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 3cxy_1_A DATA FIRST_RESID 4 DATA SEQUENCE TVLLEVPFSA RGDRIPDAVA ELRTREPIRK VRTITGAEAW LVSSYALCTQ DATA SEQUENCE VLEDRRFSMK ETAAAGAPRL NALTVPPEVV NNMGNIADAG LRKAVMKAIT DATA SEQUENCE PKAPGLEQFL RDTANSLLDN LITEGAPADL RNDFADPLAT ALHCKVLGIP DATA SEQUENCE QEDGPKLFRS LSIAFMSSAD PIPAAKINWD RDIEYMAGIL ENPNITTGLM DATA SEQUENCE GELSRLRKDP AYSHVSDELF ATIGVTFFGA GVISTGSFLT TALISLIQRP DATA SEQUENCE QLRNLLHEKP ELIPAGVEEL LRINLSFADG LPRLATADIQ VGDVLVRKGE DATA SEQUENCE LVLVLLEGAN FDPEHFPNPG SIELDRPNPT SHLAFGRGQH FCLGSALGRR DATA SEQUENCE HAQIGIEALL KKMPGVDLAV PIDQLVWRTR FQRRIPERLP VLW 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.699 174.700 -0.002 0.000 1.109 4 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 4 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 5 V N 1.028 120.941 119.914 -0.001 0.000 3.083 5 V HA 0.783 4.882 4.120 -0.036 0.000 0.306 5 V C 0.750 176.842 176.094 -0.003 0.000 1.077 5 V CA -1.087 61.211 62.300 -0.004 0.000 1.073 5 V CB 0.681 32.503 31.823 -0.003 0.000 1.081 5 V HN 1.101 nan 8.190 nan 0.000 0.474 6 L N 2.963 124.180 121.223 -0.010 0.000 2.525 6 L HA 0.229 4.547 4.340 -0.036 0.000 0.278 6 L C 0.141 177.013 176.870 0.004 0.000 1.218 6 L CA 0.073 54.905 54.840 -0.013 0.000 0.878 6 L CB 0.022 42.059 42.059 -0.036 0.000 1.127 6 L HN 0.853 nan 8.230 nan 0.000 0.492 7 L N 5.214 126.450 121.223 0.022 0.000 2.640 7 L HA -0.005 4.313 4.340 -0.036 0.000 0.280 7 L C 0.108 177.023 176.870 0.075 0.000 1.229 7 L CA 0.910 55.789 54.840 0.066 0.000 0.919 7 L CB -0.260 41.859 42.059 0.100 0.000 1.168 7 L HN 0.718 nan 8.230 nan 0.000 0.496 8 E N 3.800 124.054 120.200 0.091 0.000 2.266 8 E HA 0.549 4.877 4.350 -0.036 0.000 0.277 8 E C -0.776 175.849 176.600 0.041 0.000 1.018 8 E CA -0.701 55.729 56.400 0.049 0.000 0.840 8 E CB 1.666 31.387 29.700 0.035 0.000 1.082 8 E HN 0.553 nan 8.360 nan 0.000 0.395 9 V N -0.130 119.731 119.914 -0.087 0.000 2.815 9 V HA 0.642 4.740 4.120 -0.036 0.000 0.314 9 V C -2.413 173.577 176.094 -0.173 0.000 1.064 9 V CA -2.431 59.709 62.300 -0.267 0.000 0.952 9 V CB 1.297 32.898 31.823 -0.370 0.000 1.020 9 V HN 0.567 nan 8.190 nan 0.000 0.439 10 P HA 0.374 nan 4.420 nan 0.000 0.276 10 P C 0.269 177.432 177.300 -0.229 0.000 1.252 10 P CA -0.219 62.685 63.100 -0.326 0.000 0.802 10 P CB 0.915 32.511 31.700 -0.174 0.000 1.035 11 F N -0.583 119.351 119.950 -0.027 0.000 2.187 11 F HA 0.005 4.513 4.527 -0.032 0.000 0.295 11 F C 1.623 177.396 175.800 -0.045 0.000 1.091 11 F CA 0.739 58.717 58.000 -0.036 0.000 1.308 11 F CB 0.038 39.011 39.000 -0.046 0.000 1.030 11 F HN 0.308 nan 8.300 nan 0.000 0.487 12 S N -0.923 114.842 115.700 0.108 0.000 2.533 12 S HA 0.633 5.082 4.470 -0.036 0.000 0.271 12 S C -0.009 174.567 174.600 -0.039 0.000 1.143 12 S CA -0.342 57.867 58.200 0.015 0.000 0.891 12 S CB 1.678 64.865 63.200 -0.021 0.000 1.105 12 S HN 0.133 nan 8.310 nan 0.000 0.468 13 A N 3.448 126.246 122.820 -0.036 0.000 2.208 13 A HA 0.308 4.606 4.320 -0.036 0.000 0.209 13 A C 0.988 178.458 177.584 -0.189 0.000 1.161 13 A CA 0.055 52.081 52.037 -0.019 0.000 0.782 13 A CB -0.232 18.824 19.000 0.093 0.000 0.816 13 A HN 0.770 nan 8.150 nan 0.000 0.477 14 R N -0.306 119.945 120.500 -0.416 0.000 2.449 14 R HA 0.234 4.552 4.340 -0.036 0.000 0.296 14 R C 1.031 176.714 176.300 -1.029 0.000 1.047 14 R CA 0.473 55.921 56.100 -1.087 0.000 1.018 14 R CB 0.492 30.354 30.300 -0.730 0.000 0.962 14 R HN 0.266 nan 8.270 nan 0.000 0.428 15 G N 1.694 109.421 108.800 -1.788 0.000 3.277 15 G HA2 -0.098 3.841 3.960 -0.036 0.000 0.243 15 G HA3 -0.098 3.841 3.960 -0.036 0.000 0.243 15 G C 0.496 175.129 174.900 -0.445 0.000 1.107 15 G CA -0.233 44.386 45.100 -0.803 0.000 0.771 15 G HN 0.692 nan 8.290 nan 0.000 0.544 16 D N 0.222 120.320 120.400 -0.504 0.000 2.367 16 D HA 0.036 4.654 4.640 -0.036 0.000 0.207 16 D C 1.009 177.269 176.300 -0.067 0.000 1.034 16 D CA -0.144 53.815 54.000 -0.069 0.000 0.861 16 D CB 0.330 41.216 40.800 0.143 0.000 0.943 16 D HN 0.498 nan 8.370 nan 0.000 0.515 17 R N -0.387 120.018 120.500 -0.159 0.000 2.643 17 R HA 0.513 4.831 4.340 -0.036 0.000 0.269 17 R C -1.406 174.784 176.300 -0.184 0.000 1.037 17 R CA -0.920 55.109 56.100 -0.119 0.000 0.894 17 R CB 1.064 31.311 30.300 -0.088 0.000 1.238 17 R HN -0.028 nan 8.270 nan 0.000 0.459 18 I N 3.178 123.611 120.570 -0.228 0.000 2.395 18 I HA 0.292 4.440 4.170 -0.036 0.000 0.289 18 I C -1.901 174.094 176.117 -0.204 0.000 1.023 18 I CA -2.194 58.917 61.300 -0.315 0.000 1.350 18 I CB 1.507 39.093 38.000 -0.690 0.000 1.409 18 I HN 0.570 nan 8.210 nan 0.000 0.507 19 P HA 0.085 nan 4.420 nan 0.000 0.268 19 P C -0.121 177.100 177.300 -0.132 0.000 1.204 19 P CA -0.118 62.908 63.100 -0.123 0.000 0.768 19 P CB 0.498 32.137 31.700 -0.102 0.000 0.842 20 D N 2.103 122.439 120.400 -0.107 0.000 2.228 20 D HA -0.175 4.443 4.640 -0.036 0.000 0.203 20 D C 1.840 178.075 176.300 -0.109 0.000 0.988 20 D CA 1.653 55.600 54.000 -0.089 0.000 0.864 20 D CB -0.379 40.381 40.800 -0.066 0.000 0.928 20 D HN 0.415 nan 8.370 nan 0.000 0.469 21 A N 0.350 123.076 122.820 -0.157 0.000 2.019 21 A HA -0.131 4.167 4.320 -0.036 0.000 0.219 21 A C 2.476 179.923 177.584 -0.228 0.000 1.164 21 A CA 0.920 52.825 52.037 -0.221 0.000 0.644 21 A CB -0.510 18.283 19.000 -0.344 0.000 0.805 21 A HN 0.162 nan 8.150 nan 0.000 0.449 22 V N -0.244 119.561 119.914 -0.182 0.000 2.295 22 V HA -0.269 3.829 4.120 -0.036 0.000 0.246 22 V C 3.034 179.104 176.094 -0.040 0.000 1.049 22 V CA 2.007 64.253 62.300 -0.090 0.000 1.024 22 V CB -1.191 30.606 31.823 -0.044 0.000 0.648 22 V HN 0.610 nan 8.190 nan 0.000 0.447 23 A N -0.214 122.584 122.820 -0.037 0.000 1.930 23 A HA -0.161 4.137 4.320 -0.036 0.000 0.217 23 A C 2.286 179.868 177.584 -0.004 0.000 1.175 23 A CA 1.726 53.766 52.037 0.005 0.000 0.627 23 A CB -0.436 18.574 19.000 0.016 0.000 0.815 23 A HN 0.527 nan 8.150 nan 0.000 0.443 24 E N -0.765 119.413 120.200 -0.036 0.000 2.072 24 E HA -0.148 4.180 4.350 -0.036 0.000 0.191 24 E C 2.058 178.641 176.600 -0.028 0.000 0.985 24 E CA 1.105 57.485 56.400 -0.034 0.000 0.801 24 E CB -0.717 28.950 29.700 -0.057 0.000 0.750 24 E HN 0.587 nan 8.360 nan 0.000 0.452 25 L N 0.984 122.179 121.223 -0.046 0.000 2.017 25 L HA -0.023 4.295 4.340 -0.036 0.000 0.208 25 L C 2.505 179.389 176.870 0.023 0.000 1.073 25 L CA 1.985 56.814 54.840 -0.019 0.000 0.745 25 L CB -0.527 41.511 42.059 -0.036 0.000 