176 0.000 2.938 303 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 303 T C 0.756 175.384 174.700 -0.120 0.000 1.028 303 T CA -0.481 61.576 62.100 -0.072 0.000 1.005 303 T CB 1.163 69.997 68.868 -0.056 0.000 1.157 303 T HN 0.518 nan 8.240 nan 0.000 0.550 304 E N 0.450 120.680 120.200 0.051 0.000 2.118 304 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 304 E C 1.515 178.140 176.600 0.042 0.000 0.992 304 E CA 1.285 57.783 56.400 0.164 0.000 0.804 304 E CB -0.364 29.449 29.700 0.189 0.000 0.741 304 E HN 0.637 nan 8.360 nan 0.000 0.458 305 D N 0.804 121.184 120.400 -0.033 0.000 2.263 305 D HA -0.135 4.504 4.640 -0.000 0.000 0.208 305 D C 1.374 177.567 176.300 -0.177 0.000 0.971 305 D CA 0.601 54.565 54.000 -0.061 0.000 0.867 305 D CB -0.175 40.600 40.800 -0.041 0.000 0.929 305 D HN 0.223 nan 8.370 nan 0.000 0.492 306 D N -0.312 119.869 120.400 -0.365 0.000 2.117 306 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 306 D C 2.050 178.021 176.300 -0.549 0.000 0.987 306 D CA 0.696 54.399 54.000 -0.495 0.000 0.829 306 D CB -0.290 40.081 40.800 -0.715 0.000 0.961 306 D HN 0.433 nan 8.370 nan 0.000 0.460 307 W N 1.263 122.430 121.300 -0.222 0.000 2.358 307 W HA -0.096 4.564 4.660 -0.000 0.000 0.303 307 W C -0.481 175.821 176.519 -0.361 0.000 1.208 307 W CA 0.362 57.422 57.345 -0.475 0.000 1.274 307 W CB -1.541 27.223 29.460 -1.161 0.000 1.138 307 W HN 0.174 nan 8.180 nan 0.000 0.515 308 P HA 0.028 nan 4.420 nan 0.000 0.240 308 P C 0.092 177.346 177.300 -0.075 0.000 1.190 308 P CA 1.133 64.297 63.100 0.107 0.000 0.781 308 P CB -0.028 31.778 31.700 0.176 0.000 0.931 309 T N 1.619 116.035 114.554 -0.231 0.000 2.794 309 T HA 0.121 4.471 4.350 -0.000 0.000 0.296 309 T C 0.058 174.428 174.700 -0.550 0.000 0.949 309 T CA -0.136 61.752 62.100 -0.354 0.000 1.101 309 T CB 0.757 69.382 68.868 -0.404 0.000 0.905 309 T HN 0.069 nan 8.240 nan 0.000 0.516 310 E N 2.795 122.784 120.200 -0.352 0.000 2.152 310 E HA 0.103 4.453 4.350 -0.000 0.000 0.285 310 E C -0.127 176.339 176.600 -0.223 0.000 1.043 310 E CA -0.380 55.845 56.400 -0.291 0.000 0.839 310 E CB 0.378 29.991 29.700 -0.145 0.000 1.069 310 E HN 0.649 nan 8.360 nan 0.000 0.399 311 Y N 3.709 123.991 120.300 -0.030 0.000 2.286 311 Y HA -0.044 4.506 4.550 -0.001 0.000 0.293 311 Y C 1.044 176.942 175.900 -0.003 0.000 1.124 311 Y CA -0.085 58.000 58.100 -0.026 0.000 1.178 311 Y CB 0.096 38.529 38.460 -0.046 0.000 1.010 311 Y HN 0.496 nan 8.280 nan 0.000 0.536 312 L N 1.608 122.913 121.223 0.137 0.000 3.739 312 L HA -0.268 4.072 4.340 -0.000 0.000 0.442 312 L C -0.755 176.158 176.870 0.072 0.000 1.241 312 L CA 1.212 56.103 54.840 0.086 0.000 0.819 312 L CB -1.790 40.320 42.059 0.085 0.000 1.679 312 L HN 0.450 nan 8.230 nan 0.000 0.889 313 D N -1.634 118.812 120.400 0.077 0.000 2.725 313 D HA 0.315 4.955 4.640 -0.000 0.000 0.292 313 D C -0.179 176.122 176.300 0.001 0.000 1.288 313 D CA -0.635 53.383 54.000 0.030 0.000 0.784 313 D CB 0.759 41.575 40.800 0.026 0.000 1.308 313 D HN -0.054 nan 8.370 nan 0.000 0.429 314 L N 1.938 123.143 121.223 -0.030 0.000 2.416 314 L HA 0.342 4.682 4.340 -0.000 0.000 0.243 314 L C -0.232 176.573 176.870 -0.108 0.000 1.373 314 L CA 0.370 55.182 54.840 -0.048 0.000 1.227 314 L CB -0.728 41.312 42.059 -0.031 0.000 1.428 314 L HN 0.141 nan 8.230 nan 0.000 0.425 315 I N 0.865 121.336 120.570 -0.165 0.000 2.730 315 I HA 0.519 4.688 4.170 -0.000 0.000 0.298 315 I C -0.687 175.244 176.117 -0.310 0.000 1.089 315 I CA -0.663 60.409 61.300 -0.380 0.000 1.041 315 I CB 3.105 40.646 38.000 -0.765 0.000 1.235 315 I HN 0.108 nan 8.210 nan 0.000 0.423 316 I N 3.168 123.566 120.570 -0.285 0.000 2.752 316 I HA 0.711 4.881 4.170 -0.000 0.000 0.295 316 I C -1.220 174.880 176.117 -0.028 0.000 1.219 316 I CA -0.415 60.860 61.300 -0.042 0.000 1.030 316 I CB 2.066 40.067 38.000 0.002 0.000 1.259 316 I HN 0.715 nan 8.210 nan 0.000 0.423 317 A N 7.751 130.646 122.820 0.125 0.000 2.330 317 A HA 0.819 5.139 4.320 -0.000 0.000 0.327 317 A C -1.070 176.639 177.584 0.208 0.000 