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 2wpg_1_A DATA FIRST_RESID 5 DATA SEQUENCE SPIDAAALRA SVAAALDPST AVATLARFDT HAPRLLDALS TLYGDHADYV DATA SEQUENCE TWLPQWLSAL GVVAQARPAA LRHLDDSRAP GWFGQQDMLG YSAYVDRFAG DATA SEQUENCE TLRGVAERVP YLQELGVRYL HLLPFLRARA GDNDGGFAVS DYGQVEPALG DATA SEQUENCE SNDDLVALTA RLRAANISLC ADFVLNHTAD DHAWAQAARA GDTRYLDYYH DATA SEQUENCE HFADRNAPDQ YDTTLVQVFP XXXPGNFTWV DETRQWMWTT FYPYQWDLNW DATA SEQUENCE SNPAVFGEMA LAMLELANLG VEAFRLDSTA YLWKRPGTNC MNQPEAHTIL DATA SEQUENCE VALRAVADIV APSVVMKAEA IVPMAELPPY FGSGVQRGHE CHLAYHSTLM DATA SEQUENCE AAGWSALALQ RGDILQDVIA HSPPLPPNCA WLSYVRCHDD IGWNVLQHEA DATA SEQUENCE AGTAAQPPFS LREVAQFYAN AVPGSYARGE SFQXXXXXVH GTNGMSAALV DATA SEQUENCE GVQAAHEHAD AAAAARAVDR LVLLYAVSLA MPGVPLIYMG DELALPNDTA DATA SEQUENCE YLDDAQRRHE GRWLHRPAMA WELAAQRHDA STLAGTVYTR LRALIRLRAG DATA SEQUENCE LPALAATQSL GSVALGDARL FALTRGDSFL AVHNFSDVPL PVDLTQTGHA DATA SEQUENCE LWAVLDTDGT GDAPEPHTEL LLPAYGVRWL QRR 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.616 174.600 0.026 0.000 1.055 5 S CA 0.000 58.220 58.200 0.034 0.000 1.107 5 S CB 0.000 63.227 63.200 0.045 0.000 0.593 6 P HA 0.096 nan 4.420 nan 0.000 0.225 6 P C 0.894 178.196 177.300 0.003 0.000 1.148 6 P CA 0.714 63.818 63.100 0.007 0.000 0.779 6 P CB -0.194 31.508 31.700 0.003 0.000 0.780 7 I N -5.049 115.533 120.570 0.019 0.000 3.856 7 I HA 0.311 4.482 4.170 0.001 0.000 0.333 7 I C -0.749 175.400 176.117 0.054 0.000 1.525 7 I CA -0.641 60.674 61.300 0.025 0.000 1.173 7 I CB -0.232 37.778 38.000 0.018 0.000 1.175 7 I HN -0.340 nan 8.210 nan 0.000 0.424 8 D N 2.489 122.916 120.400 0.045 0.000 2.449 8 D HA 0.087 4.728 4.640 0.001 0.000 0.236 8 D C 1.516 177.852 176.300 0.061 0.000 1.149 8 D CA 0.692 54.722 54.000 0.050 0.000 0.878 8 D CB 1.649 42.472 40.800 0.037 0.000 1.198 8 D HN 0.367 nan 8.370 nan 0.000 0.446 9 A N 2.528 125.390 122.820 0.071 0.000 1.927 9 A HA -0.234 4.087 4.320 0.001 0.000 0.220 9 A C 2.062 179.706 177.584 0.099 0.000 1.185 9 A CA 2.587 54.680 52.037 0.093 0.000 0.639 9 A CB -0.700 18.347 19.000 0.079 0.000 0.820 9 A HN 0.636 nan 8.150 nan 0.000 0.451 10 A N -0.598 122.260 122.820 0.063 0.000 1.898 10 A HA 0.234 4.554 4.320 0.001 0.000 0.216 10 A C 2.465 180.061 177.584 0.020 0.000 1.181 10 A CA 1.928 53.991 52.037 0.044 0.000 0.620 10 A CB -0.906 18.110 19.000 0.027 0.000 0.819 10 A HN 1.141 nan 8.150 nan 0.000 0.442 11 A N -0.464 122.366 122.820 0.018 0.000 2.014 11 A HA 0.108 4.429 4.320 0.001 0.000 0.218 11 A C 2.087 179.661 177.584 -0.016 0.000 1.163 11 A CA 1.154 53.187 52.037 -0.005 0.000 0.652 11 A CB -0.455 18.545 19.000 -0.001 0.000 0.808 11 A HN 0.468 nan 8.150 nan 0.000 0.449 12 L N -1.288 119.950 121.223 0.025 0.000 2.072 12 L HA -0.095 4.246 4.340 0.001 0.000 0.205 12 L C 2.751 179.606 176.870 -0.025 0.000 1.079 12 L CA 1.438 56.306 54.840 0.046 0.000 0.752 12 L CB -0.499 41.651 42.059 0.151 0.000 0.906 12 L HN 0.425 nan 8.230 nan 0.000 0.436 13 R N 0.592 121.078 120.500 -0.023 0.000 2.096 13 R HA -0.176 4.165 4.340 0.001 0.000 0.235 13 R C 2.303 178.404 176.300 -0.331 0.000 1.127 13 R CA 1.452 57.340 56.100 -0.352 0.000 0.968 13 R CB -0.198 30.043 30.300 -0.098 0.000 0.861 13 R HN 0.337 nan 8.270 nan 0.000 0.440 14 A N 0.123 122.844 122.820 -0.165 0.000 1.972 14 A HA -0.132 4.189 4.320 0.001 0.000 0.219 14 A C 2.151 179.642 177.584 -0.155 0.000 1.169 14 A CA 1.844 53.798 52.037 -0.138 0.000 0.635 14 A CB -0.403 18.549 19.000 -0.080 0.000 0.810 14 A HN 0.426 nan 8.150 nan 0.000 0.446 15 S N -0.424 115.181 115.700 -0.159 0.000 2.368 15 S HA -0.131 4.340 4.470 0.001 0.000 0.225 15 S C 1.862 176.337 174.600 -0.208 0.000 1.030 15 S CA 1.509 59.612 58.200 -0.161 0.000 0.999 15 S CB -0.437 62.673 63.200 -0.149 0.000 0.844 15 S HN 0.369 nan 8.310 nan 0.000 0.459 16 V N 1.881 121.619 119.914 -0.293 0.000 2.323 16 V HA -0.093 4.028 4.120 0.001 0.000 0.244 16 V C 2.666 178.605 176.094 -0.258 0.000 1.041 16 V CA 1.525 63.631 62.300 -0.323 0.000 1.025 16 V CB -1.207 30.309 31.823 -0.512 0.000 0.656 16 V HN 0.528 nan 8.190 nan 0.000 0.451 17 A N 0.219 122.878 122.820 -0.267 0.000 1.978 17 A HA -0.118 4.203 4.320 0.001 0.000 0.220 17 A C 2.357 179.863 177.584 -0.130 0.000 1.170 17 A CA 1.893 53.820 52.037 -0.183 0.000 0.636 17 A CB -0.713 18.187 19.000 -0.166 0.000 0.810 17 A HN 0.587 nan 8.150 nan 0.000 0.448 18 A N -0.707 122.036 122.820 -0.128 0.000 2.125 18 A HA 0.222 4.542 4.320 0.001 0.000 0.219 18 A C 2.140 179.673 177.584 -0.086 0.000 1.156 18 A CA 1.800 53.780 52.037 -0.095 0.000 0.671 18 A CB -0.518 18.428 19.000 -0.090 0.000 0.794 18 A HN 1.064 nan 8.150 nan 0.000 0.459 19 A N -1.256 121.504 122.820 -0.101 0.000 2.252 19 A HA 0.535 4.856 4.320 0.001 0.000 0.213 19 A C 0.677 178.218 177.584 -0.071 0.000 1.188 19 A CA -0.183 51.803 52.037 -0.085 0.000 0.863 19 A CB 0.002 18.942 19.000 -0.101 0.000 0.893 19 A HN 0.368 nan 8.150 nan 0.000 0.495 20 L N 0.548 121.725 121.223 -0.077 0.000 2.343 20 L HA 0.318 4.659 4.340 0.001 0.000 0.275 20 L C -0.449 176.393 176.870 -0.047 0.000 1.056 20 L CA -0.905 53.899 54.840 -0.061 0.000 0.804 20 L CB 1.200 43.218 42.059 -0.069 0.000 1.203 20 L HN 0.118 nan 8.230 nan 0.000 0.440 21 D N 4.000 124.379 120.400 -0.034 0.000 2.338 21 D HA 0.126 4.767 4.640 0.001 0.000 0.255 21 D C -2.293 173.992 176.300 -0.024 0.000 1.237 21 D CA -1.715 52.270 54.000 -0.026 0.000 0.883 21 D CB 0.998 41.787 40.800 -0.018 0.000 1.087 21 D HN 0.085 nan 8.370 nan 0.000 0.485 22 P HA 0.104 nan 4.420 nan 0.000 0.266 22 P C -0.378 176.913 177.300 -0.015 0.000 1.419 22 P CA 0.239 63.326 63.100 -0.022 0.000 1.112 22 P CB 0.106 31.792 31.700 -0.023 0.000 1.438 23 S N 0.184 115.878 115.700 -0.011 0.000 3.395 23 S HA -0.064 4.407 4.470 0.001 0.000 0.110 23 S C 0.795 175.394 174.600 -0.003 0.000 0.765 23 S CA 0.260 58.456 58.200 -0.006 0.000 1.525 23 S CB -1.206 61.990 63.200 -0.006 0.000 0.923 23 S HN 0.347 nan 8.310 nan 0.000 0.657 24 T N -1.277 113.275 114.554 -0.004 0.000 3.262 24 T HA 0.756 5.107 4.350 0.001 0.000 0.300 24 T C 0.931 175.631 174.700 -0.000 0.000 0.959 24 T CA 0.503 62.604 62.100 0.001 0.000 0.936 24 T CB 0.737 69.605 68.868 0.001 0.000 1.169 24 T HN 0.855 nan 8.240 nan 0.000 0.532 25 A N 0.674 123.491 122.820 -0.006 0.000 2.343 25 A HA 0.612 4.933 4.320 0.001 0.000 0.223 25 A C 1.942 179.525 177.584 -0.001 0.000 1.214 25 A CA 0.240 52.270 52.037 -0.011 0.000 0.900 25 A CB -0.240 18.743 19.000 -0.029 0.000 0.942 25 A HN 0.306 nan 8.150 nan 0.000 0.507 26 V N 0.402 120.319 119.914 0.005 0.000 2.255 26 V HA -0.316 3.805 4.120 0.001 0.000 0.247 26 V C 3.055 179.166 176.094 0.027 0.000 1.051 26 V CA 2.304 64.612 62.300 0.013 0.000 1.018 26 V CB -1.179 30.652 31.823 0.012 0.000 0.641 26 V HN 0.577 nan 8.190 nan 0.000 0.445 27 A N -0.487 122.352 122.820 0.030 0.000 1.902 27 A HA -0.213 4.108 4.320 0.001 0.000 0.217 27 A C 2.395 180.017 177.584 0.063 0.000 1.181 27 A CA 2.482 54.546 52.037 0.044 0.000 0.623 27 A CB -0.961 18.062 19.000 0.039 0.000 0.818 27 A HN 0.512 nan 8.150 nan 0.000 0.443 28 T N 0.447 115.034 114.554 0.055 0.000 2.777 28 T HA -0.044 4.307 4.350 0.001 0.000 0.266 28 T C 1.793 176.556 174.700 0.106 0.000 1.040 28 T CA 1.400 63.545 62.100 0.075 0.000 1.141 28 T CB -0.346 68.546 68.868 0.040 0.000 0.868 28 T HN 0.357 nan 8.240 nan 0.000 0.444 29 L N 0.705 121.966 121.223 0.063 0.000 2.141 29 L HA -0.025 4.316 4.340 0.001 0.000 0.209 29 L C 3.022 179.979 176.870 0.145 0.000 1.094 29 L CA 0.932 55.818 54.840 0.076 0.000 0.763 29 L CB -0.662 41.395 42.059 -0.004 0.000 0.908 29 L HN 0.242 nan 8.230 nan 0.000 0.437 30 A N 0.355 123.235 122.820 0.101 0.000 1.902 30 A HA -0.198 4.123 4.320 0.001 0.000 0.217 30 A C 2.396 180.041 177.584 0.101 0.000 1.181 30 A CA 1.430 53.519 52.037 0.087 0.000 0.623 30 A CB -0.416 18.619 19.000 0.059 0.000 0.818 30 A HN 0.323 nan 8.150 nan 0.000 0.443 31 R N -2.102 118.483 120.500 0.142 0.000 2.115 31 R HA -0.046 4.295 4.340 0.001 0.000 0.230 31 R C 1.998 178.428 176.300 0.217 0.000 1.111 31 R CA 1.316 57.532 56.100 0.193 0.000 0.976 31 R CB -0.460 29.986 30.300 0.244 0.000 0.870 31 R HN 0.617 nan 8.270 nan 0.000 0.445 32 F N 2.518 122.518 119.950 0.084 0.000 2.102 32 F HA -0.234 4.294 4.527 0.001 0.000 0.298 32 F C 1.687 177.509 175.800 0.036 0.000 1.105 32 F CA 1.709 59.750 58.000 0.069 0.000 1.239 32 F CB -0.083 38.935 39.000 0.031 0.000 0.991 32 F HN -0.071 nan 8.300 nan 0.000 0.474 33 D N -0.301 120.225 120.400 0.209 0.000 2.123 33 D HA -0.167 4.474 4.640 0.001 0.000 0.196 33 D C 2.285 178.526 176.300 -0.098 0.000 0.992 33 D CA 1.996 56.037 54.000 0.068 0.000 0.833 33 D CB -0.759 40.100 40.800 0.098 0.000 0.954 33 D HN 0.319 nan 8.370 nan 0.000 0.455 34 T N 0.065 114.532 114.554 -0.145 0.000 2.674 34 T HA -0.120 4.231 4.350 0.001 0.000 0.265 34 T C 1.555 176.006 174.700 -0.414 0.000 1.039 34 T CA 1.069 62.973 62.100 -0.327 0.000 1.150 34 T CB -0.115 68.445 68.868 -0.513 0.000 0.864 34 T HN 0.323 nan 8.240 nan 0.000 0.427 35 H N -0.256 118.743 119.070 -0.119 0.000 2.654 35 H HA 0.491 5.048 4.556 0.001 0.000 0.264 35 H C 2.422 177.622 175.328 -0.213 0.000 0.954 35 H CA 0.527 56.494 56.048 -0.135 0.000 1.199 35 H CB -0.156 29.573 29.762 -0.054 0.000 1.446 35 H HN 0.352 nan 8.280 nan 0.000 0.516 36 A N 2.203 124.828 122.820 -0.325 0.000 1.933 36 A HA -0.062 4.259 4.320 0.001 0.000 0.218 36 A C -0.227 177.220 177.584 -0.229 0.000 1.175 36 A CA 0.966 52.710 52.037 -0.489 0.000 0.628 36 A CB -1.131 17.060 19.000 -1.350 0.000 0.814 36 A HN 0.261 nan 8.150 nan 0.000 0.444 37 P HA -0.181 nan 4.420 nan 0.000 0.215 37 P C 1.737 179.000 177.300 -0.062 0.000 1.153 37 P CA 1.512 64.557 63.100 -0.092 0.000 0.853 37 P CB -0.110 31.538 31.700 -0.086 0.000 0.788 38 R N -0.600 119.858 120.500 -0.070 0.000 2.066 38 R HA -0.126 4.215 4.340 0.001 0.000 0.232 38 R C 2.191 178.480 176.300 -0.017 0.000 1.131 38 R CA 1.146 57.213 56.100 -0.055 0.000 0.955 38 R CB -1.091 29.159 30.300 -0.084 0.000 0.851 38 R HN 0.055 nan 8.270 nan 0.000 0.432 39 L N 1.159 122.387 121.223 0.008 0.000 1.989 39 L HA -0.170 4.171 4.340 0.001 0.000 0.211 39 L C 1.925 178.839 176.870 0.073 0.000 1.071 39 L CA 1.799 56.680 54.840 0.068 0.000 0.749 39 L CB -0.518 41.610 42.059 0.116 0.000 0.890 39 L HN 0.236 nan 8.230 nan 0.000 0.431 40 L N -0.546 120.714 121.223 0.062 0.000 2.141 40 L HA -0.182 4.159 4.340 0.001 0.000 0.209 40 L C 2.284 179.202 176.870 0.079 0.000 1.094 40 L CA 1.488 56.392 54.840 0.108 0.000 0.763 40 L CB -0.798 41.318 42.059 0.095 0.000 0.908 40 L HN 0.423 nan 8.230 nan 0.000 0.437 41 D N 0.248 120.661 120.400 0.022 0.000 2.117 41 D HA -0.191 4.450 4.640 0.001 0.000 0.197 41 D C 2.191 178.465 176.300 -0.043 0.000 0.987 41 D CA 1.357 55.352 54.000 -0.009 0.000 0.829 41 D CB 0.166 40.949 40.800 -0.028 0.000 0.961 41 D HN 0.239 nan 8.370 nan 0.000 0.460 42 A N 0.142 122.932 122.820 -0.051 0.000 1.902 42 A HA -0.073 4.248 4.320 0.001 0.000 0.217 42 A C 2.399 179.887 177.584 -0.160 0.000 1.181 42 A CA 1.085 53.055 52.037 -0.111 0.000 0.623 42 A CB -0.858 18.089 19.000 -0.089 0.000 0.818 42 A HN 0.376 nan 8.150 nan 0.000 0.443 43 L N -0.777 120.408 121.223 -0.064 0.000 2.093 43 L HA -0.144 4.197 4.340 0.001 0.000 0.208 43 L C 2.903 179.795 176.870 0.037 0.000 1.085 43 L CA 1.452 56.310 54.840 0.030 0.000 0.755 43 L CB -0.486 41.728 42.059 0.258 0.000 0.904 43 L HN 0.505 nan 8.230 nan 0.000 0.435 44 S N -0.683 115.033 115.700 0.027 0.000 2.368 44 S HA -0.189 4.282 4.470 0.001 0.000 0.225 44 S C 2.006 176.466 174.600 -0.233 0.000 1.030 44 S CA 2.027 60.152 58.200 -0.125 0.000 0.999 44 S CB -0.176 63.015 63.200 -0.016 0.000 0.844 44 S HN 0.414 nan 8.310 nan 0.000 0.459 45 T N 2.608 117.038 114.554 -0.207 0.000 2.720 45 T HA -0.006 4.345 4.350 0.001 0.000 0.268 45 T C 1.721 176.210 174.700 -0.352 0.000 1.037 45 T CA 1.541 63.493 62.100 -0.246 0.000 1.144 45 T CB -0.356 68.372 68.868 -0.234 0.000 0.864 45 T HN 0.312 nan 8.240 nan 0.000 0.444 46 L N -1.087 119.830 121.223 -0.510 0.000 2.044 46 L HA -0.005 4.336 4.340 0.001 0.000 0.205 46 L C 1.647 178.106 176.870 -0.685 0.000 1.075 46 L CA 1.329 55.676 54.840 -0.822 0.000 0.747 46 L CB -0.172 41.039 42.059 -1.414 0.000 0.903 46 L HN 0.313 nan 8.230 nan 0.000 0.435 47 Y N -1.894 118.275 120.300 -0.219 0.000 2.563 47 Y HA 0.297 4.848 4.550 0.001 0.000 0.250 47 Y C 2.073 177.640 175.900 -0.555 0.000 1.126 47 Y CA -0.205 57.749 58.100 -0.243 0.000 1.231 47 Y CB -0.598 37.745 38.460 -0.195 0.000 1.288 47 Y HN -0.054 nan 8.280 nan 0.000 0.537 48 G N 0.425 108.845 108.800 -0.634 0.000 2.475 48 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 48 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 48 G C 1.147 175.815 174.900 -0.386 0.000 1.125 48 G CA 1.635 46.211 45.100 -0.873 0.000 0.755 48 G HN 0.273 nan 8.290 nan 0.000 0.565 49 D N -1.044 119.266 120.400 -0.150 0.000 2.369 49 D HA 0.063 4.704 4.640 0.001 0.000 0.211 49 D C 0.487 176.820 176.300 0.055 0.000 1.077 49 D CA -0.316 53.671 54.000 -0.020 0.000 0.842 49 D CB 0.000 40.790 40.800 -0.017 0.000 0.947 49 D HN 0.324 nan 8.370 nan 0.000 0.509 50 H N 1.026 120.104 119.070 0.014 0.000 2.871 50 H HA 0.120 4.677 4.556 0.001 0.000 0.355 50 H C 1.123 176.502 175.328 0.086 0.000 1.092 50 H CA 0.367 56.449 56.048 0.057 0.000 1.420 50 H CB 1.422 31.225 29.762 0.068 0.000 1.400 50 H HN -0.027 nan 8.280 nan 0.000 0.604 51 A N 4.026 126.690 122.820 -0.259 0.000 2.024 51 A HA -0.172 4.149 4.320 0.001 0.000 0.220 51 A C 1.515 179.184 177.584 0.141 0.000 1.164 51 A CA 1.769 53.770 52.037 -0.060 0.000 0.643 51 A CB -0.000 18.906 19.000 -0.156 0.000 0.806 51 A HN 0.750 nan 8.150 nan 0.000 0.451 52 D N -2.625 117.996 120.400 0.368 0.000 2.349 52 D HA 0.081 4.722 4.640 0.001 0.000 0.214 52 D C 1.117 177.618 176.300 0.335 0.000 1.063 52 D CA -0.015 54.170 54.000 0.309 0.000 0.847 52 D CB -0.176 40.775 40.800 0.251 0.000 0.933 52 D HN 0.537 nan 8.370 nan 0.000 0.513 53 Y N 1.811 122.258 120.300 0.244 0.000 2.097 53 Y HA -0.278 4.273 4.550 0.001 0.000 0.282 53 Y C 2.109 178.189 175.900 0.300 0.000 1.152 53 Y CA 1.440 59.700 58.100 0.267 0.000 1.136 53 Y CB -0.388 38.208 38.460 0.226 0.000 0.975 53 Y HN -0.182 nan 8.280 nan 0.000 0.498 54 V N -0.096 119.946 119.914 0.213 0.000 2.407 54 V HA -0.306 3.814 4.120 0.001 0.000 0.248 54 V C 2.410 178.530 176.094 0.044 0.000 1.055 54 V CA 2.436 64.779 62.300 0.072 0.000 1.049 54 V CB -1.441 30.460 31.823 0.132 0.000 0.662 54 V HN 0.697 nan 8.190 nan 0.000 0.455 55 T N -3.503 111.114 114.554 0.106 0.000 3.023 55 T HA -0.189 4.162 4.350 0.001 0.000 0.266 55 T C 1.479 176.245 174.700 0.110 0.000 1.093 55 T CA 0.954 63.108 62.100 0.090 0.000 1.129 55 T CB -0.388 68.541 68.868 0.101 0.000 0.899 55 T HN 0.659 nan 8.240 nan 0.000 0.491 56 W N 1.194 122.464 121.300 -0.050 0.000 2.481 56 W HA 0.303 4.964 4.660 0.001 0.000 0.293 56 W C 1.721 178.227 176.519 -0.023 0.000 1.201 56 W CA -0.059 57.255 57.345 -0.053 0.000 1.328 56 W CB -0.457 28.936 29.460 -0.113 0.000 1.112 56 W HN 0.173 nan 8.180 nan 0.000 0.546 57 L N 2.090 123.118 121.223 -0.324 0.000 2.017 57 L HA 0.008 4.349 4.340 0.001 0.000 0.208 57 L C -0.733 175.898 176.870 -0.398 0.000 1.073 57 L CA 2.222 56.674 54.840 -0.647 0.000 0.745 57 L CB -1.851 39.946 42.059 -0.436 0.000 0.894 57 L HN -0.177 nan 8.230 nan 0.000 0.432 58 P HA -0.181 nan 4.420 nan 0.000 0.215 58 P C 1.343 178.537 177.300 -0.176 0.000 1.157 58 P CA 1.588 64.593 63.100 -0.159 0.000 0.863 58 P CB -0.135 31.506 31.700 -0.099 0.000 0.787 59 Q N -1.517 118.184 119.800 -0.164 0.000 2.167 59 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 59 Q C 1.980 177.888 176.000 -0.154 0.000 0.970 59 Q CA 1.223 56.951 55.803 -0.126 0.000 0.855 59 Q CB -1.697 27.005 28.738 -0.059 0.000 0.911 59 Q HN 0.276 nan 8.270 nan 0.000 0.438 60 W N 1.126 122.147 121.300 -0.466 0.000 2.381 60 W HA 0.042 4.702 4.660 0.001 0.000 0.301 60 W C 1.315 177.671 176.519 -0.271 0.000 1.205 60 W CA 1.134 58.209 57.345 -0.450 0.000 1.285 60 W CB -0.127 28.778 29.460 -0.925 0.000 1.133 60 W HN 0.164 nan 8.180 nan 0.000 0.521 61 L N 0.273 121.184 121.223 -0.521 0.000 2.131 61 L HA -0.227 4.114 4.340 0.001 0.000 0.210 61 L C 2.609 179.214 176.870 -0.441 0.000 1.092 61 L CA 1.562 56.049 54.840 -0.588 0.000 0.759 61 L CB -0.983 40.917 42.059 -0.266 0.000 0.903 61 L HN -0.118 nan 8.230 nan 0.000 0.435 62 S N -0.113 115.403 115.700 -0.308 0.000 2.368 62 S HA -0.151 4.320 4.470 0.001 0.000 0.225 62 S C 2.189 176.655 174.600 -0.224 0.000 1.030 62 S CA 1.190 59.256 58.200 -0.224 0.000 0.999 62 S CB -0.239 62.870 63.200 -0.151 0.000 0.844 62 S HN 0.506 nan 8.310 nan 0.000 0.459 63 A N 1.257 123.927 122.820 -0.251 0.000 1.969 63 A HA 0.016 4.337 4.320 0.001 0.000 0.218 63 A C 2.112 179.549 177.584 -0.245 0.000 1.169 63 A CA 1.145 53.070 52.037 -0.186 0.000 0.635 63 A CB -0.644 18.296 19.000 -0.099 0.000 0.810 63 A HN 0.481 nan 8.150 nan 0.000 0.445 64 L N -0.426 120.518 121.223 -0.464 0.000 2.017 64 L HA -0.062 4.279 4.340 0.001 0.000 0.208 64 L C 2.433 179.163 176.870 -0.233 0.000 1.073 64 L CA 1.853 56.446 54.840 -0.413 0.000 0.745 64 L CB -0.623 41.010 42.059 -0.709 0.000 0.894 64 L HN 0.349 nan 8.230 nan 0.000 0.432 65 G N -0.820 107.837 108.800 -0.237 0.000 2.442 65 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 65 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 65 G C 1.491 176.325 174.900 -0.110 0.000 1.141 65 G CA 0.979 45.983 45.100 -0.161 0.000 0.763 65 G HN 0.321 nan 8.290 nan 0.000 0.554 66 V N 0.543 120.392 119.914 -0.108 0.000 2.343 66 V HA -0.167 3.953 4.120 0.001 0.000 0.247 66 V C 3.026 179.094 176.094 -0.043 0.000 1.051 66 V CA 1.549 63.810 62.300 -0.065 0.000 1.036 66 V CB -0.294 31.497 31.823 -0.053 0.000 0.654 66 V HN 0.263 nan 8.190 nan 0.000 0.451 67 V N 0.223 120.109 119.914 -0.047 0.000 2.515 67 V HA -0.177 3.944 4.120 0.001 0.000 0.250 67 V C 2.628 178.714 176.094 -0.014 0.000 1.058 67 V CA 1.665 63.954 62.300 -0.019 0.000 1.064 67 V CB -1.046 30.772 31.823 -0.009 0.000 0.675 67 V HN 0.545 nan 8.190 nan 0.000 0.461 68 A N -0.092 122.710 122.820 -0.030 0.000 1.898 68 A HA -0.268 4.052 4.320 0.001 0.000 0.216 68 A C 2.199 179.777 177.584 -0.010 0.000 1.181 68 A CA 1.965 53.994 52.037 -0.014 0.000 0.620 68 A CB -0.511 18.476 19.000 -0.022 0.000 0.819 68 A HN 0.514 nan 8.150 nan 0.000 0.442 69 Q N 0.162 119.949 119.800 -0.022 0.000 2.135 69 Q HA -0.040 4.301 4.340 0.001 0.000 0.204 69 Q C 1.797 177.793 176.000 -0.006 0.000 0.981 69 Q CA 2.069 57.862 55.803 -0.017 0.000 0.856 69 Q CB -0.597 28.125 28.738 -0.027 0.000 0.902 69 Q HN 0.552 nan 8.270 nan 0.000 0.425 70 A N -0.140 122.678 122.820 -0.002 0.000 2.206 70 A HA 0.033 4.354 4.320 0.001 0.000 0.211 70 A C 0.962 178.554 177.584 0.014 0.000 1.158 70 A CA 0.070 52.111 52.037 0.006 0.000 0.761 70 A CB -0.450 18.555 19.000 0.009 0.000 0.801 70 A HN 0.282 nan 8.150 nan 0.000 0.473 71 R N 1.183 121.692 120.500 0.016 0.000 2.480 71 R HA 0.148 4.489 4.340 0.001 0.000 0.303 71 R C -2.636 173.677 176.300 0.022 0.000 0.985 71 R CA -1.238 54.877 56.100 0.024 0.000 1.051 71 R CB 0.071 30.388 30.300 0.028 0.000 0.935 71 R HN 0.100 nan 8.270 nan 0.000 0.410 72 P HA -0.040 nan 4.420 nan 0.000 0.267 72 P C -0.228 177.086 177.300 0.023 0.000 1.200 72 P CA 0.246 63.358 63.100 0.019 0.000 0.772 72 P CB 0.888 32.599 31.700 0.018 0.000 0.855 73 A N 3.363 126.194 122.820 0.018 0.000 1.917 73 A HA -0.233 4.088 4.320 0.001 0.000 0.219 73 A C 2.124 179.732 177.584 0.040 0.000 1.182 73 A CA 2.371 54.423 52.037 0.025 0.000 0.633 73 A CB -1.697 17.309 19.000 0.010 0.000 0.819 73 A HN 0.565 nan 8.150 nan 0.000 0.448 74 A N -0.703 122.132 122.820 0.025 0.000 1.972 74 A HA 0.023 4.344 4.320 0.001 0.000 0.219 74 A C 2.134 179.758 177.584 0.065 0.000 1.169 74 A CA 1.496 53.552 52.037 0.032 0.000 0.635 74 A CB -0.459 18.544 19.000 0.004 0.000 0.810 74 A HN 0.491 nan 8.150 nan 0.000 0.446 75 L N -1.509 119.739 121.223 0.043 0.000 2.162 75 L HA -0.040 4.301 4.340 0.001 0.000 0.205 75 L C 2.715 179.603 176.870 0.031 0.000 1.086 75 L CA 0.592 55.450 54.840 0.031 0.000 0.778 75 L CB -0.438 41.637 42.059 0.027 0.000 0.928 75 L HN 0.293 nan 8.230 nan 0.000 0.446 76 R N -0.678 119.848 120.500 0.043 0.000 2.103 76 R HA -0.241 4.100 4.340 0.001 0.000 0.242 76 R C 2.309 178.634 176.300 0.041 0.000 1.142 76 R CA 1.676 57.800 56.100 0.040 0.000 0.960 76 R CB -0.793 29.533 30.300 0.044 0.000 0.858 76 R HN 0.492 nan 8.270 nan 0.000 0.439 77 H N 1.231 120.288 119.070 -0.021 0.000 2.353 77 H HA -0.081 4.475 4.556 0.001 0.000 0.300 77 H C 2.064 177.362 175.328 -0.049 0.000 1.090 77 H CA 1.496 57.526 56.048 -0.029 0.000 1.327 77 H CB 0.018 29.762 29.762 -0.031 0.000 1.383 77 H HN 0.152 nan 8.280 nan 0.000 0.508 78 L N 0.576 121.720 121.223 -0.131 0.000 2.046 78 L HA -0.197 4.144 4.340 0.001 0.000 0.208 78 L C 2.423 179.162 176.870 -0.219 0.000 1.077 78 L CA 1.383 56.082 54.840 -0.234 0.000 0.747 78 L CB -0.515 41.445 42.059 -0.165 0.000 0.896 78 L HN 0.243 nan 8.230 nan 0.000 0.432 79 D N 0.223 120.555 120.400 -0.113 0.000 2.133 79 D HA -0.208 4.432 4.640 0.001 0.000 0.195 79 D C 1.736 177.994 176.300 -0.070 0.000 0.997 79 D CA 1.448 55.414 54.000 -0.057 0.000 0.840 79 D CB -0.244 40.555 40.800 -0.002 0.000 0.947 79 D HN 0.339 nan 8.370 nan 0.000 0.452 80 D N -0.841 119.493 120.400 -0.111 0.000 2.234 80 D HA -0.038 4.602 4.640 0.001 0.000 0.205 80 D C 2.056 178.271 176.300 -0.141 0.000 0.962 80 D CA 0.955 54.898 54.000 -0.095 0.000 0.855 80 D CB 0.045 40.800 40.800 -0.075 0.000 0.951 80 D HN 0.269 nan 8.370 nan 0.000 0.500 81 S N -0.865 114.678 115.700 -0.261 0.000 2.514 81 S HA 0.136 4.607 4.470 