0.894 25 L HN 0.059 nan 8.230 nan 0.000 0.432 26 R N -1.390 119.130 120.500 0.034 0.000 2.091 26 R HA -0.164 4.155 4.340 -0.036 0.000 0.238 26 R C 1.993 178.320 176.300 0.045 0.000 1.136 26 R CA 2.006 58.139 56.100 0.054 0.000 0.959 26 R CB -0.349 29.995 30.300 0.074 0.000 0.856 26 R HN 0.408 nan 8.270 nan 0.000 0.437 27 T N -0.001 114.574 114.554 0.034 0.000 2.737 27 T HA -0.127 4.201 4.350 -0.036 0.000 0.265 27 T C 2.265 176.979 174.700 0.024 0.000 1.038 27 T CA 2.112 64.229 62.100 0.028 0.000 1.144 27 T CB -0.261 68.620 68.868 0.021 0.000 0.866 27 T HN 0.490 nan 8.240 nan 0.000 0.434 28 R N 0.991 121.503 120.500 0.019 0.000 2.100 28 R HA 0.274 4.592 4.340 -0.036 0.000 0.220 28 R C 1.265 177.582 176.300 0.029 0.000 1.091 28 R CA 1.194 57.306 56.100 0.019 0.000 0.986 28 R CB -0.303 30.003 30.300 0.011 0.000 0.888 28 R HN 0.539 nan 8.270 nan 0.000 0.444 29 E N -0.431 119.791 120.200 0.038 0.000 3.079 29 E HA 0.175 4.504 4.350 -0.036 0.000 0.329 29 E C -2.315 174.324 176.600 0.065 0.000 1.166 29 E CA -1.269 55.164 56.400 0.054 0.000 0.876 29 E CB 1.846 31.586 29.700 0.067 0.000 1.479 29 E HN 0.194 nan 8.360 nan 0.000 0.384 30 P HA -0.029 nan 4.420 nan 0.000 0.230 30 P C 0.400 177.734 177.300 0.055 0.000 1.158 30 P CA 0.625 63.758 63.100 0.054 0.000 0.769 30 P CB 0.539 32.264 31.700 0.041 0.000 0.807 31 I N 0.116 120.721 120.570 0.059 0.000 2.478 31 I HA 0.509 4.658 4.170 -0.036 0.000 0.287 31 I C -0.989 175.251 176.117 0.205 0.000 1.042 31 I CA -1.278 60.079 61.300 0.095 0.000 1.067 31 I CB 1.408 39.395 38.000 -0.022 0.000 1.233 31 I HN -0.200 nan 8.210 nan 0.000 0.431 32 R N 5.418 126.113 120.500 0.326 0.000 2.710 32 R HA 0.479 4.798 4.340 -0.036 0.000 0.270 32 R C -1.754 174.733 176.300 0.311 0.000 1.021 32 R CA -1.018 55.298 56.100 0.360 0.000 0.889 32 R CB 1.075 31.494 30.300 0.197 0.000 1.243 32 R HN 0.459 nan 8.270 nan 0.000 0.464 33 K N 1.537 122.003 120.400 0.111 0.000 2.218 33 K HA 0.466 4.764 4.320 -0.036 0.000 0.276 33 K C -0.498 176.028 176.600 -0.124 0.000 1.022 33 K CA -0.405 55.714 56.287 -0.280 0.000 0.946 33 K CB 1.013 33.245 32.500 -0.446 0.000 1.000 33 K HN 0.564 nan 8.250 nan 0.000 0.468 34 V N 0.484 120.299 119.914 -0.164 0.000 3.181 34 V HA 0.616 4.714 4.120 -0.036 0.000 0.308 34 V C -1.212 174.813 176.094 -0.115 0.000 1.214 34 V CA -1.269 60.984 62.300 -0.078 0.000 1.053 34 V CB 1.786 33.595 31.823 -0.023 0.000 1.069 34 V HN 0.866 nan 8.190 nan 0.000 0.441 35 R N 1.046 121.502 120.500 -0.073 0.000 2.445 35 R HA 0.687 5.006 4.340 -0.036 0.000 0.308 35 R C 0.091 176.350 176.300 -0.069 0.000 0.961 35 R CA 0.236 56.291 56.100 -0.076 0.000 0.862 35 R CB 1.804 32.071 30.300 -0.055 0.000 1.144 35 R HN 1.181 nan 8.270 nan 0.000 0.447 36 T N 0.919 115.429 114.554 -0.074 0.000 2.824 36 T HA 0.188 4.516 4.350 -0.036 0.000 0.277 36 T C 1.799 176.467 174.700 -0.054 0.000 0.975 36 T CA -0.688 61.370 62.100 -0.070 0.000 0.966 36 T CB 0.593 69.419 68.868 -0.070 0.000 1.054 36 T HN 0.673 nan 8.240 nan 0.000 0.533 37 I N -1.057 119.482 120.570 -0.050 0.000 2.700 37 I HA -0.039 4.109 4.170 -0.036 0.000 0.261 37 I C 2.159 178.256 176.117 -0.034 0.000 1.219 37 I CA 1.466 62.744 61.300 -0.037 0.000 1.463 37 I CB -1.217 36.764 38.000 -0.031 0.000 1.092 37 I HN 0.824 nan 8.210 nan 0.000 0.452 38 T N -2.162 112.368 114.554 -0.040 0.000 3.113 38 T HA 0.376 4.704 4.350 -0.036 0.000 0.256 38 T C 1.642 176.321 174.700 -0.036 0.000 1.131 38 T CA 0.533 62.611 62.100 -0.037 0.000 1.074 38 T CB 0.148 68.992 68.868 -0.041 0.000 0.944 38 T HN 0.732 nan 8.240 nan 0.000 0.516 39 G N 1.096 109.872 108.800 -0.039 0.000 2.195 39 G HA2 -0.055 3.883 3.960 -0.036 0.000 0.246 39 G HA3 -0.055 3.883 3.960 -0.036 0.000 0.246 39 G C 0.376 175.246 174.900 -0.050 0.000 0.984 39 G CA -0.090 44.986 45.100 -0.040 0.000 0.633 39 G HN 1.177 nan 8.290 nan 0.000 0.525 40 A N 0.210 122.997 122.820 -0.054 0.000 2.425 40 A HA 0.579 4.877 4.320 -0.036 0.000 0.242 40 A C 0.496 178.026 177.584 -0.091 0.000 1.077 40 A CA 0.453 52.451 52.037 -0.065 0.000 0.781 40 A CB 0.258 19.223 19.000 -0.058 0.000 1.020 40 A HN 0.532 nan 8.150 nan 0.000 0.494 41 E N -0.259 119.870 120.200 -0.117 0.000 2.319 41 E HA 0.574 4.902 4.350 -0.036 0.000 0.268 41 E C -0.145 176.324 176.600 -0.218 0.000 1.050 41 E CA -0.149 56.139 56.400 -0.187 0.000 0.878 41 E CB 1.573 31.134 29.700 -0.231 0.000 1.066 41 E HN 0.831 nan 8.360 nan 0.000 0.406 42 A N 1.884 124.528 122.820 -0.294 0.000 2.609 42 A HA 0.503 4.802 4.320 -0.036 0.000 0.291 42 A C -2.094 175.260 177.584 -0.385 0.000 1.096 42 A CA -0.833 51.047 52.037 -0.260 0.000 0.684 42 A CB 0.799 19.734 19.000 -0.108 0.000 1.282 42 A HN 0.613 nan 8.150 nan 0.000 0.412 43 W N 1.151 122.448 121.300 -0.004 0.000 2.349 43 W HA 0.546 5.199 4.660 -0.012 0.000 0.309 43 W C -0.070 176.434 176.519 -0.025 0.000 1.083 43 W CA -0.400 56.941 57.345 -0.007 0.000 1.224 43 W CB 1.519 30.975 29.460 -0.007 0.000 1.256 43 W HN 0.472 nan 8.180 nan 0.000 0.461 44 L N 5.865 127.215 121.223 0.212 0.000 2.264 44 L HA 0.555 4.874 4.340 -0.036 0.000 0.289 44 L C -0.828 176.120 176.870 0.129 0.000 1.044 44 L CA -0.553 54.360 54.840 0.122 0.000 0.807 44 L CB 0.908 43.031 42.059 0.106 0.000 1.192 44 L HN 0.158 nan 8.230 nan 0.000 0.425 45 V N 5.075 125.028 119.914 0.065 0.000 2.417 45 V HA 0.419 4.517 4.120 -0.036 0.000 0.291 45 V C 0.726 176.840 176.094 0.034 0.000 1.024 45 V CA -0.073 62.244 62.300 0.028 0.000 0.861 45 V CB 1.443 33.237 31.823 -0.049 0.000 0.985 45 V HN 0.930 nan 8.190 nan 0.000 0.436 46 S N 0.941 116.673 115.700 0.053 0.000 2.787 46 S HA 0.172 4.620 4.470 -0.036 0.000 0.255 46 S C 0.488 175.140 174.600 0.087 0.000 1.051 46 S CA 0.116 58.363 58.200 0.078 0.000 1.124 46 S CB 0.376 63.642 63.200 0.109 0.000 1.104 46 S HN 0.806 nan 8.310 nan 0.000 0.623 47 S N 0.384 116.124 115.700 0.066 0.000 2.608 47 S HA 0.556 5.005 4.470 -0.036 0.000 0.291 47 S C 0.516 175.170 174.600 0.090 0.000 1.146 47 S CA -0.671 57.586 58.200 0.095 0.000 1.043 47 S CB 0.874 64.120 63.200 0.077 0.000 1.037 47 S HN 0.227 nan 8.310 nan 0.000 0.520 48 Y N 2.431 122.737 120.300 0.009 0.000 2.165 48 Y HA -0.128 4.401 4.550 -0.035 0.000 0.286 48 Y C 2.494 178.348 175.900 -0.078 0.000 1.155 48 Y CA 2.326 60.393 58.100 -0.054 0.000 1.164 48 Y CB -0.915 37.466 38.460 -0.131 0.000 0.978 48 Y HN 0.894 nan 8.280 nan 0.000 0.513 49 A N 0.137 123.037 122.820 0.134 0.000 1.877 49 A HA -0.173 4.126 4.320 -0.036 0.000 0.216 