1.155 317 A CA -0.517 51.555 52.037 0.059 0.000 0.803 317 A CB 0.930 19.843 19.000 -0.145 0.000 1.208 317 A HN 0.588 nan 8.150 nan 0.000 0.477 318 I N 1.566 122.272 120.570 0.226 0.000 2.433 318 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 318 I C -0.080 176.239 176.117 0.337 0.000 1.001 318 I CA -0.564 60.883 61.300 0.245 0.000 1.119 318 I CB 2.094 40.179 38.000 0.142 0.000 1.289 318 I HN 0.736 nan 8.210 nan 0.000 0.438 319 K N 5.166 125.686 120.400 0.200 0.000 2.378 319 K HA 0.610 4.930 4.320 -0.000 0.000 0.252 319 K C -1.442 175.155 176.600 -0.005 0.000 0.931 319 K CA -0.563 55.730 56.287 0.009 0.000 0.794 319 K CB 2.151 34.380 32.500 -0.452 0.000 1.181 319 K HN 0.363 nan 8.250 nan 0.000 0.425 320 V N 4.718 124.633 119.914 0.003 0.000 2.546 320 V HA 0.320 4.439 4.120 -0.000 0.000 0.284 320 V C -0.084 175.985 176.094 -0.041 0.000 1.050 320 V CA -0.513 61.801 62.300 0.023 0.000 0.981 320 V CB 1.047 32.892 31.823 0.037 0.000 0.990 320 V HN 0.623 nan 8.190 nan 0.000 0.474 321 V N 2.462 122.359 119.914 -0.029 0.000 2.960 321 V HA 0.574 4.693 4.120 -0.000 0.000 0.315 321 V C 0.793 176.802 176.094 -0.142 0.000 1.087 321 V CA -0.804 61.439 62.300 -0.094 0.000 0.982 321 V CB 1.891 33.631 31.823 -0.137 0.000 1.039 321 V HN 0.693 nan 8.190 nan 0.000 0.437 322 K N 1.373 121.670 120.400 -0.173 0.000 2.103 322 K HA 0.005 4.324 4.320 -0.000 0.000 0.204 322 K C 0.391 176.719 176.600 -0.454 0.000 1.052 322 K CA 1.753 57.903 56.287 -0.229 0.000 0.945 322 K CB 0.070 32.495 32.500 -0.126 0.000 0.722 322 K HN 1.071 nan 8.250 nan 0.000 0.443 323 N N -3.634 114.879 118.700 -0.312 0.000 3.356 323 N HA -0.122 4.618 4.740 -0.000 0.000 0.246 323 N C 0.138 175.603 175.510 -0.075 0.000 1.480 323 N CA -0.288 52.678 53.050 -0.139 0.000 0.877 323 N CB 0.878 39.365 38.487 0.001 0.000 1.431 323 N HN -0.239 nan 8.380 nan 0.000 0.500 324 V N 0.103 120.072 119.914 0.091 0.000 2.594 324 V HA -0.184 3.936 4.120 -0.000 0.000 0.253 324 V C 0.869 176.884 176.094 -0.131 0.000 1.069 324 V CA 2.345 64.596 62.300 -0.082 0.000 1.082 324 V CB -0.844 31.129 31.823 0.251 0.000 0.680 324 V HN 0.635 nan 8.190 nan 0.000 0.469 325 D N -0.245 120.119 120.400 -0.060 0.000 2.117 325 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 325 D C 2.166 178.403 176.300 -0.105 0.000 0.987 325 D CA 1.677 55.639 54.000 -0.063 0.000 0.829 325 D CB -0.186 40.593 40.800 -0.035 0.000 0.961 325 D HN 0.625 nan 8.370 nan 0.000 0.460 326 E N 0.019 120.140 120.200 -0.131 0.000 2.208 326 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 326 E C 1.902 178.400 176.600 -0.170 0.000 0.988 326 E CA 0.586 56.909 56.400 -0.129 0.000 0.828 326 E CB 0.121 29.747 29.700 -0.123 0.000 0.763 326 E HN 0.161 nan 8.360 nan 0.000 0.478 327 A N 1.177 123.797 122.820 -0.334 0.000 1.877 327 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 327 A C 2.106 179.580 177.584 -0.184 0.000 1.186 327 A CA 1.072 52.848 52.037 -0.435 0.000 0.620 327 A CB -0.578 17.648 19.000 -1.289 0.000 0.822 327 A HN 0.251 nan 8.150 nan 0.000 0.443 328 I N -0.427 120.049 120.570 -0.157 0.000 2.163 328 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 328 I C 2.601 178.644 176.117 -0.123 0.000 1.085 328 I CA 1.976 63.199 61.300 -0.129 0.000 1.347 328 I CB -0.355 37.576 38.000 -0.115 0.000 1.044 328 I HN 0.590 nan 8.210 nan 0.000 0.408 329 E N 0.376 120.516 120.200 -0.101 0.000 2.085 329 E HA -0.337 4.013 4.350 -0.000 0.000 0.194 329 E C 2.146 178.692 176.600 -0.089 0.000 0.994 329 E CA 1.706 58.049 56.400 -0.096 0.000 0.801 329 E CB -0.128 29.525 29.700 -0.078 0.000 0.743 329 E HN 0.579 nan 8.360 nan 0.000 0.453 330 H N 0.017 119.012 119.070 -0.124 0.000 2.326 330 H HA -0.035 4.521 4.556 -0.000 0.000 0.301 330 H C 2.012 177.296 175.328 -0.074 0.000 1.081 330 H CA 2.109 58.126 56.048 -0.052 0.000 1.334 330 H CB -0.035 29.691 29.762 -0.060 0.000 1.385 330 H HN 0.180 nan 8.280 nan 0.000 0.504 331 I N 0.409 120.915 120.570 -0.107 0.000 2.315 331 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 331 I C 2.244 