0.001 0.000 0.223 81 S C 1.069 175.558 174.600 -0.184 0.000 1.046 81 S CA -0.412 57.634 58.200 -0.257 0.000 0.914 81 S CB 0.564 63.489 63.200 -0.460 0.000 0.807 81 S HN -0.073 nan 8.310 nan 0.000 0.497 82 R N 2.251 122.618 120.500 -0.222 0.000 2.449 82 R HA 0.497 4.837 4.340 0.001 0.000 0.296 82 R C 0.049 176.329 176.300 -0.032 0.000 1.047 82 R CA 0.340 56.309 56.100 -0.218 0.000 1.018 82 R CB 0.530 30.530 30.300 -0.500 0.000 0.962 82 R HN 0.503 nan 8.270 nan 0.000 0.428 83 A N 6.108 128.960 122.820 0.055 0.000 2.340 83 A HA 0.383 4.703 4.320 0.001 0.000 0.268 83 A C -2.051 175.672 177.584 0.231 0.000 1.100 83 A CA -1.586 50.519 52.037 0.112 0.000 0.803 83 A CB 0.152 19.196 19.000 0.073 0.000 1.043 83 A HN 0.413 nan 8.150 nan 0.000 0.488 84 P HA 0.206 nan 4.420 nan 0.000 0.263 84 P C 0.966 178.294 177.300 0.048 0.000 1.175 84 P CA 2.035 65.253 63.100 0.197 0.000 0.761 84 P CB 0.468 32.250 31.700 0.136 0.000 0.794 85 G N 2.825 111.547 108.800 -0.130 0.000 2.159 85 G HA2 -0.225 3.736 3.960 0.001 0.000 0.256 85 G HA3 -0.225 3.736 3.960 0.001 0.000 0.256 85 G C 0.953 175.401 174.900 -0.754 0.000 0.977 85 G CA 0.223 44.917 45.100 -0.676 0.000 0.652 85 G HN 0.685 nan 8.290 nan 0.000 0.531 86 W N 0.992 122.079 121.300 -0.356 0.000 2.350 86 W HA -0.040 4.621 4.660 0.002 0.000 0.289 86 W C 1.816 178.225 176.519 -0.183 0.000 1.215 86 W CA 1.452 58.689 57.345 -0.179 0.000 1.236 86 W CB -1.443 28.011 29.460 -0.010 0.000 1.130 86 W HN 0.681 nan 8.180 nan 0.000 0.541 87 F N 0.907 120.234 119.950 -1.040 0.000 2.748 87 F HA 0.484 5.012 4.527 0.001 0.000 0.299 87 F C 2.003 177.529 175.800 -0.457 0.000 1.154 87 F CA 0.684 58.077 58.000 -1.012 0.000 1.446 87 F CB -1.263 36.898 39.000 -1.398 0.000 1.112 87 F HN -0.138 nan 8.300 nan 0.000 0.584 88 G N -0.165 108.191 108.800 -0.741 0.000 3.126 88 G HA2 0.074 4.034 3.960 0.001 0.000 0.224 88 G HA3 0.074 4.034 3.960 0.001 0.000 0.224 88 G C 0.504 175.257 174.900 -0.246 0.000 1.142 88 G CA -0.279 44.571 45.100 -0.417 0.000 0.759 88 G HN 0.115 nan 8.290 nan 0.000 0.550 89 Q N 0.765 120.451 119.800 -0.190 0.000 2.432 89 Q HA 0.010 4.350 4.340 0.001 0.000 0.264 89 Q C 1.608 177.571 176.000 -0.062 0.000 1.035 89 Q CA -0.117 55.629 55.803 -0.095 0.000 0.908 89 Q CB 0.818 29.540 28.738 -0.027 0.000 1.280 89 Q HN 0.548 nan 8.270 nan 0.000 0.455 90 Q N 1.403 121.168 119.800 -0.058 0.000 2.291 90 Q HA -0.172 4.168 4.340 0.001 0.000 0.205 90 Q C 0.380 176.374 176.000 -0.010 0.000 0.970 90 Q CA 1.668 57.438 55.803 -0.054 0.000 0.876 90 Q CB -0.039 28.651 28.738 -0.080 0.000 0.935 90 Q HN 0.639 nan 8.270 nan 0.000 0.455 91 D N -0.141 120.266 120.400 0.013 0.000 2.349 91 D HA 0.006 4.647 4.640 0.001 0.000 0.224 91 D C 0.241 176.581 176.300 0.067 0.000 1.029 91 D CA -0.025 54.001 54.000 0.042 0.000 0.879 91 D CB -0.079 40.751 40.800 0.049 0.000 0.906 91 D HN 0.084 nan 8.370 nan 0.000 0.528 92 M N 1.033 120.666 119.600 0.055 0.000 2.188 92 M HA 0.326 4.807 4.480 0.001 0.000 0.354 92 M C -0.422 175.922 176.300 0.073 0.000 1.342 92 M CA -0.587 54.759 55.300 0.076 0.000 1.117 92 M CB 1.054 33.673 32.600 0.030 0.000 1.670 92 M HN 0.059 nan 8.290 nan 0.000 0.466 93 L N 2.757 124.049 121.223 0.115 0.000 2.431 93 L HA 0.902 5.243 4.340 0.001 0.000 0.266 93 L C -0.470 176.519 176.870 0.198 0.000 0.978 93 L CA -0.056 54.863 54.840 0.132 0.000 0.822 93 L CB 2.290 44.421 42.059 0.120 0.000 1.310 93 L HN 0.713 nan 8.230 nan 0.000 0.409 94 G N 2.002 110.935 108.800 0.221 0.000 2.489 94 G HA2 0.584 4.545 3.960 0.001 0.000 0.327 94 G HA3 0.584 4.545 3.960 0.001 0.000 0.327 94 G C -2.282 172.856 174.900 0.397 0.000 1.189 94 G CA -0.415 44.889 45.100 0.341 0.000 0.962 94 G HN 0.618 nan 8.290 nan 0.000 0.486 95 Y N -0.074 120.372 120.300 0.243 0.000 2.441 95 Y HA 0.589 5.140 4.550 0.001 0.000 0.334 95 Y C -0.477 175.521 175.900 0.163 0.000 1.061 95 Y CA -0.862 57.337 58.100 0.166 0.000 1.032 95 Y CB 2.441 40.946 38.460 0.075 0.000 1.266 95 Y HN 0.667 nan 8.280 nan 0.000 0.441 96 S N 4.203 119.864 115.700 -0.066 0.000 2.502 96 S HA 0.963 5.434 4.470 0.001 0.000 0.304 96 S C -1.355 173.121 174.600 -0.206 0.000 1.097 96 S CA 0.159 58.363 58.200 0.006 0.000 1.045 96 S CB 0.782 64.135 63.200 0.255 0.000 1.019 96 S HN 1.132 nan 8.310 nan 0.000 0.481 97 A N 3.434 126.107 122.820 -0.246 0.000 2.604 97 A HA 0.666 4.987 4.320 0.001 0.000 0.295 97 A C -1.969 175.485 177.584 -0.217 0.000 1.067 97 A CA -0.686 51.227 52.037 -0.207 0.000 0.683 97 A CB 0.595 19.492 19.000 -0.173 0.000 1.281 97 A HN 0.756 nan 8.150 nan 0.000 0.407 98 Y N 0.874 121.181 120.300 0.012 0.000 2.411 98 Y HA 0.253 4.803 4.550 0.001 0.000 0.333 98 Y C 1.831 177.805 175.900 0.124 0.000 1.186 98 Y CA 0.557 58.691 58.100 0.057 0.000 1.381 98 Y CB 0.889 39.413 38.460 0.106 0.000 1.273 98 Y HN 0.376 nan 8.280 nan 0.000 0.546 99 V N 2.422 122.499 119.914 0.272 0.000 2.261 99 V HA -0.310 3.811 4.120 0.001 0.000 0.246 99 V C 2.015 178.259 176.094 0.250 0.000 1.047 99 V CA 2.316 64.748 62.300 0.221 0.000 1.015 99 V CB -0.480 31.423 31.823 0.133 0.000 0.642 99 V HN 0.956 nan 8.190 nan 0.000 0.446 100 D N 0.272 120.809 120.400 0.228 0.000 2.097 100 D HA -0.243 4.398 4.640 0.001 0.000 0.195 100 D C 2.075 178.489 176.300 0.191 0.000 0.989 100 D CA 1.249 55.352 54.000 0.172 0.000 0.827 100 D CB -0.457 40.418 40.800 0.124 0.000 0.966 100 D HN 0.282 nan 8.370 nan 0.000 0.456 101 R N -0.290 120.355 120.500 0.242 0.000 2.092 101 R HA -0.031 4.310 4.340 0.001 0.000 0.231 101 R C 2.265 178.722 176.300 0.262 0.000 1.119 101 R CA 0.428 56.662 56.100 0.223 0.000 0.970 101 R CB -1.401 29.048 30.300 0.247 0.000 0.864 101 R HN 0.312 nan 8.270 nan 0.000 0.440 102 F N 0.463 120.518 119.950 0.174 0.000 2.098 102 F HA 0.061 4.588 4.527 0.001 0.000 0.294 102 F C 1.217 177.232 175.800 0.358 0.000 1.107 102 F CA 1.563 59.691 58.000 0.214 0.000 1.234 102 F CB 0.114 39.253 39.000 0.231 0.000 1.002 102 F HN 0.032 nan 8.300 nan 0.000 0.472 103 A N -1.661 121.283 122.820 0.207 0.000 2.474 103 A HA 0.534 4.855 4.320 0.001 0.000 0.249 103 A C 1.202 178.819 177.584 0.054 0.000 0.891 103 A CA 0.535 52.599 52.037 0.045 0.000 1.135 103 A CB -0.606 18.331 19.000 -0.104 0.000 1.191 103 A HN 0.992 nan 8.150 nan 0.000 0.471 104 G N 0.202 109.063 108.800 0.101 0.000 2.990 104 G HA2 -0.188 3.773 3.960 0.001 0.000 0.225 104 G HA3 -0.188 3.773 3.960 0.001 0.000 0.225 104 G C 0.793 175.731 174.900 0.064 0.000 1.304 104 G CA 1.180 46.321 45.100 0.068 0.000 0.816 104 G HN 2.219 nan 8.290 nan 0.000 0.528 105 T N -2.419 112.163 114.554 0.048 0.000 2.812 105 T HA 0.709 5.060 4.350 0.001 0.000 0.294 105 T C 1.231 175.942 174.700 0.019 0.000 1.159 105 T CA -0.030 62.088 62.100 0.030 0.000 1.008 105 T CB 1.460 70.332 68.868 0.007 0.000 1.289 105 T HN 0.421 nan 8.240 nan 0.000 0.514 106 L N 0.125 121.342 121.223 -0.011 0.000 2.046 106 L HA -0.044 4.297 4.340 0.001 0.000 0.208 106 L C 3.166 180.019 176.870 -0.029 0.000 1.077 106 L CA 1.285 56.096 54.840 -0.048 0.000 0.747 106 L CB -0.513 41.495 42.059 -0.086 0.000 0.896 106 L HN 0.689 nan 8.230 nan 0.000 0.432 107 R N -0.099 120.385 120.500 -0.026 0.000 2.091 107 R HA -0.142 4.199 4.340 0.001 0.000 0.238 107 R C 2.364 178.641 176.300 -0.039 0.000 1.136 107 R CA 1.370 57.451 56.100 -0.031 0.000 0.959 107 R CB -0.708 29.573 30.300 -0.032 0.000 0.856 107 R HN 0.450 nan 8.270 nan 0.000 0.437 108 G N 0.331 109.109 108.800 -0.038 0.000 2.418 108 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 108 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 108 G C 1.462 176.332 174.900 -0.051 0.000 1.158 108 G CA 0.723 45.781 45.100 -0.072 0.000 0.771 108 G HN 0.135 nan 8.290 nan 0.000 0.545 109 V N 1.651 121.594 119.914 0.048 0.000 2.332 109 V HA -0.168 3.952 4.120 0.001 0.000 0.248 109 V C 3.342 179.498 176.094 0.104 0.000 1.055 109 V CA 2.031 64.435 62.300 0.174 0.000 1.038 109 V CB -0.942 30.988 31.823 0.178 0.000 0.651 109 V HN 0.476 nan 8.190 nan 0.000 0.450 110 A N -0.339 122.497 122.820 0.027 0.000 1.940 110 A HA -0.268 4.053 4.320 0.001 0.000 0.219 110 A C 2.135 179.713 177.584 -0.009 0.000 1.176 110 A CA 1.978 54.019 52.037 0.008 0.000 0.631 110 A CB -0.496 18.495 19.000 -0.015 0.000 0.814 110 A HN 0.648 nan 8.150 nan 0.000 0.446 111 E N -0.878 119.290 120.200 -0.052 0.000 2.274 111 E HA -0.079 4.272 4.350 0.001 0.000 0.194 111 E C 1.325 177.850 176.600 -0.126 0.000 0.996 111 E CA 0.412 56.752 56.400 -0.100 0.000 0.840 111 E CB 0.046 29.654 29.700 -0.152 0.000 0.772 111 E HN 0.312 nan 8.360 nan 0.000 0.491 112 R N 0.299 120.742 120.500 -0.095 0.000 2.427 112 R HA 0.112 4.452 4.340 0.001 0.000 0.262 112 R C 1.706 178.109 176.300 0.171 0.000 0.943 112 R CA 0.057 56.114 56.100 -0.072 0.000 1.081 112 R CB 0.076 30.245 30.300 -0.218 0.000 1.166 112 R HN 0.071 nan 8.270 nan 0.000 0.534 113 V N 1.994 121.980 119.914 0.120 0.000 2.332 113 V HA -0.179 3.942 4.120 0.001 0.000 0.248 113 V C -0.790 175.381 176.094 0.128 0.000 1.055 113 V CA 2.001 64.377 62.300 0.126 0.000 1.038 113 V CB -0.982 30.882 31.823 0.068 0.000 0.651 113 V HN 0.180 nan 8.190 nan 0.000 0.450 114 P HA -0.197 nan 4.420 nan 0.000 0.218 114 P C 1.539 178.930 177.300 0.153 0.000 1.148 114 P CA 1.438 64.598 63.100 0.099 0.000 0.822 114 P CB -0.125 31.616 31.700 0.068 0.000 0.784 115 Y N 0.498 120.856 120.300 0.097 0.000 2.128 115 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 115 Y C 2.045 178.030 175.900 0.143 0.000 1.154 115 Y CA 1.579 59.778 58.100 0.164 0.000 1.149 115 Y CB -1.007 37.625 38.460 0.287 0.000 0.976 115 Y HN -0.210 nan 8.280 nan 0.000 0.505 116 L N 0.016 121.377 121.223 0.229 0.000 2.017 116 L HA -0.258 4.083 4.340 0.001 0.000 0.208 116 L C 2.693 179.553 176.870 -0.016 0.000 1.073 116 L CA 1.906 56.757 54.840 0.018 0.000 0.745 116 L CB -0.787 41.291 42.059 0.031 0.000 0.894 116 L HN 0.300 nan 8.230 nan 0.000 0.432 117 Q N 0.302 120.124 119.800 0.036 0.000 2.096 117 Q HA -0.293 4.048 4.340 0.001 0.000 0.204 117 Q C 2.171 178.184 176.000 0.023 0.000 0.982 117 Q CA 2.063 57.886 55.803 0.034 0.000 0.850 117 Q CB -0.037 28.728 28.738 0.046 0.000 0.901 117 Q HN 0.481 nan 8.270 nan 0.000 0.422 118 E N -0.182 120.031 120.200 0.022 0.000 2.150 118 E HA -0.205 4.146 4.350 0.001 0.000 0.193 118 E C 1.972 178.597 176.600 0.041 0.000 0.985 118 E CA 0.876 57.305 56.400 0.047 0.000 0.814 118 E CB -0.079 29.671 29.700 0.083 0.000 0.752 118 E HN 0.375 nan 8.360 nan 0.000 0.466 119 L N -0.018 121.180 121.223 -0.041 0.000 2.201 119 L HA 0.037 4.378 4.340 0.001 0.000 0.212 119 L C 1.447 178.276 176.870 -0.068 0.000 1.105 119 L CA 2.209 56.995 54.840 -0.091 0.000 0.775 119 L CB -0.071 41.883 42.059 -0.175 0.000 0.913 119 L HN 0.338 nan 8.230 nan 0.000 0.440 120 G N -1.716 107.072 108.800 -0.020 0.000 2.154 120 G HA2 -0.184 3.777 3.960 0.001 0.000 0.186 120 G HA3 -0.184 3.777 3.960 0.001 0.000 0.186 120 G C 0.119 175.046 174.900 0.045 0.000 1.000 120 G CA -0.013 45.096 45.100 0.014 0.000 0.664 120 G HN 0.249 nan 8.290 nan 0.000 0.513 121 V N 0.955 120.892 119.914 0.038 0.000 2.521 121 V HA 0.325 4.446 4.120 0.001 0.000 0.286 121 V C 1.533 177.696 176.094 0.115 0.000 1.034 121 V CA 0.520 62.872 62.300 0.087 0.000 1.045 121 V CB 1.222 33.069 31.823 0.040 0.000 0.974 121 V HN 0.411 nan 8.190 nan 0.000 0.480 122 R N 2.968 123.572 120.500 0.174 0.000 2.476 122 R HA 0.218 4.559 4.340 0.001 0.000 0.276 122 R C -0.806 175.674 176.300 0.300 0.000 0.941 122 R CA -0.016 56.207 56.100 0.205 0.000 1.088 122 R CB 0.769 31.194 30.300 0.207 0.000 1.216 122 R HN 0.714 nan 8.270 nan 0.000 0.533 123 Y N 0.812 121.197 120.300 0.141 0.000 2.307 123 Y HA 0.324 4.874 4.550 0.001 0.000 0.323 123 Y C -1.845 174.147 175.900 0.154 0.000 1.100 123 Y CA -1.409 56.781 58.100 0.149 0.000 1.140 123 Y CB 1.217 39.758 38.460 0.134 0.000 1.159 123 Y HN -0.120 nan 8.280 nan 0.000 0.436 124 L N 6.969 128.173 121.223 -0.032 0.000 2.319 124 L HA 0.439 4.780 4.340 0.001 0.000 0.281 124 L C -1.280 175.584 176.870 -0.010 0.000 1.005 124 L CA -0.353 54.516 54.840 0.049 0.000 0.828 124 L CB 0.841 42.910 42.059 0.016 0.000 1.227 124 L HN 0.774 nan 8.230 nan 0.000 0.415 125 H N 6.394 125.463 119.070 -0.002 0.000 2.640 125 H HA 0.374 4.930 4.556 0.001 0.000 0.297 125 H C -1.267 174.061 175.328 0.000 0.000 1.073 125 H CA -0.811 55.235 56.048 -0.004 0.000 1.305 125 H CB 0.803 30.626 29.762 0.101 0.000 1.404 125 H HN 0.627 nan 8.280 nan 0.000 0.459 126 L N 7.164 128.360 121.223 -0.045 0.000 2.260 126 L HA 0.197 4.538 4.340 0.001 0.000 0.289 126 L C 0.190 176.965 176.870 -0.157 0.000 1.057 126 L CA -0.531 54.231 54.840 -0.131 0.000 0.811 126 L CB 1.219 43.218 42.059 -0.100 0.000 1.184 126 L HN 0.522 nan 8.230 nan 0.000 0.429 127 L N 4.808 125.749 121.223 -0.470 0.000 2.473 127 L HA 0.111 4.452 4.340 0.001 0.000 0.265 127 L C -1.828 174.971 176.870 -0.117 0.000 1.243 127 L CA -1.411 53.138 54.840 -0.486 0.000 0.822 127 L CB -0.157 41.333 42.059 -0.947 0.000 1.101 127 L HN 0.358 nan 8.230 nan 0.000 0.507 128 P HA -0.128 nan 4.420 nan 0.000 0.258 128 P C -0.473 176.781 177.300 -0.078 0.000 1.172 128 P CA 0.789 63.697 63.100 -0.321 0.000 0.762 128 P CB 0.017 31.350 31.700 -0.611 0.000 0.764 129 F N 1.803 121.719 119.950 -0.056 0.000 2.856 129 F HA 0.369 4.897 4.527 0.001 0.000 0.338 129 F C -0.190 175.604 175.800 -0.010 0.000 1.100 129 F CA -0.590 57.402 58.000 -0.013 0.000 1.150 129 F CB -0.450 38.552 39.000 0.003 0.000 1.101 129 F HN -0.047 nan 8.300 nan 0.000 0.548 130 L N 1.993 123.017 121.223 -0.333 0.000 2.418 130 L HA 0.363 4.704 4.340 0.001 0.000 0.265 130 L C 0.991 177.796 176.870 -0.110 0.000 1.143 130 L CA -0.776 53.950 54.840 -0.190 0.000 0.809 130 L CB 0.645 42.556 42.059 -0.247 0.000 1.124 130 L HN 0.138 nan 8.230 nan 0.000 0.456 131 R N 1.505 121.952 120.500 -0.089 0.000 2.504 131 R HA 0.269 4.610 4.340 0.001 0.000 0.291 131 R C -0.535 175.687 176.300 -0.130 0.000 0.974 131 R CA 0.232 56.275 56.100 -0.095 0.000 1.077 131 R CB 0.349 30.584 30.300 -0.108 0.000 0.926 131 R HN 0.737 nan 8.270 nan 0.000 0.407 132 A N 4.223 126.983 122.820 -0.101 0.000 2.387 132 A HA 0.435 4.756 4.320 0.001 0.000 0.303 132 A C -0.730 176.793 177.584 -0.101 0.000 1.145 132 A CA -0.922 51.059 52.037 -0.095 0.000 0.801 132 A CB 0.935 19.899 19.000 -0.060 0.000 1.342 132 A HN 0.862 nan 8.150 nan 0.000 0.440 133 R N 0.423 120.861 120.500 -0.103 0.000 2.583 133 R HA 0.285 4.626 4.340 0.001 0.000 0.274 133 R C 0.388 176.596 176.300 -0.154 0.000 0.998 133 R CA 0.508 56.520 56.100 -0.146 0.000 1.081 133 R CB 0.194 30.376 30.300 -0.198 0.000 0.940 133 R HN 0.943 nan 8.270 nan 0.000 0.413 134 A N 3.601 126.332 122.820 -0.147 0.000 2.546 134 A HA 0.404 4.725 4.320 0.001 0.000 0.243 134 A C 1.061 178.549 177.584 -0.160 0.000 1.063 134 A CA 0.678 52.637 52.037 -0.130 0.000 0.757 134 A CB -0.345 18.588 19.000 -0.111 0.000 0.991 134 A HN 1.167 nan 8.150 nan 0.000 0.503 135 G N 2.500 111.221 108.800 -0.133 0.000 2.554 135 G HA2 -0.186 3.774 3.960 0.001 0.000 0.253 135 G HA3 -0.186 3.774 3.960 0.001 0.000 0.253 135 G C -0.361 174.431 174.900 -0.180 0.000 1.172 135 G CA 0.167 45.182 45.100 -0.143 0.000 0.950 135 G HN 0.900 nan 8.290 nan 0.000 0.557 136 D N 2.362 122.602 120.400 -0.267 0.000 2.389 136 D HA 0.443 5.084 4.640 0.001 0.000 0.247 136 D C 1.054 177.041 176.300 -0.522 0.000 1.128 136 D CA 0.882 54.685 54.000 -0.328 0.000 0.884 136 D CB 0.811 41.401 40.800 -0.350 0.000 1.194 136 D HN 0.744 nan 8.370 nan 0.000 0.441 137 N N 0.080 118.631 118.700 -0.248 0.000 2.286 137 N HA 0.025 4.766 4.740 0.001 0.000 0.245 137 N C -0.590 175.003 175.510 0.138 0.000 1.363 137 N CA -0.386 52.597 53.050 -0.112 0.000 0.822 137 N CB 0.243 38.683 38.487 -0.078 0.000 1.345 137 N HN 0.163 nan 8.380 nan 0.000 0.494 138 D N 0.937 121.416 120.400 0.132 0.000 2.699 138 D HA -0.115 4.526 4.640 0.001 0.000 0.239 138 D C 1.001 177.501 176.300 0.332 0.000 1.136 138 D CA 1.655 55.775 54.000 0.200 0.000 0.668 138 D CB -1.555 39.457 40.800 0.352 0.000 1.060 138 D HN 0.931 nan 8.370 nan 0.000 0.429 139 G N -0.754 108.198 108.800 0.252 0.000 2.249 139 G HA2 0.070 4.031 3.960 0.001 0.000 0.273 139 G HA3 0.070 4.031 3.960 0.001 0.000 0.273 139 G C 1.490 176.537 174.900 0.245 0.000 1.036 139 G CA 0.913 46.180 45.100 0.277 0.000 0.824 139 G HN 1.798 nan 8.290 nan 0.000 0.504 140 G N -2.194 106.693 108.800 0.145 0.000 2.195 140 G HA2 -0.237 3.724 3.960 0.001 0.000 0.246 140 G HA3 -0.237 3.724 3.960 0.001 0.000 0.246 140 G C 0.860 175.704 174.900 -0.093 0.000 0.984 140 G CA 0.689 45.783 45.100 -0.010 0.000 0.633 140 G HN 0.988 nan 8.290 nan 0.000 0.525 141 F N 1.759 121.782 119.950 0.122 0.000 2.780 141 F HA 0.530 5.058 4.527 0.002 0.000 0.299 141 F C 1.930 177.848 175.800 0.197 0.000 1.146 141 F CA 0.825 58.910 58.000 0.141 0.000 1.428 141 F CB 0.506 39.599 39.000 0.155 0.000 1.115 141 F HN 0.372 nan 8.300 nan 0.000 0.583 142 A N 1.166 124.176 122.820 0.317 0.000 2.621 142 A HA 0.544 4.865 4.320 0.001 0.000 0.329 142 A C -0.334 177.310 177.584 0.100 0.000 1.458 142 A CA -0.343 51.869 52.037 0.292 0.000 1.052 142 A CB -0.487 18.736 19.000 0.371 0.000 1.142 142 A HN -0.028 nan 8.150 nan 0.000 0.523 143 V N 2.702 122.636 119.914 0.032 0.000 2.465 143 V HA 0.179 4.300 4.120 0.001 0.000 0.279 143 V C 0.997 176.980 176.094 -0.185 0.000 1.045 143 V CA 0.270 62.477 62.300 -0.155 0.000 0.938 143 V CB 1.408 33.028 31.823 -0.338 0.000 0.986 143 V HN 0.895 nan 8.190 nan 0.000 0.467 144 S N 2.018 117.589 115.700 -0.215 0.000 2.503 144 S HA 0.129 4.600 4.470 0.001 0.000 0.215 144 S C 0.292 174.604 174.600 -0.481 0.000 1.003 144 S CA 0.090 58.140 58.200 -0.250 0.000 0.910 144 S CB 0.078 63.147 63.200 -0.219 0.000 0.790 144 S HN 0.887 nan 8.310 nan 0.000 0.514 145 D N -0.597 119.540 120.400 -0.439 0.000 2.548 145 D HA 0.187 4.828 4.640 0.001 0.000 0.214 145 D C -0.750 175.397 176.300 -0.255 0.000 1.345 145 D CA -0.422 53.313 54.000 -0.441 0.000 0.945 145 D CB 0.284 40.889 40.800 -0.325 0.000 1.499 145 D HN -0.051 nan 8.370 nan 0.000 0.579 146 Y N 1.338 121.640 120.300 0.003 0.000 2.616 146 Y HA 0.178 4.728 4.550 0.001 0.000 0.296 146 Y C 2.237 178.159 175.900 0.037 0.000 1.154 146 Y CA 1.064 59.213 58.100 0.082 0.000 1.325 146 Y CB 0.573 39.175 38.460 0.237 0.000 1.007 146 Y HN 0.487 nan 8.280 nan 0.000 0.542 147 G N -0.988 107.883 108.800 0.119 0.000 3.453 147 G HA2 0.128 4.088 3.960 0.001 0.000 0.263 147 G HA3 0.128 4.088 3.960 0.001 0.000 0.263 147 G C -0.081 174.845 174.900 0.043 0.000 1.060 147 G CA -0.103 45.050 45.100 0.089 0.000 0.793 147 G HN 0.221 nan 8.290 nan 0.000 0.532 148 Q N 0.827 120.633 119.800 0.011 0.000 2.285 148 Q HA 0.440 4.781 4.340 0.001 0.000 0.269 148 Q C -1.041 174.974 176.000 0.026 0.000 1.030 148 Q CA -0.479 55.328 55.803 0.007 0.000 0.788 148 Q CB 2.879 31.594 28.738 -0.037 0.000 1.266 148 Q HN -0.055 nan 8.270 nan 0.000 0.438 149 V N 2.996 122.958 119.914 0.080 0.000 2.763 149 V HA -0.041 4.080 4.120 0.001 0.000 0.306 149 V C 0.389 176.527 176.094 0.072 0.000 1.059 149 V CA 0.137 62.520 62.300 0.139 0.000 1.138 149 V CB 0.975 32.897 31.823 0.165 0.000 0.940 149 V HN 0.801 nan 8.190 nan 0.000 0.489 150 E N 7.431 127.680 120.200 0.081 0.000 2.498 150 E HA 0.007 4.358 4.350 0.001 0.000 0.252 150 E C -1.813 174.809 176.600 0.038 0.000 1.025 150 E CA -0.943 55.480 56.400 0.038 0.000 0.938 150 E CB 0.918 30.648 29.700 0.051 0.000 0.947 150 E HN 0.365 nan 8.360 nan 0.000 0.478 151 P HA -0.230 nan 4.420 nan 0.000 0.216 151 P C 0.675 177.982 177.300 0.012 0.000 1.153 151 P CA 2.001 65.105 63.100 0.007 0.000 0.858 151 P CB 0.092 31.786 31.700 -0.010 0.000 0.789 152 A N -1.248 121.579 122.820 0.011 0.000 2.125 152 A HA -0.123 4.198 4.320 0.001 0.000 0.219 152 A C 2.005 179.605 177.584 0.027 0.000 1.156 152 A CA 1.280 53.325 52.037 0.014 0.000 0.671 152 A CB -1.374 17.633 19.000 0.011 0.000 0.794 152 A HN 0.185 nan 8.150 nan 0.000 0.459 153 L N -2.465 118.784 121.223 0.044 0.000 2.513 153 L HA 0.392 4.733 4.340 0.001 0.000 0.222 153 L C 1.192 178.084 176.870 0.037 0.000 1.096 153 L CA 0.416 55.290 54.840 0.056 0.000 0.857 153 L CB 0.013 42.131 42.059 0.098 0.000 1.026 153 L HN 0.557 nan 8.230 nan 0.000 0.469 154 G N -0.378 108.442 108.800 0.033 0.000 2.350 154 G HA2 0.099 4.060 3.960 0.001 0.000 0.282 154 G HA3 0.099 4.060 3.960 0.001 0.000 0.282 154 G C -1.186 173.730 174.900 0.026 0.000 1.314 154 G CA -0.103 45.008 45.100 0.020 0.000 0.915 154 G HN 0.069 nan 8.290 nan 0.000 0.499 155 S N -1.042 114.670 115.700 0.019 0.000 2.726 155 S HA 0.600 5.071 4.470 0.001 0.000 0.308 155 S C 0.929 175.548 174.600 0.033 0.000 1.115 155 S CA -0.068 58.145 58.200 0.022 0.000 0.965 155 S CB 1.879 65.085 63.200 0.010 0.000 1.145 155 S HN 0.545 nan 8.310 nan 0.000 0.532 156 N N 1.284 120.005 118.700 0.036 0.000 2.166 156 N HA -0.071 4.669 4.740 0.001 0.000 0.186 156 N C 0.899 176.426 175.510 0.028 0.000 1.019 156 N CA 1.545 54.621 53.050 0.044 0.000 0.856 156 N CB -0.631 37.881 38.487 0.042 0.000 0.993 156 N HN 0.634 nan 8.380 nan 0.000 0.426 157 D N 0.644 121.054 120.400 0.016 0.000 2.149 157 D HA -0.117 4.524 4.640 0.001 0.000 0.198 157 D C 1.149 177.450 176.300 0.001 0.000 0.990 157 D CA 0.924 54.928 54.000 0.007 0.000 0.839 157 D CB -0.283 40.518 40.800 0.003 0.000 0.948 157 D HN 0.259 nan 8.370 nan 0.000 0.460 158 D N -0.087 120.312 120.400 -0.001 0.000 2.144 158 D HA -0.113 4.528 4.640 0.001 0.000 0.199 158 D C 2.138 178.424 176.300 -0.024 0.000 0.984 158 D CA 0.271 54.263 54.000 -0.013 0.000 0.834 158 D CB -0.278 40.513 40.800 -0.014 0.000 0.955 158 D HN 0.158 nan 8.370 nan 0.000 0.465 159 L N 0.704 121.918 121.223 -0.015 0.000 2.017 159 L HA -0.131 4.210 4.340 0.001 0.000 0.208 159 L