49 A C 2.261 179.821 177.584 -0.041 0.000 1.186 49 A CA 1.999 54.072 52.037 0.060 0.000 0.620 49 A CB -1.109 17.937 19.000 0.076 0.000 0.822 49 A HN 0.544 nan 8.150 nan 0.000 0.443 50 L N -1.081 120.118 121.223 -0.039 0.000 2.179 50 L HA -0.161 4.158 4.340 -0.036 0.000 0.208 50 L C 2.657 179.453 176.870 -0.124 0.000 1.096 50 L CA 0.756 55.553 54.840 -0.071 0.000 0.779 50 L CB -0.691 41.335 42.059 -0.056 0.000 0.922 50 L HN 0.472 nan 8.230 nan 0.000 0.443 51 C N -0.306 118.910 119.300 -0.139 0.000 2.429 51 C HA -0.152 4.286 4.460 -0.036 0.000 0.277 51 C C 2.969 177.833 174.990 -0.211 0.000 1.262 51 C CA 1.441 60.354 59.018 -0.175 0.000 1.733 51 C CB -0.799 26.837 27.740 -0.173 0.000 2.010 51 C HN 0.517 nan 8.230 nan 0.000 0.483 52 T N 0.086 114.469 114.554 -0.286 0.000 2.777 52 T HA -0.245 4.083 4.350 -0.036 0.000 0.266 52 T C 1.854 176.480 174.700 -0.124 0.000 1.040 52 T CA 1.584 63.534 62.100 -0.250 0.000 1.141 52 T CB -0.412 68.263 68.868 -0.320 0.000 0.868 52 T HN 0.663 nan 8.240 nan 0.000 0.444 53 Q N 0.547 120.288 119.800 -0.098 0.000 2.077 53 Q HA -0.146 4.172 4.340 -0.036 0.000 0.206 53 Q C 2.328 178.321 176.000 -0.012 0.000 0.989 53 Q CA 1.582 57.364 55.803 -0.034 0.000 0.853 53 Q CB -0.246 28.478 28.738 -0.023 0.000 0.907 53 Q HN 0.377 nan 8.270 nan 0.000 0.418 54 V N 1.008 120.845 119.914 -0.128 0.000 2.307 54 V HA -0.260 3.839 4.120 -0.036 0.000 0.245 54 V C 2.352 178.423 176.094 -0.038 0.000 1.045 54 V CA 1.487 63.636 62.300 -0.251 0.000 1.024 54 V CB -0.471 31.026 31.823 -0.543 0.000 0.651 54 V HN 0.395 nan 8.190 nan 0.000 0.449 55 L N -0.331 120.861 121.223 -0.052 0.000 2.201 55 L HA -0.125 4.193 4.340 -0.036 0.000 0.212 55 L C 2.193 179.100 176.870 0.061 0.000 1.105 55 L CA 1.359 56.208 54.840 0.015 0.000 0.775 55 L CB -0.443 41.607 42.059 -0.014 0.000 0.913 55 L HN 0.412 nan 8.230 nan 0.000 0.440 56 E N -0.922 119.304 120.200 0.044 0.000 2.479 56 E HA -0.038 4.290 4.350 -0.036 0.000 0.193 56 E C -0.089 176.556 176.600 0.076 0.000 1.049 56 E CA -0.090 56.337 56.400 0.046 0.000 0.870 56 E CB 0.283 29.992 29.700 0.015 0.000 0.944 56 E HN 0.179 nan 8.360 nan 0.000 0.492 57 D N 0.549 121.035 120.400 0.143 0.000 2.441 57 D HA 0.123 4.741 4.640 -0.036 0.000 0.231 57 D C 0.584 176.982 176.300 0.163 0.000 1.073 57 D CA -0.373 53.720 54.000 0.155 0.000 0.850 57 D CB 0.602 41.547 40.800 0.241 0.000 1.062 57 D HN -0.144 nan 8.370 nan 0.000 0.524 58 R N 2.195 122.744 120.500 0.082 0.000 2.285 58 R HA 0.019 4.337 4.340 -0.036 0.000 0.213 58 R C 1.562 177.885 176.300 0.039 0.000 1.068 58 R CA 0.545 56.693 56.100 0.081 0.000 1.004 58 R CB 0.301 30.627 30.300 0.044 0.000 0.873 58 R HN 0.345 nan 8.270 nan 0.000 0.467 59 R N -0.174 120.295 120.500 -0.051 0.000 2.237 59 R HA -0.051 4.267 4.340 -0.036 0.000 0.219 59 R C -0.097 176.048 176.300 -0.259 0.000 1.080 59 R CA 0.622 56.617 56.100 -0.175 0.000 0.995 59 R CB -0.008 30.128 30.300 -0.273 0.000 0.875 59 R HN 0.014 nan 8.270 nan 0.000 0.462 60 F N 0.817 120.782 119.950 0.026 0.000 2.368 60 F HA 0.150 4.652 4.527 -0.041 0.000 0.362 60 F C 0.566 176.393 175.800 0.045 0.000 1.137 60 F CA -0.389 57.629 58.000 0.031 0.000 1.161 60 F CB 1.036 40.051 39.000 0.026 0.000 1.265 60 F HN -0.214 nan 8.300 nan 0.000 0.530 61 S N 4.854 120.657 115.700 0.171 0.000 2.480 61 S HA 0.266 4.714 4.470 -0.036 0.000 0.286 61 S C 1.164 175.815 174.600 0.085 0.000 1.180 61 S CA -0.765 57.508 58.200 0.121 0.000 1.075 61 S CB 0.792 64.034 63.200 0.071 0.000 0.996 61 S HN 0.843 nan 8.310 nan 0.000 0.487 62 M N 5.048 124.677 119.600 0.048 0.000 2.099 62 M HA -0.012 4.446 4.480 -0.036 0.000 0.262 62 M C 2.111 178.383 176.300 -0.047 0.000 1.067 62 M CA 1.643 56.890 55.300 -0.089 0.000 1.124 62 M CB -0.376 31.970 32.600 -0.422 0.000 1.353 62 M HN 0.812 nan 8.290 nan 0.000 0.410 63 K N 0.043 120.445 120.400 0.002 0.000 2.074 63 K HA -0.196 4.102 4.320 -0.036 0.000 0.209 63 K C 1.528 178.129 176.600 0.002 0.000 1.048 63 K CA 1.710 58.003 56.287 0.009 0.000 0.926 63 K CB -0.066 32.460 32.500 0.043 0.000 0.713 63 K HN 0.370 nan 8.250 nan 0.000 0.444 64 E N 0.076 120.285 120.200 0.014 0.000 2.418 64 E HA -0.094 4.234 4.350 -0.036 0.000 0.197 64 E C 1.818 178.420 176.600 0.004 0.000 1.026 64 E CA 1.325 57.732 56.400 0.011 0.000 0.862 64 E CB -0.171 29.541 29.700 0.020 0.000 0.799 64 E HN 0.576 nan 8.360 nan 0.000 0.518 65 T N -1.354 113.199 114.554 -0.002 0.000 2.897 65 T HA -0.055 4.273 4.350 -0.036 0.000 0.271 65 T C 1.826 176.508 174.700 -0.029 0.000 1.084 65 T CA 1.149 63.241 62.100 -0.013 0.000 1.123 65 T CB -0.077 68.776 68.868 -0.025 0.000 0.865 65 T HN 0.113 nan 8.240 nan 0.000 0.496 66 A N 1.012 123.811 122.820 -0.034 0.000 2.251 66 A HA 0.719 5.017 4.320 -0.036 0.000 0.209 66 A C 1.435 178.998 177.584 -0.035 0.000 1.187 66 A CA 0.175 52.185 52.037 -0.045 0.000 0.823 66 A CB -0.747 18.221 19.000 -0.054 0.000 0.846 66 A HN 0.794 nan 8.150 nan 0.000 0.486 67 A N 0.440 123.247 122.820 -0.022 0.000 2.511 67 A HA 0.514 4.812 4.320 -0.036 0.000 0.242 67 A C 0.883 178.454 177.584 -0.021 0.000 1.069 67 A CA 0.201 52.228 52.037 -0.017 0.000 0.763 67 A CB -0.292 18.703 19.000 -0.008 0.000 1.001 67 A HN 1.385 nan 8.150 nan 0.000 0.498 68 A N 1.726 124.533 122.820 -0.020 0.000 2.540 68 A HA 0.474 4.772 4.320 -0.036 0.000 0.239 68 A C 1.679 179.253 177.584 -0.017 0.000 1.061 68 A CA 0.817 52.841 52.037 -0.021 0.000 0.758 68 A CB -0.678 18.311 19.000 -0.019 0.000 0.991 68 A HN 2.773 nan 8.150 nan 0.000 0.502 69 G N 0.612 109.401 108.800 -0.018 0.000 2.179 69 G HA2 0.125 4.064 3.960 -0.036 0.000 0.260 69 G HA3 0.125 4.064 3.960 -0.036 0.000 0.260 69 G C 0.643 175.536 174.900 -0.013 0.000 0.977 69 G CA 0.575 45.666 45.100 -0.015 0.000 0.641 69 G HN 2.216 nan 8.290 nan 0.000 0.533 70 A N 1.155 123.967 122.820 -0.013 0.000 2.386 70 A HA 0.647 4.945 4.320 -0.036 0.000 0.248 70 A C -1.055 176.521 177.584 -0.015 0.000 1.082 70 A CA -0.346 51.686 52.037 -0.008 0.000 0.789 70 A CB 0.140 19.137 19.000 -0.006 0.000 1.025 70 A HN 0.337 nan 8.150 nan 0.000 0.490 71 P HA 0.201 nan 4.420 nan 0.000 0.267 71 P C -0.830 176.455 177.300 -0.026 0.000 1.205 71 P CA 0.275 63.361 63.100 -0.023 0.000 0.765 71 P CB 0.462 32.148 31.700 -0.024 0.000 0.828 72 R N 2.221 122.700 120.500 -0.036 0.000 2.562 72 R HA 0.259 4.577 4.340 -0.036 0.000 0.298 72 R C 1.090 177.362 176.300 -0.047 0.000 0.961 72 R CA -0.968 55.108 56.100 -0.040 0.000 0.881 72 R CB 1.672 31.945 