178.221 176.117 -0.234 0.000 1.117 331 I CA 1.254 62.356 61.300 -0.330 0.000 1.404 331 I CB -0.210 37.619 38.000 -0.285 0.000 1.071 331 I HN 0.268 nan 8.210 nan 0.000 0.419 332 K N 0.734 121.015 120.400 -0.197 0.000 2.097 332 K HA -0.228 4.091 4.320 -0.000 0.000 0.206 332 K C 2.163 178.633 176.600 -0.217 0.000 1.049 332 K CA 1.262 57.442 56.287 -0.179 0.000 0.933 332 K CB -0.134 32.270 32.500 -0.159 0.000 0.717 332 K HN 0.232 nan 8.250 nan 0.000 0.442 333 K N -0.123 120.083 120.400 -0.323 0.000 2.103 333 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 333 K C 1.109 177.359 176.600 -0.584 0.000 1.052 333 K CA 1.336 57.297 56.287 -0.543 0.000 0.945 333 K CB 0.159 32.144 32.500 -0.857 0.000 0.722 333 K HN 0.161 nan 8.250 nan 0.000 0.443 334 Y N -0.509 119.690 120.300 -0.168 0.000 2.453 334 Y HA 0.213 4.763 4.550 -0.000 0.000 0.247 334 Y C 0.694 176.654 175.900 0.101 0.000 1.124 334 Y CA -0.606 57.478 58.100 -0.027 0.000 1.243 334 Y CB 1.005 39.473 38.460 0.014 0.000 1.213 334 Y HN -0.085 nan 8.280 nan 0.000 0.523 335 S N 0.651 116.446 115.700 0.160 0.000 2.579 335 S HA 0.040 4.510 4.470 -0.000 0.000 0.275 335 S C 1.255 175.933 174.600 0.130 0.000 1.345 335 S CA 0.266 58.587 58.200 0.201 0.000 1.031 335 S CB 0.633 63.877 63.200 0.073 0.000 0.892 335 S HN 0.414 nan 8.310 nan 0.000 0.529 336 T N 0.463 115.101 114.554 0.140 0.000 3.145 336 T HA 0.427 4.777 4.350 -0.000 0.000 0.255 336 T C 1.178 175.939 174.700 0.103 0.000 1.039 336 T CA 0.284 62.436 62.100 0.087 0.000 0.928 336 T CB -0.238 68.663 68.868 0.055 0.000 1.029 336 T HN 1.604 nan 8.240 nan 0.000 0.554 337 G N 0.964 109.835 108.800 0.119 0.000 2.160 337 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.244 337 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.244 337 G C 0.359 175.342 174.900 0.138 0.000 1.022 337 G CA 0.484 45.645 45.100 0.101 0.000 0.741 337 G HN 0.619 nan 8.290 nan 0.000 0.508 338 H N 0.084 119.219 119.070 0.108 0.000 2.298 338 H HA 0.447 5.002 4.556 -0.000 0.000 0.331 338 H C 0.575 176.007 175.328 0.174 0.000 1.161 338 H CA 1.491 57.613 56.048 0.125 0.000 1.711 338 H CB 0.559 30.389 29.762 0.113 0.000 1.512 338 H HN 0.310 nan 8.280 nan 0.000 0.604 339 S N 1.222 117.236 115.700 0.522 0.000 2.538 339 S HA 0.419 4.889 4.470 -0.000 0.000 0.288 339 S C -1.180 173.677 174.600 0.429 0.000 1.108 339 S CA -0.857 57.647 58.200 0.507 0.000 0.971 339 S CB 2.778 66.324 63.200 0.577 0.000 1.041 339 S HN 0.339 nan 8.310 nan 0.000 0.483 340 E N 1.098 121.587 120.200 0.481 0.000 2.331 340 E HA 0.576 4.925 4.350 -0.000 0.000 0.275 340 E C -1.166 175.818 176.600 0.641 0.000 0.895 340 E CA -0.573 56.125 56.400 0.497 0.000 0.753 340 E CB 2.190 32.112 29.700 0.371 0.000 1.216 340 E HN 0.426 nan 8.360 nan 0.000 0.434 341 S N 2.181 118.218 115.700 0.562 0.000 2.536 341 S HA 0.695 5.165 4.470 -0.000 0.000 0.287 341 S C -1.062 173.567 174.600 0.049 0.000 1.101 341 S CA -0.740 57.697 58.200 0.394 0.000 0.950 341 S CB 0.924 64.260 63.200 0.228 0.000 1.056 341 S HN 0.542 nan 8.310 nan 0.000 0.481 342 I N 5.066 125.467 120.570 -0.283 0.000 2.433 342 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 342 I C -1.544 174.417 176.117 -0.260 0.000 1.001 342 I CA -1.140 59.837 61.300 -0.539 0.000 1.119 342 I CB 0.982 38.318 38.000 -1.107 0.000 1.289 342 I HN 0.611 nan 8.210 nan 0.000 0.438 343 L N 7.267 128.319 121.223 -0.285 0.000 2.280 343 L HA 0.594 4.934 4.340 -0.000 0.000 0.287 343 L C -0.197 176.492 176.870 -0.301 0.000 1.023 343 L CA -0.233 54.467 54.840 -0.233 0.000 0.819 343 L CB 1.369 43.298 42.059 -0.217 0.000 1.212 343 L HN 0.613 nan 8.230 nan 0.000 0.420 344 T N 0.581 115.016 114.554 -0.199 0.000 2.830 344 T HA 0.236 4.585 4.350 -0.000 0.000 0.322 344 T C -0.313 174.329 174.700 -0.097 0.000 1.501 344 T CA -0.403 61.591 62.100 -0.177 0.000 1.036 344 T CB 1.824 70.597 68.868 -0.159 0.000 1.379 344 T HN 0.591 nan 8.240 nan 0.000 0.493 345 E N 1.697 121.848 120.200 -0.082 0.000 2.501 345 E HA 0.158 4.507 4.350 -0.000 0.000 0.200 345 E C 0.005 176.607 176.600 