C 2.236 179.097 176.870 -0.015 0.000 1.073 159 L CA 1.266 56.090 54.840 -0.027 0.000 0.745 159 L CB -0.505 41.570 42.059 0.027 0.000 0.894 159 L HN -0.142 nan 8.230 nan 0.000 0.432 160 V N 0.257 120.172 119.914 0.003 0.000 2.287 160 V HA -0.346 3.775 4.120 0.001 0.000 0.248 160 V C 2.810 178.898 176.094 -0.009 0.000 1.053 160 V CA 1.828 64.129 62.300 0.002 0.000 1.027 160 V CB -1.476 30.352 31.823 0.008 0.000 0.646 160 V HN 0.629 nan 8.190 nan 0.000 0.447 161 A N -0.210 122.602 122.820 -0.013 0.000 1.898 161 A HA -0.179 4.142 4.320 0.001 0.000 0.216 161 A C 2.159 179.730 177.584 -0.022 0.000 1.181 161 A CA 2.039 54.067 52.037 -0.016 0.000 0.620 161 A CB -0.576 18.414 19.000 -0.017 0.000 0.819 161 A HN 0.478 nan 8.150 nan 0.000 0.442 162 L N 0.687 121.891 121.223 -0.031 0.000 2.017 162 L HA -0.148 4.192 4.340 0.001 0.000 0.208 162 L C 2.640 179.489 176.870 -0.035 0.000 1.073 162 L CA 3.205 58.022 54.840 -0.039 0.000 0.745 162 L CB -1.225 40.793 42.059 -0.069 0.000 0.894 162 L HN 0.543 nan 8.230 nan 0.000 0.432 163 T N -2.966 111.566 114.554 -0.036 0.000 2.867 163 T HA -0.033 4.318 4.350 0.001 0.000 0.268 163 T C 1.902 176.590 174.700 -0.019 0.000 1.057 163 T CA 0.931 63.012 62.100 -0.031 0.000 1.136 163 T CB -0.883 67.969 68.868 -0.027 0.000 0.874 163 T HN 0.402 nan 8.240 nan 0.000 0.466 164 A N 1.993 124.804 122.820 -0.016 0.000 1.898 164 A HA 0.028 4.349 4.320 0.001 0.000 0.216 164 A C 2.464 180.041 177.584 -0.012 0.000 1.181 164 A CA 1.770 53.800 52.037 -0.013 0.000 0.620 164 A CB -0.720 18.273 19.000 -0.013 0.000 0.819 164 A HN 0.463 nan 8.150 nan 0.000 0.442 165 R N 0.060 120.554 120.500 -0.011 0.000 2.081 165 R HA 0.005 4.346 4.340 0.001 0.000 0.235 165 R C 1.895 178.196 176.300 0.001 0.000 1.131 165 R CA 1.566 57.663 56.100 -0.006 0.000 0.960 165 R CB -0.817 29.480 30.300 -0.006 0.000 0.856 165 R HN 0.508 nan 8.270 nan 0.000 0.436 166 L N -0.021 121.200 121.223 -0.002 0.000 2.012 166 L HA -0.169 4.172 4.340 0.001 0.000 0.210 166 L C 2.621 179.496 176.870 0.007 0.000 1.073 166 L CA 1.739 56.581 54.840 0.004 0.000 0.748 166 L CB -0.398 41.656 42.059 -0.008 0.000 0.891 166 L HN 0.227 nan 8.230 nan 0.000 0.431 167 R N -0.265 120.234 120.500 -0.002 0.000 2.096 167 R HA -0.129 4.212 4.340 0.001 0.000 0.235 167 R C 2.371 178.672 176.300 0.003 0.000 1.127 167 R CA 1.241 57.339 56.100 -0.003 0.000 0.968 167 R CB -0.448 29.846 30.300 -0.010 0.000 0.861 167 R HN 0.356 nan 8.270 nan 0.000 0.440 168 A N 1.030 123.851 122.820 0.001 0.000 2.019 168 A HA -0.057 4.264 4.320 0.001 0.000 0.219 168 A C 2.068 179.659 177.584 0.011 0.000 1.164 168 A CA 1.624 53.661 52.037 0.002 0.000 0.644 168 A CB -0.264 18.734 19.000 -0.003 0.000 0.805 168 A HN 0.373 nan 8.150 nan 0.000 0.449 169 A N -1.474 121.357 122.820 0.018 0.000 2.307 169 A HA 0.328 4.648 4.320 0.001 0.000 0.218 169 A C 0.833 178.440 177.584 0.038 0.000 1.228 169 A CA 0.568 52.622 52.037 0.029 0.000 0.857 169 A CB -0.488 18.532 19.000 0.034 0.000 0.897 169 A HN 0.569 nan 8.150 nan 0.000 0.495 170 N N -0.919 117.802 118.700 0.035 0.000 2.754 170 N HA -0.139 4.602 4.740 0.001 0.000 0.248 170 N C -0.683 174.872 175.510 0.075 0.000 1.093 170 N CA 0.831 53.909 53.050 0.047 0.000 0.699 170 N CB -1.664 36.856 38.487 0.055 0.000 1.016 170 N HN 0.562 nan 8.380 nan 0.000 0.552 171 I N 0.045 120.652 120.570 0.062 0.000 2.441 171 I HA 0.275 4.446 4.170 0.001 0.000 0.295 171 I C 0.131 176.283 176.117 0.059 0.000 0.994 171 I CA -0.759 60.589 61.300 0.080 0.000 1.144 171 I CB 1.886 39.921 38.000 0.057 0.000 1.314 171 I HN -0.028 nan 8.210 nan 0.000 0.445 172 S N 6.184 121.940 115.700 0.094 0.000 2.442 172 S HA 0.406 4.876 4.470 0.001 0.000 0.297 172 S C -0.456 174.078 174.600 -0.110 0.000 1.131 172 S CA -0.514 57.713 58.200 0.046 0.000 1.092 172 S CB 1.314 64.664 63.200 0.249 0.000 0.998 172 S HN 0.372 nan 8.310 nan 0.000 0.478 173 L N 4.183 125.335 121.223 -0.118 0.000 2.319 173 L HA 0.419 4.760 4.340 0.001 0.000 0.280 173 L C -0.257 176.465 176.870 -0.248 0.000 1.099 173 L CA -0.209 54.535 54.840 -0.161 0.000 0.828 173 L CB 0.275 42.271 42.059 -0.105 0.000 1.150 173 L HN 0.817 nan 8.230 nan 0.000 0.442 174 C N 5.930 125.052 119.300 -0.296 0.000 2.295 174 C HA 0.900 5.360 4.460 0.001 0.000 0.331 174 C C 0.257 175.267 174.990 0.033 0.000 1.280 174 C CA -0.198 58.670 59.018 -0.250 0.000 1.746 174 C CB -0.528 26.991 27.740 -0.370 0.000 2.328 174 C HN 1.045 nan 8.230 nan 0.000 0.521 175 A N 4.860 127.672 122.820 -0.012 0.000 2.374 175 A HA 0.646 4.967 4.320 0.001 0.000 0.317 175 A C -0.720 176.952 177.584 0.147 0.000 1.094 175 A CA -0.541 51.592 52.037 0.160 0.000 0.765 175 A CB 0.810 19.901 19.000 0.153 0.000 1.268 175 A HN 0.885 nan 8.150 nan 0.000 0.438 176 D N 0.521 121.022 120.400 0.167 0.000 2.414 176 D HA 0.365 5.006 4.640 0.001 0.000 0.242 176 D C -0.947 175.545 176.300 0.320 0.000 1.129 176 D CA 1.187 55.310 54.000 0.205 0.000 0.885 176 D CB 0.518 41.382 40.800 0.106 0.000 1.198 176 D HN 0.284 nan 8.370 nan 0.000 0.437 177 F N 3.272 123.340 119.950 0.195 0.000 2.513 177 F HA 0.287 4.815 4.527 0.001 0.000 0.358 177 F C -0.900 175.000 175.800 0.167 0.000 1.118 177 F CA -1.449 56.669 58.000 0.197 0.000 1.037 177 F CB 0.864 39.982 39.000 0.196 0.000 1.276 177 F HN 0.066 nan 8.300 nan 0.000 0.446 178 V N 8.584 128.618 119.914 0.200 0.000 2.287 178 V HA 0.002 4.123 4.120 0.001 0.000 0.246 178 V C 1.511 177.505 176.094 -0.166 0.000 1.165 178 V CA 0.336 62.661 62.300 0.042 0.000 1.088 178 V CB -0.040 31.846 31.823 0.105 0.000 1.242 178 V HN 0.814 nan 8.190 nan 0.000 0.497 179 L N 2.473 123.521 121.223 -0.292 0.000 2.141 179 L HA -0.110 4.231 4.340 0.001 0.000 0.209 179 L C 2.399 179.359 176.870 0.149 0.000 1.094 179 L CA 1.376 56.062 54.840 -0.257 0.000 0.763 179 L CB -0.306 41.582 42.059 -0.286 0.000 0.908 179 L HN 0.697 nan 8.230 nan 0.000 0.437 180 N N -1.022 117.725 118.700 0.077 0.000 2.300 180 N HA -0.085 4.656 4.740 0.001 0.000 0.179 180 N C 0.019 175.793 175.510 0.439 0.000 1.016 180 N CA 0.486 53.722 53.050 0.310 0.000 0.876 180 N CB 0.408 39.140 38.487 0.409 0.000 0.979 180 N HN 0.449 nan 8.380 nan 0.000 0.432 181 H N -2.012 117.286 119.070 0.379 0.000 3.042 181 H HA 0.255 4.811 4.556 0.001 0.000 0.346 181 H C -1.139 174.434 175.328 0.407 0.000 1.294 181 H CA -0.742 55.559 56.048 0.423 0.000 1.141 181 H CB 1.141 31.159 29.762 0.426 0.000 1.872 181 H HN -0.036 nan 8.280 nan 0.000 0.541 182 T N -1.232 113.649 114.554 0.545 0.000 2.940 182 T HA 0.754 5.105 4.350 0.001 0.000 0.288 182 T C 0.408 175.278 174.700 0.282 0.000 1.045 182 T CA -0.426 61.872 62.100 0.331 0.000 1.018 182 T CB 1.760 70.758 68.868 0.217 0.000 1.151 182 T HN 0.923 nan 8.240 nan 0.000 0.529 183 A N 1.326 124.231 122.820 0.143 0.000 2.425 183 A HA 0.358 4.679 4.320 0.001 0.000 0.242 183 A C 1.165 178.647 177.584 -0.169 0.000 1.077 183 A CA -0.051 52.022 52.037 0.061 0.000 0.781 183 A CB -0.261 18.740 19.000 0.003 0.000 1.020 183 A HN 0.976 nan 8.150 nan 0.000 0.494 184 D N 0.225 120.406 120.400 -0.366 0.000 2.352 184 D HA -0.079 4.562 4.640 0.001 0.000 0.232 184 D C 0.249 176.201 176.300 -0.580 0.000 1.055 184 D CA 0.888 54.336 54.000 -0.920 0.000 0.891 184 D CB 0.089 40.296 40.800 -0.988 0.000 0.897 184 D HN 0.560 nan 8.370 nan 0.000 0.529 185 D N -1.308 118.907 120.400 -0.308 0.000 2.479 185 D HA -0.069 4.572 4.640 0.001 0.000 0.218 185 D C 0.506 176.695 176.300 -0.185 0.000 1.177 185 D CA -0.554 53.310 54.000 -0.227 0.000 0.830 185 D CB -0.920 39.771 40.800 -0.182 0.000 1.014 185 D HN 0.216 nan 8.370 nan 0.000 0.503 186 H N 1.059 119.976 119.070 -0.254 0.000 2.998 186 H HA 0.157 4.714 4.556 0.001 0.000 0.353 186 H C 1.281 176.467 175.328 -0.237 0.000 1.099 186 H CA 1.051 56.943 56.048 -0.260 0.000 1.393 186 H CB 1.575 31.212 29.762 -0.210 0.000 1.343 186 H HN 0.093 nan 8.280 nan 0.000 0.609 187 A N 5.001 127.528 122.820 -0.488 0.000 1.940 187 A HA -0.214 4.107 4.320 0.001 0.000 0.219 187 A C 2.102 179.688 177.584 0.002 0.000 1.176 187 A CA 1.328 53.210 52.037 -0.260 0.000 0.631 187 A CB -0.616 18.165 19.000 -0.366 0.000 0.814 187 A HN 0.797 nan 8.150 nan 0.000 0.446 188 W N -0.589 120.901 121.300 0.317 0.000 2.388 188 W HA 0.065 4.726 4.660 0.001 0.000 0.294 188 W C 2.743 179.416 176.519 0.257 0.000 1.212 188 W CA 0.522 57.940 57.345 0.121 0.000 1.271 188 W CB -1.332 28.319 29.460 0.318 0.000 1.126 188 W HN 0.442 nan 8.180 nan 0.000 0.535 189 A N 0.436 123.532 122.820 0.459 0.000 1.930 189 A HA -0.212 4.109 4.320 0.001 0.000 0.217 189 A C 2.000 179.592 177.584 0.014 0.000 1.175 189 A CA 1.592 53.673 52.037 0.074 0.000 0.627 189 A CB -0.827 17.838 19.000 -0.560 0.000 0.815 189 A HN 0.365 nan 8.150 nan 0.000 0.443 190 Q N -0.632 119.153 119.800 -0.025 0.000 2.124 190 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 190 Q C 2.398 178.401 176.000 0.004 0.000 0.977 190 Q CA 1.295 57.074 55.803 -0.040 0.000 0.850 190 Q CB -0.363 28.326 28.738 -0.083 0.000 0.901 190 Q HN 0.688 nan 8.270 nan 0.000 0.429 191 A N 1.099 123.919 122.820 -0.001 0.000 1.898 191 A HA -0.098 4.223 4.320 0.001 0.000 0.216 191 A C 2.302 179.961 177.584 0.125 0.000 1.181 191 A CA 1.471 53.509 52.037 0.002 0.000 0.620 191 A CB -0.740 18.121 19.000 -0.233 0.000 0.819 191 A HN 0.391 nan 8.150 nan 0.000 0.442 192 A N 0.127 123.075 122.820 0.213 0.000 1.883 192 A HA -0.198 4.123 4.320 0.001 0.000 0.217 192 A C 2.213 179.880 177.584 0.138 0.000 1.186 192 A CA 1.644 53.813 52.037 0.220 0.000 0.624 192 A CB -0.488 18.732 19.000 0.367 0.000 0.822 192 A HN 0.557 nan 8.150 nan 0.000 0.444 193 R N -0.573 120.014 120.500 0.145 0.000 2.189 193 R HA 0.018 4.358 4.340 0.001 0.000 0.223 193 R C 1.918 178.242 176.300 0.041 0.000 1.092 193 R CA 0.934 57.089 56.100 0.093 0.000 0.989 193 R CB -0.324 30.026 30.300 0.084 0.000 0.876 193 R HN 0.479 nan 8.270 nan 0.000 0.457 194 A N 0.002 122.846 122.820 0.040 0.000 2.251 194 A HA 0.281 4.602 4.320 0.001 0.000 0.209 194 A C 1.299 178.901 177.584 0.029 0.000 1.187 194 A CA 0.631 52.683 52.037 0.025 0.000 0.823 194 A CB 0.080 19.091 19.000 0.019 0.000 0.846 194 A HN 0.415 nan 8.150 nan 0.000 0.486 195 G N -0.524 108.296 108.800 0.033 0.000 2.159 195 G HA2 -0.199 3.762 3.960 0.001 0.000 0.227 195 G HA3 -0.199 3.762 3.960 0.001 0.000 0.227 195 G C -0.155 174.764 174.900 0.033 0.000 0.986 195 G CA 0.144 45.256 45.100 0.020 0.000 0.651 195 G HN 0.508 nan 8.290 nan 0.000 0.523 196 D N 1.618 122.059 120.400 0.069 0.000 2.374 196 D HA 0.422 5.063 4.640 0.001 0.000 0.240 196 D C 2.034 178.369 176.300 0.058 0.000 1.229 196 D CA 0.550 54.606 54.000 0.092 0.000 0.895 196 D CB 0.660 41.580 40.800 0.200 0.000 1.046 196 D HN 0.292 nan 8.370 nan 0.000 0.498 197 T N 1.507 116.062 114.554 0.002 0.000 2.881 197 T HA -0.210 4.141 4.350 0.001 0.000 0.270 197 T C 1.816 176.481 174.700 -0.058 0.000 1.068 197 T CA 0.780 62.857 62.100 -0.037 0.000 1.131 197 T CB -0.009 68.841 68.868 -0.029 0.000 0.871 197 T HN 0.425 nan 8.240 nan 0.000 0.479 198 R N -0.131 120.302 120.500 -0.112 0.000 2.091 198 R HA -0.133 4.208 4.340 0.001 0.000 0.238 198 R C 1.883 177.915 176.300 -0.447 0.000 1.136 198 R CA 1.606 57.542 56.100 -0.273 0.000 0.959 198 R CB -0.443 29.611 30.300 -0.410 0.000 0.856 198 R HN 0.523 nan 8.270 nan 0.000 0.437 199 Y N 0.065 120.236 120.300 -0.214 0.000 2.420 199 Y HA -0.050 4.501 4.550 0.001 0.000 0.292 199 Y C 1.940 177.855 175.900 0.023 0.000 1.119 199 Y CA 0.379 58.263 58.100 -0.360 0.000 1.229 199 Y CB -0.231 38.077 38.460 -0.253 0.000 1.026 199 Y HN 0.084 nan 8.280 nan 0.000 0.554 200 L N 0.492 121.807 121.223 0.154 0.000 2.042 200 L HA -0.235 4.105 4.340 0.001 0.000 0.210 200 L C 1.348 178.321 176.870 0.173 0.000 1.076 200 L CA 1.954 56.857 54.840 0.104 0.000 0.749 200 L CB -0.598 41.340 42.059 -0.200 0.000 0.893 200 L HN 0.087 nan 8.230 nan 0.000 0.432 201 D N -1.798 118.680 120.400 0.130 0.000 2.378 201 D HA -0.135 4.505 4.640 0.001 0.000 0.227 201 D C 1.481 177.851 176.300 0.118 0.000 1.012 201 D CA 0.568 54.678 54.000 0.183 0.000 0.905 201 D CB -0.066 40.799 40.800 0.109 0.000 0.895 201 D HN 0.393 nan 8.370 nan 0.000 0.532 202 Y N -0.599 119.606 120.300 -0.159 0.000 2.583 202 Y HA 0.030 4.581 4.550 0.001 0.000 0.293 202 Y C 0.238 175.750 175.900 -0.647 0.000 1.157 202 Y CA 0.035 57.844 58.100 -0.485 0.000 1.315 202 Y CB -0.299 37.813 38.460 -0.580 0.000 1.021 202 Y HN -0.057 nan 8.280 nan 0.000 0.536 203 Y N -2.382 118.004 120.300 0.144 0.000 2.693 203 Y HA 0.414 4.965 4.550 0.001 0.000 0.331 203 Y C 0.020 175.898 175.900 -0.037 0.000 1.092 203 Y CA -1.692 56.474 58.100 0.109 0.000 1.131 203 Y CB 0.775 39.410 38.460 0.292 0.000 1.318 203 Y HN -0.203 nan 8.280 nan 0.000 0.510 204 H N 1.385 120.631 119.070 0.293 0.000 2.640 204 H HA 0.250 4.807 4.556 0.001 0.000 0.297 204 H C -1.085 174.264 175.328 0.035 0.000 1.073 204 H CA -0.334 55.779 56.048 0.109 0.000 1.305 204 H CB 0.128 30.115 29.762 0.375 0.000 1.404 204 H HN 0.718 nan 8.280 nan 0.000 0.459 205 H N 0.912 119.805 119.070 -0.295 0.000 2.717 205 H HA 0.546 5.103 4.556 0.001 0.000 0.366 205 H C -1.580 173.410 175.328 -0.563 0.000 1.132 205 H CA -0.936 54.963 56.048 -0.250 0.000 1.180 205 H CB 0.948 30.636 29.762 -0.123 0.000 1.678 205 H HN 0.187 nan 8.280 nan 0.000 0.537 206 F N 0.777 120.905 119.950 0.298 0.000 2.561 206 F HA 0.544 5.072 4.527 0.001 0.000 0.313 206 F C 1.002 176.997 175.800 0.325 0.000 1.126 206 F CA -0.793 57.349 58.000 0.236 0.000 0.918 206 F CB 2.307 41.394 39.000 0.145 0.000 1.199 206 F HN 0.845 nan 8.300 nan 0.000 0.444 207 A N 1.053 124.118 122.820 0.408 0.000 2.019 207 A HA 0.021 4.342 4.320 0.001 0.000 0.219 207 A C 0.307 178.166 177.584 0.459 0.000 1.164 207 A CA 1.971 54.226 52.037 0.364 0.000 0.644 207 A CB -0.773 18.373 19.000 0.244 0.000 0.805 207 A HN 0.834 nan 8.150 nan 0.000 0.449 208 D N -4.661 115.987 120.400 0.413 0.000 2.752 208 D HA 0.387 5.028 4.640 0.001 0.000 0.313 208 D C 0.300 176.622 176.300 0.037 0.000 1.225 208 D CA -0.817 53.378 54.000 0.325 0.000 0.976 208 D CB 0.232 41.124 40.800 0.153 0.000 1.443 208 D HN -0.233 nan 8.370 nan 0.000 0.515 209 R N -0.254 120.114 120.500 -0.220 0.000 2.313 209 R HA 0.133 4.474 4.340 0.001 0.000 0.199 209 R C 1.082 177.098 176.300 -0.473 0.000 0.958 209 R CA 0.187 55.920 56.100 -0.611 0.000 1.047 209 R CB -1.185 28.757 30.300 -0.595 0.000 0.955 209 R HN 0.572 nan 8.270 nan 0.000 0.481 210 N N 1.006 119.535 118.700 -0.284 0.000 2.025 210 N HA -0.183 4.558 4.740 0.001 0.000 0.194 210 N C 1.622 176.932 175.510 -0.333 0.000 1.044 210 N CA 2.124 55.028 53.050 -0.243 0.000 0.851 210 N CB -0.005 38.405 38.487 -0.128 0.000 1.036 210 N HN 0.204 nan 8.380 nan 0.000 0.422 211 A N 0.326 122.920 122.820 -0.377 0.000 1.897 211 A HA 0.074 4.395 4.320 0.001 0.000 0.215 211 A C -0.298 176.827 177.584 -0.765 0.000 1.181 211 A CA 0.851 52.586 52.037 -0.503 0.000 0.620 211 A CB -1.416 17.365 19.000 -0.365 0.000 0.821 211 A HN 0.294 nan 8.150 nan 0.000 0.443 212 P HA -0.158 nan 4.420 nan 0.000 0.216 212 P C 0.491 177.277 177.300 -0.858 0.000 1.153 212 P CA 1.575 63.692 63.100 -1.638 0.000 0.858 212 P CB -0.099 30.471 31.700 -1.884 0.000 0.789 213 D N -1.212 118.802 120.400 -0.644 0.000 2.123 213 D HA -0.176 4.464 4.640 0.001 0.000 0.196 213 D C 2.106 178.220 176.300 -0.310 0.000 0.992 213 D CA 1.142 54.894 54.000 -0.413 0.000 0.833 213 D CB -0.540 40.055 40.800 -0.343 0.000 0.954 213 D HN 0.140 nan 8.370 nan 0.000 0.455 214 Q N -0.611 118.985 119.800 -0.340 0.000 2.119 214 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 214 Q C 2.191 178.041 176.000 -0.250 0.000 0.972 214 Q CA 0.796 56.425 55.803 -0.290 0.000 0.847 214 Q CB -0.558 27.976 28.738 -0.339 0.000 0.903 214 Q HN 0.470 nan 8.270 nan 0.000 0.433 215 Y N 1.725 121.863 120.300 -0.271 0.000 2.165 215 Y HA -0.185 4.366 4.550 0.001 0.000 0.286 215 Y C 1.902 177.732 175.900 -0.116 0.000 1.155 215 Y CA 1.233 59.228 58.100 -0.175 0.000 1.164 215 Y CB -0.256 38.055 38.460 -0.249 0.000 0.978 215 Y HN 0.149 nan 8.280 nan 0.000 0.513 216 D N -1.081 119.321 120.400 0.004 0.000 2.311 216 D HA -0.134 4.507 4.640 0.001 0.000 0.212 216 D C 2.137 178.419 176.300 -0.030 0.000 0.972 216 D CA 1.652 55.641 54.000 -0.019 0.000 0.887 216 D CB -0.433 40.320 40.800 -0.079 0.000 0.915 216 D HN 0.493 nan 8.370 nan 0.000 0.497 217 T N -2.672 111.855 114.554 -0.044 0.000 3.023 217 T HA -0.062 4.289 4.350 0.001 0.000 0.266 217 T C 1.751 176.444 174.700 -0.012 0.000 1.093 217 T CA 1.472 63.547 62.100 -0.042 0.000 1.129 217 T CB -0.093 68.736 68.868 -0.065 0.000 0.899 217 T HN 0.141 nan 8.240 nan 0.000 0.491 218 T N -1.116 113.451 114.554 0.021 0.000 3.003 218 T HA 0.457 4.808 4.350 0.001 0.000 0.261 218 T C 0.445 175.184 174.700 0.065 0.000 1.003 218 T CA -0.565 61.560 62.100 0.043 0.000 0.917 218 T CB -0.222 68.683 68.868 0.062 0.000 1.084 218 T HN 0.305 nan 8.240 nan 0.000 0.522 219 L N 2.286 123.550 121.223 0.068 0.000 2.375 219 L HA 0.543 4.884 4.340 0.001 0.000 0.271 219 L C -0.281 176.598 176.870 0.015 0.000 1.107 219 L CA -1.120 53.756 54.840 0.059 0.000 0.806 219 L CB 1.541 43.624 42.059 0.039 0.000 1.146 219 L HN -0.009 nan 8.230 nan 0.000 0.447 220 V N 2.788 122.710 119.914 0.013 0.000 2.383 220 V HA 0.158 4.279 4.120 0.001 0.000 0.275 220 V C 0.122 176.186 176.094 -0.051 0.000 1.036 220 V CA -0.693 61.600 62.300 -0.012 0.000 0.889 220 V CB 1.226 33.048 31.823 -0.002 0.000 0.985 220 V HN 0.727 nan 8.190 nan 0.000 0.459 221 Q N 2.916 122.675 119.800 -0.069 0.000 2.313 221 Q HA 0.186 4.527 4.340 0.001 0.000 0.266 221 Q C 0.745 176.646 176.000 -0.166 0.000 0.989 221 Q CA -0.341 55.392 55.803 -0.116 0.000 0.890 221 Q CB 1.595 30.290 28.738 -0.072 0.000 1.200 221 Q HN 0.607 nan 8.270 nan 0.000 0.396 222 V N 2.270 121.992 119.914 -0.320 0.000 2.446 222 V HA -0.101 4.020 4.120 0.001 0.000 0.244 222 V C 0.356 176.116 176.094 -0.558 0.000 1.039 222 V CA 1.339 63.328 62.300 -0.518 0.000 1.045 222 V CB 0.005 31.299 31.823 -0.882 0.000 0.681 222 V HN 0.595 nan 8.190 nan 0.000 0.459 223 F N 0.443 120.318 119.950 -0.124 0.000 2.530 223 F HA 0.497 5.024 4.527 0.001 0.000 0.318 223 F C -1.961 173.789 175.800 -0.083 0.000 1.356 223 F CA -3.427 54.503 58.000 -0.116 0.000 1.135 223 F CB -0.735 38.134 39.000 -0.219 0.000 1.315 223 F HN 0.117 nan 8.300 nan 0.000 0.549 229 G N 1.829 110.633 108.800 0.006 0.000 2.440 229 G HA2 -0.044 3.917 3.960 0.001 0.000 0.684 229 G HA3 -0.044 3.917 3.960 0.001 0.000 0.684 229 G C -0.427 174.418 174.900 -0.092 0.000 1.309 229 G CA -0.204 44.893 45.100 -0.005 0.000 0.931 229 G HN 0.584 nan 8.290 nan 0.000 0.612 230 N N -1.091 117.509 118.700 -0.167 0.000 2.171 230 N HA 0.419 5.160 4.740 0.001 0.000 0.212 230 N C -0.513 174.471 175.510 -0.876 0.000 1.184 230 N CA 0.127 52.865 53.050 -0.520 0.000 0.888 230 N CB 0.698 38.759 38.487 -0.711 0.000 1.038 230 N HN 0.344 nan 8.380 nan 0.000 0.517 231 F N -0.150 119.734 119.950 -0.111 0.000 2.578 231 F HA 0.477 5.005 4.527 0.001 0.000 0.311 231 F C -0.312 175.683 175.800 0.326 0.000 1.094 231 F CA -0.832 57.201 58.000 0.054 0.000 0.923 231 F CB 2.228 41.199 39.000 -0.049 0.000 1.230 231 F HN -0.330 nan 8.300 nan 0.000 0.450 232 T N 2.305 117.164 114.554 0.509 0.000 2.841 232 T HA 0.116 4.467 4.350 0.001 0.000 0.285 232 T C -1.269 173.543 174.700 0.187 0.000 0.991 232 T CA -0.533 61.793 62.100 0.376 0.000 0.966 232 T CB 1.199 70.208 68.868 0.236 0.000 0.962 232 T HN 0.601 nan 8.240 nan 0.000 0.438 233 W N 5.204 126.257 121.300 -0.413 0.000 2.356 233 W HA 0.467 5.128 4.660 0.001 0.000 0.311 233 W C -1.554 174.755 176.519 -0.350 0.000 1.328 233 W CA -0.514 56.312 57.345 -0.867 0.000 1.251 233 W CB 0.463 29.084 29.460 -1.399 0.000 1.280 233 W HN 0.294 nan 8.180 nan 0.000 0.524 234 V N 8.097 127.479 119.914 -0.886 0.000 2.328 234 V HA 0.006 4.127 4.120 0.001 0.000 0.278 234 V C 0.973 176.554 176.094 -0.854 0.000 1.021 234 V CA -0.361 61.590 62.300 -0.581 0.000 0.838 234 V CB 1.316 32.960 31.823 -0.297 0.000 0.999 234 V HN 0.578 nan 8.190 nan 0.000 0.447 235 D N 2.669 122.779 120.400 -0.483 0.000 2.144 235 D HA -0.182 4.459 4.640 0.001 0.000 0.199 235 D C 1.809 177.978 176.300 -0.218 0.000 0.984 235 D CA 1.489 55.323 54.000 -0.277 0.000 0.834 235 D CB 0.412 41.218 40.800 0.010 0.000 0.955 235 D HN 0.801 nan 8.370 nan 0.000 0.465 236 E N -0.000 120.106 120.200 -0.156 0.000 2.085 236 E HA -0.164 4.187 4.350 0.001 0.000 0.194 236 E C 1.843 178.369 176.600 -0.124 0.000 0.994 236 E CA 1.864 58.211 56.400 -0.089 0.000 0.801 236 E CB 0.155 29.837 29.700 -0.030 0.000 0.743 236 E HN 0.329 nan 8.360 nan 0.000 0.453 237 T N -2.619 111.810 114.554 -0.208 0.000 3.065 237 T HA 0.119 4.469 4.350 0.001 0.000 0.252 237 T C 0.608 175.111 174.700 -0.328 0.000 1.099 237 T CA 0.078 62.047 62.100 -0.219 0.000 1.063 237 T CB -0.080 68.659 68.868 -0.215 0.000 0.948 237 T HN 0.170 nan 8.240 nan 0.000 0.506 238 R N 1.484 121.634 120.500 -0.583 0.000 3.333 238 R HA -0.118 4.223 4.340 0.001 0.000 0.256 238 R C -0.787 175.007 176.300 -0.842 0.000 1.010 238 R CA 0.477 56.066 56.100 -0.852 0.000 0.680 238 R CB -1.649 28.589 30.300 -0.103 0.000 1.102 238 R HN 0.616 nan 8.270 nan 0.000 0.440 239 Q N -0.602 118.604 119.800 -0.990 0.000 2.421 239 Q HA 0.265 4.605 4.340 0.001 0.000 0.280 239 Q C -0.706 175.094 176.000 -0.334 0.000 1.085 239 Q CA -0.715 54.876 55.803 -0.354 0.000 0.807 239 Q CB 1.296 29.950 28.738 -0.140 0.000 1.405 239 Q HN 0.163 nan 8.270 nan 0.000 0.419 240 W N 2.263 123.701 121.300 0.230 0.000 2.345 240 W HA 0.322 4.982 4.660 0.001 0.000 0.308 240 W C -0.001 176.696 176.519 0.297 0.000 1.273 240 W CA -0.282 57.246 57.345 0.306 0.000 1.243 240 W CB 0.650 30.310 29.460 0.334 0.000 1.260 240 W