30.300 -0.045 0.000 1.159 72 R HN 0.314 nan 8.270 nan 0.000 0.450 73 L N 2.766 123.960 121.223 -0.048 0.000 2.017 73 L HA -0.091 4.227 4.340 -0.036 0.000 0.208 73 L C 0.247 177.082 176.870 -0.058 0.000 1.073 73 L CA 1.871 56.679 54.840 -0.054 0.000 0.745 73 L CB -0.267 41.761 42.059 -0.051 0.000 0.894 73 L HN 0.846 nan 8.230 nan 0.000 0.432 74 N N -2.454 116.209 118.700 -0.061 0.000 2.927 74 N HA 0.455 5.173 4.740 -0.036 0.000 0.248 74 N C -1.098 174.368 175.510 -0.073 0.000 1.443 74 N CA -0.439 52.572 53.050 -0.065 0.000 0.870 74 N CB 1.068 39.512 38.487 -0.071 0.000 1.444 74 N HN 0.099 nan 8.380 nan 0.000 0.519 75 A N 0.805 123.580 122.820 -0.074 0.000 2.407 75 A HA 0.376 4.674 4.320 -0.036 0.000 0.248 75 A C 0.496 178.013 177.584 -0.112 0.000 1.082 75 A CA -0.473 51.515 52.037 -0.082 0.000 0.785 75 A CB -0.063 18.894 19.000 -0.072 0.000 1.020 75 A HN 0.563 nan 8.150 nan 0.000 0.489 76 L N 1.394 122.545 121.223 -0.121 0.000 2.525 76 L HA 0.092 4.410 4.340 -0.036 0.000 0.278 76 L C 1.584 178.339 176.870 -0.190 0.000 1.218 76 L CA 0.659 55.401 54.840 -0.163 0.000 0.878 76 L CB 0.489 42.451 42.059 -0.161 0.000 1.127 76 L HN 0.976 nan 8.230 nan 0.000 0.492 77 T N -1.161 113.243 114.554 -0.251 0.000 3.044 77 T HA 0.320 4.648 4.350 -0.036 0.000 0.260 77 T C 0.040 174.498 174.700 -0.403 0.000 1.019 77 T CA -0.095 61.841 62.100 -0.273 0.000 0.921 77 T CB 0.005 68.707 68.868 -0.276 0.000 1.053 77 T HN 0.366 nan 8.240 nan 0.000 0.533 78 V N -2.797 116.819 119.914 -0.497 0.000 3.102 78 V HA 0.798 4.896 4.120 -0.036 0.000 0.312 78 V C -3.205 172.531 176.094 -0.596 0.000 1.135 78 V CA -3.271 58.526 62.300 -0.838 0.000 1.022 78 V CB 1.326 32.632 31.823 -0.863 0.000 1.056 78 V HN -0.176 nan 8.190 nan 0.000 0.436 79 P HA 0.233 nan 4.420 nan 0.000 0.267 79 P C -2.090 175.081 177.300 -0.215 0.000 1.200 79 P CA -1.049 61.865 63.100 -0.310 0.000 0.772 79 P CB 0.062 31.645 31.700 -0.195 0.000 0.855 80 P HA -0.218 nan 4.420 nan 0.000 0.218 80 P C 1.190 178.445 177.300 -0.074 0.000 1.148 80 P CA 1.534 64.573 63.100 -0.103 0.000 0.822 80 P CB -0.107 31.550 31.700 -0.072 0.000 0.784 81 E N 0.390 120.559 120.200 -0.051 0.000 2.204 81 E HA -0.088 4.241 4.350 -0.036 0.000 0.195 81 E C 1.754 178.348 176.600 -0.009 0.000 0.990 81 E CA 1.030 57.421 56.400 -0.016 0.000 0.821 81 E CB -1.355 28.350 29.700 0.008 0.000 0.750 81 E HN 0.131 nan 8.360 nan 0.000 0.477 82 V N 1.501 121.390 119.914 -0.042 0.000 3.041 82 V HA -0.127 3.972 4.120 -0.036 0.000 0.260 82 V C 2.483 178.555 176.094 -0.036 0.000 1.105 82 V CA 0.822 63.109 62.300 -0.021 0.000 1.125 82 V CB -0.025 31.745 31.823 -0.088 0.000 0.730 82 V HN 0.104 nan 8.190 nan 0.000 0.479 83 V N 0.610 120.484 119.914 -0.066 0.000 2.594 83 V HA -0.172 3.926 4.120 -0.036 0.000 0.253 83 V C 1.822 177.904 176.094 -0.020 0.000 1.069 83 V CA 1.970 64.234 62.300 -0.060 0.000 1.082 83 V CB -0.726 31.051 31.823 -0.076 0.000 0.680 83 V HN 0.634 nan 8.190 nan 0.000 0.469 84 N N 0.454 119.161 118.700 0.012 0.000 2.378 84 N HA 0.019 4.737 4.740 -0.036 0.000 0.243 84 N C 1.202 176.762 175.510 0.084 0.000 1.137 84 N CA 0.034 53.116 53.050 0.054 0.000 0.862 84 N CB -0.545 37.971 38.487 0.049 0.000 1.116 84 N HN 0.369 nan 8.380 nan 0.000 0.499 85 N N 0.397 119.152 118.700 0.092 0.000 2.061 85 N HA -0.150 4.568 4.740 -0.036 0.000 0.193 85 N C 1.408 177.015 175.510 0.161 0.000 1.030 85 N CA 1.514 54.645 53.050 0.134 0.000 0.856 85 N CB 0.052 38.633 38.487 0.158 0.000 1.023 85 N HN 0.215 nan 8.380 nan 0.000 0.424 86 M N -0.330 119.378 119.600 0.181 0.000 2.175 86 M HA 0.056 4.515 4.480 -0.036 0.000 0.264 86 M C 2.161 178.548 176.300 0.145 0.000 1.063 86 M CA 1.216 56.634 55.300 0.196 0.000 1.119 86 M CB -1.602 31.134 32.600 0.227 0.000 1.377 86 M HN 0.316 nan 8.290 nan 0.000 0.415 87 G N 0.688 109.569 108.800 0.135 0.000 2.418 87 G HA2 -0.237 3.702 3.960 -0.036 0.000 0.217 87 G HA3 -0.237 3.702 3.960 -0.036 0.000 0.217 87 G C 1.438 176.382 174.900 0.072 0.000 1.158 87 G CA 0.771 45.928 45.100 0.095 0.000 0.771 87 G HN 0.403 nan 8.290 nan 0.000 0.545 88 N N 0.734 119.479 118.700 0.074 0.000 2.142 88 N HA -0.037 4.682 4.740 -0.036 0.000 0.186 88 N C 2.239 177.773 175.510 0.040 0.000 1.023 88 N CA 0.755 53.835 53.050 0.050 0.000 0.852 88 N CB -0.287 38.230 38.487 0.050 0.000 0.998 88 N HN 0.346 nan 8.380 nan 0.000 0.424 89 I N 1.285 121.894 120.570 0.066 0.000 2.163 89 I HA -0.269 3.879 4.170 -0.036 0.000 0.243 89 I C 2.344 178.496 176.117 0.059 0.000 1.085 89 I CA 1.182 62.516 61.300 0.058 0.000 1.347 89 I CB -0.324 37.739 38.000 0.105 0.000 1.044 89 I HN 0.071 nan 8.210 nan 0.000 0.408 90 A N 0.461 123.322 122.820 0.068 0.000 1.883 90 A HA -0.250 4.048 4.320 -0.036 0.000 0.217 90 A C 1.937 179.549 177.584 0.048 0.000 1.186 90 A CA 2.167 54.240 52.037 0.059 0.000 0.624 90 A CB -0.640 18.391 19.000 0.052 0.000 0.822 90 A HN 0.367 nan 8.150 nan 0.000 0.444 91 D N -0.053 120.370 120.400 0.039 0.000 2.219 91 D HA 0.011 4.629 4.640 -0.036 0.000 0.205 91 D C 1.853 178.169 176.300 0.027 0.000 0.970 91 D CA 1.300 55.316 54.000 0.027 0.000 0.851 91 D CB -0.267 40.546 40.800 0.022 0.000 0.943 91 D HN 0.454 nan 8.370 nan 0.000 0.488 92 A N -0.199 122.642 122.820 0.034 0.000 2.238 92 A HA 0.395 4.693 4.320 -0.036 0.000 0.208 92 A C 1.720 179.384 177.584 0.133 0.000 1.177 92 A CA 0.908 52.975 52.037 0.052 0.000 0.804 92 A CB -0.247 18.747 19.000 -0.010 0.000 0.823 92 A HN 0.215 nan 8.150 nan 0.000 0.482 93 G N -1.076 107.791 108.800 0.111 0.000 2.176 93 G HA2 -0.237 3.701 3.960 -0.036 0.000 0.252 93 G HA3 -0.237 3.701 3.960 -0.036 0.000 0.252 93 G C 0.495 175.549 174.900 0.256 0.000 1.024 93 G CA 0.543 45.735 45.100 0.152 0.000 0.755 93 G HN 0.517 nan 8.290 nan 0.000 0.507 94 L N -1.117 120.208 121.223 0.170 0.000 2.693 94 L HA 0.310 4.628 4.340 -0.036 0.000 0.235 94 L C 2.543 179.446 176.870 0.056 0.000 1.127 94 L CA 0.345 55.249 54.840 0.108 0.000 0.914 94 L CB 0.005 42.089 42.059 0.042 0.000 1.193 94 L HN 0.298 nan 8.230 nan 0.000 0.502 95 R N 0.983 121.524 120.500 0.069 0.000 2.073 95 R HA -0.162 4.156 4.340 -0.036 0.000 0.234 95 R C 2.126 178.456 176.300 0.050 0.000 1.134 95 R CA 1.571 57.709 56.100 0.062 0.000 0.952 95 R CB 0.093 30.436 30.300 0.071 0.000 0.850 95 R HN 0.185 nan 8.270 nan 0.000 0.433 96 K N -0.374 120.057 120.400 0.052 0.000 2.057 96 K HA -0.089 4.209 4.320 -0.036 0.000 0.207 96 K C 2.059 178.674 176.600 0.024 0.000 1.049 96 K CA 1.298 57.610 