0.003 0.000 1.016 345 E CA -0.134 56.245 56.400 -0.035 0.000 0.921 345 E CB 0.343 30.016 29.700 -0.044 0.000 1.034 345 E HN 0.441 nan 8.360 nan 0.000 0.468 346 N N 0.831 119.533 118.700 0.004 0.000 2.457 346 N HA -0.015 4.725 4.740 -0.000 0.000 0.250 346 N C 0.604 176.168 175.510 0.090 0.000 0.982 346 N CA -0.106 52.972 53.050 0.048 0.000 0.941 346 N CB 0.736 39.238 38.487 0.026 0.000 1.120 346 N HN -0.029 nan 8.380 nan 0.000 0.505 347 Y N 4.076 124.380 120.300 0.008 0.000 2.081 347 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 347 Y C 2.040 177.960 175.900 0.033 0.000 1.163 347 Y CA 2.188 60.299 58.100 0.018 0.000 1.135 347 Y CB -0.217 38.250 38.460 0.011 0.000 0.970 347 Y HN 0.549 nan 8.280 nan 0.000 0.498 348 S N 0.486 116.182 115.700 -0.007 0.000 2.383 348 S HA -0.172 4.297 4.470 -0.000 0.000 0.227 348 S C 1.637 176.203 174.600 -0.056 0.000 1.026 348 S CA 1.302 59.449 58.200 -0.089 0.000 0.981 348 S CB -0.375 62.854 63.200 0.047 0.000 0.818 348 S HN 0.553 nan 8.310 nan 0.000 0.472 349 N N 1.964 120.673 118.700 0.016 0.000 2.171 349 N HA 0.093 4.833 4.740 -0.000 0.000 0.184 349 N C 1.805 177.367 175.510 0.087 0.000 1.021 349 N CA 1.165 54.262 53.050 0.078 0.000 0.854 349 N CB -0.713 37.843 38.487 0.114 0.000 0.994 349 N HN 0.383 nan 8.380 nan 0.000 0.426 350 A N 1.314 124.147 122.820 0.021 0.000 1.865 350 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 350 A C 2.162 179.765 177.584 0.032 0.000 1.191 350 A CA 1.634 53.690 52.037 0.031 0.000 0.623 350 A CB -0.582 18.414 19.000 -0.006 0.000 0.826 350 A HN 0.263 nan 8.150 nan 0.000 0.444 351 K N -0.311 120.016 120.400 -0.122 0.000 2.032 351 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 351 K C 2.230 178.803 176.600 -0.045 0.000 1.048 351 K CA 1.996 58.189 56.287 -0.155 0.000 0.927 351 K CB -0.175 32.093 32.500 -0.386 0.000 0.712 351 K HN 0.477 nan 8.250 nan 0.000 0.441 352 K N -0.312 120.084 120.400 -0.007 0.000 2.057 352 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 352 K C 2.022 178.667 176.600 0.075 0.000 1.050 352 K CA 1.407 57.709 56.287 0.025 0.000 0.935 352 K CB -0.251 32.273 32.500 0.040 0.000 0.715 352 K HN 0.102 nan 8.250 nan 0.000 0.439 353 F N 0.922 120.871 119.950 -0.002 0.000 2.095 353 F HA -0.220 4.306 4.527 -0.000 0.000 0.298 353 F C 1.910 177.719 175.800 0.014 0.000 1.104 353 F CA 1.340 59.355 58.000 0.025 0.000 1.232 353 F CB -0.258 38.793 39.000 0.085 0.000 0.987 353 F HN -0.188 nan 8.300 nan 0.000 0.475 354 V N -0.895 119.133 119.914 0.190 0.000 2.515 354 V HA -0.250 3.869 4.120 -0.000 0.000 0.250 354 V C 2.520 178.601 176.094 -0.021 0.000 1.058 354 V CA 1.965 64.317 62.300 0.086 0.000 1.064 354 V CB -0.399 31.477 31.823 0.088 0.000 0.675 354 V HN 0.532 nan 8.190 nan 0.000 0.461 355 S N -0.702 114.980 115.700 -0.030 0.000 2.406 355 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 355 S C 1.810 176.363 174.600 -0.079 0.000 1.030 355 S CA 1.158 59.328 58.200 -0.049 0.000 0.958 355 S CB -0.065 63.111 63.200 -0.040 0.000 0.811 355 S HN 0.716 nan 8.310 nan 0.000 0.489 356 E N 0.022 120.155 120.200 -0.111 0.000 2.318 356 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 356 E C -0.228 176.252 176.600 -0.200 0.000 0.998 356 E CA 0.121 56.438 56.400 -0.137 0.000 0.859 356 E CB 0.224 29.850 29.700 -0.123 0.000 0.812 356 E HN 0.415 nan 8.360 nan 0.000 0.492 357 I N 2.354 122.743 120.570 -0.302 0.000 2.325 357 I HA 0.103 4.273 4.170 -0.000 0.000 0.291 357 I C -0.298 175.710 176.117 -0.182 0.000 1.019 357 I CA -0.291 60.804 61.300 -0.342 0.000 1.302 357 I CB 0.711 38.320 38.000 -0.652 0.000 1.401 357 I HN -0.089 nan 8.210 nan 0.000 0.485 358 D N 6.147 126.473 120.400 -0.123 0.000 2.427 358 D HA 0.661 5.301 4.640 -0.000 0.000 0.226 358 D C -0.695 175.587 176.300 -0.031 0.000 1.076 358 D CA -0.149 53.812 54.000 -0.066 0.000 0.849 358 D CB 0.992 41.759 40.800 -0.054 0.000 1.052 358 D HN 0.719 nan 8.370 nan 0.000 0.515 359 A N 2.470 125.287 122.820 -0.004 0.000 2.609 359 A HA 0.673 4.993 4.320 -0.000 0.000 0.291 359 A C 0.839 