HN 0.247 nan 8.180 nan 0.000 0.509 241 M N 3.493 123.277 119.600 0.307 0.000 2.363 241 M HA 0.188 4.669 4.480 0.001 0.000 0.343 241 M C -0.348 176.185 176.300 0.387 0.000 1.165 241 M CA -1.190 54.186 55.300 0.128 0.000 1.046 241 M CB 0.942 33.144 32.600 -0.662 0.000 1.648 241 M HN 0.436 nan 8.290 nan 0.000 0.452 242 W N 4.349 125.815 121.300 0.277 0.000 2.446 242 W HA 0.251 4.912 4.660 0.001 0.000 0.316 242 W C -0.449 176.030 176.519 -0.068 0.000 1.376 242 W CA 0.343 57.676 57.345 -0.019 0.000 1.300 242 W CB 0.317 29.802 29.460 0.042 0.000 1.351 242 W HN 0.680 nan 8.180 nan 0.000 0.530 243 T N 1.879 116.497 114.554 0.107 0.000 3.226 243 T HA 0.146 4.497 4.350 0.001 0.000 0.378 243 T C 0.820 175.498 174.700 -0.036 0.000 1.380 243 T CA -0.478 61.709 62.100 0.146 0.000 1.396 243 T CB 0.858 69.828 68.868 0.170 0.000 1.044 243 T HN 0.274 nan 8.240 nan 0.000 0.586 244 T N 2.254 116.764 114.554 -0.073 0.000 2.684 244 T HA 0.026 4.377 4.350 0.001 0.000 0.267 244 T C 0.564 174.830 174.700 -0.723 0.000 1.036 244 T CA 1.653 63.450 62.100 -0.505 0.000 1.148 244 T CB -0.317 68.008 68.868 -0.905 0.000 0.863 244 T HN 0.565 nan 8.240 nan 0.000 0.436 245 F N -1.186 118.642 119.950 -0.202 0.000 2.646 245 F HA 0.421 4.949 4.527 0.001 0.000 0.180 245 F C 0.541 176.316 175.800 -0.041 0.000 1.185 245 F CA -1.181 56.758 58.000 -0.101 0.000 0.926 245 F CB -0.679 38.245 39.000 -0.128 0.000 1.668 245 F HN -0.071 nan 8.300 nan 0.000 0.658 246 Y N 2.183 122.567 120.300 0.140 0.000 2.357 246 Y HA 0.154 4.705 4.550 0.001 0.000 0.340 246 Y C -1.263 174.490 175.900 -0.245 0.000 1.260 246 Y CA -1.592 56.348 58.100 -0.268 0.000 1.425 246 Y CB -0.322 37.592 38.460 -0.909 0.000 1.326 246 Y HN 0.067 nan 8.280 nan 0.000 0.580 247 P HA -0.182 nan 4.420 nan 0.000 0.225 247 P C 0.191 177.642 177.300 0.251 0.000 1.148 247 P CA 1.536 64.721 63.100 0.142 0.000 0.779 247 P CB -0.155 31.654 31.700 0.182 0.000 0.780 248 Y N -1.584 118.893 120.300 0.295 0.000 2.493 248 Y HA 0.461 5.012 4.550 0.001 0.000 0.275 248 Y C 0.427 176.425 175.900 0.164 0.000 1.183 248 Y CA -1.038 57.169 58.100 0.178 0.000 1.258 248 Y CB -1.113 37.392 38.460 0.075 0.000 1.108 248 Y HN -0.120 nan 8.280 nan 0.000 0.521 249 Q N 1.078 121.032 119.800 0.256 0.000 2.394 249 Q HA 0.209 4.550 4.340 0.001 0.000 0.259 249 Q C -1.569 174.746 176.000 0.525 0.000 1.021 249 Q CA -0.633 55.384 55.803 0.357 0.000 0.805 249 Q CB 0.803 29.695 28.738 0.256 0.000 1.226 249 Q HN 0.292 nan 8.270 nan 0.000 0.476 250 W N 2.186 123.652 121.300 0.277 0.000 2.331 250 W HA 0.221 4.882 4.660 0.001 0.000 0.306 250 W C -0.286 176.537 176.519 0.506 0.000 1.162 250 W CA -1.377 56.143 57.345 0.291 0.000 1.232 250 W CB 0.374 29.835 29.460 0.002 0.000 1.235 250 W HN 0.484 nan 8.180 nan 0.000 0.479 251 D N 2.616 123.403 120.400 0.644 0.000 2.450 251 D HA 0.103 4.744 4.640 0.001 0.000 0.247 251 D C 0.391 177.037 176.300 0.576 0.000 1.162 251 D CA 0.245 54.557 54.000 0.520 0.000 0.879 251 D CB 0.642 41.530 40.800 0.148 0.000 1.163 251 D HN 0.058 nan 8.370 nan 0.000 0.472 252 L N 2.530 124.009 121.223 0.426 0.000 2.467 252 L HA 0.065 4.406 4.340 0.001 0.000 0.270 252 L C 0.975 177.806 176.870 -0.066 0.000 1.205 252 L CA -0.173 54.698 54.840 0.052 0.000 0.828 252 L CB 0.347 42.316 42.059 -0.150 0.000 1.101 252 L HN 0.353 nan 8.230 nan 0.000 0.479 253 N N 1.494 119.931 118.700 -0.438 0.000 2.719 253 N HA 0.046 4.787 4.740 0.001 0.000 0.243 253 N C 0.115 175.367 175.510 -0.431 0.000 1.104 253 N CA -0.139 52.532 53.050 -0.632 0.000 0.981 253 N CB 0.220 38.257 38.487 -0.750 0.000 1.290 253 N HN 0.421 nan 8.380 nan 0.000 0.513 254 W N 1.294 122.475 121.300 -0.197 0.000 3.077 254 W HA 0.005 4.666 4.660 0.002 0.000 0.245 254 W C 2.081 178.656 176.519 0.094 0.000 1.316 254 W CA 0.174 57.500 57.345 -0.032 0.000 1.537 254 W CB 0.049 29.584 29.460 0.125 0.000 1.131 254 W HN 0.571 nan 8.180 nan 0.000 0.695 255 S N -0.587 115.095 115.700 -0.030 0.000 2.562 255 S HA -0.028 4.443 4.470 0.001 0.000 0.221 255 S C 0.689 175.340 174.600 0.086 0.000 0.975 255 S CA 0.053 58.277 58.200 0.040 0.000 0.918 255 S CB -0.328 62.721 63.200 -0.252 0.000 0.772 255 S HN 0.125 nan 8.310 nan 0.000 0.531 256 N N 2.803 121.355 118.700 -0.246 0.000 2.426 256 N HA 0.337 5.078 4.740 0.001 0.000 0.257 256 N C -1.774 173.094 175.510 -1.069 0.000 1.002 256 N CA -2.445 50.217 53.050 -0.647 0.000 0.942 256 N CB 1.762 39.914 38.487 -0.558 0.000 1.112 256 N HN 0.006 nan 8.380 nan 0.000 0.499 257 P HA -0.120 nan 4.420 nan 0.000 0.220 257 P C 0.794 176.955 177.300 -1.898 0.000 1.148 257 P CA 0.841 62.538 63.100 -2.339 0.000 0.803 257 P CB 0.246 30.477 31.700 -2.449 0.000 0.782 258 A N 0.054 122.049 122.820 -1.376 0.000 1.933 258 A HA -0.107 4.214 4.320 0.001 0.000 0.218 258 A C 2.460 179.463 177.584 -0.968 0.000 1.175 258 A CA 1.599 53.105 52.037 -0.886 0.000 0.628 258 A CB -1.590 17.067 19.000 -0.573 0.000 0.814 258 A HN 0.075 nan 8.150 nan 0.000 0.444 259 V N -1.316 117.868 119.914 -1.217 0.000 2.307 259 V HA -0.224 3.897 4.120 0.001 0.000 0.245 259 V C 2.236 177.697 176.094 -1.054 0.000 1.045 259 V CA 2.048 63.550 62.300 -1.328 0.000 1.024 259 V CB -0.901 30.126 31.823 -1.326 0.000 0.651 259 V HN 0.657 nan 8.190 nan 0.000 0.449 260 F N 1.828 121.199 119.950 -0.964 0.000 2.095 260 F HA -0.138 4.390 4.527 0.001 0.000 0.298 260 F C 2.195 177.752 175.800 -0.405 0.000 1.104 260 F CA 1.977 59.656 58.000 -0.536 0.000 1.232 260 F CB -0.820 37.987 39.000 -0.321 0.000 0.987 260 F HN 0.152 nan 8.300 nan 0.000 0.475 261 G N -0.087 108.518 108.800 -0.325 0.000 2.446 261 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 261 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 261 G C 1.551 176.469 174.900 0.029 0.000 1.168 261 G CA 0.899 45.815 45.100 -0.308 0.000 0.771 261 G HN 0.390 nan 8.290 nan 0.000 0.551 262 E N 0.013 120.138 120.200 -0.125 0.000 2.077 262 E HA -0.097 4.254 4.350 0.001 0.000 0.193 262 E C 2.655 179.309 176.600 0.090 0.000 0.989 262 E CA 0.905 57.311 56.400 0.010 0.000 0.800 262 E CB -0.225 29.305 29.700 -0.284 0.000 0.746 262 E HN 0.338 nan 8.360 nan 0.000 0.452 263 M N -0.058 119.467 119.600 -0.125 0.000 2.254 263 M HA -0.010 4.470 4.480 0.001 0.000 0.265 263 M C 2.363 178.726 176.300 0.104 0.000 1.066 263 M CA 0.799 56.118 55.300 0.031 0.000 1.123 263 M CB -0.968 31.546 32.600 -0.143 0.000 1.388 263 M HN 0.006 nan 8.290 nan 0.000 0.425 264 A N 0.698 123.467 122.820 -0.084 0.000 1.902 264 A HA -0.106 4.215 4.320 0.001 0.000 0.217 264 A C 2.280 179.935 177.584 0.118 0.000 1.181 264 A CA 1.225 53.265 52.037 0.004 0.000 0.623 264 A CB -0.860 18.195 19.000 0.091 0.000 0.818 264 A HN 0.459 nan 8.150 nan 0.000 0.443 265 L N -0.864 120.489 121.223 0.217 0.000 2.056 265 L HA -0.174 4.167 4.340 0.001 0.000 0.207 265 L C 3.081 180.012 176.870 0.101 0.000 1.078 265 L CA 1.018 55.965 54.840 0.178 0.000 0.749 265 L CB -0.606 41.598 42.059 0.242 0.000 0.901 265 L HN 0.437 nan 8.230 nan 0.000 0.433 266 A N -0.237 122.655 122.820 0.121 0.000 1.933 266 A HA -0.263 4.058 4.320 0.001 0.000 0.218 266 A C 2.348 179.813 177.584 -0.199 0.000 1.175 266 A CA 1.849 53.929 52.037 0.071 0.000 0.628 266 A CB -0.491 18.628 19.000 0.199 0.000 0.814 266 A HN 0.423 nan 8.150 nan 0.000 0.444 267 M N -0.444 118.909 119.600 -0.412 0.000 2.067 267 M HA -0.108 4.373 4.480 0.001 0.000 0.260 267 M C 1.894 177.972 176.300 -0.371 0.000 1.069 267 M CA 1.756 56.579 55.300 -0.794 0.000 1.117 267 M CB -0.285 31.826 32.600 -0.815 0.000 1.334 267 M HN 0.406 nan 8.290 nan 0.000 0.407 268 L N -0.145 120.984 121.223 -0.156 0.000 2.131 268 L HA -0.198 4.143 4.340 0.001 0.000 0.210 268 L C 2.173 179.064 176.870 0.034 0.000 1.092 268 L CA 1.320 56.148 54.840 -0.020 0.000 0.759 268 L CB -0.739 41.327 42.059 0.011 0.000 0.903 268 L HN 0.403 nan 8.230 nan 0.000 0.435 269 E N 0.121 120.337 120.200 0.027 0.000 2.152 269 E HA -0.166 4.185 4.350 0.001 0.000 0.192 269 E C 2.356 179.006 176.600 0.083 0.000 0.983 269 E CA 0.780 57.215 56.400 0.059 0.000 0.818 269 E CB -0.032 29.710 29.700 0.071 0.000 0.758 269 E HN 0.458 nan 8.360 nan 0.000 0.467 270 L N 0.631 121.910 121.223 0.094 0.000 2.056 270 L HA -0.162 4.179 4.340 0.001 0.000 0.207 270 L C 2.578 179.575 176.870 0.211 0.000 1.078 270 L CA 0.981 55.923 54.840 0.171 0.000 0.749 270 L CB -0.402 41.806 42.059 0.248 0.000 0.901 270 L HN 0.142 nan 8.230 nan 0.000 0.433 271 A N 0.041 123.044 122.820 0.304 0.000 1.940 271 A HA -0.228 4.093 4.320 0.001 0.000 0.219 271 A C 1.969 179.628 177.584 0.125 0.000 1.176 271 A CA 1.982 54.174 52.037 0.259 0.000 0.631 271 A CB -0.575 18.599 19.000 0.290 0.000 0.814 271 A HN 0.423 nan 8.150 nan 0.000 0.446 272 N N -0.217 118.544 118.700 0.102 0.000 2.381 272 N HA -0.006 4.735 4.740 0.001 0.000 0.182 272 N C 1.197 176.741 175.510 0.056 0.000 1.025 272 N CA 0.776 53.866 53.050 0.067 0.000 0.888 272 N CB -0.324 38.196 38.487 0.056 0.000 0.965 272 N HN 0.528 nan 8.380 nan 0.000 0.438 273 L N -1.276 119.987 121.223 0.067 0.000 2.591 273 L HA 0.229 4.570 4.340 0.001 0.000 0.228 273 L C 1.080 177.974 176.870 0.040 0.000 1.133 273 L CA 0.240 55.114 54.840 0.056 0.000 0.880 273 L CB -0.026 42.079 42.059 0.077 0.000 1.033 273 L HN 0.197 nan 8.230 nan 0.000 0.450 274 G N -0.335 108.486 108.800 0.036 0.000 2.168 274 G HA2 -0.211 3.749 3.960 0.001 0.000 0.197 274 G HA3 -0.211 3.749 3.960 0.001 0.000 0.197 274 G C 0.141 175.028 174.900 -0.021 0.000 0.997 274 G CA -0.285 44.820 45.100 0.008 0.000 0.658 274 G HN 0.026 nan 8.290 nan 0.000 0.513 275 V N 0.911 120.808 119.914 -0.028 0.000 2.572 275 V HA 0.279 4.399 4.120 0.001 0.000 0.291 275 V C 1.257 177.226 176.094 -0.207 0.000 1.039 275 V CA 1.008 63.209 62.300 -0.165 0.000 1.055 275 V CB 1.356 33.002 31.823 -0.295 0.000 0.969 275 V HN 0.474 nan 8.190 nan 0.000 0.482 276 E N 2.798 122.869 120.200 -0.214 0.000 2.490 276 E HA 0.429 4.779 4.350 0.001 0.000 0.209 276 E C 0.312 176.877 176.600 -0.059 0.000 0.971 276 E CA 0.323 56.680 56.400 -0.071 0.000 0.988 276 E CB 1.205 30.915 29.700 0.018 0.000 1.029 276 E HN 0.769 nan 8.360 nan 0.000 0.496 277 A N 0.885 123.528 122.820 -0.296 0.000 2.520 277 A HA 0.643 4.963 4.320 0.001 0.000 0.298 277 A C -1.606 175.728 177.584 -0.416 0.000 1.051 277 A CA -0.584 51.340 52.037 -0.189 0.000 0.690 277 A CB 0.810 19.781 19.000 -0.048 0.000 1.281 277 A HN 0.064 nan 8.150 nan 0.000 0.402 278 F N 1.090 121.089 119.950 0.082 0.000 2.427 278 F HA 0.523 5.051 4.527 0.001 0.000 0.348 278 F C 0.762 176.636 175.800 0.124 0.000 1.125 278 F CA -0.319 57.746 58.000 0.107 0.000 0.989 278 F CB 1.962 41.036 39.000 0.122 0.000 1.165 278 F HN 0.648 nan 8.300 nan 0.000 0.442 279 R N 4.883 125.528 120.500 0.242 0.000 2.272 279 R HA 0.386 4.726 4.340 0.001 0.000 0.334 279 R C -1.099 175.346 176.300 0.240 0.000 1.117 279 R CA -0.306 55.906 56.100 0.186 0.000 0.966 279 R CB 0.068 30.405 30.300 0.061 0.000 1.049 279 R HN 0.712 nan 8.270 nan 0.000 0.477 280 L N 5.079 126.428 121.223 0.209 0.000 2.325 280 L HA 0.218 4.558 4.340 0.001 0.000 0.284 280 L C -0.240 176.680 176.870 0.083 0.000 1.089 280 L CA -0.271 54.668 54.840 0.165 0.000 0.836 280 L CB 0.796 42.935 42.059 0.133 0.000 1.184 280 L HN 0.467 nan 8.230 nan 0.000 0.444 281 D N 1.848 122.297 120.400 0.081 0.000 2.175 281 D HA 0.216 4.856 4.640 0.001 0.000 0.248 281 D C 0.559 176.893 176.300 0.058 0.000 1.047 281 D CA -0.256 53.787 54.000 0.072 0.000 0.883 281 D CB 1.815 42.707 40.800 0.154 0.000 1.180 281 D HN 0.461 nan 8.370 nan 0.000 0.438 282 S N -0.156 115.603 115.700 0.098 0.000 3.698 282 S HA -0.199 4.272 4.470 0.001 0.000 0.338 282 S C 1.477 176.227 174.600 0.250 0.000 1.089 282 S CA 1.020 59.380 58.200 0.267 0.000 0.991 282 S CB -1.520 61.867 63.200 0.312 0.000 0.909 282 S HN 0.722 nan 8.310 nan 0.000 0.485 283 T N -1.633 112.983 114.554 0.103 0.000 2.962 283 T HA 0.131 4.482 4.350 0.001 0.000 0.270 283 T C 1.914 176.601 174.700 -0.021 0.000 1.088 283 T CA 1.040 63.145 62.100 0.009 0.000 1.127 283 T CB -0.345 68.544 68.868 0.034 0.000 0.883 283 T HN 0.759 nan 8.240 nan 0.000 0.493 284 A N 0.610 123.429 122.820 -0.002 0.000 2.019 284 A HA 0.028 4.349 4.320 0.001 0.000 0.219 284 A C 1.744 179.155 177.584 -0.288 0.000 1.164 284 A CA 0.912 52.831 52.037 -0.197 0.000 0.644 284 A CB -0.961 17.841 19.000 -0.330 0.000 0.805 284 A HN 0.695 nan 8.150 nan 0.000 0.449 285 Y N -0.481 119.819 120.300 0.000 0.000 2.466 285 Y HA 0.251 4.802 4.550 0.001 0.000 0.272 285 Y C 1.707 177.562 175.900 -0.075 0.000 1.169 285 Y CA -0.153 57.931 58.100 -0.027 0.000 1.285 285 Y CB -0.179 38.301 38.460 0.033 0.000 1.078 285 Y HN 0.158 nan 8.280 nan 0.000 0.523 286 L N -1.123 120.104 121.223 0.007 0.000 2.127 286 L HA -0.199 4.142 4.340 0.001 0.000 0.211 286 L C 0.875 177.785 176.870 0.067 0.000 1.089 286 L CA 1.072 55.847 54.840 -0.108 0.000 0.757 286 L CB -0.057 41.739 42.059 -0.440 0.000 0.899 286 L HN 0.386 nan 8.230 nan 0.000 0.434 287 W N 1.970 123.188 121.300 -0.136 0.000 2.471 287 W HA 0.271 4.932 4.660 0.001 0.000 0.318 287 W C -0.704 175.750 176.519 -0.108 0.000 1.034 287 W CA -0.930 56.364 57.345 -0.085 0.000 1.224 287 W CB 1.460 30.866 29.460 -0.090 0.000 1.335 287 W HN -0.192 nan 8.180 nan 0.000 0.452 288 K N 5.238 125.319 120.400 -0.532 0.000 2.156 288 K HA 0.405 4.726 4.320 0.001 0.000 0.271 288 K C -0.476 176.037 176.600 -0.146 0.000 0.995 288 K CA -0.793 55.269 56.287 -0.374 0.000 0.890 288 K CB 2.326 34.394 32.500 -0.719 0.000 1.073 288 K HN 0.550 nan 8.250 nan 0.000 0.454 289 R N 2.878 123.485 120.500 0.178 0.000 2.514 289 R HA 0.319 4.660 4.340 0.001 0.000 0.296 289 R C -2.742 173.762 176.300 0.340 0.000 1.012 289 R CA -1.631 54.629 56.100 0.267 0.000 0.897 289 R CB 1.571 32.044 30.300 0.289 0.000 1.184 289 R HN 0.271 nan 8.270 nan 0.000 0.440 290 P HA 0.064 nan 4.420 nan 0.000 0.264 290 P C 0.331 177.658 177.300 0.045 0.000 1.183 290 P CA 1.286 64.423 63.100 0.062 0.000 0.763 290 P CB 0.885 32.544 31.700 -0.068 0.000 0.807 291 G N 1.272 110.072 108.800 -0.000 0.000 2.176 291 G HA2 -0.196 3.764 3.960 0.001 0.000 0.253 291 G HA3 -0.196 3.764 3.960 0.001 0.000 0.253 291 G C 0.309 175.246 174.900 0.061 0.000 0.979 291 G CA 0.389 45.495 45.100 0.010 0.000 0.641 291 G HN 0.846 nan 8.290 nan 0.000 0.530 292 T N -2.314 112.315 114.554 0.126 0.000 2.883 292 T HA 0.561 4.912 4.350 0.001 0.000 0.284 292 T C 1.017 175.802 174.700 0.142 0.000 1.041 292 T CA 0.276 62.444 62.100 0.114 0.000 1.007 292 T CB 1.372 70.312 68.868 0.119 0.000 1.220 292 T HN 0.460 nan 8.240 nan 0.000 0.552 293 N N -0.931 117.826 118.700 0.096 0.000 2.515 293 N HA 0.007 4.747 4.740 0.001 0.000 0.191 293 N C 0.620 176.194 175.510 0.107 0.000 1.182 293 N CA -0.083 53.022 53.050 0.092 0.000 0.879 293 N CB -1.557 36.952 38.487 0.037 0.000 0.984 293 N HN 0.761 nan 8.380 nan 0.000 0.453 294 C N -0.257 119.122 119.300 0.130 0.000 4.268 294 C HA -0.188 4.272 4.460 0.001 0.000 0.299 294 C C -0.093 174.894 174.990 -0.004 0.000 1.429 294 C CA 0.210 59.287 59.018 0.099 0.000 2.018 294 C CB -2.705 25.119 27.740 0.139 0.000 1.277 294 C HN 0.594 nan 8.230 nan 0.000 0.767 295 M N 0.159 119.725 119.600 -0.056 0.000 2.446 295 M HA 0.388 4.868 4.480 0.001 0.000 0.294 295 M C 0.438 176.664 176.300 -0.123 0.000 1.158 295 M CA -0.345 54.835 55.300 -0.199 0.000 0.899 295 M CB 1.536 33.956 32.600 -0.299 0.000 1.687 295 M HN 0.247 nan 8.290 nan 0.000 0.455 296 N N 1.040 119.649 118.700 -0.151 0.000 2.735 296 N HA -0.139 4.602 4.740 0.001 0.000 0.248 296 N C -0.876 174.601 175.510 -0.056 0.000 1.083 296 N CA 0.728 53.717 53.050 -0.103 0.000 0.703 296 N CB -0.719 37.727 38.487 -0.067 0.000 1.005 296 N HN 0.660 nan 8.380 nan 0.000 0.550 297 Q N -0.407 119.368 119.800 -0.041 0.000 2.340 297 Q HA 0.180 4.521 4.340 0.001 0.000 0.249 297 Q C -1.155 174.786 176.000 -0.099 0.000 0.957 297 Q CA -1.194 54.594 55.803 -0.024 0.000 0.882 297 Q CB 0.439 29.233 28.738 0.093 0.000 1.235 297 Q HN 0.070 nan 8.270 nan 0.000 0.439 298 P HA -0.178 nan 4.420 nan 0.000 0.217 298 P C 0.523 177.672 177.300 -0.252 0.000 1.148 298 P CA 1.330 64.343 63.100 -0.145 0.000 0.828 298 P CB 0.416 32.014 31.700 -0.171 0.000 0.783 299 E N -0.549 119.366 120.200 -0.476 0.000 2.204 299 E HA -0.108 4.243 4.350 0.001 0.000 0.195 299 E C 2.091 178.422 176.600 -0.449 0.000 0.990 299 E CA 1.245 57.209 56.400 -0.728 0.000 0.821 299 E CB -0.988 27.644 29.700 -1.779 0.000 0.750 299 E HN 0.174 nan 8.360 nan 0.000 0.477 300 A N 0.714 123.353 122.820 -0.302 0.000 1.933 300 A HA -0.223 4.097 4.320 0.001 0.000 0.218 300 A C 1.762 179.115 177.584 -0.385 0.000 1.175 300 A CA 1.486 53.341 52.037 -0.303 0.000 0.628 300 A CB -0.591 18.217 19.000 -0.320 0.000 0.814 300 A HN 0.297 nan 8.150 nan 0.000 0.444 301 H N -0.557 118.365 119.070 -0.247 0.000 2.395 301 H HA -0.057 4.500 4.556 0.001 0.000 0.299 301 H C 2.255 177.476 175.328 -0.178 0.000 1.070 301 H CA 1.785 57.695 56.048 -0.230 0.000 1.356 301 H CB -0.525 29.074 29.762 -0.271 0.000 1.401 301 H HN 0.463 nan 8.280 nan 0.000 0.524 302 T N 1.445 115.929 114.554 -0.117 0.000 2.759 302 T HA -0.100 4.251 4.350 0.001 0.000 0.269 302 T C 2.328 176.962 174.700 -0.110 0.000 1.042 302 T CA 0.963 62.975 62.100 -0.147 0.000 1.140 302 T CB -0.246 68.463 68.868 -0.264 0.000 0.864 302 T HN 0.224 nan 8.240 nan 0.000 0.455 303 I N 0.673 121.167 120.570 -0.125 0.000 2.226 303 I HA -0.135 4.036 4.170 0.001 0.000 0.245 303 I C 2.250 178.415 176.117 0.080 0.000 1.100 303 I CA 1.188 62.494 61.300 0.010 0.000 1.374 303 I CB -0.380 37.558 38.000 -0.104 0.000 1.057 303 I HN 0.204 nan 8.210 nan 0.000 0.413 304 L N -0.318 120.893 121.223 -0.020 0.000 2.093 304 L HA -0.180 4.160 4.340 0.001 0.000 0.208 304 L C 2.624 179.549 176.870 0.092 0.000 1.085 304 L CA 0.904 55.765 54.840 0.036 0.000 0.755 304 L CB -0.641 41.432 42.059 0.023 0.000 0.904 304 L HN 0.094 nan 8.230 nan 0.000 0.435 305 V N 0.372 120.328 119.914 0.071 0.000 2.287 305 V HA -0.340 3.781 4.120 0.001 0.000 0.248 305 V C 2.800 178.966 176.094 0.120 0.000 1.053 305 V CA 1.989 64.337 62.300 0.080 0.000 1.027 305 V CB -0.839 31.006 31.823 0.037 0.000 0.646 305 V HN 0.500 nan 8.190 nan 0.000 0.447 306 A N -0.377 122.534 122.820 0.151 0.000 1.877 306 A HA -0.171 4.149 4.320 0.001 0.000 0.216 306 A C 2.199 180.044 177.584 0.434 0.000 1.186 306 A CA 1.910 54.103 52.037 0.261 0.000 0.620 306 A CB -0.576 18.515 19.000 0.152 0.000 0.822 306 A HN 0.508 nan 8.150 nan 0.000 0.443 307 L N -1.063 120.416 121.223 0.427 0.000 2.046 307 L HA -0.208 4.133 4.340 0.001 0.000 0.208 307 L C 2.761 179.750 176.870 0.199 0.000 1.077 307 L CA 1.748 56.761 54.840 0.290 0.000 0.747 307 L CB -0.485 41.679 42.059 0.176 0.000 0.896 307 L HN 0.428 nan 8.230 nan 0.000 0.432 308 R N 0.968 121.566 120.500 0.164 0.000 2.081 308 R HA -0.139 4.202 4.340 0.001 0.000 0.235 308 R C 2.194 178.553 176.300 0.098 0.000 1.131 308 R CA 1.809 57.981 56.100 0.121 0.000 0.960 308 R CB -0.727 29.622 30.300 0.081 0.000 0.856 308 R HN 0.286 nan 8.270 nan 0.000 0.436 309 A N -0.094 122.792 122.820 0.110 0.000 1.933 309 A HA -0.076 4.244 4.320 0.001 0.000 0.218 309 A C 2.363 180.015 177.584 0.114 0.000 1.175 309 A CA 1.685 53.764 52.037 0.070 0.000 0.628 309 A CB -0.691 18.372 19.000 0.104 0.000 0.814 309 A HN 0.202 nan 8.150 nan 0.000 0.444 310 V N -0.183 119.859 119.914 0.213 0.000 2.295 310 V HA -0.270 3.851 4.120 0.001 0.000 0.246 310 V C 3.072 179.251 176.094 0.141 0.000 1.049 310 V CA 2.024 64.463 62.300 0.231 0.000 1.024 310 V CB -1.199 30.825 31.823 0.334 0.000 0.648 310 V HN 0.622 nan 8.190 nan 0.000 0.447 311 A N -0.315 122.578 122.820 0.121 0.000 1.902 311 A HA -0.259 4.062 4.320 0.001 0.000 0.217 311 A C 1.993 179.631 177.584 0.090 0.000 1.181 311 A CA 1.977 54.081 52.037 0.112 0.000 0.623 311 A CB -0.646 18.441 19.000 0.145 0.000 0.818 311 A HN 0.547 nan 8.150 nan 0.000 0.443 312 D N -0.093 120.318 120.400 0.018 0.000 2.182 312 D HA -0.121 4.520 4.640 0.001 0.000 0.201 312 D C 1.811 178.104 176.300 -0.011 0.000 0.986 312 D CA 1.221 55.147 54.000 -0.124 0.000 0.847 312 D CB -0.218 40.201 40.800 -0.636 0.000 0.942 312 D HN 0.568 nan 8.370 nan 0.000 0.467 313 I N -0.158 120.453 120.570 0.068 0.000 2.339 313 I HA -0.149 4.022 4.170 0.001 0.000 0.245 313 I C 2.239 178.436 176.117 0.133 0.000 1.096 313 I CA 0.514 61.911 61.300 0.161 0.000 1.408 313 I CB 0.172 38.291 38.000 0.198 0.000 1.092 313 I HN -0.147 nan 8.210 nan 0.000 0.423 314 V N 0.149 120.126 119.914 0.105 0.000 2.825 314 V HA 0.226 4.346 4.120 0.001 0.000 0.246 314 V C 0.869 177.009 176.094 0.078 0.000 1.068 314 V CA 0.923 63.271 62.300 0.080 0.000 1.088 314 V CB 0.132 31.991 31.823 0.059 0.000 0.733 314 V HN 0.416 nan 8.190 nan 0.000 0.468 315 A N 0.304 123.179 122.820 0.092 0.000 3.409 315 A HA 0.505 4.826 4.320 0.001 0.000 0.282 315 A C -1.867 175.788 177.584 0.118 0.000 1.064 315 A CA -0.573 51.523 52.037 0.098 0.000 0.889 315 A CB 0.333 19.402 19.000 0.115 0.000 1.251 315 A HN 0.227 nan 8.150 nan 0.000 0.538 316 P HA -0.126 nan 4.420 nan 0.000 0.228 316 P C 1.214 178.609 177.300 0.158 0.000 1.151 316 P CA 1.637 64.818 63.100 0.134 0.000 0.770 316 P CB 0.067 31.841 31.700 0.124 0.000 0.786 317 S N -1.864 113.896 115.700 0.101 0.000 2.603 317 S HA 0.072 4.543 4.470 0.001 0.000 0.220 317 S C 0.895 175.614 174.600 0.199 0.000 0.967 317 S CA -0.258 57.978 58.200 0.059 0.000 0.920 317 S CB -0.902 62.216 63.200 -0.136 0.000 0.773 317 S HN -0.119 nan 8.310 nan 0.000 0.529 318 V N 2.086 122.127 119.914 0.212 0.000 2.732 318 V HA 0.327 4.448 4.120 0.001 0.000 0.297 318 V C 0.101 176.301 176.094 0.177 0.000 1.060 318 V CA -0.499 61.953 62.300 0.253 0.000 1.038 318 V CB 1.558 33.574 31.823 0.321 0.000 1.003 318 V HN 