56.287 0.041 0.000 0.931 96 K CB -0.097 32.431 32.500 0.046 0.000 0.714 96 K HN 0.250 nan 8.250 nan 0.000 0.440 97 A N 0.922 123.752 122.820 0.017 0.000 1.898 97 A HA -0.107 4.191 4.320 -0.036 0.000 0.216 97 A C 2.338 179.896 177.584 -0.043 0.000 1.181 97 A CA 1.263 53.291 52.037 -0.016 0.000 0.620 97 A CB -0.570 18.408 19.000 -0.038 0.000 0.819 97 A HN 0.061 nan 8.150 nan 0.000 0.442 98 V N -0.032 119.845 119.914 -0.061 0.000 2.295 98 V HA -0.333 3.765 4.120 -0.036 0.000 0.246 98 V C 2.648 178.705 176.094 -0.062 0.000 1.049 98 V CA 2.315 64.533 62.300 -0.136 0.000 1.024 98 V CB -0.741 30.941 31.823 -0.235 0.000 0.648 98 V HN 0.578 nan 8.190 nan 0.000 0.447 99 M N -0.413 119.191 119.600 0.007 0.000 2.108 99 M HA -0.256 4.202 4.480 -0.036 0.000 0.261 99 M C 2.340 178.657 176.300 0.028 0.000 1.066 99 M CA 2.078 57.406 55.300 0.048 0.000 1.107 99 M CB -0.517 32.117 32.600 0.058 0.000 1.356 99 M HN 0.217 nan 8.290 nan 0.000 0.406 100 K N 0.428 120.835 120.400 0.010 0.000 2.097 100 K HA -0.116 4.182 4.320 -0.036 0.000 0.206 100 K C 1.838 178.436 176.600 -0.003 0.000 1.049 100 K CA 1.412 57.702 56.287 0.005 0.000 0.933 100 K CB -0.060 32.440 32.500 -0.000 0.000 0.717 100 K HN 0.305 nan 8.250 nan 0.000 0.442 101 A N 1.278 124.087 122.820 -0.018 0.000 2.066 101 A HA -0.022 4.276 4.320 -0.036 0.000 0.218 101 A C 1.783 179.364 177.584 -0.005 0.000 1.157 101 A CA 1.069 53.091 52.037 -0.025 0.000 0.670 101 A CB -0.517 18.452 19.000 -0.051 0.000 0.804 101 A HN 0.561 nan 8.150 nan 0.000 0.453 102 I N -2.107 118.474 120.570 0.019 0.000 3.941 102 I HA 0.189 4.337 4.170 -0.036 0.000 0.335 102 I C 0.380 176.521 176.117 0.041 0.000 1.402 102 I CA 0.003 61.333 61.300 0.050 0.000 1.112 102 I CB -0.320 37.761 38.000 0.135 0.000 1.043 102 I HN 0.091 nan 8.210 nan 0.000 0.395 103 T N -0.300 114.270 114.554 0.027 0.000 2.907 103 T HA 0.310 4.638 4.350 -0.036 0.000 0.298 103 T C -1.243 173.469 174.700 0.020 0.000 1.017 103 T CA -1.382 60.733 62.100 0.024 0.000 1.118 103 T CB 0.868 69.748 68.868 0.021 0.000 0.948 103 T HN 0.092 nan 8.240 nan 0.000 0.531 104 P HA 0.079 nan 4.420 nan 0.000 0.237 104 P C 1.187 178.507 177.300 0.032 0.000 1.178 104 P CA 0.609 63.729 63.100 0.034 0.000 0.766 104 P CB -0.220 31.509 31.700 0.048 0.000 0.876 105 K N 0.238 120.654 120.400 0.026 0.000 2.486 105 K HA 0.303 4.601 4.320 -0.036 0.000 0.194 105 K C 1.334 177.944 176.600 0.017 0.000 1.033 105 K CA 0.681 56.982 56.287 0.023 0.000 1.004 105 K CB -1.197 31.315 32.500 0.020 0.000 0.798 105 K HN 0.357 nan 8.250 nan 0.000 0.495 106 A N 2.861 125.688 122.820 0.012 0.000 2.567 106 A HA 0.384 4.682 4.320 -0.036 0.000 0.240 106 A C -2.042 175.547 177.584 0.009 0.000 1.053 106 A CA -0.918 51.121 52.037 0.004 0.000 0.755 106 A CB -0.439 18.557 19.000 -0.008 0.000 0.978 106 A HN 0.367 nan 8.150 nan 0.000 0.507 107 P HA 0.081 nan 4.420 nan 0.000 0.261 107 P C 1.095 178.404 177.300 0.014 0.000 1.173 107 P CA 1.734 64.840 63.100 0.011 0.000 0.760 107 P CB 0.306 32.009 31.700 0.005 0.000 0.783 108 G N 2.028 110.847 108.800 0.031 0.000 2.205 108 G HA2 -0.350 3.588 3.960 -0.036 0.000 0.261 108 G HA3 -0.350 3.588 3.960 -0.036 0.000 0.261 108 G C 0.638 175.591 174.900 0.089 0.000 0.980 108 G CA 0.371 45.502 45.100 0.052 0.000 0.632 108 G HN 0.551 nan 8.290 nan 0.000 0.533 109 L N 0.708 121.973 121.223 0.070 0.000 2.044 109 L HA 0.281 4.599 4.340 -0.036 0.000 0.205 109 L C 2.573 179.541 176.870 0.162 0.000 1.075 109 L CA 2.802 57.703 54.840 0.101 0.000 0.747 109 L CB -0.452 41.635 42.059 0.046 0.000 0.903 109 L HN 0.429 nan 8.230 nan 0.000 0.435 110 E N -0.980 119.282 120.200 0.104 0.000 2.110 110 E HA -0.294 4.034 4.350 -0.036 0.000 0.193 110 E C 2.095 178.745 176.600 0.083 0.000 0.988 110 E CA 1.179 57.632 56.400 0.088 0.000 0.804 110 E CB -0.085 29.651 29.700 0.061 0.000 0.745 110 E HN 0.449 nan 8.360 nan 0.000 0.458 111 Q N 0.458 120.311 119.800 0.089 0.000 2.119 111 Q HA -0.157 4.161 4.340 -0.036 0.000 0.201 111 Q C 1.725 177.778 176.000 0.088 0.000 0.972 111 Q CA 1.207 57.053 55.803 0.072 0.000 0.847 111 Q CB -0.389 28.390 28.738 0.068 0.000 0.903 111 Q HN 0.335 nan 8.270 nan 0.000 0.433 112 F N -0.318 119.637 119.950 0.009 0.000 2.134 112 F HA -0.158 4.347 4.527 -0.037 0.000 0.299 112 F C 1.623 177.429 175.800 0.009 0.000 1.097 112 F CA 1.233 59.239 58.000 0.010 0.000 1.264 112 F CB -0.121 38.885 39.000 0.010 0.000 1.001 112 F HN 0.117 nan 8.300 nan 0.000 0.479 113 L N 0.126 121.357 121.223 0.013 0.000 2.017 113 L HA -0.235 4.083 4.340 -0.036 0.000 0.208 113 L C 2.768 179.554 176.870 -0.140 0.000 1.073 113 L CA 1.809 56.603 54.840 -0.076 0.000 0.745 113 L CB -0.544 41.543 42.059 0.048 0.000 0.894 113 L HN 0.137 nan 8.230 nan 0.000 0.432 114 R N -0.095 120.361 120.500 -0.074 0.000 2.066 114 R HA -0.177 4.141 4.340 -0.036 0.000 0.232 114 R C 1.906 178.150 176.300 -0.093 0.000 1.131 114 R CA 1.839 57.904 56.100 -0.059 0.000 0.955 114 R CB -0.127 30.160 30.300 -0.022 0.000 0.851 114 R HN 0.306 nan 8.270 nan 0.000 0.432 115 D N -0.433 119.891 120.400 -0.126 0.000 2.123 115 D HA -0.132 4.487 4.640 -0.036 0.000 0.196 115 D C 1.749 177.932 176.300 -0.194 0.000 0.992 115 D CA 1.845 55.762 54.000 -0.138 0.000 0.833 115 D CB -0.393 40.332 40.800 -0.124 0.000 0.954 115 D HN 0.283 nan 8.370 nan 0.000 0.455 116 T N 0.673 115.021 114.554 -0.345 0.000 2.737 116 T HA -0.079 4.249 4.350 -0.036 0.000 0.265 116 T C 2.047 176.655 174.700 -0.154 0.000 1.038 116 T CA 1.491 63.388 62.100 -0.338 0.000 1.144 116 T CB -0.344 68.183 68.868 -0.569 0.000 0.866 116 T HN 0.190 nan 8.240 nan 0.000 0.434 117 A N 2.645 125.398 122.820 -0.111 0.000 1.883 117 A HA -0.201 4.098 4.320 -0.036 0.000 0.217 117 A C 2.262 179.898 177.584 0.087 0.000 1.186 117 A CA 1.688 53.765 52.037 0.066 0.000 0.624 117 A CB -0.711 18.332 19.000 0.072 0.000 0.822 117 A HN 0.397 nan 8.150 nan 0.000 0.444 118 N N -0.231 118.462 118.700 -0.011 0.000 2.166 118 N HA -0.111 4.607 4.740 -0.036 0.000 0.186 118 N C 2.043 177.522 175.510 -0.051 0.000 1.019 118 N CA 1.458 54.483 53.050 -0.041 0.000 0.856 118 N CB -0.470 37.987 38.487 -0.049 0.000 0.993 118 N HN 0.493 nan 8.380 nan 0.000 0.426 119 S N 0.790 116.459 115.700 -0.051 0.000 2.356 119 S HA 0.041 4.489 4.470 -0.036 0.000 0.223 119 S C 2.062 176.642 174.600 -0.033 0.000 1.032 119 S CA 0.562 58.735 58.200 -0.046 0.000 1.005 119 S CB -0.217 62.951 63.200 -0.053 0.000 0.867 119 S HN 0.194 nan 8.310 nan 0.000 0.449 120 