178.444 177.584 0.036 0.000 1.096 359 A CA -0.169 51.891 52.037 0.039 0.000 0.684 359 A CB 0.806 19.863 19.000 0.094 0.000 1.282 359 A HN 0.544 nan 8.150 nan 0.000 0.412 360 A N -0.059 122.781 122.820 0.034 0.000 1.948 360 A HA 0.356 4.676 4.320 -0.000 0.000 0.220 360 A C 1.215 178.832 177.584 0.055 0.000 1.177 360 A CA 2.367 54.415 52.037 0.019 0.000 0.636 360 A CB -0.404 18.566 19.000 -0.050 0.000 0.815 360 A HN 2.460 nan 8.150 nan 0.000 0.449 361 A N -1.063 121.814 122.820 0.096 0.000 2.381 361 A HA 0.590 4.910 4.320 -0.000 0.000 0.299 361 A C -1.013 176.600 177.584 0.048 0.000 1.049 361 A CA -0.382 51.691 52.037 0.061 0.000 0.715 361 A CB 1.606 20.735 19.000 0.216 0.000 1.222 361 A HN 0.482 nan 8.150 nan 0.000 0.428 362 V N 2.862 122.717 119.914 -0.098 0.000 2.444 362 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 362 V C -1.216 174.856 176.094 -0.036 0.000 1.022 362 V CA -0.447 61.893 62.300 0.067 0.000 0.850 362 V CB 0.887 32.753 31.823 0.071 0.000 0.992 362 V HN 0.788 nan 8.190 nan 0.000 0.426 363 Y N 2.631 123.105 120.300 0.290 0.000 2.409 363 Y HA 0.696 5.246 4.550 -0.000 0.000 0.339 363 Y C 0.038 176.045 175.900 0.178 0.000 1.033 363 Y CA -1.026 57.209 58.100 0.225 0.000 1.094 363 Y CB 2.196 40.798 38.460 0.237 0.000 1.210 363 Y HN 0.372 nan 8.280 nan 0.000 0.456 364 V N 3.211 123.282 119.914 0.261 0.000 2.384 364 V HA 0.248 4.368 4.120 -0.000 0.000 0.287 364 V C -0.599 175.576 176.094 0.136 0.000 1.020 364 V CA -1.332 61.050 62.300 0.137 0.000 0.850 364 V CB 1.060 32.934 31.823 0.086 0.000 0.987 364 V HN 0.931 nan 8.190 nan 0.000 0.436 365 N N 2.535 121.282 118.700 0.078 0.000 2.727 365 N HA -0.174 4.565 4.740 -0.000 0.000 0.251 365 N C -0.319 175.267 175.510 0.126 0.000 1.040 365 N CA 1.225 54.312 53.050 0.060 0.000 0.712 365 N CB -0.671 37.837 38.487 0.034 0.000 0.912 365 N HN 1.225 nan 8.380 nan 0.000 0.545 366 A N -1.260 121.659 122.820 0.165 0.000 2.594 366 A HA 0.686 5.005 4.320 -0.000 0.000 0.296 366 A C -0.039 177.579 177.584 0.056 0.000 1.061 366 A CA -0.211 51.970 52.037 0.240 0.000 0.689 366 A CB 1.343 20.600 19.000 0.429 0.000 1.280 366 A HN 0.253 nan 8.150 nan 0.000 0.406 367 S N -0.123 115.577 115.700 -0.000 0.000 2.572 367 S HA 0.329 4.798 4.470 -0.000 0.000 0.279 367 S C 1.609 175.881 174.600 -0.546 0.000 1.341 367 S CA 0.540 58.577 58.200 -0.271 0.000 1.043 367 S CB 0.374 63.325 63.200 -0.415 0.000 0.887 367 S HN 1.569 nan 8.310 nan 0.000 0.516 368 T N 2.639 116.916 114.554 -0.462 0.000 3.072 368 T HA 0.068 4.418 4.350 -0.000 0.000 0.266 368 T C 1.575 176.128 174.700 -0.244 0.000 1.127 368 T CA 0.172 62.010 62.100 -0.437 0.000 1.107 368 T CB -0.140 68.661 68.868 -0.110 0.000 0.910 368 T HN 0.538 nan 8.240 nan 0.000 0.513 369 R N 0.311 120.610 120.500 -0.334 0.000 2.241 369 R HA 0.059 4.399 4.340 -0.000 0.000 0.224 369 R C 1.185 177.346 176.300 -0.232 0.000 1.101 369 R CA 0.580 56.501 56.100 -0.298 0.000 0.995 369 R CB -0.769 29.286 30.300 -0.408 0.000 0.870 369 R HN 0.487 nan 8.270 nan 0.000 0.463 370 F N 0.371 120.305 119.950 -0.026 0.000 2.661 370 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 370 F C 0.964 176.708 175.800 -0.094 0.000 1.137 370 F CA 0.444 58.490 58.000 0.077 0.000 1.454 370 F CB -0.312 38.887 39.000 0.331 0.000 1.103 370 F HN -0.280 nan 8.300 nan 0.000 0.577 371 T N 1.638 116.254 114.554 0.103 0.000 2.848 371 T HA 0.263 4.612 4.350 -0.000 0.000 0.283 371 T C -0.636 173.886 174.700 -0.297 0.000 0.919 371 T CA 0.132 62.135 62.100 -0.162 0.000 1.071 371 T CB -0.349 68.647 68.868 0.215 0.000 0.912 371 T HN 0.233 nan 8.240 nan 0.000 0.570 372 D N 0.934 120.943 120.400 -0.651 0.000 2.721 372 D HA 0.328 4.968 4.640 -0.000 0.000 0.221 372 D C 1.159 177.215 176.300 -0.406 0.000 1.208 372 D CA -0.405 53.375 54.000 -0.366 0.000 0.755 372 D CB 0.192 40.892 40.800 -0.165 0.000 1.732 372 D HN 0.239 nan 8.370 nan 0.000 0.490 373 G N 1.829 110.458 108.800 -0.285 0.000 2.418 373 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 373 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 