0.310 nan 8.190 nan 0.000 0.481 319 V N 5.444 125.431 119.914 0.120 0.000 2.459 319 V HA 0.451 4.571 4.120 0.001 0.000 0.295 319 V C -0.010 176.184 176.094 0.167 0.000 1.029 319 V CA -0.678 61.513 62.300 -0.182 0.000 0.874 319 V CB 1.745 33.353 31.823 -0.359 0.000 0.985 319 V HN 0.705 nan 8.190 nan 0.000 0.438 320 M N 4.982 124.820 119.600 0.395 0.000 2.129 320 M HA 0.474 4.955 4.480 0.001 0.000 0.348 320 M C -0.487 175.933 176.300 0.201 0.000 1.116 320 M CA -0.270 55.225 55.300 0.325 0.000 1.022 320 M CB 0.981 33.749 32.600 0.280 0.000 1.599 320 M HN 0.590 nan 8.290 nan 0.000 0.449 321 K N 2.132 122.637 120.400 0.174 0.000 2.376 321 K HA 0.701 5.021 4.320 0.001 0.000 0.257 321 K C -0.900 175.767 176.600 0.111 0.000 0.939 321 K CA -0.413 55.941 56.287 0.113 0.000 0.809 321 K CB 1.703 34.265 32.500 0.103 0.000 1.121 321 K HN 0.801 nan 8.250 nan 0.000 0.425 322 A N 3.401 126.240 122.820 0.032 0.000 2.409 322 A HA 0.070 4.391 4.320 0.001 0.000 0.267 322 A C 0.865 178.443 177.584 -0.010 0.000 1.127 322 A CA -0.260 51.710 52.037 -0.112 0.000 0.795 322 A CB 0.576 19.268 19.000 -0.513 0.000 1.061 322 A HN 1.041 nan 8.150 nan 0.000 0.502 323 E N 3.099 123.266 120.200 -0.056 0.000 2.216 323 E HA -0.019 4.332 4.350 0.001 0.000 0.192 323 E C 0.990 177.445 176.600 -0.241 0.000 0.988 323 E CA 0.691 57.016 56.400 -0.125 0.000 0.834 323 E CB -0.089 29.560 29.700 -0.085 0.000 0.772 323 E HN 0.873 nan 8.360 nan 0.000 0.479 324 A N 2.337 125.001 122.820 -0.260 0.000 2.573 324 A HA -0.067 4.254 4.320 0.001 0.000 0.266 324 A C 0.285 177.768 177.584 -0.168 0.000 1.007 324 A CA 0.447 52.345 52.037 -0.232 0.000 0.878 324 A CB -0.372 18.401 19.000 -0.377 0.000 0.886 324 A HN 0.275 nan 8.150 nan 0.000 0.507 325 I N 5.335 125.822 120.570 -0.138 0.000 2.282 325 I HA 0.320 4.491 4.170 0.001 0.000 0.290 325 I C 0.330 176.418 176.117 -0.049 0.000 1.090 325 I CA 0.199 61.437 61.300 -0.104 0.000 1.231 325 I CB -0.439 37.471 38.000 -0.150 0.000 1.434 325 I HN 0.525 nan 8.210 nan 0.000 0.487 326 V N 4.749 124.652 119.914 -0.019 0.000 3.206 326 V HA 0.696 4.816 4.120 0.001 0.000 0.305 326 V C -2.901 173.197 176.094 0.007 0.000 1.257 326 V CA -2.495 59.805 62.300 -0.000 0.000 1.057 326 V CB 1.885 33.719 31.823 0.018 0.000 1.075 326 V HN 0.261 nan 8.190 nan 0.000 0.443 327 P HA 0.166 nan 4.420 nan 0.000 0.265 327 P C 1.243 178.536 177.300 -0.012 0.000 1.193 327 P CA 0.140 63.245 63.100 0.008 0.000 0.765 327 P CB 0.383 32.089 31.700 0.011 0.000 0.823 328 M N 2.385 121.955 119.600 -0.050 0.000 2.195 328 M HA -0.194 4.287 4.480 0.001 0.000 0.260 328 M C 1.551 177.848 176.300 -0.004 0.000 1.066 328 M CA 2.469 57.702 55.300 -0.112 0.000 1.089 328 M CB -1.183 31.248 32.600 -0.282 0.000 1.377 328 M HN 0.226 nan 8.290 nan 0.000 0.411 329 A N 0.895 123.710 122.820 -0.008 0.000 2.125 329 A HA -0.108 4.213 4.320 0.001 0.000 0.219 329 A C 1.742 179.330 177.584 0.007 0.000 1.156 329 A CA 1.567 53.599 52.037 -0.008 0.000 0.671 329 A CB -0.646 18.302 19.000 -0.086 0.000 0.794 329 A HN 0.763 nan 8.150 nan 0.000 0.459 330 E N -0.961 119.252 120.200 0.021 0.000 2.474 330 E HA 0.112 4.463 4.350 0.001 0.000 0.195 330 E C 0.783 177.449 176.600 0.109 0.000 1.039 330 E CA -0.337 56.089 56.400 0.043 0.000 0.881 330 E CB 0.198 29.925 29.700 0.045 0.000 0.970 330 E HN 0.353 nan 8.360 nan 0.000 0.486 331 L N 0.467 121.757 121.223 0.112 0.000 2.249 331 L HA 0.081 4.422 4.340 0.001 0.000 0.207 331 L C -0.972 175.893 176.870 -0.009 0.000 1.090 331 L CA 0.484 55.402 54.840 0.130 0.000 0.802 331 L CB -1.080 41.076 42.059 0.161 0.000 0.947 331 L HN 0.005 nan 8.230 nan 0.000 0.453 332 P HA -0.126 nan 4.420 nan 0.000 0.216 332 P C -1.353 175.899 177.300 -0.081 0.000 1.150 332 P CA 1.519 64.650 63.100 0.050 0.000 0.843 332 P CB -0.927 30.831 31.700 0.097 0.000 0.787 333 P HA -0.161 nan 4.420 nan 0.000 0.219 333 P C 1.069 178.051 177.300 -0.530 0.000 1.146 333 P CA 1.254 64.069 63.100 -0.475 0.000 0.808 333 P CB -0.602 30.667 31.700 -0.719 0.000 0.779 334 Y N -2.403 117.751 120.300 -0.243 0.000 2.421 334 Y HA -0.090 4.460 4.550 0.001 0.000 0.292 334 Y C 1.742 177.527 175.900 -0.192 0.000 1.136 334 Y CA 0.921 58.926 58.100 -0.158 0.000 1.255 334 Y CB -0.963 37.348 38.460 -0.249 0.000 0.991 334 Y HN -0.077 nan 8.280 nan 0.000 0.552 335 F N -0.350 119.628 119.950 0.047 0.000 2.780 335 F HA 0.347 4.875 4.527 0.001 0.000 0.299 335 F C 1.362 177.118 175.800 -0.074 0.000 1.146 335 F CA 0.397 58.371 58.000 -0.043 0.000 1.428 335 F CB -0.471 38.472 39.000 -0.095 0.000 1.115 335 F HN -0.058 nan 8.300 nan 0.000 0.583 336 G N -0.024 108.803 108.800 0.044 0.000 2.770 336 G HA2 0.055 4.016 3.960 0.001 0.000 0.686 336 G HA3 0.055 4.016 3.960 0.001 0.000 0.686 336 G C -0.779 174.092 174.900 -0.049 0.000 1.180 336 G CA -0.921 44.169 45.100 -0.015 0.000 0.767 336 G HN 0.116 nan 8.290 nan 0.000 0.646 337 S N 0.784 116.433 115.700 -0.085 0.000 2.532 337 S HA 0.935 5.406 4.470 0.001 0.000 0.301 337 S C 1.186 175.759 174.600 -0.045 0.000 1.083 337 S CA 0.830 58.980 58.200 -0.083 0.000 1.025 337 S CB 1.417 64.534 63.200 -0.139 0.000 1.056 337 S HN 2.676 nan 8.310 nan 0.000 0.494 338 G N 1.228 110.008 108.800 -0.033 0.000 2.583 338 G HA2 -0.321 3.640 3.960 0.001 0.000 0.292 338 G HA3 -0.321 3.640 3.960 0.001 0.000 0.292 338 G C 0.972 175.878 174.900 0.010 0.000 1.203 338 G CA 0.523 45.612 45.100 -0.018 0.000 0.987 338 G HN 1.628 nan 8.290 nan 0.000 0.554 339 V N -1.263 118.660 119.914 0.016 0.000 3.078 339 V HA 0.031 4.152 4.120 0.001 0.000 0.265 339 V C 2.178 178.345 176.094 0.122 0.000 1.122 339 V CA 2.675 65.006 62.300 0.051 0.000 1.141 339 V CB -0.222 31.612 31.823 0.019 0.000 0.735 339 V HN 0.622 nan 8.190 nan 0.000 0.498 340 Q N 0.647 120.500 119.800 0.089 0.000 2.425 340 Q HA 0.161 4.502 4.340 0.001 0.000 0.204 340 Q C 1.231 177.310 176.000 0.132 0.000 0.933 340 Q CA -0.026 55.861 55.803 0.141 0.000 0.939 340 Q CB -0.060 28.709 28.738 0.050 0.000 1.044 340 Q HN 0.725 nan 8.270 nan 0.000 0.513 341 R N 0.563 121.099 120.500 0.060 0.000 2.502 341 R HA 0.132 4.473 4.340 0.001 0.000 0.292 341 R C 0.750 176.970 176.300 -0.133 0.000 0.998 341 R CA 1.244 57.338 56.100 -0.011 0.000 1.056 341 R CB -0.101 30.189 30.300 -0.017 0.000 0.939 341 R HN 0.407 nan 8.270 nan 0.000 0.411 342 G N 3.431 112.130 108.800 -0.169 0.000 2.159 342 G HA2 -0.251 3.710 3.960 0.001 0.000 0.256 342 G HA3 -0.251 3.710 3.960 0.001 0.000 0.256 342 G C 0.089 174.689 174.900 -0.500 0.000 0.977 342 G CA 0.317 45.214 45.100 -0.338 0.000 0.652 342 G HN 0.792 nan 8.290 nan 0.000 0.531 343 H N -0.583 118.479 119.070 -0.012 0.000 2.637 343 H HA 0.394 4.951 4.556 0.001 0.000 0.245 343 H C 0.914 176.227 175.328 -0.024 0.000 1.190 343 H CA 0.475 56.512 56.048 -0.018 0.000 0.934 343 H CB 0.733 30.506 29.762 0.019 0.000 1.950 343 H HN 0.672 nan 8.280 nan 0.000 0.614 344 E N -0.245 119.973 120.200 0.031 0.000 4.156 344 E HA 0.241 4.592 4.350 0.001 0.000 0.223 344 E C -0.350 176.248 176.600 -0.003 0.000 1.107 344 E CA -0.303 56.127 56.400 0.049 0.000 0.903 344 E CB 0.973 30.724 29.700 0.085 0.000 2.687 344 E HN 0.107 nan 8.360 nan 0.000 0.517 345 C N 1.451 120.798 119.300 0.079 0.000 2.463 345 C HA 0.278 4.739 4.460 0.001 0.000 0.380 345 C C 1.169 176.202 174.990 0.072 0.000 1.264 345 C CA -0.173 58.894 59.018 0.082 0.000 2.161 345 C CB -0.362 27.460 27.740 0.137 0.000 2.515 345 C HN 0.661 nan 8.230 nan 0.000 0.565 346 H N 0.692 119.791 119.070 0.047 0.000 2.403 346 H HA 0.228 4.785 4.556 0.001 0.000 0.298 346 H C 0.145 175.464 175.328 -0.015 0.000 1.059 346 H CA 0.909 56.908 56.048 -0.081 0.000 1.363 346 H CB 0.065 29.476 29.762 -0.585 0.000 1.410 346 H HN 0.441 nan 8.280 nan 0.000 0.528 347 L N -0.197 121.100 121.223 0.123 0.000 2.388 347 L HA 0.740 5.081 4.340 0.001 0.000 0.264 347 L C -0.800 176.143 176.870 0.121 0.000 0.998 347 L CA -1.104 53.797 54.840 0.101 0.000 0.817 347 L CB 2.358 44.351 42.059 -0.110 0.000 1.338 347 L HN 0.072 nan 8.230 nan 0.000 0.414 348 A N 1.106 124.019 122.820 0.155 0.000 2.556 348 A HA 0.717 5.038 4.320 0.001 0.000 0.294 348 A C -1.852 175.919 177.584 0.313 0.000 1.091 348 A CA -0.443 51.676 52.037 0.136 0.000 0.704 348 A CB 1.096 20.067 19.000 -0.048 0.000 1.300 348 A HN 0.537 nan 8.150 nan 0.000 0.406 349 Y N 0.960 121.368 120.300 0.180 0.000 2.319 349 Y HA 0.242 4.793 4.550 0.001 0.000 0.328 349 Y C 0.942 177.004 175.900 0.270 0.000 1.133 349 Y CA 0.331 58.571 58.100 0.233 0.000 1.265 349 Y CB 0.789 39.293 38.460 0.073 0.000 1.218 349 Y HN 0.717 nan 8.280 nan 0.000 0.508 350 H N 2.850 122.100 119.070 0.301 0.000 2.680 350 H HA 0.163 4.720 4.556 0.001 0.000 0.224 350 H C 0.637 175.958 175.328 -0.011 0.000 1.866 350 H CA -0.279 55.720 56.048 -0.082 0.000 1.302 350 H CB 0.119 29.638 29.762 -0.405 0.000 1.709 350 H HN 0.744 nan 8.280 nan 0.000 0.537 351 S N 0.887 116.740 115.700 0.254 0.000 2.399 351 S HA -0.129 4.342 4.470 0.001 0.000 0.231 351 S C 2.103 176.711 174.600 0.013 0.000 1.022 351 S CA 1.387 59.667 58.200 0.134 0.000 0.983 351 S CB 0.221 63.509 63.200 0.146 0.000 0.803 351 S HN 0.558 nan 8.310 nan 0.000 0.480 352 T N 2.598 117.202 114.554 0.083 0.000 2.720 352 T HA -0.066 4.284 4.350 0.001 0.000 0.268 352 T C 1.765 176.467 174.700 0.002 0.000 1.037 352 T CA 1.214 63.357 62.100 0.072 0.000 1.144 352 T CB -0.412 68.509 68.868 0.087 0.000 0.864 352 T HN 0.234 nan 8.240 nan 0.000 0.444 353 L N 1.036 122.233 121.223 -0.044 0.000 2.027 353 L HA 0.043 4.384 4.340 0.001 0.000 0.206 353 L C 2.341 179.016 176.870 -0.325 0.000 1.074 353 L CA 1.647 56.267 54.840 -0.366 0.000 0.745 353 L CB -0.684 40.881 42.059 -0.823 0.000 0.898 353 L HN 0.175 nan 8.230 nan 0.000 0.433 354 M N -0.143 119.241 119.600 -0.359 0.000 2.110 354 M HA -0.269 4.212 4.480 0.001 0.000 0.257 354 M C 2.248 178.422 176.300 -0.211 0.000 1.071 354 M CA 2.589 57.622 55.300 -0.445 0.000 1.096 354 M CB -0.949 31.140 32.600 -0.852 0.000 1.300 354 M HN 0.416 nan 8.290 nan 0.000 0.411 355 A N -0.227 122.515 122.820 -0.130 0.000 1.933 355 A HA 0.015 4.336 4.320 0.001 0.000 0.218 355 A C 2.343 180.011 177.584 0.140 0.000 1.175 355 A CA 2.203 54.261 52.037 0.035 0.000 0.628 355 A CB -1.125 17.900 19.000 0.042 0.000 0.814 355 A HN 0.707 nan 8.150 nan 0.000 0.444 356 A N -0.445 122.362 122.820 -0.022 0.000 1.972 356 A HA 0.151 4.472 4.320 0.001 0.000 0.219 356 A C 2.353 179.786 177.584 -0.252 0.000 1.169 356 A CA 1.806 53.766 52.037 -0.128 0.000 0.635 356 A CB -1.267 17.606 19.000 -0.213 0.000 0.810 356 A HN 0.679 nan 8.150 nan 0.000 0.446 357 G N -1.173 107.457 108.800 -0.283 0.000 2.433 357 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 357 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 357 G C 1.398 176.186 174.900 -0.186 0.000 1.186 357 G CA 0.968 45.858 45.100 -0.350 0.000 0.779 357 G HN 0.671 nan 8.290 nan 0.000 0.543 358 W N 1.237 122.542 121.300 0.008 0.000 2.358 358 W HA -0.011 4.649 4.660 0.000 0.000 0.303 358 W C 3.189 179.876 176.519 0.281 0.000 1.208 358 W CA 1.141 58.581 57.345 0.158 0.000 1.274 358 W CB -0.230 29.284 29.460 0.089 0.000 1.138 358 W HN 0.130 nan 8.180 nan 0.000 0.515 359 S N 0.358 116.287 115.700 0.382 0.000 2.356 359 S HA -0.206 4.265 4.470 0.001 0.000 0.223 359 S C 2.030 176.563 174.600 -0.111 0.000 1.032 359 S CA 1.505 59.768 58.200 0.105 0.000 1.005 359 S CB -1.018 62.153 63.200 -0.048 0.000 0.867 359 S HN 0.285 nan 8.310 nan 0.000 0.449 360 A N 1.227 123.902 122.820 -0.242 0.000 1.908 360 A HA -0.095 4.226 4.320 0.001 0.000 0.218 360 A C 2.141 179.707 177.584 -0.030 0.000 1.181 360 A CA 1.478 53.297 52.037 -0.364 0.000 0.627 360 A CB -0.714 17.772 19.000 -0.856 0.000 0.818 360 A HN 0.405 nan 8.150 nan 0.000 0.445 361 L N -0.447 120.899 121.223 0.206 0.000 2.027 361 L HA -0.019 4.322 4.340 0.001 0.000 0.206 361 L C 2.745 179.743 176.870 0.215 0.000 1.074 361 L CA 2.171 57.260 54.840 0.415 0.000 0.745 361 L CB -0.752 41.573 42.059 0.445 0.000 0.898 361 L HN 0.334 nan 8.230 nan 0.000 0.433 362 A N -0.774 122.090 122.820 0.072 0.000 1.933 362 A HA -0.119 4.202 4.320 0.001 0.000 0.218 362 A C 2.080 179.390 177.584 -0.458 0.000 1.175 362 A CA 1.922 53.655 52.037 -0.508 0.000 0.628 362 A CB -0.771 17.834 19.000 -0.657 0.000 0.814 362 A HN 0.487 nan 8.150 nan 0.000 0.444 363 L N -1.248 119.833 121.223 -0.235 0.000 2.607 363 L HA 0.094 4.435 4.340 0.001 0.000 0.228 363 L C 0.141 176.952 176.870 -0.099 0.000 1.123 363 L CA -0.024 54.701 54.840 -0.192 0.000 0.890 363 L CB -0.268 41.669 42.059 -0.203 0.000 1.103 363 L HN 0.436 nan 8.230 nan 0.000 0.468 364 Q N 1.205 120.997 119.800 -0.013 0.000 2.439 364 Q HA -0.205 4.136 4.340 0.001 0.000 0.325 364 Q C -0.175 175.836 176.000 0.018 0.000 1.372 364 Q CA 0.654 56.502 55.803 0.076 0.000 0.909 364 Q CB -1.208 27.568 28.738 0.063 0.000 1.167 364 Q HN 0.515 nan 8.270 nan 0.000 0.418 365 R N -0.673 119.791 120.500 -0.059 0.000 2.487 365 R HA 0.226 4.567 4.340 0.001 0.000 0.288 365 R C 1.170 177.323 176.300 -0.245 0.000 1.394 365 R CA 0.087 56.109 56.100 -0.130 0.000 1.155 365 R CB 0.880 31.063 30.300 -0.194 0.000 1.156 365 R HN 0.317 nan 8.270 nan 0.000 0.553 366 G N 1.599 110.313 108.800 -0.144 0.000 2.498 366 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 366 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 366 G C 1.068 175.827 174.900 -0.234 0.000 1.119 366 G CA 0.770 45.724 45.100 -0.243 0.000 0.766 366 G HN 0.625 nan 8.290 nan 0.000 0.552 367 D N 1.111 121.428 120.400 -0.138 0.000 2.218 367 D HA -0.122 4.519 4.640 0.001 0.000 0.204 367 D C 2.247 178.448 176.300 -0.164 0.000 0.976 367 D CA 0.345 54.289 54.000 -0.093 0.000 0.853 367 D CB -0.487 40.289 40.800 -0.040 0.000 0.939 367 D HN 0.420 nan 8.370 nan 0.000 0.481 368 I N 0.156 120.554 120.570 -0.287 0.000 2.226 368 I HA -0.245 3.926 4.170 0.001 0.000 0.245 368 I C 2.565 178.463 176.117 -0.365 0.000 1.100 368 I CA 0.826 61.929 61.300 -0.329 0.000 1.374 368 I CB -0.186 37.476 38.000 -0.563 0.000 1.057 368 I HN -0.009 nan 8.210 nan 0.000 0.413 369 L N -0.063 120.785 121.223 -0.624 0.000 2.056 369 L HA -0.207 4.133 4.340 0.001 0.000 0.207 369 L C 2.724 179.225 176.870 -0.615 0.000 1.078 369 L CA 1.027 55.314 54.840 -0.921 0.000 0.749 369 L CB -0.667 40.233 42.059 -1.930 0.000 0.901 369 L HN 0.338 nan 8.230 nan 0.000 0.433 370 Q N 0.567 120.187 119.800 -0.299 0.000 2.077 370 Q HA -0.310 4.031 4.340 0.001 0.000 0.206 370 Q C 1.721 177.752 176.000 0.051 0.000 0.989 370 Q CA 2.588 58.457 55.803 0.110 0.000 0.853 370 Q CB -0.222 28.601 28.738 0.141 0.000 0.907 370 Q HN 0.510 nan 8.270 nan 0.000 0.418 371 D N -0.830 119.582 120.400 0.020 0.000 2.117 371 D HA -0.130 4.511 4.640 0.001 0.000 0.197 371 D C 2.003 178.413 176.300 0.183 0.000 0.987 371 D CA 1.504 55.583 54.000 0.131 0.000 0.829 371 D CB -0.003 40.874 40.800 0.129 0.000 0.961 371 D HN 0.127 nan 8.370 nan 0.000 0.460 372 V N 0.762 120.707 119.914 0.050 0.000 2.287 372 V HA -0.232 3.889 4.120 0.001 0.000 0.248 372 V C 2.444 178.583 176.094 0.074 0.000 1.053 372 V CA 1.178 63.513 62.300 0.057 0.000 1.027 372 V CB -0.417 31.364 31.823 -0.070 0.000 0.646 372 V HN 0.341 nan 8.190 nan 0.000 0.447 373 I N 0.598 121.189 120.570 0.035 0.000 2.226 373 I HA -0.210 3.961 4.170 0.001 0.000 0.245 373 I C 2.728 178.882 176.117 0.061 0.000 1.100 373 I CA 1.940 63.289 61.300 0.082 0.000 1.374 373 I CB -1.742 36.365 38.000 0.179 0.000 1.057 373 I HN 0.320 nan 8.210 nan 0.000 0.413 374 A N 0.037 122.855 122.820 -0.004 0.000 1.978 374 A HA -0.222 4.099 4.320 0.001 0.000 0.220 374 A C 1.767 179.160 177.584 -0.317 0.000 1.170 374 A CA 1.738 53.667 52.037 -0.180 0.000 0.636 374 A CB -1.021 17.800 19.000 -0.299 0.000 0.810 374 A HN 0.615 nan 8.150 nan 0.000 0.448 375 H N -1.099 118.028 119.070 0.094 0.000 2.592 375 H HA 0.315 4.872 4.556 0.001 0.000 0.279 375 H C 0.171 175.568 175.328 0.116 0.000 1.089 375 H CA 0.034 56.141 56.048 0.100 0.000 1.150 375 H CB 0.416 30.239 29.762 0.101 0.000 1.575 375 H HN 0.265 nan 8.280 nan 0.000 0.547 376 S N 2.980 118.804 115.700 0.206 0.000 2.537 376 S HA 0.054 4.525 4.470 0.001 0.000 0.286 376 S C -2.137 172.634 174.600 0.286 0.000 1.299 376 S CA -0.977 57.365 58.200 0.237 0.000 1.067 376 S CB 0.457 63.828 63.200 0.285 0.000 0.864 376 S HN 0.196 nan 8.310 nan 0.000 0.494 377 P HA 0.141 nan 4.420 nan 0.000 0.265 377 P C -2.317 175.190 177.300 0.344 0.000 1.193 377 P CA -1.010 62.292 63.100 0.338 0.000 0.765 377 P CB -0.329 31.618 31.700 0.412 0.000 0.823 378 P HA 0.076 nan 4.420 nan 0.000 0.268 378 P C -0.600 176.699 177.300 -0.000 0.000 1.205 378 P CA 0.239 63.402 63.100 0.104 0.000 0.771 378 P CB 0.636 32.370 31.700 0.056 0.000 0.858 379 L N 5.366 126.513 121.223 -0.127 0.000 2.290 379 L HA 0.307 4.648 4.340 0.001 0.000 0.284 379 L C -1.728 174.937 176.870 -0.341 0.000 1.078 379 L CA -1.940 52.649 54.840 -0.417 0.000 0.815 379 L CB 0.280 42.039 42.059 -0.499 0.000 1.162 379 L HN 0.242 nan 8.230 nan 0.000 0.435 380 P HA 0.155 nan 4.420 nan 0.000 0.271 380 P C -2.478 174.657 177.300 -0.275 0.000 1.233 380 P CA -1.007 61.929 63.100 -0.274 0.000 0.789 380 P CB -0.182 31.366 31.700 -0.253 0.000 0.951 381 P HA -0.019 nan 4.420 nan 0.000 0.267 381 P C -0.138 177.070 177.300 -0.153 0.000 1.200 381 P CA 0.576 63.582 63.100 -0.157 0.000 0.772 381 P CB -0.030 31.604 31.700 -0.109 0.000 0.855 382 N N -1.397 117.226 118.700 -0.128 0.000 2.725 382 N HA -0.157 4.583 4.740 0.001 0.000 0.249 382 N C -0.867 174.699 175.510 0.093 0.000 1.103 382 N CA 0.803 53.844 53.050 -0.015 0.000 0.707 382 N CB -1.969 36.581 38.487 0.106 0.000 1.043 382 N HN 0.356 nan 8.380 nan 0.000 0.553 383 C N -0.437 118.767 119.300 -0.161 0.000 2.802 383 C HA 0.988 5.449 4.460 0.001 0.000 0.307 383 C C 0.551 175.306 174.990 -0.392 0.000 1.222 383 C CA -0.174 58.644 59.018 -0.333 0.000 1.580 383 C CB 1.956 29.095 27.740 -1.003 0.000 2.119 383 C HN 0.603 nan 8.230 nan 0.000 0.479 384 A N 0.659 123.280 122.820 -0.332 0.000 2.536 384 A HA 0.856 5.176 4.320 0.001 0.000 0.293 384 A C -2.265 175.153 177.584 -0.277 0.000 1.119 384 A CA -0.660 51.178 52.037 -0.333 0.000 0.654 384 A CB 0.477 19.423 19.000 -0.089 0.000 1.291 384 A HN 0.852 nan 8.150 nan 0.000 0.439 385 W N 0.008 121.361 121.300 0.088 0.000 2.516 385 W HA 0.616 5.278 4.660 0.002 0.000 0.343 385 W C -0.299 176.210 176.519 -0.016 0.000 1.094 385 W CA -0.782 56.627 57.345 0.107 0.000 1.250 385 W CB 1.057 30.633 29.460 0.193 0.000 1.308 385 W HN 0.310 nan 8.180 nan 0.000 0.588 386 L N 2.847 124.173 121.223 0.172 0.000 2.265 386 L HA 0.346 4.686 4.340 0.001 0.000 0.288 386 L C -0.015 176.970 176.870 0.192 0.000 1.058 386 L CA -0.154 54.655 54.840 -0.051 0.000 0.809 386 L CB 0.438 42.142 42.059 -0.591 0.000 1.179 386 L HN 0.392 nan 8.230 nan 0.000 0.429 387 S N 4.196 120.017 115.700 0.202 0.000 2.509 387 S HA 0.783 5.254 4.470 0.001 0.000 0.297 387 S C -0.724 174.050 174.600 0.290 0.000 1.118 387 S CA -0.444 57.886 58.200 0.216 0.000 1.074 387 S CB 1.628 64.883 63.200 0.093 0.000 1.038 387 S HN 0.521 nan 8.310 nan 0.000 0.498 388 Y N -1.535 118.779 120.300 0.023 0.000 2.670 388 Y HA 0.706 5.257 4.550 0.002 0.000 0.334 388 Y C -0.412 175.430 175.900 -0.097 0.000 1.185 388 Y CA -1.215 56.900 58.100 0.024 0.000 1.053 388 Y CB 0.391 38.922 38.460 0.117 0.000 1.298 388 Y HN 0.214 nan 8.280 nan 0.000 0.459 389 V N 0.138 119.971 119.914 -0.136 0.000 3.013 389 V HA 0.407 4.528 4.120 0.001 0.000 0.238 389 V C 0.408 176.555 176.094 0.088 0.000 1.161 389 V CA 0.403 62.530 62.300 -0.288 0.000 1.170 389 V CB 0.336 31.713 31.823 -0.743 0.000 0.917 389 V HN 0.729 nan 8.190 nan 0.000 0.478 390 R N -0.763 119.859 120.500 0.204 0.000 2.885 390 R HA 0.737 5.077 4.340 0.001 0.000 0.260 390 R C -1.001 175.260 176.300 -0.065 0.000 1.107 390 R CA 0.254 56.410 56.100 0.094 0.000 0.978 390 R CB 1.757 32.111 30.300 0.090 0.000 1.227 390 R HN 0.495 nan 8.270 nan 0.000 0.473 391 C N -1.812 117.126 119.300 -0.602 0.000 3.266 391 C HA 0.407 4.868 4.460 0.001 0.000 0.369 391 C C 1.673 175.983 174.990 -1.133 0.000 1.580 391 C CA -0.656 57.818 59.018 -0.907 0.000 1.165 391 C CB 0.617 28.103 27.740 -0.424 0.000 1.835 391 C HN 1.021 nan 8.230 nan 0.000 0.433 392 H N 0.338 119.041 119.070 -0.613 0.000 2.521 392 H HA 0.138 4.695 4.556 0.002 0.000 0.286 392 H C -0.243 175.102 175.328 0.029 0.000 1.034 392 H CA 1.345 57.337 56.048 -0.093 0.000 1.278 392 H CB -0.445 29.361 29.762 0.074 0.000 1.386 392 H HN 0.666 nan 8.280 nan 0.000 0.567 393 D N 2.026 122.042 120.400 -0.640 0.000 2.437 393 D HA 0.062 4.703 4.640 0.001 0.000 0.259 393 D C 0.273 176.269 176.300 -0.506 0.000 1.118 393 D CA -0.480 53.218 54.000 -0.503 0.000 1.017 393 D CB 1.160 41.568 40.800 -0.653 0.000 1.120 393 D HN 0.346 nan 8.370 nan 0.000 0.541 394 D N -0.270 119.832 120.400 -0.497 0.000 2.368 394 D HA 0.002 4.643 4.640 0.001 0.000 0.240 394 D C 0.384 176.360 176.300 -0.540 0.000 1.169 394 D CA -0.121 53.576 54.000 -0.504 0.000 0.906 394 D CB 0.718 41.173 40.800 -0.576 0.000 1.187 394 D HN 0.278 nan 8.370 nan 0.000 0.435 395 I N 0.496 120.704 120.570 -0.603 0.000 2.581 395 I HA 0.135 4.306 4.170 0.001 0.000 0.285 395 I C 1.239 176.850 176.117 -0.844 0.000 1.129 395 I CA -0.024 60.793 61.300 -0.805 0.000 1.397 395 I CB 0.433 37.701 38.000 -1.220 0.000 1.399 395 I HN 0.378 nan 8.210 nan 0.000 0.537 396 G N 5.933 114.373 108.800 -0.599 0.000 2.393 396 G HA2 0.171 4.132 3.960 0.001 0.000 0.311 396 G HA3 0.171 4.132 3.960 0.001 0.000 0.311 396 G C 0.156 174.853 174.900 -0.337 0.000 1.067 396 G CA -0.477 44.396 45.100 -0.378 0.000 1.000 396 G HN 0.835 nan 8.290 nan 0.000 0.422 397 W N 1.449 122.754 121.300 0.009 0.000 2.519 397 W HA -0.080 4.582 4.660 0.004 0.000 0.266 397 W C 2.430 