L N 0.931 122.154 121.223 -0.000 0.000 2.012 120 L HA -0.142 4.176 4.340 -0.036 0.000 0.210 120 L C 2.466 179.324 176.870 -0.019 0.000 1.073 120 L CA 1.339 56.205 54.840 0.043 0.000 0.748 120 L CB -0.571 41.594 42.059 0.177 0.000 0.891 120 L HN 0.351 nan 8.230 nan 0.000 0.431 121 L N -0.758 120.416 121.223 -0.082 0.000 2.056 121 L HA -0.215 4.103 4.340 -0.036 0.000 0.207 121 L C 2.269 178.996 176.870 -0.238 0.000 1.078 121 L CA 1.010 55.685 54.840 -0.274 0.000 0.749 121 L CB -0.644 41.202 42.059 -0.355 0.000 0.901 121 L HN 0.260 nan 8.230 nan 0.000 0.433 122 D N 0.006 120.318 120.400 -0.147 0.000 2.123 122 D HA -0.167 4.451 4.640 -0.036 0.000 0.196 122 D C 1.944 178.195 176.300 -0.082 0.000 0.992 122 D CA 1.054 54.988 54.000 -0.111 0.000 0.833 122 D CB -0.326 40.433 40.800 -0.069 0.000 0.954 122 D HN 0.271 nan 8.370 nan 0.000 0.455 123 N N 0.392 119.053 118.700 -0.065 0.000 2.166 123 N HA -0.071 4.647 4.740 -0.036 0.000 0.186 123 N C 2.075 177.567 175.510 -0.031 0.000 1.019 123 N CA 0.370 53.399 53.050 -0.034 0.000 0.856 123 N CB -0.386 38.089 38.487 -0.020 0.000 0.993 123 N HN 0.267 nan 8.380 nan 0.000 0.426 124 L N 0.443 121.617 121.223 -0.083 0.000 2.056 124 L HA -0.060 4.258 4.340 -0.036 0.000 0.207 124 L C 2.100 178.966 176.870 -0.007 0.000 1.078 124 L CA 0.835 55.630 54.840 -0.076 0.000 0.749 124 L CB -0.361 41.559 42.059 -0.231 0.000 0.901 124 L HN 0.100 nan 8.230 nan 0.000 0.433 125 I N -0.545 119.946 120.570 -0.130 0.000 2.226 125 I HA -0.261 3.887 4.170 -0.036 0.000 0.245 125 I C 2.509 178.710 176.117 0.140 0.000 1.100 125 I CA 1.414 62.734 61.300 0.034 0.000 1.374 125 I CB -0.441 37.485 38.000 -0.123 0.000 1.057 125 I HN 0.241 nan 8.210 nan 0.000 0.413 126 T N -0.003 114.584 114.554 0.054 0.000 2.746 126 T HA -0.168 4.161 4.350 -0.036 0.000 0.267 126 T C 1.951 176.694 174.700 0.073 0.000 1.039 126 T CA 1.615 63.747 62.100 0.053 0.000 1.142 126 T CB -0.201 68.680 68.868 0.022 0.000 0.866 126 T HN 0.314 nan 8.240 nan 0.000 0.444 127 E N 0.010 120.260 120.200 0.083 0.000 2.204 127 E HA 0.318 4.646 4.350 -0.036 0.000 0.194 127 E C 1.175 177.835 176.600 0.101 0.000 0.989 127 E CA 0.301 56.748 56.400 0.079 0.000 0.824 127 E CB -0.771 28.973 29.700 0.072 0.000 0.756 127 E HN 0.829 nan 8.360 nan 0.000 0.477 128 G N 0.021 108.935 108.800 0.189 0.000 2.692 128 G HA2 0.108 4.046 3.960 -0.036 0.000 0.686 128 G HA3 0.108 4.046 3.960 -0.036 0.000 0.686 128 G C 0.035 174.969 174.900 0.057 0.000 1.243 128 G CA -0.705 44.478 45.100 0.138 0.000 0.782 128 G HN 0.852 nan 8.290 nan 0.000 0.625 129 A N 2.723 125.337 122.820 -0.343 0.000 2.466 129 A HA 0.720 5.018 4.320 -0.036 0.000 0.238 129 A C -0.496 176.955 177.584 -0.221 0.000 1.074 129 A CA 0.147 51.868 52.037 -0.526 0.000 0.774 129 A CB -0.204 18.171 19.000 -1.042 0.000 1.015 129 A HN 1.118 nan 8.150 nan 0.000 0.498 130 P HA 0.569 nan 4.420 nan 0.000 0.281 130 P C -0.717 176.633 177.300 0.083 0.000 1.249 130 P CA -0.149 62.912 63.100 -0.065 0.000 0.810 130 P CB 1.448 33.121 31.700 -0.045 0.000 1.008 131 A N 0.885 123.830 122.820 0.210 0.000 2.380 131 A HA 0.469 4.767 4.320 -0.036 0.000 0.315 131 A C -0.783 176.867 177.584 0.109 0.000 1.101 131 A CA -0.494 51.665 52.037 0.203 0.000 0.771 131 A CB 1.014 20.188 19.000 0.290 0.000 1.287 131 A HN 0.524 nan 8.150 nan 0.000 0.436 132 D N 2.159 122.597 120.400 0.064 0.000 2.443 132 D HA 0.313 4.931 4.640 -0.036 0.000 0.221 132 D C 0.620 176.948 176.300 0.047 0.000 1.097 132 D CA -0.233 53.789 54.000 0.036 0.000 0.865 132 D CB 0.530 41.340 40.800 0.016 0.000 1.034 132 D HN 0.398 nan 8.370 nan 0.000 0.511 133 L N 3.119 124.373 121.223 0.052 0.000 2.465 133 L HA 0.018 4.336 4.340 -0.036 0.000 0.224 133 L C 2.300 179.244 176.870 0.124 0.000 1.145 133 L CA 0.341 55.245 54.840 0.106 0.000 0.834 133 L CB -0.034 42.077 42.059 0.087 0.000 0.944 133 L HN 0.366 nan 8.230 nan 0.000 0.451 134 R N 0.365 120.892 120.500 0.046 0.000 2.048 134 R HA -0.046 4.272 4.340 -0.036 0.000 0.224 134 R C 2.001 178.304 176.300 0.005 0.000 1.163 134 R CA 0.978 57.090 56.100 0.020 0.000 0.956 134 R CB 0.046 30.337 30.300 -0.016 0.000 0.849 134 R HN 0.284 nan 8.270 nan 0.000 0.435 135 N N 0.643 119.342 118.700 -0.001 0.000 2.309 135 N HA -0.099 4.619 4.740 -0.036 0.000 0.182 135 N C 0.012 175.502 175.510 -0.033 0.000 1.018 135 N CA 1.058 54.095 53.050 -0.022 0.000 0.876 135 N CB 0.131 38.616 38.487 -0.004 0.000 0.972 135 N HN 0.321 nan 8.380 nan 0.000 0.434 136 D N -1.497 118.912 120.400 0.015 0.000 2.479 136 D HA 0.153 4.771 4.640 -0.036 0.000 0.218 136 D C 0.470 176.842 176.300 0.120 0.000 1.177 136 D CA -0.124 53.896 54.000 0.033 0.000 0.830 136 D CB 0.410 41.229 40.800 0.032 0.000 1.014 136 D HN 0.199 nan 8.370 nan 0.000 0.503 137 F N 0.339 120.242 119.950 -0.077 0.000 1.835 137 F HA 0.283 4.789 4.527 -0.036 0.000 0.231 137 F C 1.840 177.604 175.800 -0.061 0.000 1.216 137 F CA 0.272 58.223 58.000 -0.081 0.000 1.310 137 F CB -0.091 38.854 39.000 -0.092 0.000 1.827 137 F HN -0.135 nan 8.300 nan 0.000 0.352 138 A N 0.409 123.104 122.820 -0.209 0.000 1.877 138 A HA -0.125 4.173 4.320 -0.036 0.000 0.216 138 A C 1.629 179.121 177.584 -0.154 0.000 1.186 138 A CA 2.317 54.181 52.037 -0.288 0.000 0.620 138 A CB -0.960 18.001 19.000 -0.065 0.000 0.822 138 A HN 0.535 nan 8.150 nan 0.000 0.443 139 D N -0.580 119.744 120.400 -0.125 0.000 2.103 139 D HA -0.048 4.570 4.640 -0.036 0.000 0.199 139 D C -0.468 175.672 176.300 -0.266 0.000 0.978 139 D CA 1.369 55.264 54.000 -0.176 0.000 0.829 139 D CB -1.520 39.142 40.800 -0.231 0.000 0.981 139 D HN 0.282 nan 8.370 nan 0.000 0.464 140 P HA -0.109 nan 4.420 nan 0.000 0.216 140 P C 1.698 178.928 177.300 -0.117 0.000 1.150 140 P CA 0.636 63.618 63.100 -0.196 0.000 0.837 140 P CB 0.050 31.666 31.700 -0.140 0.000 0.786 141 L N -0.204 120.923 121.223 -0.161 0.000 2.046 141 L HA -0.091 4.227 4.340 -0.036 0.000 0.208 141 L C 2.303 179.239 176.870 0.111 0.000 1.077 141 L CA 2.037 56.810 54.840 -0.111 0.000 0.747 141 L CB -1.535 40.302 42.059 -0.369 0.000 0.896 141 L HN -0.111 nan 8.230 nan 0.000 0.432 142 A N -1.707 121.205 122.820 0.154 0.000 1.902 142 A HA -0.215 4.084 4.320 -0.036 0.000 0.217 142 A C 2.274 179.927 177.584 0.115 0.000 1.181 142 A CA 2.370 54.448 52.037 0.069 0.000 0.623 142 A CB -1.205 17.730 19.000 -0.108 0.000 0.818 142 A HN 0.505 nan 8.150 nan 0.000 0.443 143 T N 0.201 114.771 114.554 0.026 0.000 2.708 143 T HA 0.004 4.332 4.350 -0.036 0.000 