373 G C 1.344 176.290 174.900 0.076 0.000 1.158 373 G CA 0.968 45.919 45.100 -0.248 0.000 0.771 373 G HN 0.590 nan 8.290 nan 0.000 0.545 374 G N 0.052 108.886 108.800 0.057 0.000 2.440 374 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 374 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 374 G C 1.826 176.826 174.900 0.167 0.000 1.154 374 G CA 1.054 46.224 45.100 0.117 0.000 0.767 374 G HN 0.366 nan 8.290 nan 0.000 0.552 375 Q N -0.318 119.569 119.800 0.146 0.000 2.167 375 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 375 Q C 1.916 178.165 176.000 0.415 0.000 0.970 375 Q CA 0.611 56.562 55.803 0.246 0.000 0.855 375 Q CB -0.273 28.628 28.738 0.272 0.000 0.911 375 Q HN 0.521 nan 8.270 nan 0.000 0.438 376 F N -0.253 119.817 119.950 0.199 0.000 2.773 376 F HA 0.256 4.782 4.527 -0.000 0.000 0.304 376 F C 1.404 177.395 175.800 0.319 0.000 1.129 376 F CA 0.231 58.386 58.000 0.259 0.000 1.378 376 F CB -0.197 38.988 39.000 0.309 0.000 1.095 376 F HN 0.190 nan 8.300 nan 0.000 0.565 377 G N -0.369 108.679 108.800 0.413 0.000 2.136 377 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.242 377 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.242 377 G C 0.853 175.891 174.900 0.230 0.000 0.989 377 G CA 0.180 45.425 45.100 0.242 0.000 0.682 377 G HN 0.297 nan 8.290 nan 0.000 0.522 378 F N 0.392 120.409 119.950 0.112 0.000 2.615 378 F HA 0.360 4.887 4.527 -0.000 0.000 0.297 378 F C 2.439 178.275 175.800 0.060 0.000 1.124 378 F CA 1.372 59.422 58.000 0.083 0.000 1.451 378 F CB 0.107 39.163 39.000 0.094 0.000 1.103 378 F HN 0.756 nan 8.300 nan 0.000 0.569 379 G N 0.219 109.163 108.800 0.240 0.000 3.329 379 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 379 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 379 G C 0.306 175.280 174.900 0.124 0.000 1.358 379 G CA 0.128 45.315 45.100 0.145 0.000 0.856 379 G HN 0.872 nan 8.290 nan 0.000 0.551 380 A N 0.009 122.915 122.820 0.143 0.000 2.594 380 A HA 0.783 5.103 4.320 -0.000 0.000 0.295 380 A C -0.586 177.053 177.584 0.091 0.000 1.071 380 A CA 0.639 52.731 52.037 0.090 0.000 0.685 380 A CB 1.388 20.429 19.000 0.068 0.000 1.285 380 A HN 1.570 nan 8.150 nan 0.000 0.405 381 E N 0.703 120.921 120.200 0.029 0.000 2.416 381 E HA 0.668 5.018 4.350 -0.000 0.000 0.273 381 E C -0.572 176.023 176.600 -0.008 0.000 0.935 381 E CA -0.916 55.481 56.400 -0.006 0.000 0.784 381 E CB 1.465 31.109 29.700 -0.094 0.000 1.301 381 E HN 0.355 nan 8.360 nan 0.000 0.454 382 I N 0.253 120.819 120.570 -0.007 0.000 2.703 382 I HA 0.269 4.439 4.170 -0.000 0.000 0.259 382 I C 0.999 177.108 176.117 -0.015 0.000 1.151 382 I CA 1.007 62.300 61.300 -0.011 0.000 1.470 382 I CB 0.238 38.239 38.000 0.001 0.000 1.112 382 I HN 0.760 nan 8.210 nan 0.000 0.437 383 G N 0.784 109.572 108.800 -0.021 0.000 2.317 383 G HA2 0.265 4.224 3.960 -0.000 0.000 0.293 383 G HA3 0.265 4.224 3.960 -0.000 0.000 0.293 383 G C -1.458 173.423 174.900 -0.032 0.000 1.287 383 G CA -0.714 44.378 45.100 -0.014 0.000 0.850 383 G HN -0.148 nan 8.290 nan 0.000 0.515 384 I N 2.027 122.591 120.570 -0.010 0.000 2.307 384 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 384 I C 0.955 177.057 176.117 -0.026 0.000 1.021 384 I CA -0.448 60.818 61.300 -0.057 0.000 1.224 384 I CB 0.705 38.653 38.000 -0.087 0.000 1.376 384 I HN 0.458 nan 8.210 nan 0.000 0.470 385 S N 4.491 120.180 115.700 -0.019 0.000 2.549 385 S HA 0.210 4.680 4.470 -0.000 0.000 0.279 385 S C 1.041 175.637 174.600 -0.007 0.000 1.321 385 S CA -0.146 58.065 58.200 0.019 0.000 1.054 385 S CB 0.383 63.614 63.200 0.051 0.000 0.899 385 S HN 0.756 nan 8.310 nan 0.000 0.497 386 T N 1.602 116.172 114.554 0.027 0.000 3.182 386 T HA 0.239 4.589 4.350 -0.000 0.000 0.277 386 T C 0.335 175.065 174.700 0.050 0.000 1.013 386 T CA -0.566 61.549 62.100 0.025 0.000 0.900 386 T CB -0.279 68.622 68.868 0.055 0.000 1.098 386 T HN 0.796 nan 8.240 nan 0.000 0.543 387 Q N 0.642 120.484 119.800 0.070 0.000 2.205 387 Q HA 0.477 4.817 4.340 -0.000 0.000 0.249 387 Q C -0.210 175.858 176.000 0.114 0.000 0.948 387 Q CA -1.133 54.724 55.803 0.091 0.000 0.895 387 Q CB 1.559 30.368 28.738 0.118 0.000 1.249 387 Q HN 0.077 nan 8.270 nan 0.000 0.458 388 R N 1.317 121.894 120.500 0.129 0.000 4.141 388 R HA 0.305 4.645 4.340 -0.000 0.000 0.281 388 R C -1.535 174.934 176.300 0.281 0.000 1.608 388 R CA -0.056 56.130 56.100 0.143 0.000 1.426 388 R CB -0.070 30.288 30.300 0.097 0.000 1.432 388 R HN 0.539 nan 8.270 nan 0.000 0.708 389 F N -0.496 119.487 119.950 0.054 0.000 2.767 389 F HA 0.094 4.621 4.527 -0.000 0.000 0.341 389 F C 0.470 176.362 175.800 0.153 0.000 1.192 389 F CA -0.653 57.397 58.000 0.082 0.000 1.127 389 F CB 0.629 39.670 39.000 0.068 0.000 1.388 389 F HN 0.428 nan 8.300 nan 0.000 0.574 390 H N 2.775 121.641 119.070 -0.339 0.000 4.823 390 H HA -0.188 4.368 4.556 -0.000 0.000 0.064 390 H C -0.875 174.414 175.328 -0.066 0.000 0.599 390 H CA 1.919 57.821 56.048 -0.243 0.000 0.956 390 H CB -1.180 28.468 29.762 -0.190 0.000 0.432 390 H HN 1.229 nan 8.280 nan 0.000 0.798 391 A N 0.278 123.129 122.820 0.051 0.000 2.520 391 A HA 0.771 5.090 4.320 -0.000 0.000 0.298 391 A C -0.837 176.795 177.584 0.079 0.000 1.051 391 A CA 0.056 52.115 52.037 0.038 0.000 0.690 391 A CB 1.846 20.924 19.000 0.131 0.000 1.281 391 A HN 0.556 nan 8.150 nan 0.000 0.402 392 R N 1.011 121.544 120.500 0.056 0.000 2.725 392 R HA 0.658 4.998 4.340 -0.000 0.000 0.277 392 R C 0.487 176.812 176.300 0.043 0.000 0.987 392 R CA 0.850 56.978 56.100 0.047 0.000 0.901 392 R CB 1.830 32.155 30.300 0.041 0.000 1.207 392 R HN 2.605 nan 8.270 nan 0.000 0.463 393 G N 2.813 111.615 108.800 0.002 0.000 2.593 393 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.237 393 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.237 393 G C -2.552 172.289 174.900 -0.098 0.000 1.312 393 G CA -0.670 44.418 45.100 -0.020 0.000 0.896 393 G HN 0.524 nan 8.290 nan 0.000 0.574 394 P HA 0.351 nan 4.420 nan 0.000 0.264 394 P C 0.113 177.248 177.300 -0.276 0.000 1.193 394 P CA -0.175 62.680 63.100 -0.408 0.000 0.763 394 P CB 0.843 32.014 31.700 -0.880 0.000 0.810 395 V N 4.572 124.421 119.914 -0.109 0.000 2.304 395 V HA 0.446 4.566 4.120 -0.000 0.000 0.262 395 V C 1.096 177.234 176.094 0.072 0.000 1.061 395 V CA 0.263 62.583 62.300 0.033 0.000 0.872 395 V CB 0.234 32.084 31.823 0.044 0.000 1.077 395 V HN 0.747 nan 8.190 nan 0.000 0.480 396 G N 2.498 111.427 108.800 0.216 0.000 3.008 396 G HA2 0.510 4.469 3.960 -0.000 0.000 0.181 396 G HA3 0.510 4.469 3.960 -0.000 0.000 0.181 396 G C 0.732 175.760 174.900 0.213 0.000 1.309 396 G CA -0.719 44.545 45.100 0.274 0.000 1.009 396 G HN 0.456 nan 8.290 nan 0.000 0.584 397 L N -0.439 120.893 121.223 0.181 0.000 2.017 397 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 397 L C 3.035 179.972 176.870 0.110 0.000 1.073 397 L CA 1.395 56.305 54.840 0.118 0.000 0.745 397 L CB -0.246 41.863 42.059 0.084 0.000 0.894 397 L HN 0.519 nan 8.230 nan 0.000 0.432 398 R N 0.283 120.842 120.500 0.098 0.000 2.120 398 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 398 R C 1.921 178.285 176.300 0.106 0.000 1.123 398 R CA 1.328 57.471 56.100 0.071 0.000 0.975 398 R CB 0.086 30.393 30.300 0.012 0.000 0.866 398 R HN 0.257 nan 8.270 nan 0.000 0.446 399 E N 0.164 120.456 120.200 0.154 0.000 2.418 399 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 399 E C 0.849 177.602 176.600 0.254 0.000 1.026 399 E CA 0.574 57.082 56.400 0.179 0.000 0.862 399 E CB 0.169 29.985 29.700 0.194 0.000 0.799 399 E HN 0.357 nan 8.360 nan 0.000 0.518 400 L N 0.952 122.281 121.223 0.178 0.000 2.728 400 L HA 0.206 4.546 4.340 -0.000 0.000 0.235 400 L C 0.311 177.264 176.870 0.138 0.000 1.197 400 L CA -0.116 54.807 54.840 0.139 0.000 0.992 400 L CB -0.521 41.596 42.059 0.096 0.000 1.263 400 L HN 0.062 nan 8.230 nan 0.000 0.484 401 T N -5.118 109.542 114.554 0.178 0.000 2.916 401 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 401 T C -0.194 174.635 174.700 0.215 0.000 1.055 401 T CA -0.512 61.685 62.100 0.163 0.000 1.009 401 T