178.976 176.519 0.045 0.000 1.253 397 W CA 0.409 57.779 57.345 0.042 0.000 1.274 397 W CB 0.154 29.656 29.460 0.071 0.000 1.114 397 W HN 0.683 nan 8.180 nan 0.000 0.596 398 N N 1.766 120.588 118.700 0.204 0.000 2.272 398 N HA -0.187 4.554 4.740 0.001 0.000 0.185 398 N C 1.506 177.074 175.510 0.097 0.000 1.014 398 N CA 2.127 55.258 53.050 0.135 0.000 0.870 398 N CB -1.328 37.212 38.487 0.089 0.000 0.975 398 N HN 0.291 nan 8.380 nan 0.000 0.433 399 V N -2.294 117.665 119.914 0.075 0.000 2.867 399 V HA -0.052 4.069 4.120 0.001 0.000 0.260 399 V C 1.827 177.977 176.094 0.095 0.000 1.099 399 V CA 1.075 63.411 62.300 0.060 0.000 1.122 399 V CB -0.800 31.041 31.823 0.031 0.000 0.708 399 V HN 0.160 nan 8.190 nan 0.000 0.490 400 L N -0.189 121.117 121.223 0.139 0.000 2.769 400 L HA 0.353 4.694 4.340 0.001 0.000 0.240 400 L C 2.038 178.963 176.870 0.092 0.000 1.163 400 L CA 0.916 55.856 54.840 0.167 0.000 0.962 400 L CB -0.289 41.939 42.059 0.281 0.000 1.258 400 L HN 0.375 nan 8.230 nan 0.000 0.513 401 Q N -0.930 118.913 119.800 0.072 0.000 2.061 401 Q HA -0.305 4.035 4.340 0.001 0.000 0.204 401 Q C 1.934 177.921 176.000 -0.022 0.000 0.984 401 Q CA 2.191 58.001 55.803 0.011 0.000 0.846 401 Q CB -0.012 28.748 28.738 0.038 0.000 0.902 401 Q HN 0.696 nan 8.270 nan 0.000 0.421 402 H N -0.038 119.001 119.070 -0.051 0.000 2.321 402 H HA -0.113 4.445 4.556 0.002 0.000 0.300 402 H C 1.559 176.835 175.328 -0.086 0.000 1.087 402 H CA 2.161 58.171 56.048 -0.063 0.000 1.319 402 H CB 0.142 29.880 29.762 -0.041 0.000 1.379 402 H HN 0.254 nan 8.280 nan 0.000 0.501 403 E N -0.023 120.085 120.200 -0.153 0.000 2.150 403 E HA -0.009 4.342 4.350 0.001 0.000 0.193 403 E C 2.238 178.632 176.600 -0.344 0.000 0.985 403 E CA 0.974 57.279 56.400 -0.159 0.000 0.814 403 E CB -0.256 29.530 29.700 0.144 0.000 0.752 403 E HN 0.611 nan 8.360 nan 0.000 0.466 404 A N 0.772 123.214 122.820 -0.630 0.000 2.015 404 A HA 0.019 4.340 4.320 0.001 0.000 0.219 404 A C 2.283 179.469 177.584 -0.663 0.000 1.163 404 A CA 1.370 52.644 52.037 -1.271 0.000 0.646 404 A CB -0.523 17.902 19.000 -0.958 0.000 0.806 404 A HN 0.271 nan 8.150 nan 0.000 0.448 405 A N -0.956 121.623 122.820 -0.401 0.000 2.067 405 A HA 0.392 4.713 4.320 0.001 0.000 0.219 405 A C 1.746 179.195 177.584 -0.225 0.000 1.158 405 A CA 1.499 53.379 52.037 -0.262 0.000 0.661 405 A CB -1.234 17.646 19.000 -0.200 0.000 0.801 405 A HN 2.081 nan 8.150 nan 0.000 0.452 406 G N -1.731 106.918 108.800 -0.251 0.000 2.804 406 G HA2 0.090 4.051 3.960 0.001 0.000 0.230 406 G HA3 0.090 4.051 3.960 0.001 0.000 0.230 406 G C 0.102 174.920 174.900 -0.136 0.000 1.386 406 G CA 0.442 45.454 45.100 -0.146 0.000 0.875 406 G HN 1.779 nan 8.290 nan 0.000 0.557 407 T N -4.208 110.301 114.554 -0.075 0.000 2.654 407 T HA 0.846 5.197 4.350 0.001 0.000 0.289 407 T C 1.541 176.226 174.700 -0.025 0.000 1.062 407 T CA 0.620 62.688 62.100 -0.055 0.000 1.041 407 T CB 1.177 70.018 68.868 -0.044 0.000 1.417 407 T HN 2.213 nan 8.240 nan 0.000 0.510 408 A N -0.029 122.783 122.820 -0.013 0.000 1.969 408 A HA 0.407 4.728 4.320 0.001 0.000 0.218 408 A C 2.285 179.872 177.584 0.005 0.000 1.169 408 A CA 1.657 53.691 52.037 -0.004 0.000 0.635 408 A CB -1.309 17.691 19.000 0.000 0.000 0.810 408 A HN 1.250 nan 8.150 nan 0.000 0.445 409 A N -2.342 120.485 122.820 0.012 0.000 2.169 409 A HA 0.263 4.584 4.320 0.001 0.000 0.210 409 A C 0.821 178.420 177.584 0.025 0.000 1.168 409 A CA 0.201 52.251 52.037 0.022 0.000 0.813 409 A CB 0.216 19.237 19.000 0.035 0.000 0.861 409 A HN 0.330 nan 8.150 nan 0.000 0.481 410 Q N 0.475 120.287 119.800 0.019 0.000 2.327 410 Q HA 0.371 4.712 4.340 0.001 0.000 0.270 410 Q C -2.967 173.047 176.000 0.023 0.000 1.022 410 Q CA -2.303 53.517 55.803 0.027 0.000 0.773 410 Q CB 1.963 30.721 28.738 0.034 0.000 1.251 410 Q HN 0.127 nan 8.270 nan 0.000 0.457 411 P HA 0.133 nan 4.420 nan 0.000 0.271 411 P C -2.269 175.077 177.300 0.078 0.000 1.216 411 P CA -0.882 62.241 63.100 0.038 0.000 0.771 411 P CB 0.095 31.818 31.700 0.038 0.000 0.864 412 P HA 0.168 nan 4.420 nan 0.000 0.273 412 P C -0.866 176.496 177.300 0.104 0.000 1.250 412 P CA 0.209 63.290 63.100 -0.031 0.000 0.793 412 P CB 0.356 32.000 31.700 -0.095 0.000 1.011 413 F N -3.184 116.729 119.950 -0.061 0.000 2.643 413 F HA 0.604 5.131 4.527 0.000 0.000 0.314 413 F C -0.480 175.282 175.800 -0.064 0.000 1.096 413 F CA -1.385 56.577 58.000 -0.064 0.000 0.953 413 F CB 1.137 40.095 39.000 -0.071 0.000 1.345 413 F HN 0.183 nan 8.300 nan 0.000 0.468 414 S N 1.723 117.478 115.700 0.091 0.000 2.420 414 S HA 0.422 4.893 4.470 0.001 0.000 0.313 414 S C 0.569 175.171 174.600 0.003 0.000 1.079 414 S CA -0.721 57.470 58.200 -0.015 0.000 1.104 414 S CB 0.335 63.523 63.200 -0.020 0.000 0.969 414 S HN 0.790 nan 8.310 nan 0.000 0.471 415 L N 4.779 125.973 121.223 -0.050 0.000 2.141 415 L HA -0.016 4.324 4.340 0.001 0.000 0.209 415 L C 2.720 179.480 176.870 -0.184 0.000 1.094 415 L CA 0.995 55.788 54.840 -0.078 0.000 0.763 415 L CB -0.290 41.765 42.059 -0.006 0.000 0.908 415 L HN 0.641 nan 8.230 nan 0.000 0.437 416 R N -0.139 120.296 120.500 -0.108 0.000 2.092 416 R HA -0.179 4.162 4.340 0.001 0.000 0.231 416 R C 2.197 178.428 176.300 -0.114 0.000 1.119 416 R CA 1.236 57.273 56.100 -0.105 0.000 0.970 416 R CB -0.220 30.043 30.300 -0.061 0.000 0.864 416 R HN 0.399 nan 8.270 nan 0.000 0.440 417 E N 0.719 120.863 120.200 -0.093 0.000 2.077 417 E HA -0.158 4.193 4.350 0.001 0.000 0.193 417 E C 1.839 178.370 176.600 -0.115 0.000 0.989 417 E CA 1.209 57.562 56.400 -0.078 0.000 0.800 417 E CB 0.210 29.877 29.700 -0.054 0.000 0.746 417 E HN 0.101 nan 8.360 nan 0.000 0.452 418 V N 1.266 121.063 119.914 -0.196 0.000 2.307 418 V HA -0.243 3.878 4.120 0.001 0.000 0.245 418 V C 2.504 178.414 176.094 -0.306 0.000 1.045 418 V CA 1.800 63.930 62.300 -0.283 0.000 1.024 418 V CB -0.776 30.801 31.823 -0.410 0.000 0.651 418 V HN 0.423 nan 8.190 nan 0.000 0.449 419 A N -1.100 121.414 122.820 -0.511 0.000 1.902 419 A HA -0.276 4.045 4.320 0.001 0.000 0.217 419 A C 2.195 179.768 177.584 -0.019 0.000 1.181 419 A CA 1.869 53.717 52.037 -0.315 0.000 0.623 419 A CB -0.474 18.348 19.000 -0.297 0.000 0.818 419 A HN 0.602 nan 8.150 nan 0.000 0.443 420 Q N -2.029 117.743 119.800 -0.047 0.000 2.167 420 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 420 Q C 1.863 177.851 176.000 -0.020 0.000 0.970 420 Q CA 1.314 57.108 55.803 -0.014 0.000 0.855 420 Q CB -0.230 28.491 28.738 -0.027 0.000 0.911 420 Q HN 0.760 nan 8.270 nan 0.000 0.438 421 F N 0.198 120.030 119.950 -0.197 0.000 2.069 421 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 421 F C 1.633 177.250 175.800 -0.305 0.000 1.113 421 F CA 1.678 59.487 58.000 -0.317 0.000 1.214 421 F CB -0.416 38.283 39.000 -0.502 0.000 0.978 421 F HN 0.044 nan 8.300 nan 0.000 0.474 422 Y N -0.282 120.057 120.300 0.064 0.000 2.421 422 Y HA -0.023 4.529 4.550 0.003 0.000 0.292 422 Y C 2.310 178.186 175.900 -0.040 0.000 1.136 422 Y CA 0.603 58.711 58.100 0.013 0.000 1.255 422 Y CB -0.580 37.975 38.460 0.158 0.000 0.991 422 Y HN 0.171 nan 8.280 nan 0.000 0.552 423 A N -0.194 122.682 122.820 0.092 0.000 2.278 423 A HA 0.051 4.372 4.320 0.001 0.000 0.212 423 A C 0.847 178.421 177.584 -0.017 0.000 1.213 423 A CA 0.492 52.569 52.037 0.067 0.000 0.840 423 A CB -0.593 18.464 19.000 0.094 0.000 0.866 423 A HN 0.510 nan 8.150 nan 0.000 0.489 424 N N -2.142 116.482 118.700 -0.127 0.000 2.740 424 N HA -0.230 4.510 4.740 0.001 0.000 0.248 424 N C 0.501 175.954 175.510 -0.094 0.000 1.062 424 N CA 1.074 54.027 53.050 -0.163 0.000 0.704 424 N CB -1.397 37.031 38.487 -0.097 0.000 0.968 424 N HN 0.577 nan 8.380 nan 0.000 0.547 425 A N -1.406 121.365 122.820 -0.082 0.000 2.308 425 A HA 0.421 4.742 4.320 0.001 0.000 0.217 425 A C 0.457 178.015 177.584 -0.043 0.000 1.216 425 A CA 0.525 52.537 52.037 -0.042 0.000 0.864 425 A CB 0.709 19.695 19.000 -0.023 0.000 0.902 425 A HN 0.158 nan 8.150 nan 0.000 0.499 426 V N 1.570 121.444 119.914 -0.067 0.000 2.448 426 V HA 0.325 4.446 4.120 0.001 0.000 0.295 426 V C -2.541 173.521 176.094 -0.054 0.000 1.025 426 V CA -1.953 60.321 62.300 -0.044 0.000 0.859 426 V CB 1.560 33.371 31.823 -0.020 0.000 0.988 426 V HN 0.146 nan 8.190 nan 0.000 0.431 427 P HA 0.201 nan 4.420 nan 0.000 0.264 427 P C 1.028 178.318 177.300 -0.017 0.000 1.179 427 P CA 1.606 64.696 63.100 -0.016 0.000 0.763 427 P CB 0.504 32.202 31.700 -0.002 0.000 0.806 428 G N 1.162 109.956 108.800 -0.010 0.000 2.268 428 G HA2 -0.279 3.682 3.960 0.001 0.000 0.240 428 G HA3 -0.279 3.682 3.960 0.001 0.000 0.240 428 G C 0.610 175.496 174.900 -0.024 0.000 1.010 428 G CA 0.241 45.343 45.100 0.004 0.000 0.618 428 G HN 0.825 nan 8.290 nan 0.000 0.516 429 S N 0.637 116.248 115.700 -0.147 0.000 2.558 429 S HA 0.329 4.800 4.470 0.001 0.000 0.288 429 S C 1.474 175.900 174.600 -0.289 0.000 1.318 429 S CA 0.709 58.645 58.200 -0.440 0.000 1.056 429 S CB 0.240 62.954 63.200 -0.810 0.000 0.853 429 S HN 1.197 nan 8.310 nan 0.000 0.505 430 Y N 2.811 123.004 120.300 -0.177 0.000 2.523 430 Y HA 0.545 5.096 4.550 0.001 0.000 0.279 430 Y C 0.734 176.591 175.900 -0.073 0.000 1.139 430 Y CA -0.331 57.748 58.100 -0.035 0.000 1.296 430 Y CB -1.042 37.466 38.460 0.080 0.000 1.045 430 Y HN 0.636 nan 8.280 nan 0.000 0.538 431 A N 1.908 124.603 122.820 -0.207 0.000 2.371 431 A HA 0.599 4.920 4.320 0.001 0.000 0.257 431 A C 0.519 178.095 177.584 -0.014 0.000 1.089 431 A CA -0.738 51.293 52.037 -0.009 0.000 0.794 431 A CB 0.405 19.311 19.000 -0.157 0.000 1.029 431 A HN 0.369 nan 8.150 nan 0.000 0.488 432 R N 1.851 122.400 120.500 0.083 0.000 2.772 432 R HA 0.229 4.570 4.340 0.001 0.000 0.358 432 R C 0.469 176.828 176.300 0.097 0.000 1.143 432 R CA 0.184 56.324 56.100 0.067 0.000 1.153 432 R CB 0.528 30.870 30.300 0.069 0.000 1.329 432 R HN 0.833 nan 8.270 nan 0.000 0.615 433 G N 0.090 108.954 108.800 0.108 0.000 2.525 433 G HA2 0.468 4.429 3.960 0.001 0.000 0.287 433 G HA3 0.468 4.429 3.960 0.001 0.000 0.287 433 G C -0.563 174.415 174.900 0.130 0.000 1.350 433 G CA -0.241 44.932 45.100 0.122 0.000 1.039 433 G HN 0.136 nan 8.290 nan 0.000 0.513 434 E N -1.098 119.198 120.200 0.160 0.000 2.356 434 E HA 0.391 4.742 4.350 0.001 0.000 0.275 434 E C -0.968 175.760 176.600 0.213 0.000 0.904 434 E CA -0.654 55.849 56.400 0.172 0.000 0.757 434 E CB 2.204 32.015 29.700 0.185 0.000 1.232 434 E HN 0.386 nan 8.360 nan 0.000 0.442 435 S N 1.418 117.242 115.700 0.207 0.000 2.564 435 S HA 0.192 4.663 4.470 0.001 0.000 0.278 435 S C -0.653 174.137 174.600 0.317 0.000 1.333 435 S CA -0.468 57.889 58.200 0.262 0.000 1.048 435 S CB 0.183 63.507 63.200 0.207 0.000 0.900 435 S HN 0.403 nan 8.310 nan 0.000 0.505 436 F N 5.276 125.342 119.950 0.193 0.000 2.444 436 F HA 0.321 4.849 4.527 0.001 0.000 0.360 436 F C 0.864 176.760 175.800 0.161 0.000 1.106 436 F CA -0.142 57.944 58.000 0.144 0.000 1.170 436 F CB -0.056 38.999 39.000 0.092 0.000 1.113 436 F HN 0.840 nan 8.300 nan 0.000 0.521 444 H N 3.836 123.026 119.070 0.200 0.000 2.582 444 H HA 0.664 5.221 4.556 0.002 0.000 0.345 444 H C 0.854 176.401 175.328 0.365 0.000 1.104 444 H CA 0.782 56.982 56.048 0.252 0.000 1.390 444 H CB 1.614 31.502 29.762 0.210 0.000 1.461 444 H HN 1.012 nan 8.280 nan 0.000 0.551 445 G N 1.316 110.356 108.800 0.399 0.000 2.716 445 G HA2 0.255 4.216 3.960 0.001 0.000 0.251 445 G HA3 0.255 4.216 3.960 0.001 0.000 0.251 445 G C -0.473 174.614 174.900 0.310 0.000 1.224 445 G CA -0.359 44.879 45.100 0.229 0.000 0.891 445 G HN 0.564 nan 8.290 nan 0.000 0.561 446 T N 1.644 116.275 114.554 0.128 0.000 2.809 446 T HA 0.343 4.694 4.350 0.001 0.000 0.284 446 T C -0.160 174.531 174.700 -0.015 0.000 0.992 446 T CA -0.649 61.555 62.100 0.173 0.000 0.957 446 T CB 1.056 70.099 68.868 0.291 0.000 0.942 446 T HN 0.434 nan 8.240 nan 0.000 0.439 447 N N 1.592 120.367 118.700 0.124 0.000 2.508 447 N HA 0.764 5.505 4.740 0.001 0.000 0.285 447 N C 0.337 175.952 175.510 0.175 0.000 1.144 447 N CA -0.059 53.113 53.050 0.204 0.000 0.978 447 N CB 1.690 40.367 38.487 0.316 0.000 1.180 447 N HN 1.049 nan 8.380 nan 0.000 0.484 448 G N 0.049 109.015 108.800 0.277 0.000 2.317 448 G HA2 0.012 3.973 3.960 0.001 0.000 0.445 448 G HA3 0.012 3.973 3.960 0.001 0.000 0.445 448 G C -1.010 173.956 174.900 0.111 0.000 1.486 448 G CA -0.878 44.327 45.100 0.175 0.000 0.991 448 G HN 0.233 nan 8.290 nan 0.000 0.660 449 M N 1.004 120.717 119.600 0.187 0.000 2.255 449 M HA 0.304 4.785 4.480 0.001 0.000 0.336 449 M C 1.846 178.260 176.300 0.190 0.000 1.135 449 M CA -0.213 55.217 55.300 0.216 0.000 1.145 449 M CB 0.897 33.636 32.600 0.232 0.000 1.473 449 M HN 0.605 nan 8.290 nan 0.000 0.462 450 S N 2.299 118.168 115.700 0.282 0.000 2.372 450 S HA -0.207 4.264 4.470 0.001 0.000 0.227 450 S C 1.785 176.601 174.600 0.360 0.000 1.044 450 S CA 1.928 60.382 58.200 0.423 0.000 1.050 450 S CB -0.308 63.185 63.200 0.488 0.000 0.901 450 S HN 0.834 nan 8.310 nan 0.000 0.447 451 A N 1.221 124.195 122.820 0.256 0.000 1.902 451 A HA 0.103 4.424 4.320 0.001 0.000 0.217 451 A C 2.333 180.015 177.584 0.164 0.000 1.181 451 A CA 1.765 53.913 52.037 0.185 0.000 0.623 451 A CB -0.983 18.101 19.000 0.140 0.000 0.818 451 A HN 0.548 nan 8.150 nan 0.000 0.443 452 A N -0.591 122.329 122.820 0.168 0.000 1.968 452 A HA 0.107 4.428 4.320 0.001 0.000 0.217 452 A C 2.096 179.800 177.584 0.200 0.000 1.169 452 A CA 1.238 53.365 52.037 0.151 0.000 0.638 452 A CB -0.458 18.625 19.000 0.139 0.000 0.812 452 A HN 0.458 nan 8.150 nan 0.000 0.446 453 L N -0.133 121.229 121.223 0.232 0.000 2.156 453 L HA -0.091 4.250 4.340 0.001 0.000 0.208 453 L C 2.299 179.544 176.870 0.625 0.000 1.095 453 L CA 1.232 56.267 54.840 0.324 0.000 0.770 453 L CB -0.254 41.759 42.059 -0.076 0.000 0.914 453 L HN 0.413 nan 8.230 nan 0.000 0.439 454 V N -3.862 116.361 119.914 0.516 0.000 3.649 454 V HA 0.443 4.564 4.120 0.001 0.000 0.275 454 V C 1.257 177.389 176.094 0.064 0.000 1.281 454 V CA 0.628 63.166 62.300 0.398 0.000 1.143 454 V CB -0.055 31.892 31.823 0.207 0.000 0.892 454 V HN 0.485 nan 8.190 nan 0.000 0.441 455 G N -0.487 108.418 108.800 0.174 0.000 2.205 455 G HA2 -0.207 3.753 3.960 0.001 0.000 0.180 455 G HA3 -0.207 3.753 3.960 0.001 0.000 0.180 455 G C 0.436 175.328 174.900 -0.014 0.000 1.004 455 G CA 0.151 45.299 45.100 0.080 0.000 0.670 455 G HN 0.412 nan 8.290 nan 0.000 0.496 456 V N 0.829 120.715 119.914 -0.046 0.000 2.307 456 V HA -0.218 3.903 4.120 0.001 0.000 0.245 456 V C 2.708 178.603 176.094 -0.331 0.000 1.045 456 V CA 2.893 65.067 62.300 -0.210 0.000 1.024 456 V CB -0.482 31.245 31.823 -0.161 0.000 0.651 456 V HN 0.565 nan 8.190 nan 0.000 0.449 457 Q N 0.009 119.740 119.800 -0.116 0.000 2.061 457 Q HA -0.250 4.091 4.340 0.001 0.000 0.204 457 Q C 2.271 178.253 176.000 -0.030 0.000 0.984 457 Q CA 2.258 58.040 55.803 -0.034 0.000 0.846 457 Q CB -0.322 28.443 28.738 0.046 0.000 0.902 457 Q HN 0.625 nan 8.270 nan 0.000 0.421 458 A N 0.638 123.456 122.820 -0.004 0.000 1.902 458 A HA -0.126 4.195 4.320 0.001 0.000 0.217 458 A C 2.275 179.878 177.584 0.032 0.000 1.181 458 A CA 1.708 53.742 52.037 -0.006 0.000 0.623 458 A CB -0.971 18.101 19.000 0.121 0.000 0.818 458 A HN 0.574 nan 8.150 nan 0.000 0.443 459 A N -0.690 122.157 122.820 0.045 0.000 1.908 459 A HA -0.202 4.119 4.320 0.001 0.000 0.218 459 A C 1.924 179.588 177.584 0.132 0.000 1.181 459 A CA 1.763 53.852 52.037 0.086 0.000 0.627 459 A CB -0.995 18.002 19.000 -0.005 0.000 0.818 459 A HN 0.778 nan 8.150 nan 0.000 0.445 460 H N -0.872 118.223 119.070 0.042 0.000 2.326 460 H HA -0.096 4.461 4.556 0.002 0.000 0.301 460 H C 2.153 177.474 175.328 -0.012 0.000 1.081 460 H CA 1.190 57.252 56.048 0.023 0.000 1.334 460 H CB -0.031 29.744 29.762 0.021 0.000 1.385 460 H HN 0.591 nan 8.280 nan 0.000 0.504 461 E N 0.167 120.392 120.200 0.041 0.000 2.187 461 E HA -0.206 4.144 4.350 0.001 0.000 0.199 461 E C 1.093 177.618 176.600 -0.126 0.000 1.004 461 E CA 1.359 57.691 56.400 -0.112 0.000 0.813 461 E CB -0.047 29.486 29.700 -0.278 0.000 0.736 461 E HN 0.693 nan 8.360 nan 0.000 0.468 462 H N -1.099 118.023 119.070 0.085 0.000 2.529 462 H HA 0.401 4.959 4.556 0.003 0.000 0.277 462 H C 0.306 175.676 175.328 0.070 0.000 1.004 462 H CA 0.023 56.112 56.048 0.068 0.000 1.167 462 H CB 0.768 30.568 29.762 0.063 0.000 1.445 462 H HN 0.135 nan 8.280 nan 0.000 0.554 463 A N 1.765 124.685 122.820 0.168 0.000 2.511 463 A HA -0.234 4.087 4.320 0.001 0.000 0.297 463 A C -0.170 177.494 177.584 0.133 0.000 1.476 463 A CA 0.992 53.108 52.037 0.131 0.000 0.757 463 A CB -1.607 17.448 19.000 0.091 0.000 1.072 463 A HN 0.517 nan 8.150 nan 0.000 0.413 464 D N -0.638 119.857 120.400 0.158 0.000 2.441 464 D HA 0.660 5.301 4.640 0.001 0.000 0.231 464 D C 0.979 177.345 176.300 0.109 0.000 1.073 464 D CA 0.352 54.427 54.000 0.124 0.000 0.850 464 D CB 1.078 41.957 40.800 0.132 0.000 1.062 464 D HN 0.463 nan 8.370 nan 0.000 0.524 465 A N 3.509 126.382 122.820 0.088 0.000 1.930 465 A HA 0.041 4.362 4.320 0.001 0.000 0.217 465 A C 2.020 179.641 177.584 0.062 0.000 1.175 465 A CA 1.589 53.673 52.037 0.079 0.000 0.627 465 A CB -0.283 18.756 19.000 0.064 0.000 0.815 465 A HN 0.587 nan 8.150 nan 0.000 0.443 466 A N -0.061 122.792 122.820 0.054 0.000 1.898 466 A HA 0.198 4.519 4.320 0.001 0.000 0.216 466 A C 2.468 180.077 177.584 0.041 0.000 1.181 466 A CA 1.924 53.988 52.037 0.045 0.000 0.620 466 A CB -0.923 18.102 19.000 0.042 0.000 0.819 466 A HN 1.000 nan 8.150 nan 0.000 0.442 467 A N -0.291 122.559 122.820 0.048 0.000 1.969 467 A HA 0.245 4.566 4.320 0.001 0.000 0.218 467 A C 2.433 180.018 177.584 0.002 0.000 1.169 467 A CA 1.777 53.836 52.037 0.037 0.000 0.635 467 A CB -0.821 18.223 19.000 0.072 0.000 0.810 467 A HN 0.970 nan 8.150 nan 0.000 0.445 468 A N -0.070 122.761 122.820 0.018 0.000 1.930 468 A HA 0.205 4.526 4.320 0.001 0.000 0.217 468 A C 2.459 180.036 177.584 -0.012 0.000 1.175 468 A CA 1.853 53.883 52.037 -0.012 0.000 0.627 468 A CB -0.882 18.144 19.000 0.043 0.000 0.815 468 A HN 0.979 nan 8.150 nan 0.000 0.443 469 A N -0.259 122.568 122.820 0.012 0.000 1.930 469 A HA -0.121 4.200 4.320 0.001 0.000 0.217 469 A C 2.231 179.810 177.584 -0.008 0.000 1.175 469 A CA 1.362 53.405 52.037 0.011 0.000 0.627 469 A CB -0.416 18.600 19.000 0.025 0.000 0.815 469 A HN 0.533 nan 8.150 nan 0.000 0.443 470 R N -0.556 119.935 120.500 -0.015 0.000 2.092 470 R HA -0.033 4.308 4.340 0.001 0.000 0.231 470 R C 2.468 178.667 176.300 -0.168 0.000 1.119 470 R CA 1.029 57.109 56.100 -0.033 0.000 0.970 470 R CB -0.409 29.899 30.300 0.012 0.000 0.864 470 R HN 0.515 nan 8.270 nan 0.000 0.440 471 A N 0.819 123.536 122.820 -0.173 0.000 1.877 471 A HA -0.127 4.194 4.320 0.001 0.000 0.216 471 A C 2.347 179.854 177.584 -0.128 0.000 1.186 471 A CA 1.427 53.341 52.037 -0.205 0.000 0.620 471 A CB -0.638 18.275 19.000 -0.144 0.000 0.822 471 A HN 0.103 nan 8.150 nan 0.000 0.443 472 V N 0.904 120.777 119.914 -0.069 0.000 2.324 472 V HA -0.302 3.818 4.120 0.001 0.000 0.250 472 V C 2.211 178.276 176.094 -0.049 0.000 1.060 472 V CA 2.399 64.681 62.300 -0.031 0.000 1.042 472 V CB -0.935 30.885 31.823 -0.004 0.000 0.650 472 V HN 0.522 nan 8.190 nan 0.000 0.450 473 D N -0.115 120.246 120.400 -0.065 0.000 2.133 473 D HA -0.180 4.461 4.640 0.001 0.000 0.195 473 D C 2.394 178.616 176.300 -0.129 0.000 0.997 473 D CA 1.415 55.379 54.000 -0.059 0.000 0.840 473 D CB -0.299 40.508 40.800 0.012 0.000 0.947 473 D HN 0.437 nan 8.370 nan 0.000 0.452 474 R N -0.140 120.198 120.500 -0.270 0.000 2.081 474 R HA -0.089 4.252 4.340 0.001 0.000 0.235 474 R C 2.299 178.498 176.300 -0.168 0.000 1.131 474 R CA 0.473 56.369 56.100 -0.340 0.000 0.960 474 R CB -0.439 29.590 30.300 -0.451 0.000 0.856 474 R HN 0.141 nan 8.270 nan 0.000 0.436 475 L N 0.806 121.987 121.223 -0.070 0.000 1.994 475 L HA -0.147 4.193 4.340 0.001 0.000 0.208 475 L C 2.081 179.005 176.870 0.089 0.000 1.071 475 L CA 1.650 56.515 54.840 0.042 0.000 0.745 475 L CB -0.433 41.689 42.059 0.105 0.000 0.892 475 L HN -0.090 nan 8.230 nan 0.000 0.431 476 V N -0.356 119.582 119.914 0.040 0.000 2.407 476 V HA -0.261 3.859 4.120 0.001 0.000 0.248 476 V C 2.518 178.631 176.094 0.032 0.000 1.055 476 V CA 1.644 63.970 62.300 0.043 0.000 1.049 476 V CB -0.758 31.055 31.823 -0.018 0.000 0.662 476 V HN 0.553 nan 8.190 nan 0.000 0.455 477 L N -0.224 120.976 121.223 -0.038 0.000 2.017 477 L HA -0.143 4.197 4.340 0.001 0.000 0.208 477 L C 2.188 179.044 176.870 -0.024 0.000 1.073 477 L CA 1.916 56.718 54.840 -0.063 0.000 0.745 477 L CB -0.531 41.387 42.059 -0.235 0.000 0.894 477 L HN 0.204 nan 8.230 nan 0.000 0.432 478 L N -1.943 119.214 121.223 -0.110 0.000 2.046 478 L HA -0.237 4.103 4.340 0.001 0.000 0.208 478 L C 2.474 179.234 176.870 -0.183 0.000 1.077 478 L CA 1.336 56.047 54.840 -0.216 0.000 0.747 478 L CB -0.738 41.004 42.059 -0.528 0.000 0.896 478 L HN 0.258 nan 8.230 nan 0.000 0.432 479 Y N -0.087 120.192 120.300 -0.035 0.000 2.242 479 Y HA -0.184 4.367 4.550 0.001 0.000 0.291 479 Y C 2.630 178.588 175.900 0.096 0.000 1.137 479 Y CA 1.052 59.167 58.100 0.025 0.000 1.181 479 Y CB -0.596 37.878 38.460 0.024 0.000 0.989 479 Y HN 0.116 nan 8.280 nan 0.000 0.527 480 A N -0.350 122.618 122.820 0.246 0.000 1.892 480 A HA -0.220 4.101 4.320 0.001 0.000 0.218 480 A C 2.412 180.273 177.584 0.460 0.000 1.188 480 A CA 2.263 54.493 52.037 0.322 0.000 0.631 480 A CB -1.316 17.826 19.000 0.238 0.000 0.822 480 A HN 0.244 nan 8.150 nan 0.000 0.447 481 V N 0.021 120.137 119.914 0.337 0.000 2.255 481 V HA -0.277 3.844 4.120 0.001 0.000 0.247 481 V C 2.816 179.016 176.094 0.177 0.000 1.051 481 V CA 2.480 64.940 62.300 0.266 0.000 1.018 481 V CB -1.003 30.888 31.823 0.113 0.000 0.641 481 V HN 0.600 nan 8.190 nan 0.000 0.445 482 S N 0.109 115.865 115.700 0.094 0.000 2.370 482 S HA -0.162 4.309 4.470 0.001 0.000 0.226 482 S C 1.867 176.564 174.600 0.163 0.000 1.033 482 S CA 1.590 59.838 58.200 0.079 0.000 1.011 482 S CB -0.451 62.780 63.200 0.052 0.000 0.852 482 S HN 0.480 nan 8.310 nan 0.000 0.457 483 L N 0.816 122.194 121.223 0.258 0.000 2.362 483 L HA -0.023 4.318 4.340 0.001 0.000 0.219 483 L C 2.355 179.352 176.870 0.212 0.000 1.134 483 L CA 0.827 55.838 54.840 0.286 0.000 0.807 483 L CB -0.438 41.863 42.059 0.403 0.000 0.927 483 L HN 0.326 nan 8.230 nan 0.000 0.447 484 A N -1.305 121.632 122.820 0.195 0.000 2.251 484 A HA 0.147 4.467 4.320 0.001 0.000 0.209 484 A C 1.160 178.708 177.584 -0.060 0.000 1.187 484 A CA 0.148 52.157 52.037 -0.048 0.000 0.823 484 A CB -0.065 18.978 19.000 0.071 0.000 0.846 484 A HN 0.108 nan 8.150 nan 0.000 0.486 485 M N 0.966 120.584 119.600 0.031 0.000 2.247 485 M HA 0.249 4.730 4.480 0.001 0.000 0.326 485 M C -2.507 173.827 176.300 0.056 0.000 1.134 485 M CA -2.515 52.822 55.300 0.062 0.000 1.136 485 M CB 0.063 32.716 32.600 0.090 0.000 1.454 485 M HN -0.033 nan 8.290 nan 0.000 0.467 486 P HA 0.340 nan 4.420 nan 0.000 0.279 486 P C 0.067 177.420 177.300 0.088 0.000 1.318 486 P CA 0.395 63.532 63.100 0.062 0.000 0.819 486 P CB 0.451 32.196 31.700 0.075 0.000 0.927 487 G N 2.339 111.147 108.800 0.014 0.000 2.384 487 G HA2 0.004 3.965 3.960 0.001 0.000 0.113 487 G HA3 0.004 3.965 3.960 0.001 0.000 0.113 487 G C -1.570 173.310 174.900 -0.033 0.000 1.224 487 G CA -0.490 44.610 45.100 0.001 0.000 1.126 487 G HN 0.290 nan 8.290 nan 0.000 0.461 488 V N 3.030 122.909 119.914 -0.059 0.000 2.326 488 V HA 0.544 4.665 4.120 0.001 0.000 0.281 488 V C -2.283 173.802 176.094 -0.015 0.000 1.015 488 V CA -1.217 61.012 62.300 -0.118 0.000 0.823 488 V CB 1.514 33.093 31.823 -0.405 0.000 1.009 488 V HN 0.513 nan 8.190 nan 0.000 0.436 489 P HA 0.325 nan 4.420 nan 0.000 0.281 489 P C -0.848 176.563 177.300 0.185 0.000 1.252 489 P CA -0.415 62.771 63.100 0.143 0.000 0.778 489 P CB 1.190 32.994 31.700 0.173 0.000 0.895 490 L N 5.163 126.533 121.223 0.246 0.000 2.316 490 L HA 0.431 4.772 4.340 0.001 0.000 0.280 490 L C -0.621 176.477 176.870 0.380 0.000 1.006 490 L CA -0.589 54.420 54.840 0.280 0.000 0.836 490 L CB 0.415 42.617 42.059 0.239 0.000 1.221 490 L HN 0.264 nan 8.230 nan 0.000 0.418 491 I N 5.099 125.875 120.570 0.343 0.000 2.416 491 I HA 0.083 4.254 4.170 0.001 0.000 0.288 491 I C -0.610 175.593 176.117 0.144 0.000 1.051 491 I CA -0.459 61.029 61.300 0.314 0.000 1.375 491 I CB 0.520 38.628 38.000 0.181 0.000 1.407 491 I HN 0.513 nan 8.210 nan 0.000 0.516 492 Y N 7.776 128.145 120.300 0.116 0.000 2.377 492 Y HA 0.161 4.712 4.550 0.001 0.000 0.330 492 Y C 0.501 176.301 175.900 -0.166 0.000 1.108 492 Y CA -0.950 57.139 58.100 -0.019 0.000 1.308 492 Y CB 0.766 39.304 38.460 0.129 0.000 1.216 492 Y HN 0.499 nan 8.280 nan 0.000 0.518 493 M N 6.437 125.557 119.600 -0.799 0.000 2.336 493 M HA 0.060 4.541 4.480 0.001 0.000 0.371 493 M C 1.134 177.249 176.300 -0.308 0.000 1.542 493 M CA 2.133 57.040 55.300 -0.654 0.000 0.959 493 M CB -0.608 31.729 32.600 -0.438 0.000 2.033 493 M HN 1.091 nan 8.290 nan 0.000 0.472 494 G N 3.807 112.592 108.800 -0.025 0.000 2.213 494 G HA2 -0.250 3.711 3.960 0.001 0.000 0.236 494 G HA3 -0.250 3.711 3.960 0.001 0.000 0.236 494 G C 0.406 175.344 174.900 0.063 0.000 0.991 494 G CA 0.314 45.429 45.100 0.025 0.000 0.629 494 G HN 0.730 nan 8.290 nan 0.000 0.517 495 D N 1.256 121.695 120.400 0.065 0.000 2.182 495 D HA -0.047 4.593 4.640 0.001 0.000 0.201 495 D C 2.436 178.759 176.300 0.037 0.000 0.986 495 D CA 1.377 55.446 54.000 0.114 0.000 0.847 495 D CB -0.100 40.831 40.800 0.220 0.000 0.942 495 D HN 0.736 nan 8.370 nan 0.000 0.467 496 E N 0.635 120.864 120.200 0.047 0.000 2.472 496 E HA -0.143 4.207 4.350 0.001 0.000 0.200 496 E C 1.342 178.042 176.600 0.166 0.000 1.046 496 E CA 0.561 56.999 56.400 0.065 0.000 0.871 496 E CB -0.251 29.540 29.700 0.152 0.000 0.806 496 E HN 0.359 nan 8.360 nan 0.000 0.533 497 L N -0.400 120.908 121.223 0.142 0.000 3.016 497 L HA 0.444 4.784 4.340 0.001 0.000 0.267 497 L C 0.723 177.649 176.870 0.094 0.000 1.182 497 L CA -0.020 54.892 54.840 0.120 0.000 0.997 497 L CB 0.345 42.456 42.059 0.087 0.000 1.354 497 L HN 0.056 nan 8.230 nan 0.000 0.569 498 A N 1.154 124.033 122.820 0.098 0.000 2.739 498 A HA -0.209 4.112 4.320 0.001 0.000 0.296 498 A C 0.359 178.006 177.584 0.105 0.000 1.488 498 A CA 0.353 52.455 52.037 0.108 0.000 0.746 498 A CB -2.231 16.828 19.000 0.098 0.000 1.047 498 A HN 0.350 nan 8.150 nan 0.000 0.477 499 L N 0.688 121.966 121.223 0.092 0.000 2.525 499 L HA 0.205 4.546 4.340 0.001 0.000 0.278 499 L C -1.056 175.879 176.870 0.108 0.000 1.218 499 L CA -0.894 53.992 54.840 0.077 0.000 0.878 499 L CB 0.339 42.422 42.059 0.040 0.000 1.127 499 L HN 0.403 nan 8.230 nan 0.000 0.492 500 P HA 0.169 nan 4.420 nan 0.000 0.281 500 P C -0.882 176.500 177.300 0.137 0.000 1.281 500 P CA -0.813 62.363 63.100 0.126 0.000 0.811 500 P CB 0.558 32.333 31.700 0.125 0.000 1.154 501 N N 0.448 119.238 118.700 0.150 0.000 2.305 501 N HA 0.001 4.742 4.740 0.001 0.000 0.232 501 N C -0.126 175.479 175.510 0.158 0.000 1.274 501 N CA 0.746 53.897 53.050 0.168 0.000 0.870 501 N CB -0.376 38.212 38.487 0.169 0.000 1.105 501 N HN 0.452 nan 8.380 nan 0.000 0.436 502 D N -0.822 119.689 120.400 0.185 0.000 2.440 502 D HA 0.221 4.862 4.640 0.001 0.000 0.239 502 D C 0.354 176.821 176.300 0.278 0.000 1.084 502 D CA -0.534 53.579 54.000 0.189 0.000 0.843 502 D CB 0.561 41.468 40.800 0.178 0.000 1.097 502 D HN 0.510 nan 8.370 nan 0.000 0.531 503 T N 0.459 115.136 114.554 0.205 0.000 3.086 503 T HA 0.252 4.602 4.350 0.001 0.000 0.250 503 T C 1.723 176.449 174.700 0.042 0.000 1.074 503 T CA 0.379 62.582 62.100 0.172 0.000 0.988 503 T CB 0.280 69.193 68.868 0.076 0.000 0.988 503 T HN 0.245 nan 8.240 nan 0.000 0.530 504 A N 1.752 124.621 122.820 0.082 0.000 2.076 504 A HA -0.033 4.288 4.320 0.001 0.000 0.220 504 A C 1.987 179.549 177.584 -0.037 0.000 1.160 504 A CA 1.410 53.450 52.037 0.005 0.000 0.653 504 A CB -1.199 17.810 19.000 0.014 0.000 0.801 504 A HN 0.896 nan 8.150 nan 0.000 0.455 505 Y N -1.023 119.243 120.300 -0.056 0.000 2.403 505 Y HA 0.002 4.552 4.550 0.001 0.000 0.291 505 Y C 1.543 177.405 175.900 -0.064 0.000 1.143 505 Y CA 1.000 59.026 58.100 -0.124 0.000 1.257 505 Y CB -0.613 37.784 38.460 -0.106 0.000 0.984 505 Y HN 0.152 nan 8.280 nan 0.000 0.550 506 L N 0.598 121.326 121.223 -0.825 0.000 2.191 506 L HA -0.157 4.183 4.340 0.001 0.000 0.212 506 L C 1.028 177.750 176.870 -0.247 0.000 1.103 506 L CA 1.290 55.773 54.840 -0.596 0.000 0.769 506 L CB -0.391 41.364 42.059 -0.506 0.000 0.908 506 L HN 0.284 nan 8.230 nan 0.000 0.438 507 D N -1.067 119.223 120.400 -0.182 0.000 2.340 507 D HA 0.007 4.648 4.640 0.001 0.000 0.217 507 D C 0.280 176.532 176.300 -0.080 0.000 1.081 507 D CA 0.401 54.338 54.000 -0.104 0.000 0.842 507 D CB 0.175 40.925 40.800 -0.083 0.000 0.934 507 D HN 0.155 nan 8.370 nan 0.000 0.511 508 D N 0.480 120.828 120.400 -0.086 0.000 2.392 508 D HA 0.288 4.928 4.640 0.001 0.000 0.228 508 D C 1.090 177.375 176.300 -0.025 0.000 1.074 508 D CA -0.496 53.462 54.000 -0.070 0.000 0.838 508 D CB 1.604 42.334 40.800 -0.117 0.000 1.067 508 D HN -0.088 nan 8.370 nan 0.000 0.511 509 A N 3.941 126.753 122.820 -0.014 0.000 1.986 509 A HA -0.241 4.080 4.320 0.001 0.000 0.220 509 A C 1.869 179.488 177.584 0.060 0.000 1.171 509 A CA 1.630 53.677 52.037 0.016 0.000 0.640 509 A CB -0.360 18.640 19.000 0.000 0.000 0.811 509 A HN 0.700 nan 8.150 nan 0.000 0.451 510 Q N -1.271 118.554 119.800 0.042 0.000 2.331 510 Q HA 0.008 4.349 4.340 0.001 0.000 0.203 510 Q C 1.894 178.029 176.000 0.226 0.000 0.944 510 Q CA 0.827 56.685 55.803 0.091 0.000 0.892 510 Q CB 0.100 28.851 28.738 0.021 0.000 0.983 510 Q HN 0.671 nan 8.270 nan 0.000 0.482 511 R N -0.675 119.884 120.500 0.099 0.000 2.344 511 R HA 0.118 4.459 4.340 0.001 0.000 0.209 511 R C 2.055 178.474 176.300 0.198 0.000 0.886 511 R CA 0.241 56.350 56.100 0.016 0.000 1.040 511 R CB 0.283 30.280 30.300 -0.505 0.000 1.114 511 R HN 0.185 nan 8.270 nan 0.000 0.547 512 R N 1.138 121.772 120.500 0.224 0.000 2.152 512 R HA -0.166 4.174 4.340 0.001 0.000 0.232 512 R C 1.497 177.965 176.300 0.281 0.000 1.117 512 R CA 2.062 58.291 56.100 0.215 0.000 0.981 512 R CB -0.711 29.626 30.300 0.062 0.000 0.870 512 R HN 0.469 nan 8.270 nan 0.000 0.451 513 H N -0.525 118.674 119.070 0.215 0.000 2.524 513 H HA 0.096 4.653 4.556 0.001 0.000 0.282 513 H C 0.203 175.665 175.328 0.223 0.000 1.016 513 H CA 0.569 56.723 56.048 0.177 0.000 1.270 513 H CB 0.089 29.928 29.762 0.128 0.000 1.394 513 H HN 0.222 nan 8.280 nan 0.000 0.568 514 E N 1.274 121.333 120.200 -0.236 0.000 2.028 514 E HA 0.225 4.576 4.350 0.001 0.000 0.266 514 E C 1.297 177.929 176.600 0.053 0.000 0.962 514 E CA -0.340 55.996 56.400 -0.106 0.000 0.784 514 E CB 0.575 30.171 29.700 -0.174 0.000 1.114 514 E HN 0.469 nan 8.360 nan 0.000 0.414 515 G N 4.051 112.921 108.800 0.117 0.000 2.470 515 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 515 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 515 G C 1.245 176.060 174.900 -0.142 0.000 1.121 515 G CA 0.205 45.371 45.100 0.110 0.000 0.766 515 G HN 0.486 nan 8.290 nan 0.000 0.553 516 R N -0.933 119.450 120.500 -0.196 0.000 2.285 516 R HA -0.038 4.303 4.340 0.001 0.000 0.213 516 R C 1.968 177.717 176.300 -0.919 0.000 1.068 516 R CA 0.545 56.290 56.100 -0.593 0.000 1.004 516 R CB -0.234 29.803 30.300 -0.438 0.000 0.873 516 R HN 0.564 nan 8.270 nan 0.000 0.467 517 W N 0.412 121.281 121.300 -0.719 0.000 2.421 517 W HA -0.143 4.518 4.660 0.001 0.000 0.270 517 W C 1.823 177.976 176.519 -0.610 0.000 1.233 517 W CA 0.021 56.945 57.345 -0.701 0.000 1.226 517 W CB -0.177 28.788 29.460 -0.824 0.000 1.121 517 W HN 0.108 nan 8.180 nan 0.000 0.579 518 L N 0.812 121.745 121.223 -0.483 0.000 2.051 518 L HA -0.251 4.090 4.340 0.001 0.000 0.214 518 L C 1.795 178.702 176.870 0.061 0.000 1.076 518 L CA 2.205 57.019 54.840 -0.043 0.000 0.758 518 L CB -0.810 41.302 42.059 0.089 0.000 0.890 518 L HN 0.266 nan 8.230 nan 0.000 0.433 519 H N -2.874 116.249 119.070 0.089 0.000 2.472 519 H HA 0.487 5.043 4.556 0.001 0.000 0.287 519 H C 0.107 175.596 175.328 0.268 0.000 1.112 519 H CA -0.417 55.738 56.048 0.177 0.000 1.021 519 H CB -0.301 29.555 29.762 0.158 0.000 1.635 519 H HN 0.181 nan 8.280 nan 0.000 0.559 520 R N 1.693 122.303 120.500 0.184 0.000 2.886 520 R HA 0.240 4.581 4.340 0.001 0.000 0.306 520 R C -2.815 173.633 176.300 0.247 0.000 1.300 520 R CA -1.627 54.631 56.100 0.263 0.000 1.441 520 R CB 0.861 31.211 30.300 0.083 0.000 1.328 520 R HN 0.339 nan 8.270 nan 0.000 0.629 521 P HA 0.130 nan 4.420 nan 0.000 0.276 521 P C -0.271 177.092 177.300 0.105 0.000 1.244 521 P CA -0.282 62.899 63.100 0.135 0.000 0.801 521 P CB 0.953 32.714 31.700 0.101 0.000 1.006 522 A N 2.301 125.165 122.820 0.075 0.000 2.407 522 A HA 0.340 4.661 4.320 0.001 0.000 0.248 522 A C 0.521 178.088 177.584 -0.028 0.000 1.082 522 A CA -0.308 51.759 52.037 0.050 0.000 0.785 522 A CB -0.376 18.649 19.000 0.041 0.000 1.020 522 A HN 0.612 nan 8.150 nan 0.000 0.489 523 M N 2.615 122.160 119.600 -0.091 0.000 2.238 523 M HA 0.404 4.885 4.480 0.001 0.000 0.350 523 M C 0.249 176.281 176.300 -0.447 0.000 1.321 523 M CA -0.010 55.072 55.300 -0.364 0.000 1.097 523 M CB 0.119 32.317 32.600 -0.669 0.000 1.713 523 M HN 0.796 nan 8.290 nan 0.000 0.455 524 A N 5.790 128.373 122.820 -0.395 0.000 2.366 524 A HA 0.324 4.645 4.320 0.001 0.000 0.322 524 A C -0.046 177.345 177.584 -0.323 0.000 1.397 524 A CA -0.576 51.313 52.037 -0.246 0.000 0.984 524 A CB -0.619 18.311 19.000 -0.116 0.000 1.149 524 A HN 1.125 nan 8.150 nan 0.000 0.540 525 W N 1.119 122.354 121.300 -0.108 0.000 2.595 525 W HA -0.092 4.569 4.660 0.002 0.000 0.257 525 W C 2.230 178.694 176.519 -0.092 0.000 1.267 525 W CA 0.863 58.121 57.345 -0.145 0.000 1.300 525 W CB 0.422 29.773 29.460 -0.181 0.000 1.120 525 W HN 0.865 nan 8.180 nan 0.000 0.618 526 E N 0.827 121.084 120.200 0.095 0.000 2.208 526 E HA -0.144 4.207 4.350 0.001 0.000 0.193 526 E C 1.696 178.311 176.600 0.024 0.000 0.988 526 E CA 1.118 57.553 56.400 0.058 0.000 0.828 526 E CB -0.839 28.884 29.700 0.038 0.000 0.763 526 E HN 0.342 nan 8.360 nan 0.000 0.478 527 L N 0.719 121.936 121.223 -0.012 0.000 2.131 527 L HA 0.055 4.396 4.340 0.001 0.000 0.206 527 L C 2.813 179.667 176.870 -0.027 0.000 1.087 527 L CA 0.856 55.684 54.840 -0.020 0.000 0.767 527 L CB -0.510 41.531 42.059 -0.031 0.000 0.917 527 L HN 0.142 nan 8.230 nan 0.000 0.441 528 A N 0.386 123.175 122.820 -0.051 0.000 1.978 528 A HA -0.162 4.158 4.320 0.001 0.000 0.220 528 A C 2.431 180.042 177.584 0.045 0.000 1.170 528 A CA 1.648 53.685 52.037 -0.000 0.000 0.636 528 A CB -0.548 18.405 19.000 -0.078 0.000 0.810 528 A HN 0.393 nan 8.150 nan 0.000 0.448 529 A N -1.088 121.770 122.820 0.063 0.000 2.168 529 A HA -0.062 4.259 4.320 0.001 0.000 0.215 529 A C 1.835 179.427 177.584 0.013 0.000 1.152 529 A CA 1.219 53.292 52.037 0.059 0.000 0.716 529 A CB -0.310 18.732 19.000 0.069 0.000 0.794 529 A HN 0.660 nan 8.150 nan 0.000 0.465 530 Q N -0.718 119.069 119.800 -0.020 0.000 2.319 530 Q HA 0.028 4.368 4.340 0.001 0.000 0.202 530 Q C 1.699 177.643 176.000 -0.093 0.000 0.896 530 Q CA 0.150 55.938 55.803 -0.026 0.000 0.942 530 Q CB 0.164 28.900 28.738 -0.004 0.000 1.083 530 Q HN 0.837 nan 8.270 nan 0.000 0.510 531 R N -0.231 120.116 120.500 -0.256 0.000 2.285 531 R HA -0.100 4.241 4.340 0.001 0.000 0.213 531 R C 0.608 176.618 176.300 -0.483 0.000 1.068 531 R CA 1.146 56.958 56.100 -0.481 0.000 1.004 531 R CB -0.065 29.606 30.300 -1.047 0.000 0.873 531 R HN 0.327 nan 8.270 nan 0.000 0.467 532 H N -0.213 118.809 119.070 -0.079 0.000 2.652 532 H HA 0.143 4.700 4.556 0.001 0.000 0.274 532 H C -0.434 174.905 175.328 0.018 0.000 1.021 532 H CA -0.346 55.698 56.048 -0.007 0.000 1.187 532 H CB 0.350 30.105 29.762 -0.011 0.000 1.505 532 H HN 0.176 nan 8.280 nan 0.000 0.530 533 D N 1.183 121.633 120.400 0.084 0.000 2.411 533 D HA 0.199 4.840 4.640 0.001 0.000 0.225 533 D C 1.178 177.513 176.300 0.059 0.000 1.156 533 D CA -0.199 53.842 54.000 0.067 0.000 0.874 533 D CB 0.915 41.742 40.800 0.046 0.000 1.034 533 D HN 0.174 nan 8.370 nan 0.000 0.502 534 A N 2.899 125.758 122.820 0.065 0.000 2.178 534 A HA -0.137 4.184 4.320 0.001 0.000 0.218 534 A C 1.849 179.462 177.584 0.048 0.000 1.157 534 A CA 1.471 53.543 52.037 0.059 0.000 0.689 534 A CB -0.239 18.793 19.000 0.055 0.000 0.787 534 A HN 0.522 nan 8.150 nan 0.000 0.465 535 S N -0.856 114.870 115.700 0.043 0.000 2.605 535 S HA 0.144 4.615 4.470 0.001 0.000 0.217 535 S C 0.742 175.366 174.600 0.040 0.000 0.958 535 S CA 0.458 58.681 58.200 0.039 0.000 0.919 535 S CB -0.789 62.431 63.200 0.033 0.000 0.780 535 S HN 0.673 nan 8.310 nan 0.000 0.507 536 T N -1.320 113.259 114.554 0.043 0.000 2.950 536 T HA 0.614 4.965 4.350 0.001 0.000 0.288 536 T C 0.767 175.501 174.700 0.057 0.000 1.035 536 T CA -0.803 61.324 62.100 0.044 0.000 1.028 536 T CB 1.314 70.203 68.868 0.034 0.000 1.109 536 T HN 0.031 nan 8.240 nan 0.000 0.514 537 L N 1.909 123.175 121.223 0.071 0.000 1.994 537 L HA 0.163 4.504 4.340 0.001 0.000 0.208 537 L C 2.797 179.713 176.870 0.077 0.000 1.071 537 L CA 2.553 57.446 54.840 0.088 0.000 0.745 537 L CB -1.528 40.609 42.059 0.130 0.000 0.892 537 L HN 0.939 nan 8.230 nan 0.000 0.431 538 A N -0.435 122.425 122.820 0.067 0.000 1.917 538 A HA -0.145 4.176 4.320 0.001 0.000 0.219 538 A C 2.326 179.950 177.584 0.067 0.000 1.182 538 A CA 1.872 53.946 52.037 0.061 0.000 0.633 538 A CB -1.674 17.343 19.000 0.028 0.000 0.819 538 A HN 0.575 nan 8.150 nan 0.000 0.448 539 G N -1.647 107.180 108.800 0.046 0.000 2.403 539 G HA2 -0.070 3.891 3.960 0.001 0.000 0.216 539 G HA3 -0.070 3.891 3.960 0.001 0.000 0.216 539 G C 1.555 176.510 174.900 0.092 0.000 1.154 539 G CA 1.547 46.678 45.100 0.052 0.000 0.784 539 G HN 0.436 nan 8.290 nan 0.000 0.538 540 T N 0.913 115.511 114.554 0.074 0.000 2.708 540 T HA -0.104 4.247 4.350 0.001 0.000 0.266 540 T C 2.570 177.306 174.700 0.060 0.000 1.037 540 T CA 1.284 63.422 62.100 0.063 0.000 1.146 540 T CB -0.262 68.636 68.868 0.050 0.000 0.865 540 T HN 0.051 nan 8.240 nan 0.000 0.435 541 V N 0.373 120.328 119.914 0.069 0.000 2.261 541 V HA -0.170 3.951 4.120 0.001 0.000 0.246 541 V C 2.007 178.132 176.094 0.051 0.000 1.047 541 V CA 1.699 64.030 62.300 0.052 0.000 1.015 541 V CB -0.739 31.121 31.823 0.062 0.000 0.642 541 V HN 0.503 nan 8.190 nan 0.000 0.446 542 Y N 1.385 121.667 120.300 -0.030 0.000 2.128 542 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 542 Y C 2.691 178.566 175.900 -0.041 0.000 1.154 542 Y CA 2.420 60.490 58.100 -0.049 0.000 1.149 542 Y CB -0.462 37.954 38.460 -0.073 0.000 0.976 542 Y HN 0.240 nan 8.280 nan 0.000 0.505 543 T N 0.513 115.167 114.554 0.166 0.000 2.788 543 T HA -0.159 4.192 4.350 0.001 0.000 0.268 543 T C 1.825 176.511 174.700 -0.024 0.000 1.044 543 T CA 1.732 63.889 62.100 0.096 0.000 1.139 543 T CB -0.200 68.742 68.868 0.122 0.000 0.867 543 T HN 0.351 nan 8.240 nan 0.000 0.454 544 R N 0.368 120.847 120.500 -0.035 0.000 2.090 544 R HA 0.144 4.485 4.340 0.001 0.000 0.228 544 R C 2.444 178.671 176.300 -0.123 0.000 1.110 544 R CA 0.809 56.866 56.100 -0.071 0.000 0.973 544 R CB -0.412 29.857 30.300 -0.053 0.000 0.869 544 R HN 0.343 nan 8.270 nan 0.000 0.440 545 L N 0.217 121.350 121.223 -0.151 0.000 2.056 545 L HA -0.139 4.201 4.340 0.001 0.000 0.207 545 L C 2.573 179.316 176.870 -0.212 0.000 1.078 545 L CA 1.034 55.760 54.840 -0.190 0.000 0.749 545 L CB -0.365 41.543 42.059 -0.251 0.000 0.901 545 L HN 0.100 nan 8.230 nan 0.000 0.433 546 R N 0.256 120.587 120.500 -0.281 0.000 2.105 546 R HA -0.132 4.209 4.340 0.001 0.000 0.239 546 R C 2.277 178.506 176.300 -0.118 0.000 1.135 546 R CA 1.467 57.426 56.100 -0.235 0.000 0.967 546 R CB -0.856 29.297 30.300 -0.245 0.000 0.861 546 R HN 0.377 nan 8.270 nan 0.000 0.442 547 A N 1.003 123.758 122.820 -0.109 0.000 1.883 547 A HA -0.141 4.180 4.320 0.001 0.000 0.217 547 A C 2.399 179.914 177.584 -0.115 0.000 1.186 547 A CA 1.270 53.253 52.037 -0.090 0.000 0.624 547 A CB -0.589 18.350 19.000 -0.102 0.000 0.822 547 A HN 0.229 nan 8.150 nan 0.000 0.444 548 L N -0.753 120.359 121.223 -0.186 0.000 2.056 548 L HA -0.142 4.199 4.340 0.001 0.000 0.207 548 L C 2.482 179.362 176.870 0.016 0.000 1.078 548 L CA 1.135 55.822 54.840 -0.256 0.000 0.749 548 L CB -0.514 41.333 42.059 -0.353 0.000 0.901 548 L HN 0.367 nan 8.230 nan 0.000 0.433 549 I N -0.429 120.144 120.570 0.005 0.000 2.226 549 I HA -0.306 3.865 4.170 0.001 0.000 0.245 549 I C 2.858 179.015 176.117 0.067 0.000 1.100 549 I CA 1.223 62.555 61.300 0.053 0.000 1.374 549 I CB -0.360 37.633 38.000 -0.012 0.000 1.057 549 I HN 0.238 nan 8.210 nan 0.000 0.413 550 R N 1.359 121.880 120.500 0.035 0.000 2.073 550 R HA -0.169 4.171 4.340 0.001 0.000 0.234 550 R C 2.348 178.701 176.300 0.089 0.000 1.134 550 R CA 1.511 57.639 56.100 0.046 0.000 0.952 550 R CB -0.225 30.090 30.300 0.025 0.000 0.850 550 R HN 0.314 nan 8.270 nan 0.000 0.433 551 L N 0.299 121.604 121.223 0.136 0.000 2.017 551 L HA -0.170 4.171 4.340 0.001 0.000 0.208 551 L C 2.930 179.950 176.870 0.249 0.000 1.073 551 L CA 1.638 56.615 54.840 0.229 0.000 0.745 551 L CB -0.556 41.720 42.059 0.362 0.000 0.894 551 L HN 0.300 nan 8.230 nan 0.000 0.432 552 R N 0.569 121.260 120.500 0.318 0.000 2.096 552 R HA -0.232 4.109 4.340 0.001 0.000 0.240 552 R C 2.233 178.559 176.300 0.043 0.000 1.139 552 R CA 1.757 57.949 56.100 0.154 0.000 0.952 552 R CB -0.315 30.103 30.300 0.196 0.000 0.854 552 R HN 0.348 nan 8.270 nan 0.000 0.436 553 A N -0.144 122.715 122.820 0.064 0.000 2.019 553 A HA -0.038 4.283 4.320 0.001 0.000 0.219 553 A C 2.039 179.636 177.584 0.021 0.000 1.164 553 A CA 1.516 53.574 52.037 0.036 0.000 0.644 553 A CB -0.593 18.433 19.000 0.044 0.000 0.805 553 A HN 0.585 nan 8.150 nan 0.000 0.449 554 G N -1.274 107.546 108.800 0.033 0.000 3.189 554 G HA2 0.426 4.387 3.960 0.001 0.000 0.225 554 G HA3 0.426 4.387 3.960 0.001 0.000 0.225 554 G C 0.163 175.065 174.900 0.004 0.000 1.159 554 G CA -0.221 44.893 45.100 0.023 0.000 0.763 554 G HN 0.332 nan 8.290 nan 0.000 0.549 555 L N 0.866 122.072 121.223 -0.029 0.000 2.337 555 L HA 0.306 4.646 4.340 0.001 0.000 0.269 555 L C -1.743 175.057 176.870 -0.116 0.000 1.018 555 L CA -1.898 52.895 54.840 -0.080 0.000 0.876 555 L CB 2.595 44.559 42.059 -0.159 0.000 1.236 555 L HN -0.123 nan 8.230 nan 0.000 0.436 556 P HA -0.191 nan 4.420 nan 0.000 0.220 556 P C 1.435 178.671 177.300 -0.106 0.000 1.144 556 P CA 0.928 63.979 63.100 -0.081 0.000 0.800 556 P CB 0.346 32.012 31.700 -0.056 0.000 0.772 557 A N -1.239 121.506 122.820 -0.124 0.000 2.070 557 A HA -0.130 4.191 4.320 0.001 0.000 0.220 557 A C 1.785 179.242 177.584 -0.212 0.000 1.159 557 A CA 1.300 53.260 52.037 -0.129 0.000 0.656 557 A CB -1.263 17.689 19.000 -0.079 0.000 0.800 557 A HN 0.121 nan 8.150 nan 0.000 0.453 558 L N -0.856 120.191 121.223 -0.293 0.000 2.558 558 L HA 0.289 4.630 4.340 0.001 0.000 0.225 558 L C 1.537 178.293 176.870 -0.191 0.000 1.128 558 L CA 0.474 55.116 54.840 -0.330 0.000 0.868 558 L CB -0.805 40.991 42.059 -0.439 0.000 1.006 558 L HN 0.326 nan 8.230 nan 0.000 0.454 559 A N -0.427 122.303 122.820 -0.150 0.000 2.507 559 A HA 0.340 4.661 4.320 0.001 0.000 0.235 559 A C 1.648 179.157 177.584 -0.126 0.000 1.070 559 A CA 0.576 52.536 52.037 -0.128 0.000 0.768 559 A CB 0.173 19.105 