0.266 143 T C 2.259 177.082 174.700 0.205 0.000 1.037 143 T CA 1.621 63.773 62.100 0.085 0.000 1.146 143 T CB -0.484 68.406 68.868 0.037 0.000 0.865 143 T HN 0.600 nan 8.240 nan 0.000 0.435 144 A N 1.441 124.366 122.820 0.175 0.000 1.877 144 A HA -0.037 4.262 4.320 -0.036 0.000 0.216 144 A C 2.254 180.062 177.584 0.372 0.000 1.186 144 A CA 1.440 53.644 52.037 0.277 0.000 0.620 144 A CB -0.903 18.227 19.000 0.216 0.000 0.822 144 A HN 0.410 nan 8.150 nan 0.000 0.443 145 L N -0.611 120.796 121.223 0.306 0.000 2.013 145 L HA -0.215 4.103 4.340 -0.036 0.000 0.212 145 L C 2.207 179.079 176.870 0.003 0.000 1.073 145 L CA 2.690 57.653 54.840 0.206 0.000 0.753 145 L CB -0.902 41.223 42.059 0.111 0.000 0.890 145 L HN 0.542 nan 8.230 nan 0.000 0.432 146 H N -2.169 116.950 119.070 0.082 0.000 2.462 146 H HA -0.038 4.497 4.556 -0.035 0.000 0.292 146 H C 2.311 177.770 175.328 0.218 0.000 1.049 146 H CA 1.449 57.543 56.048 0.078 0.000 1.334 146 H CB -0.465 29.204 29.762 -0.156 0.000 1.404 146 H HN 0.406 nan 8.280 nan 0.000 0.544 147 C N 0.404 119.907 119.300 0.338 0.000 2.432 147 C HA -0.115 4.323 4.460 -0.036 0.000 0.277 147 C C 2.647 177.686 174.990 0.082 0.000 1.249 147 C CA 1.105 60.277 59.018 0.258 0.000 1.725 147 C CB -0.392 27.487 27.740 0.232 0.000 2.028 147 C HN 0.471 nan 8.230 nan 0.000 0.477 148 K N 1.165 121.541 120.400 -0.041 0.000 2.026 148 K HA -0.102 4.196 4.320 -0.036 0.000 0.208 148 K C 1.766 178.287 176.600 -0.131 0.000 1.048 148 K CA 1.548 57.690 56.287 -0.242 0.000 0.929 148 K CB -0.603 31.525 32.500 -0.619 0.000 0.713 148 K HN 0.290 nan 8.250 nan 0.000 0.439 149 V N 0.593 120.462 119.914 -0.076 0.000 2.407 149 V HA -0.201 3.897 4.120 -0.036 0.000 0.248 149 V C 2.036 178.136 176.094 0.010 0.000 1.055 149 V CA 1.472 63.743 62.300 -0.047 0.000 1.049 149 V CB -0.380 31.395 31.823 -0.080 0.000 0.662 149 V HN 0.224 nan 8.190 nan 0.000 0.455 150 L N 0.305 121.574 121.223 0.077 0.000 2.313 150 L HA 0.237 4.555 4.340 -0.036 0.000 0.214 150 L C 1.834 178.726 176.870 0.037 0.000 1.119 150 L CA 1.636 56.533 54.840 0.096 0.000 0.809 150 L CB -0.755 41.425 42.059 0.201 0.000 0.933 150 L HN 0.506 nan 8.230 nan 0.000 0.449 151 G N -0.058 108.747 108.800 0.008 0.000 2.136 151 G HA2 -0.259 3.679 3.960 -0.036 0.000 0.242 151 G HA3 -0.259 3.679 3.960 -0.036 0.000 0.242 151 G C 0.429 175.329 174.900 -0.000 0.000 0.989 151 G CA 0.389 45.477 45.100 -0.020 0.000 0.682 151 G HN 0.444 nan 8.290 nan 0.000 0.522 152 I N -2.310 118.287 120.570 0.045 0.000 2.676 152 I HA 0.777 4.925 4.170 -0.036 0.000 0.309 152 I C -2.220 173.943 176.117 0.076 0.000 0.990 152 I CA -3.204 58.141 61.300 0.075 0.000 1.168 152 I CB 1.370 39.464 38.000 0.157 0.000 1.343 152 I HN -0.157 nan 8.210 nan 0.000 0.482 153 P HA 0.050 nan 4.420 nan 0.000 0.265 153 P C 0.081 177.434 177.300 0.088 0.000 1.193 153 P CA -0.117 63.027 63.100 0.073 0.000 0.765 153 P CB 0.518 32.263 31.700 0.074 0.000 0.823 154 Q N 2.706 122.558 119.800 0.087 0.000 2.135 154 Q HA -0.224 4.094 4.340 -0.036 0.000 0.204 154 Q C 1.637 177.692 176.000 0.091 0.000 0.981 154 Q CA 1.859 57.730 55.803 0.113 0.000 0.856 154 Q CB -0.288 28.529 28.738 0.133 0.000 0.902 154 Q HN 0.711 nan 8.270 nan 0.000 0.425 155 E N 0.189 120.430 120.200 0.068 0.000 2.409 155 E HA -0.149 4.179 4.350 -0.036 0.000 0.198 155 E C 0.452 177.069 176.600 0.028 0.000 1.024 155 E CA 0.967 57.396 56.400 0.049 0.000 0.861 155 E CB 0.041 29.765 29.700 0.041 0.000 0.788 155 E HN 0.158 nan 8.360 nan 0.000 0.521 156 D N 0.898 121.312 120.400 0.024 0.000 2.348 156 D HA 0.018 4.637 4.640 -0.036 0.000 0.211 156 D C 1.823 178.053 176.300 -0.116 0.000 0.998 156 D CA 0.875 54.835 54.000 -0.068 0.000 0.873 156 D CB -0.011 40.764 40.800 -0.042 0.000 0.925 156 D HN 0.380 nan 8.370 nan 0.000 0.524 157 G N 2.072 110.882 108.800 0.017 0.000 2.433 157 G HA2 -0.194 3.744 3.960 -0.036 0.000 0.216 157 G HA3 -0.194 3.744 3.960 -0.036 0.000 0.216 157 G C -0.651 174.345 174.900 0.160 0.000 1.186 157 G CA 0.386 45.563 45.100 0.128 0.000 0.779 157 G HN 0.277 nan 8.290 nan 0.000 0.543 158 P HA -0.132 nan 4.420 nan 0.000 0.215 158 P C 2.229 179.622 177.300 0.154 0.000 1.157 158 P CA 2.570 65.758 63.100 0.147 0.000 0.874 158 P CB -0.173 31.572 31.700 0.075 0.000 0.790 159 K N -0.467 119.948 120.400 0.025 0.000 2.057 159 K HA -0.067 4.231 4.320 -0.036 0.000 0.206 159 K C 2.181 178.742 176.600 -0.066 0.000 1.050 159 K CA 1.286 57.555 56.287 -0.029 0.000 0.935 159 K CB -2.041 30.399 32.500 -0.099 0.000 0.715 159 K HN 0.152 nan 8.250 nan 0.000 0.439 160 L N -0.583 120.531 121.223 -0.181 0.000 2.046 160 L HA 0.035 4.353 4.340 -0.036 0.000 0.208 160 L C 2.684 179.613 176.870 0.099 0.000 1.077 160 L CA 1.981 56.658 54.840 -0.272 0.000 0.747 160 L CB -0.681 40.839 42.059 -0.898 0.000 0.896 160 L HN 0.266 nan 8.230 nan 0.000 0.432 161 F N 1.391 121.455 119.950 0.189 0.000 2.126 161 F HA -0.301 4.206 4.527 -0.034 0.000 0.299 161 F C 2.816 178.710 175.800 0.156 0.000 1.096 161 F CA 2.114 60.276 58.000 0.270 0.000 1.255 161 F CB -0.486 38.634 39.000 0.201 0.000 0.997 161 F HN -0.054 nan 8.300 nan 0.000 0.479 162 R N 0.061 120.582 120.500 0.036 0.000 2.189 162 R HA -0.048 4.270 4.340 -0.036 0.000 0.223 162 R C 2.174 178.424 176.300 -0.084 0.000 1.092 162 R CA 1.529 57.599 56.100 -0.051 0.000 0.989 162 R CB -1.914 28.418 30.300 0.053 0.000 0.876 162 R HN 0.442 nan 8.270 nan 0.000 0.457 163 S N 0.903 116.580 115.700 -0.038 0.000 2.442 163 S HA 0.016 4.464 4.470 -0.036 0.000 0.236 163 S C 1.907 176.527 174.600 0.034 0.000 1.007 163 S CA 1.201 59.409 58.200 0.012 0.000 0.965 163 S CB -0.183 63.049 63.200 0.053 0.000 0.773 163 S HN 0.540 nan 8.310 nan 0.000 0.504 164 L N 1.615 122.816 121.223 -0.037 0.000 2.217 164 L HA -0.033 4.285 4.340 -0.036 0.000 0.211 164 L C 2.554 179.558 176.870 0.223 0.000 1.107 164 L CA 1.112 56.018 54.840 0.109 0.000 0.783 164 L CB -0.769 41.265 42.059 -0.041 0.000 0.919 164 L HN 0.394 nan 8.230 nan 0.000 0.442 165 S N -0.302 115.416 115.700 0.029 0.000 2.469 165 S HA -0.068 4.380 4.470 -0.036 0.000 0.238 165 S C 1.700 176.442 174.600 0.236 0.000 0.998 165 S CA 0.833 59.070 58.200 0.062 0.000 0.957 165 S CB -0.284 62.844 63.200 -0.120 0.000 0.764 165 S HN 0.441 nan 8.310 nan 0.000 0.514 166 I N 0.687 121.362 120.570 0.175 0.000 3.300 166 I HA 0.239 4.387 4.170 -0.036 0.000 0.279 166 I C 2.796 178.971 176.117 0.097 0.000 1.172 166 I CA 0.584 61.964 61.300 0.134 0.000 1.431 166 