CB 3.030 71.976 68.868 0.128 0.000 1.118 401 T HN -0.061 nan 8.240 nan 0.000 0.497 402 T N -0.325 114.333 114.554 0.174 0.000 2.602 402 T HA 0.785 5.135 4.350 -0.000 0.000 0.235 402 T C -1.559 173.248 174.700 0.179 0.000 0.882 402 T CA -0.423 61.773 62.100 0.161 0.000 1.123 402 T CB 0.523 69.411 68.868 0.033 0.000 1.662 402 T HN 0.948 nan 8.240 nan 0.000 0.536 403 Y N -0.675 119.641 120.300 0.027 0.000 2.725 403 Y HA 0.760 5.310 4.550 -0.000 0.000 0.333 403 Y C -1.222 174.669 175.900 -0.016 0.000 1.242 403 Y CA -1.350 56.734 58.100 -0.026 0.000 1.059 403 Y CB 0.864 39.265 38.460 -0.099 0.000 1.306 403 Y HN 0.862 nan 8.280 nan 0.000 0.454 404 K N 0.327 120.788 120.400 0.103 0.000 2.555 404 K HA 0.626 4.946 4.320 -0.000 0.000 0.279 404 K C -2.211 174.417 176.600 0.047 0.000 0.986 404 K CA -0.792 55.545 56.287 0.084 0.000 0.880 404 K CB 2.120 34.663 32.500 0.072 0.000 1.474 404 K HN 0.562 nan 8.250 nan 0.000 0.433 405 F N 1.163 121.167 119.950 0.090 0.000 2.411 405 F HA 0.342 4.869 4.527 -0.000 0.000 0.350 405 F C -0.142 175.646 175.800 -0.020 0.000 1.114 405 F CA -0.590 57.431 58.000 0.035 0.000 1.135 405 F CB 1.853 40.869 39.000 0.026 0.000 1.120 405 F HN 0.095 nan 8.300 nan 0.000 0.495 406 V N 4.938 124.900 119.914 0.080 0.000 2.417 406 V HA 0.469 4.588 4.120 -0.000 0.000 0.291 406 V C -0.537 175.533 176.094 -0.040 0.000 1.024 406 V CA -0.740 61.566 62.300 0.009 0.000 0.861 406 V CB 1.724 33.529 31.823 -0.031 0.000 0.985 406 V HN 0.456 nan 8.190 nan 0.000 0.436 407 V N 6.750 126.632 119.914 -0.053 0.000 2.407 407 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 407 V C -0.405 175.614 176.094 -0.124 0.000 1.018 407 V CA -0.455 61.780 62.300 -0.109 0.000 0.842 407 V CB 1.744 33.510 31.823 -0.096 0.000 0.996 407 V HN 0.644 nan 8.190 nan 0.000 0.426 408 L N 5.035 126.165 121.223 -0.154 0.000 2.298 408 L HA 0.829 5.169 4.340 -0.000 0.000 0.284 408 L C 0.717 177.481 176.870 -0.176 0.000 1.013 408 L CA -0.101 54.655 54.840 -0.141 0.000 0.824 408 L CB 1.442 43.432 42.059 -0.114 0.000 1.221 408 L HN 0.753 nan 8.230 nan 0.000 0.418 409 G N 1.933 110.637 108.800 -0.160 0.000 3.108 409 G HA2 0.633 4.592 3.960 -0.000 0.000 0.268 409 G HA3 0.633 4.592 3.960 -0.000 0.000 0.268 409 G C -0.582 174.325 174.900 0.012 0.000 1.361 409 G CA -0.289 44.741 45.100 -0.117 0.000 1.047 409 G HN 0.608 nan 8.290 nan 0.000 0.540 410 E N -0.255 120.105 120.200 0.266 0.000 4.129 410 E HA 0.265 4.615 4.350 -0.000 0.000 0.222 410 E C -1.375 175.351 176.600 0.210 0.000 1.179 410 E CA -0.585 55.897 56.400 0.138 0.000 1.334 410 E CB 0.531 30.335 29.700 0.174 0.000 1.202 410 E HN 0.474 nan 8.360 nan 0.000 0.428 411 Y N -1.443 118.925 120.300 0.114 0.000 3.568 411 Y HA -0.245 4.305 4.550 -0.000 0.000 0.220 411 Y C 0.042 175.965 175.900 0.039 0.000 1.319 411 Y CA 0.132 58.264 58.100 0.053 0.000 1.629 411 Y CB -2.740 35.724 38.460 0.007 0.000 1.515 411 Y HN 0.514 nan 8.280 nan 0.000 0.613 412 H N -0.458 118.641 119.070 0.048 0.000 2.707 412 H HA 0.544 5.100 4.556 -0.000 0.000 0.359 412 H C 0.292 175.640 175.328 0.034 0.000 1.113 412 H CA 0.121 56.190 56.048 0.036 0.000 1.422 412 H CB 0.848 30.612 29.762 0.002 0.000 1.443 412 H HN 0.222 nan 8.280 nan 0.000 0.591 413 V N 0.812 120.804 119.914 0.130 0.000 2.876 413 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 413 V C -0.037 176.101 176.094 0.073 0.000 1.085 413 V CA -1.403 60.946 62.300 0.082 0.000 0.945 413 V CB 2.022 33.875 31.823 0.051 0.000 1.017 413 V HN 0.761 nan 8.190 nan 0.000 0.428 414 R N 2.216 122.748 120.500 0.053 0.000 2.340 414 R HA 0.336 4.675 4.340 -0.000 0.000 0.300 414 R C 0.429 176.750 176.300 0.035 0.000 1.069 414 R CA -0.201 55.925 56.100 0.043 0.000 0.984 414 R CB 0.758 31.075 30.300 0.028 0.000 1.003 414 R HN 0.993 nan 8.270 nan 0.000 0.459 415 E N 0.000 120.221 120.200 0.036 0.000 2.725 415 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 415 E CA 0.000 56.416 56.400 0.027 0.000 0.976 415 E CB 0.000 29.717 29.700 0.028 0.000 0.812 415 E HN 0.000 nan 8.360 nan 0.000 0.440