19.000 -0.114 0.000 1.011 559 A HN 0.343 nan 8.150 nan 0.000 0.502 560 A N 0.984 123.715 122.820 -0.149 0.000 2.121 560 A HA 0.001 4.322 4.320 0.001 0.000 0.218 560 A C 1.995 179.490 177.584 -0.148 0.000 1.154 560 A CA 2.023 53.969 52.037 -0.151 0.000 0.679 560 A CB -1.078 17.794 19.000 -0.214 0.000 0.795 560 A HN 1.369 nan 8.150 nan 0.000 0.458 561 T N -2.616 111.852 114.554 -0.142 0.000 3.072 561 T HA 0.031 4.382 4.350 0.001 0.000 0.266 561 T C 0.752 175.404 174.700 -0.080 0.000 1.127 561 T CA 0.350 62.380 62.100 -0.117 0.000 1.107 561 T CB -0.119 68.685 68.868 -0.107 0.000 0.910 561 T HN 0.376 nan 8.240 nan 0.000 0.513 562 Q N 2.461 122.218 119.800 -0.071 0.000 2.214 562 Q HA 0.471 4.812 4.340 0.001 0.000 0.251 562 Q C 0.320 176.308 176.000 -0.020 0.000 0.936 562 Q CA -0.336 55.441 55.803 -0.044 0.000 0.894 562 Q CB 1.704 30.411 28.738 -0.051 0.000 1.252 562 Q HN 0.559 nan 8.270 nan 0.000 0.448 563 S N 0.808 116.511 115.700 0.005 0.000 2.580 563 S HA 0.326 4.797 4.470 0.001 0.000 0.266 563 S C -0.084 174.545 174.600 0.049 0.000 1.354 563 S CA -0.645 57.572 58.200 0.029 0.000 1.008 563 S CB 0.441 63.664 63.200 0.038 0.000 0.898 563 S HN 0.477 nan 8.310 nan 0.000 0.555 564 L N 1.285 122.552 121.223 0.072 0.000 2.376 564 L HA 0.853 5.194 4.340 0.001 0.000 0.275 564 L C -0.110 176.812 176.870 0.087 0.000 0.987 564 L CA 0.141 55.036 54.840 0.092 0.000 0.828 564 L CB 1.223 43.363 42.059 0.134 0.000 1.249 564 L HN 1.032 nan 8.230 nan 0.000 0.409 565 G N 1.972 110.818 108.800 0.077 0.000 2.642 565 G HA2 0.668 4.629 3.960 0.001 0.000 0.293 565 G HA3 0.668 4.629 3.960 0.001 0.000 0.293 565 G C -1.568 173.361 174.900 0.048 0.000 1.341 565 G CA -0.203 44.932 45.100 0.059 0.000 0.916 565 G HN 0.831 nan 8.290 nan 0.000 0.474 566 S N -1.327 114.397 115.700 0.039 0.000 2.568 566 S HA 0.759 5.229 4.470 0.001 0.000 0.302 566 S C -0.962 173.647 174.600 0.014 0.000 1.082 566 S CA -0.734 57.490 58.200 0.039 0.000 1.009 566 S CB 2.062 65.323 63.200 0.101 0.000 1.069 566 S HN 0.779 nan 8.310 nan 0.000 0.500 567 V N 2.139 122.049 119.914 -0.008 0.000 2.376 567 V HA 0.677 4.798 4.120 0.001 0.000 0.287 567 V C 0.563 176.661 176.094 0.008 0.000 1.015 567 V CA -0.698 61.597 62.300 -0.008 0.000 0.834 567 V CB 0.792 32.590 31.823 -0.042 0.000 1.001 567 V HN 1.209 nan 8.190 nan 0.000 0.428 568 A N 6.853 129.685 122.820 0.020 0.000 2.520 568 A HA 0.601 4.922 4.320 0.001 0.000 0.245 568 A C -0.320 177.274 177.584 0.018 0.000 1.072 568 A CA 0.282 52.336 52.037 0.029 0.000 0.761 568 A CB -0.041 18.973 19.000 0.024 0.000 1.004 568 A HN 0.802 nan 8.150 nan 0.000 0.499 569 L N 2.245 123.484 121.223 0.027 0.000 2.333 569 L HA 0.520 4.861 4.340 0.001 0.000 0.269 569 L C 1.650 178.532 176.870 0.020 0.000 1.010 569 L CA -0.586 54.263 54.840 0.016 0.000 0.818 569 L CB 1.905 43.974 42.059 0.017 0.000 1.306 569 L HN 0.819 nan 8.230 nan 0.000 0.430 570 G N -0.635 108.172 108.800 0.012 0.000 2.470 570 G HA2 -0.157 3.804 3.960 0.001 0.000 0.220 570 G HA3 -0.157 3.804 3.960 0.001 0.000 0.220 570 G C 0.324 175.232 174.900 0.013 0.000 1.121 570 G CA 0.349 45.455 45.100 0.011 0.000 0.766 570 G HN 0.624 nan 8.290 nan 0.000 0.553 571 D N -0.129 120.282 120.400 0.018 0.000 2.233 571 D HA 0.504 5.144 4.640 0.001 0.000 0.240 571 D C 1.204 177.521 176.300 0.028 0.000 1.074 571 D CA -0.173 53.838 54.000 0.019 0.000 0.838 571 D CB 1.717 42.527 40.800 0.018 0.000 1.124 571 D HN -0.012 nan 8.370 nan 0.000 0.475 572 A N 4.505 127.336 122.820 0.018 0.000 2.172 572 A HA -0.103 4.218 4.320 0.001 0.000 0.216 572 A C 1.883 179.479 177.584 0.019 0.000 1.154 572 A CA 0.810 52.854 52.037 0.011 0.000 0.701 572 A CB -0.087 18.911 19.000 -0.005 0.000 0.789 572 A HN 0.609 nan 8.150 nan 0.000 0.465 573 R N -0.950 119.572 120.500 0.037 0.000 2.236 573 R HA 0.204 4.545 4.340 0.001 0.000 0.208 573 R C -0.021 176.363 176.300 0.141 0.000 1.036 573 R CA 0.193 56.334 56.100 0.068 0.000 1.001 573 R CB -0.169 30.156 30.300 0.041 0.000 0.896 573 R HN 0.416 nan 8.270 nan 0.000 0.464 574 L N 0.072 121.374 121.223 0.131 0.000 2.387 574 L HA 0.420 4.761 4.340 0.001 0.000 0.266 574 L C -0.672 176.366 176.870 0.281 0.000 1.059 574 L CA -0.937 54.020 54.840 0.194 0.000 0.801 574 L CB 0.925 43.050 42.059 0.110 0.000 1.223 574 L HN -0.127 nan 8.230 nan 0.000 0.456 575 F N 1.467 121.513 119.950 0.160 0.000 2.588 575 F HA 0.721 5.249 4.527 0.001 0.000 0.318 575 F C -1.159 174.771 175.800 0.217 0.000 1.155 575 F CA -0.946 57.126 58.000 0.120 0.000 0.967 575 F CB 1.341 40.367 39.000 0.042 0.000 1.236 575 F HN 0.404 nan 8.300 nan 0.000 0.455 576 A N 6.603 129.237 122.820 -0.309 0.000 2.356 576 A HA 0.815 5.136 4.320 0.001 0.000 0.310 576 A C -1.970 175.318 177.584 -0.493 0.000 1.075 576 A CA -0.602 51.192 52.037 -0.405 0.000 0.746 576 A CB 1.278 20.146 19.000 -0.219 0.000 1.221 576 A HN 1.207 nan 8.150 nan 0.000 0.443 577 L N 0.477 121.425 121.223 -0.459 0.000 2.354 577 L HA 0.992 5.333 4.340 0.001 0.000 0.264 577 L C -0.072 176.733 176.870 -0.108 0.000 1.008 577 L CA -0.350 54.356 54.840 -0.223 0.000 0.819 577 L CB 1.895 43.862 42.059 -0.153 0.000 1.339 577 L HN 0.648 nan 8.230 nan 0.000 0.420 578 T N -0.402 114.149 114.554 -0.005 0.000 2.888 578 T HA 0.786 5.137 4.350 0.001 0.000 0.284 578 T C -0.240 174.563 174.700 0.173 0.000 1.017 578 T CA -0.879 61.272 62.100 0.085 0.000 1.022 578 T CB 1.617 70.543 68.868 0.097 0.000 1.013 578 T HN 0.664 nan 8.240 nan 0.000 0.465 579 R N 1.216 121.893 120.500 0.294 0.000 2.480 579 R HA 0.683 5.024 4.340 0.001 0.000 0.306 579 R C 1.051 177.439 176.300 0.147 0.000 0.958 579 R CA 0.065 56.258 56.100 0.154 0.000 0.861 579 R CB 0.883 31.169 30.300 -0.023 0.000 1.171 579 R HN 1.286 nan 8.270 nan 0.000 0.445 580 G N 2.953 111.804 108.800 0.085 0.000 2.574 580 G HA2 -0.325 3.636 3.960 0.001 0.000 0.282 580 G HA3 -0.325 3.636 3.960 0.001 0.000 0.282 580 G C -0.120 174.862 174.900 0.137 0.000 1.257 580 G CA 0.433 45.579 45.100 0.076 0.000 0.956 580 G HN 0.593 nan 8.290 nan 0.000 0.560 581 D N 0.480 120.956 120.400 0.128 0.000 2.402 581 D HA 0.302 4.942 4.640 0.001 0.000 0.216 581 D C 1.849 178.282 176.300 0.221 0.000 1.128 581 D CA 1.040 55.154 54.000 0.191 0.000 0.833 581 D CB 0.323 41.194 40.800 0.117 0.000 0.971 581 D HN 0.629 nan 8.370 nan 0.000 0.503 582 S N -0.947 114.828 115.700 0.125 0.000 2.787 582 S HA 0.214 4.685 4.470 0.001 0.000 0.255 582 S C -0.040 174.489 174.600 -0.118 0.000 1.051 582 S CA -0.711 57.367 58.200 -0.202 0.000 1.124 582 S CB 0.178 63.265 63.200 -0.188 0.000 1.104 582 S HN 0.082 nan 8.310 nan 0.000 0.623 583 F N 1.502 121.526 119.950 0.123 0.000 2.556 583 F HA 0.795 5.323 4.527 0.001 0.000 0.314 583 F C -1.635 174.323 175.800 0.264 0.000 1.106 583 F CA -1.196 56.884 58.000 0.133 0.000 0.911 583 F CB 1.887 40.837 39.000 -0.084 0.000 1.190 583 F HN 0.128 nan 8.300 nan 0.000 0.448 584 L N 5.411 126.217 121.223 -0.695 0.000 2.455 584 L HA 0.909 5.250 4.340 0.001 0.000 0.264 584 L C -1.766 174.518 176.870 -0.976 0.000 0.968 584 L CA -0.400 54.047 54.840 -0.655 0.000 0.827 584 L CB 1.969 43.667 42.059 -0.603 0.000 1.317 584 L HN 0.777 nan 8.230 nan 0.000 0.407 585 A N 4.652 127.081 122.820 -0.652 0.000 2.330 585 A HA 0.819 5.140 4.320 0.001 0.000 0.313 585 A C -1.425 175.931 177.584 -0.381 0.000 1.124 585 A CA -0.529 51.251 52.037 -0.429 0.000 0.774 585 A CB 1.472 20.381 19.000 -0.151 0.000 1.198 585 A HN 0.562 nan 8.150 nan 0.000 0.465 586 V N 3.155 122.827 119.914 -0.403 0.000 2.555 586 V HA 0.546 4.667 4.120 0.001 0.000 0.302 586 V C -0.720 175.140 176.094 -0.390 0.000 1.038 586 V CA -0.524 61.590 62.300 -0.310 0.000 0.887 586 V CB 1.517 33.212 31.823 -0.213 0.000 0.991 586 V HN 0.994 nan 8.190 nan 0.000 0.434 587 H N 2.073 121.163 119.070 0.032 0.000 2.717 587 H HA 0.511 5.068 4.556 0.001 0.000 0.366 587 H C -0.418 175.004 175.328 0.156 0.000 1.132 587 H CA -0.690 55.437 56.048 0.131 0.000 1.180 587 H CB 1.279 31.268 29.762 0.379 0.000 1.678 587 H HN 0.555 nan 8.280 nan 0.000 0.537 588 N N 2.225 121.019 118.700 0.157 0.000 2.501 588 N HA 0.115 4.855 4.740 0.001 0.000 0.245 588 N C -0.910 174.625 175.510 0.041 0.000 0.974 588 N CA -0.478 52.629 53.050 0.096 0.000 0.941 588 N CB 0.174 38.647 38.487 -0.023 0.000 1.122 588 N HN 0.494 nan 8.380 nan 0.000 0.507 589 F N 1.096 121.100 119.950 0.090 0.000 2.664 589 F HA 0.181 4.708 4.527 0.000 0.000 0.301 589 F C 1.220 177.042 175.800 0.038 0.000 1.126 589 F CA -0.168 57.904 58.000 0.121 0.000 1.373 589 F CB -0.091 38.959 39.000 0.083 0.000 1.042 589 F HN 0.336 nan 8.300 nan 0.000 0.535 590 S N -1.687 113.966 115.700 -0.078 0.000 2.726 590 S HA 0.342 4.813 4.470 0.001 0.000 0.308 590 S C 0.282 174.476 174.600 -0.677 0.000 1.115 590 S CA -0.584 57.482 58.200 -0.223 0.000 0.965 590 S CB 1.543 64.686 63.200 -0.095 0.000 1.145 590 S HN 0.140 nan 8.310 nan 0.000 0.532 591 D N -0.289 119.825 120.400 -0.476 0.000 2.325 591 D HA 0.189 4.830 4.640 0.001 0.000 0.225 591 D C -0.105 176.060 176.300 -0.224 0.000 1.096 591 D CA -0.203 53.526 54.000 -0.452 0.000 0.844 591 D CB -0.289 40.428 40.800 -0.138 0.000 0.925 591 D HN 0.258 nan 8.370 nan 0.000 0.513 592 V N 1.063 120.865 119.914 -0.187 0.000 2.417 592 V HA 0.377 4.498 4.120 0.001 0.000 0.291 592 V C -2.340 173.695 176.094 -0.098 0.000 1.024 592 V CA -2.055 60.183 62.300 -0.104 0.000 0.861 592 V CB 1.881 33.664 31.823 -0.066 0.000 0.985 592 V HN -0.089 nan 8.190 nan 0.000 0.436 593 P HA 0.289 nan 4.420 nan 0.000 0.267 593 P C -0.944 176.332 177.300 -0.040 0.000 1.205 593 P CA 0.207 63.274 63.100 -0.055 0.000 0.765 593 P CB 0.427 32.105 31.700 -0.037 0.000 0.828 594 L N 5.453 126.655 121.223 -0.035 0.000 2.408 594 L HA 0.529 4.870 4.340 0.001 0.000 0.268 594 L C -2.339 174.521 176.870 -0.017 0.000 0.986 594 L CA -2.427 52.400 54.840 -0.023 0.000 0.820 594 L CB 2.903 44.952 42.059 -0.018 0.000 1.303 594 L HN 0.184 nan 8.230 nan 0.000 0.411 595 P HA 0.292 nan 4.420 nan 0.000 0.281 595 P C -1.202 176.091 177.300 -0.011 0.000 1.249 595 P CA -0.407 62.688 63.100 -0.008 0.000 0.810 595 P CB 2.275 33.973 31.700 -0.004 0.000 1.008 596 V N 2.118 122.023 119.914 -0.014 0.000 2.577 596 V HA 0.204 4.324 4.120 0.001 0.000 0.303 596 V C -0.261 175.824 176.094 -0.016 0.000 1.042 596 V CA -0.444 61.843 62.300 -0.022 0.000 0.872 596 V CB 1.842 33.640 31.823 -0.043 0.000 0.998 596 V HN 0.518 nan 8.190 nan 0.000 0.423 597 D N 3.911 124.302 120.400 -0.016 0.000 2.380 597 D HA 0.308 4.949 4.640 0.001 0.000 0.230 597 D C 1.012 177.300 176.300 -0.020 0.000 1.154 597 D CA -0.082 53.911 54.000 -0.011 0.000 0.859 597 D CB 1.331 42.126 40.800 -0.009 0.000 1.045 597 D HN 0.452 nan 8.370 nan 0.000 0.495 598 L N 2.641 123.853 121.223 -0.018 0.000 2.131 598 L HA -0.164 4.177 4.340 0.001 0.000 0.210 598 L C 2.536 179.386 176.870 -0.033 0.000 1.092 598 L CA 1.469 56.290 54.840 -0.033 0.000 0.759 598 L CB -0.664 41.380 42.059 -0.024 0.000 0.903 598 L HN 0.498 nan 8.230 nan 0.000 0.435 599 T N -3.010 111.529 114.554 -0.026 0.000 2.881 599 T HA -0.251 4.100 4.350 0.001 0.000 0.270 599 T C 1.723 176.395 174.700 -0.048 0.000 1.068 599 T CA 1.123 63.201 62.100 -0.037 0.000 1.131 599 T CB -0.272 68.585 68.868 -0.019 0.000 0.871 599 T HN 0.397 nan 8.240 nan 0.000 0.479 600 Q N 1.067 120.847 119.800 -0.034 0.000 2.234 600 Q HA -0.065 4.275 4.340 0.001 0.000 0.206 600 Q C 1.820 177.794 176.000 -0.043 0.000 0.980 600 Q CA 1.701 57.485 55.803 -0.032 0.000 0.869 600 Q CB -0.260 28.466 28.738 -0.021 0.000 0.912 600 Q HN 0.878 nan 8.270 nan 0.000 0.436 601 T N -4.872 109.654 114.554 -0.048 0.000 3.200 601 T HA 0.425 4.776 4.350 0.001 0.000 0.284 601 T C 0.866 175.379 174.700 -0.311 0.000 1.009 601 T CA 0.133 62.194 62.100 -0.066 0.000 0.907 601 T CB 0.932 69.852 68.868 0.086 0.000 1.120 601 T HN 0.313 nan 8.240 nan 0.000 0.534 602 G N 1.722 110.345 108.800 -0.294 0.000 2.176 602 G HA2 -0.262 3.699 3.960 0.001 0.000 0.252 602 G HA3 -0.262 3.699 3.960 0.001 0.000 0.252 602 G C 0.085 174.587 174.900 -0.663 0.000 1.024 602 G CA 0.428 45.294 45.100 -0.390 0.000 0.755 602 G HN 0.733 nan 8.290 nan 0.000 0.507 603 H N -0.400 118.414 119.070 -0.428 0.000 2.581 603 H HA 0.604 5.161 4.556 0.001 0.000 0.275 603 H C 1.513 176.599 175.328 -0.404 0.000 1.126 603 H CA 0.117 55.651 56.048 -0.857 0.000 1.097 603 H CB 0.679 29.831 29.762 -1.016 0.000 1.626 603 H HN 0.691 nan 8.280 nan 0.000 0.565 604 A N 1.057 123.835 122.820 -0.069 0.000 2.540 604 A HA 0.161 4.482 4.320 0.001 0.000 0.239 604 A C 1.007 178.704 177.584 0.187 0.000 1.061 604 A CA 0.255 52.323 52.037 0.052 0.000 0.758 604 A CB -0.107 18.912 19.000 0.031 0.000 0.991 604 A HN 0.735 nan 8.150 nan 0.000 0.502 605 L N -0.951 120.390 121.223 0.198 0.000 4.937 605 L HA -0.189 4.151 4.340 0.001 0.000 0.422 605 L C -0.195 176.874 176.870 0.332 0.000 1.059 605 L CA 0.117 55.090 54.840 0.222 0.000 1.111 605 L CB -1.849 40.304 42.059 0.157 0.000 2.033 605 L HN 0.845 nan 8.230 nan 0.000 0.708 606 W N 1.082 122.419 121.300 0.061 0.000 2.148 606 W HA 0.449 5.111 4.660 0.002 0.000 0.347 606 W C 0.891 177.438 176.519 0.047 0.000 1.288 606 W CA 0.329 57.701 57.345 0.045 0.000 1.252 606 W CB 0.244 29.725 29.460 0.034 0.000 1.156 606 W HN 0.171 nan 8.180 nan 0.000 0.580 607 A N 2.359 125.288 122.820 0.183 0.000 2.331 607 A HA 0.561 4.882 4.320 0.001 0.000 0.283 607 A C -0.840 176.792 177.584 0.080 0.000 1.142 607 A CA -0.681 51.431 52.037 0.125 0.000 0.812 607 A CB 0.404 19.440 19.000 0.061 0.000 1.074 607 A HN 0.379 nan 8.150 nan 0.000 0.497 608 V N 4.544 124.467 119.914 0.016 0.000 2.432 608 V HA 0.166 4.287 4.120 0.001 0.000 0.271 608 V C 0.436 176.530 176.094 -0.000 0.000 1.046 608 V CA -0.026 62.228 62.300 -0.078 0.000 0.945 608 V CB 0.366 31.988 31.823 -0.334 0.000 0.992 608 V HN 0.736 nan 8.190 nan 0.000 0.471 609 L N 3.213 124.466 121.223 0.051 0.000 2.466 609 L HA 0.332 4.673 4.340 0.001 0.000 0.257 609 L C 0.704 177.598 176.870 0.040 0.000 1.189 609 L CA -0.414 54.479 54.840 0.087 0.000 0.813 609 L CB 0.368 42.547 42.059 0.199 0.000 1.118 609 L HN 0.540 nan 8.230 nan 0.000 0.471 610 D N -0.115 120.306 120.400 0.035 0.000 2.713 610 D HA 0.013 4.654 4.640 0.001 0.000 0.229 610 D C 1.294 177.569 176.300 -0.042 0.000 1.136 610 D CA -0.108 53.891 54.000 -0.002 0.000 1.010 610 D CB 0.296 41.102 40.800 0.009 0.000 1.084 610 D HN 0.591 nan 8.370 nan 0.000 0.495 611 T N -1.743 112.754 114.554 -0.096 0.000 2.915 611 T HA -0.124 4.226 4.350 0.001 0.000 0.269 611 T C 1.177 175.772 174.700 -0.176 0.000 1.071 611 T CA 0.644 62.615 62.100 -0.215 0.000 1.132 611 T CB 0.136 68.783 68.868 -0.368 0.000 0.878 611 T HN 0.078 nan 8.240 nan 0.000 0.479 612 D N 1.340 121.672 120.400 -0.113 0.000 2.348 612 D HA 0.226 4.866 4.640 0.001 0.000 0.211 612 D C 1.512 177.781 176.300 -0.051 0.000 0.998 612 D CA 0.879 54.830 54.000 -0.082 0.000 0.873 612 D CB -0.099 40.665 40.800 -0.061 0.000 0.925 612 D HN 0.637 nan 8.370 nan 0.000 0.524 613 G N 0.670 109.445 108.800 -0.042 0.000 2.255 613 G HA2 -0.198 3.763 3.960 0.001 0.000 0.239 613 G HA3 -0.198 3.763 3.960 0.001 0.000 0.239 613 G C -0.044 174.853 174.900 -0.006 0.000 1.083 613 G CA 0.122 45.211 45.100 -0.019 0.000 0.826 613 G HN 0.258 nan 8.290 nan 0.000 0.493 614 T N -2.764 111.787 114.554 -0.006 0.000 3.182 614 T HA 0.412 4.763 4.350 0.001 0.000 0.422 614 T C 1.100 175.803 174.700 0.004 0.000 1.154 614 T CA 0.412 62.514 62.100 0.003 0.000 1.018 614 T CB -0.597 68.275 68.868 0.008 0.000 1.458 614 T HN 1.521 nan 8.240 nan 0.000 0.423 615 G N 1.475 110.281 108.800 0.011 0.000 2.853 615 G HA2 0.405 4.366 3.960 0.001 0.000 0.202 615 G HA3 0.405 4.366 3.960 0.001 0.000 0.202 615 G C -0.233 174.681 174.900 0.023 0.000 1.118 615 G CA 0.362 45.473 45.100 0.017 0.000 0.831 615 G HN 0.645 nan 8.290 nan 0.000 0.613 616 D N -0.505 119.910 120.400 0.025 0.000 2.787 616 D HA 0.728 5.369 4.640 0.001 0.000 0.246 616 D C 0.303 176.622 176.300 0.033 0.000 1.150 616 D CA 0.018 54.033 54.000 0.025 0.000 0.864 616 D CB 2.185 42.997 40.800 0.020 0.000 1.481 616 D HN 0.199 nan 8.370 nan 0.000 0.509 617 A N 3.827 126.670 122.820 0.039 0.000 2.144 617 A HA 0.557 4.878 4.320 0.001 0.000 0.191 617 A C -2.100 175.508 177.584 0.041 0.000 1.705 617 A CA -0.270 51.793 52.037 0.045 0.000 1.653 617 A CB -0.836 18.204 19.000 0.067 0.000 1.624 617 A HN 0.557 nan 8.150 nan 0.000 0.691 618 P HA 0.479 nan 4.420 nan 0.000 0.274 618 P C -1.026 176.324 177.300 0.083 0.000 1.231 618 P CA 0.227 63.365 63.100 0.064 0.000 0.790 618 P CB 1.189 32.922 31.700 0.056 0.000 0.951 619 E N 1.493 121.775 120.200 0.137 0.000 2.369 619 E HA 0.362 4.713 4.350 0.001 0.000 0.270 619 E C -2.506 174.245 176.600 0.252 0.000 0.909 619 E CA -2.312 54.181 56.400 0.154 0.000 0.775 619 E CB 2.179 31.953 29.700 0.124 0.000 1.270 619 E HN 0.383 nan 8.360 nan 0.000 0.445 620 P HA 0.020 nan 4.420 nan 0.000 0.268 620 P C -0.983 176.438 177.300 0.202 0.000 1.204 620 P CA 0.571 63.781 63.100 0.183 0.000 0.768 620 P CB 0.668 32.424 31.700 0.094 0.000 0.842 621 H N 0.864 119.978 119.070 0.074 0.000 2.821 621 H HA 0.265 4.822 4.556 0.001 0.000 0.373 621 H C 0.764 176.123 175.328 0.051 0.000 1.165 621 H CA -0.559 55.519 56.048 0.050 0.000 1.154 621 H CB 2.324 32.108 29.762 0.037 0.000 1.765 621 H HN 0.350 nan 8.280 nan 0.000 0.549 622 T N -1.646 112.977 114.554 0.116 0.000 3.001 622 T HA 0.058 4.409 4.350 0.001 0.000 0.251 622 T C 0.390 175.126 174.700 0.060 0.000 1.040 622 T CA -0.187 61.956 62.100 0.072 0.000 0.985 622 T CB 0.616 69.504 68.868 0.033 0.000 1.011 622 T HN 0.664 nan 8.240 nan 0.000 0.509 623 E N 0.953 121.208 120.200 0.091 0.000 2.430 623 E HA 0.616 4.966 4.350 0.001 0.000 0.279 623 E C -1.827 174.842 176.600 0.114 0.000 1.003 623 E CA -1.068 55.373 56.400 0.068 0.000 0.801 623 E CB 1.452 31.174 29.700 0.036 0.000 1.313 623 E HN 0.263 nan 8.360 nan 0.000 0.459 624 L N 0.490 121.743 121.223 0.049 0.000 2.371 624 L HA 0.553 4.894 4.340 0.001 0.000 0.262 624 L C -1.003 175.875 176.870 0.013 0.000 1.006 624 L CA -1.315 53.543 54.840 0.029 0.000 0.818 624 L CB 2.006 44.039 42.059 -0.043 0.000 1.354 624 L HN 0.433 nan 8.230 nan 0.000 0.415 625 L N 2.816 124.045 121.223 0.010 0.000 2.345 625 L HA 0.544 4.885 4.340 0.001 0.000 0.274 625 L C -1.221 175.636 176.870 -0.021 0.000 0.999 625 L CA -0.299 54.538 54.840 -0.004 0.000 0.849 625 L CB 1.184 43.247 42.059 0.006 0.000 1.220 625 L HN 0.360 nan 8.230 nan 0.000 0.422 626 L N 8.349 129.553 121.223 -0.032 0.000 2.265 626 L HA 0.547 4.888 4.340 0.001 0.000 0.288 626 L C -1.805 175.037 176.870 -0.047 0.000 1.058 626 L CA -1.230 53.584 54.840 -0.044 0.000 0.809 626 L CB 0.672 42.703 42.059 -0.046 0.000 1.179 626 L HN 0.499 nan 8.230 nan 0.000 0.429 627 P HA 0.049 nan 4.420 nan 0.000 0.271 627 P C -0.619 176.632 177.300 -0.082 0.000 1.244 627 P CA -0.569 62.501 63.100 -0.050 0.000 0.793 627 P CB 0.526 32.206 31.700 -0.033 0.000 0.984 628 A N 1.185 123.939 122.820 -0.111 0.000 2.567 628 A HA 0.000 4.321 4.320 0.001 0.000 0.240 628 A C -0.101 177.382 177.584 -0.167 0.000 1.053 628 A CA 0.214 52.101 52.037 -0.250 0.000 0.755 628 A CB -1.520 17.336 19.000 -0.240 0.000 0.978 628 A HN 0.611 nan 8.150 nan 0.000 0.507 629 Y N -0.871 119.379 120.300 -0.082 0.000 4.324 629 Y HA -0.240 4.311 4.550 0.001 0.000 0.224 629 Y C 1.340 177.145 175.900 -0.157 0.000 1.113 629 Y CA 0.858 58.863 58.100 -0.159 0.000 1.887 629 Y CB -2.036 36.338 38.460 -0.144 0.000 1.602 629 Y HN 1.063 nan 8.280 nan 0.000 0.654 630 G N -0.186 108.594 108.800 -0.033 0.000 2.503 630 G HA2 0.510 4.471 3.960 0.001 0.000 0.257 630 G HA3 0.510 4.471 3.960 0.001 0.000 0.257 630 G C -0.544 174.315 174.900 -0.070 0.000 1.214 630 G CA -0.080 44.990 45.100 -0.049 0.000 0.839 630 G HN 0.158 nan 8.290 nan 0.000 0.559 631 V N 2.389 122.239 119.914 -0.107 0.000 2.656 631 V HA 0.642 4.762 4.120 0.001 0.000 0.307 631 V C -0.445 175.535 176.094 -0.189 0.000 1.051 631 V CA -1.027 61.169 62.300 -0.174 0.000 0.893 631 V CB 1.873 33.584 31.823 -0.186 0.000 0.999 631 V HN 0.696 nan 8.190 nan 0.000 0.426 632 R N 2.427 122.818 120.500 -0.181 0.000 2.575 632 R HA 0.427 4.768 4.340 0.001 0.000 0.293 632 R C -1.902 174.426 176.300 0.046 0.000 0.983 632 R CA -0.496 55.536 56.100 -0.114 0.000 0.887 632 R CB 2.222 32.440 30.300 -0.137 0.000 1.184 632 R HN 0.642 nan 8.270 nan 0.000 0.445 633 W N 3.570 124.749 121.300 -0.202 0.000 2.478 633 W HA 0.505 5.165 4.660 0.001 0.000 0.318 633 W C -0.531 175.854 176.519 -0.224 0.000 1.062 633 W CA -0.709 56.492 57.345 -0.240 0.000 1.210 633 W CB 0.841 30.301 29.460 0.001 0.000 1.325 633 W HN 0.288 nan 8.180 nan 0.000 0.496 634 L N 2.258 123.382 121.223 -0.165 0.000 2.381 634 L HA 0.479 4.820 4.340 0.001 0.000 0.268 634 L C -0.130 176.752 176.870 0.021 0.000 0.997 634 L CA -0.846 53.987 54.840 -0.012 0.000 0.818 634 L CB 2.012 44.111 42.059 0.067 0.000 1.310 634 L HN 0.339 nan 8.230 nan 0.000 0.416 635 Q N 2.089 121.913 119.800 0.040 0.000 2.365 635 Q HA 0.477 4.818 4.340 0.001 0.000 0.269 635 Q C -0.851 174.855 176.000 -0.490 0.000 1.061 635 Q CA -0.931 54.789 55.803 -0.137 0.000 0.816 635 Q CB 2.075 30.787 28.738 -0.043 0.000 1.325 635 Q HN 0.530 nan 8.270 nan 0.000 0.446 636 R N 3.477 123.312 120.500 -1.108 0.000 2.316 636 R HA 0.270 4.611 4.340 0.001 0.000 0.314 636 R C -0.666 175.302 176.300 -0.554 0.000 1.069 636 R CA 0.248 55.550 56.100 -1.330 0.000 0.959 636 R CB 0.519 29.865 30.300 -1.590 0.000 0.987 636 R HN 0.636 nan 8.270 nan 0.000 0.446 637 R N 0.000 120.285 120.500 -0.359 0.000 2.786 637 R HA 0.000 4.341 4.340 0.001 0.000 0.208 637 R CA 0.000 55.990 56.100 -0.182 0.000 0.921 637 R CB 0.000 30.236 30.300 -0.107 0.000 0.687 637 R HN 0.000 nan 8.270 nan 0.000 0.535