I CB -0.373 37.665 38.000 0.063 0.000 1.240 166 I HN 0.338 nan 8.210 nan 0.000 0.453 167 A N 0.831 123.701 122.820 0.083 0.000 1.972 167 A HA -0.136 4.162 4.320 -0.036 0.000 0.219 167 A C 1.596 178.958 177.584 -0.370 0.000 1.169 167 A CA 1.596 53.579 52.037 -0.091 0.000 0.635 167 A CB -0.710 18.276 19.000 -0.024 0.000 0.810 167 A HN 0.414 nan 8.150 nan 0.000 0.446 168 F N -0.529 119.350 119.950 -0.118 0.000 2.668 168 F HA 0.366 4.873 4.527 -0.035 0.000 0.297 168 F C 0.790 176.166 175.800 -0.708 0.000 1.124 168 F CA -0.275 57.445 58.000 -0.467 0.000 1.353 168 F CB -0.256 38.347 39.000 -0.662 0.000 0.992 168 F HN 0.041 nan 8.300 nan 0.000 0.524 169 M N -0.108 119.422 119.600 -0.117 0.000 2.250 169 M HA 0.023 4.481 4.480 -0.036 0.000 0.325 169 M C 0.702 176.936 176.300 -0.110 0.000 1.084 169 M CA 0.440 55.748 55.300 0.013 0.000 1.161 169 M CB 0.652 33.313 32.600 0.101 0.000 1.481 169 M HN -0.072 nan 8.290 nan 0.000 0.449 170 S N 1.679 117.352 115.700 -0.045 0.000 2.516 170 S HA 0.368 4.816 4.470 -0.036 0.000 0.268 170 S C -0.785 173.801 174.600 -0.023 0.000 1.251 170 S CA -0.529 57.635 58.200 -0.060 0.000 1.153 170 S CB 0.498 63.663 63.200 -0.059 0.000 1.009 170 S HN 0.661 nan 8.310 nan 0.000 0.479 171 S N 3.153 118.832 115.700 -0.036 0.000 2.537 171 S HA 0.721 5.169 4.470 -0.036 0.000 0.301 171 S C 1.137 175.717 174.600 -0.033 0.000 1.092 171 S CA -0.184 58.002 58.200 -0.023 0.000 1.048 171 S CB 1.427 64.613 63.200 -0.023 0.000 1.053 171 S HN 0.826 nan 8.310 nan 0.000 0.501 172 A N 2.862 125.667 122.820 -0.025 0.000 2.015 172 A HA 0.165 4.463 4.320 -0.036 0.000 0.219 172 A C 0.379 177.944 177.584 -0.032 0.000 1.163 172 A CA 1.009 53.028 52.037 -0.029 0.000 0.646 172 A CB -0.270 18.716 19.000 -0.023 0.000 0.806 172 A HN 0.807 nan 8.150 nan 0.000 0.448 173 D N -1.338 119.044 120.400 -0.030 0.000 2.527 173 D HA 0.470 5.088 4.640 -0.036 0.000 0.233 173 D C -2.969 173.309 176.300 -0.038 0.000 1.063 173 D CA -1.642 52.340 54.000 -0.031 0.000 0.880 173 D CB 0.967 41.754 40.800 -0.022 0.000 1.457 173 D HN -0.145 nan 8.370 nan 0.000 0.475 174 P HA 0.113 nan 4.420 nan 0.000 0.266 174 P C -0.406 176.872 177.300 -0.037 0.000 1.193 174 P CA 0.236 63.307 63.100 -0.049 0.000 0.770 174 P CB 0.524 32.196 31.700 -0.047 0.000 0.836 175 I N 4.411 124.956 120.570 -0.041 0.000 2.390 175 I HA 0.212 4.360 4.170 -0.036 0.000 0.283 175 I C -1.569 174.538 176.117 -0.017 0.000 1.016 175 I CA -2.128 59.158 61.300 -0.024 0.000 1.151 175 I CB 1.824 39.810 38.000 -0.024 0.000 1.293 175 I HN 0.237 nan 8.210 nan 0.000 0.458 176 P HA -0.197 nan 4.420 nan 0.000 0.216 176 P C 1.557 178.864 177.300 0.012 0.000 1.150 176 P CA 1.104 64.204 63.100 0.001 0.000 0.837 176 P CB 0.339 32.041 31.700 0.003 0.000 0.786 177 A N -0.154 122.674 122.820 0.014 0.000 1.972 177 A HA -0.088 4.210 4.320 -0.036 0.000 0.219 177 A C 2.284 179.890 177.584 0.036 0.000 1.169 177 A CA 1.837 53.889 52.037 0.024 0.000 0.635 177 A CB -1.473 17.539 19.000 0.021 0.000 0.810 177 A HN 0.202 nan 8.150 nan 0.000 0.446 178 A N 0.043 122.876 122.820 0.023 0.000 1.902 178 A HA -0.179 4.119 4.320 -0.036 0.000 0.217 178 A C 2.123 179.754 177.584 0.080 0.000 1.181 178 A CA 2.006 54.061 52.037 0.030 0.000 0.623 178 A CB -0.420 18.562 19.000 -0.031 0.000 0.818 178 A HN 0.576 nan 8.150 nan 0.000 0.443 179 K N -0.260 120.173 120.400 0.054 0.000 2.057 179 K HA -0.042 4.256 4.320 -0.036 0.000 0.206 179 K C 1.803 178.488 176.600 0.141 0.000 1.050 179 K CA 1.342 57.688 56.287 0.098 0.000 0.935 179 K CB -0.317 32.209 32.500 0.043 0.000 0.715 179 K HN 0.482 nan 8.250 nan 0.000 0.439 180 I N 1.690 122.313 120.570 0.088 0.000 2.163 180 I HA -0.328 3.820 4.170 -0.036 0.000 0.243 180 I C 1.925 178.091 176.117 0.082 0.000 1.085 180 I CA 1.205 62.548 61.300 0.073 0.000 1.347 180 I CB -0.424 37.603 38.000 0.045 0.000 1.044 180 I HN 0.264 nan 8.210 nan 0.000 0.408 181 N N 0.139 118.893 118.700 0.091 0.000 2.142 181 N HA -0.206 4.512 4.740 -0.036 0.000 0.186 181 N C 1.526 177.100 175.510 0.107 0.000 1.023 181 N CA 1.063 54.160 53.050 0.077 0.000 0.852 181 N CB -0.438 38.093 38.487 0.074 0.000 0.998 181 N HN 0.538 nan 8.380 nan 0.000 0.424 182 W N 2.540 123.835 121.300 -0.007 0.000 2.333 182 W HA -0.188 4.456 4.660 -0.028 0.000 0.316 182 W C 0.779 177.306 176.519 0.014 0.000 1.215 182 W CA 1.374 58.719 57.345 -0.000 0.000 1.278 182 W CB -0.212 29.239 29.460 -0.015 0.000 1.154 182 W HN 0.043 nan 8.180 nan 0.000 0.486 183 D N -0.216 120.260 120.400 0.127 0.000 2.117 183 D HA -0.166 4.452 4.640 -0.036 0.000 0.197 183 D C 2.367 178.633 176.300 -0.057 0.000 0.987 183 D CA 1.776 55.792 54.000 0.026 0.000 0.829 183 D CB -0.685 40.178 40.800 0.105 0.000 0.961 183 D HN 0.009 nan 8.370 nan 0.000 0.460 184 R N 0.838 121.322 120.500 -0.027 0.000 2.081 184 R HA -0.107 4.211 4.340 -0.036 0.000 0.235 184 R C 1.492 177.758 176.300 -0.057 0.000 1.131 184 R CA 1.564 57.647 56.100 -0.028 0.000 0.960 184 R CB -0.840 29.452 30.300 -0.013 0.000 0.856 184 R HN 0.232 nan 8.270 nan 0.000 0.436 185 D N 0.204 120.532 120.400 -0.121 0.000 2.144 185 D HA -0.002 4.617 4.640 -0.036 0.000 0.200 185 D C 2.012 178.208 176.300 -0.172 0.000 0.978 185 D CA 1.256 55.169 54.000 -0.144 0.000 0.833 185 D CB -0.199 40.487 40.800 -0.190 0.000 0.961 185 D HN 0.297 nan 8.370 nan 0.000 0.470 186 I N 1.386 121.745 120.570 -0.353 0.000 2.226 186 I HA -0.185 3.963 4.170 -0.036 0.000 0.245 186 I C 2.168 178.205 176.117 -0.135 0.000 1.100 186 I CA 1.128 62.237 61.300 -0.319 0.000 1.374 186 I CB -0.673 37.071 38.000 -0.428 0.000 1.057 186 I HN 0.005 nan 8.210 nan 0.000 0.413 187 E N 0.095 120.244 120.200 -0.086 0.000 2.085 187 E HA -0.263 4.065 4.350 -0.036 0.000 0.194 187 E C 2.084 178.670 176.600 -0.023 0.000 0.994 187 E CA 1.248 57.625 56.400 -0.038 0.000 0.801 187 E CB -0.684 29.008 29.700 -0.013 0.000 0.743 187 E HN 0.577 nan 8.360 nan 0.000 0.453 188 Y N 0.912 121.148 120.300 -0.107 0.000 2.128 188 Y HA -0.227 4.301 4.550 -0.037 0.000 0.284 188 Y C 2.219 178.062 175.900 -0.095 0.000 1.154 188 Y CA 1.761 59.802 58.100 -0.098 0.000 1.149 188 Y CB -0.150 38.239 38.460 -0.117 0.000 0.976 188 Y HN -0.065 nan 8.280 nan 0.000 0.505 189 M N 0.049 119.575 119.600 -0.124 0.000 2.175 189 M HA -0.114 4.344 4.480 -0.036 0.000 0.264 189 M C 2.461 178.649 176.300 -0.187 0.000 1.063 189 M CA 1.472 56.660 55.300 -0.185 0.000 1.119 189 M CB -1.705 30.869 32.600 -0.044 0.000 1.377 189 M HN 0.502 nan 8.290 nan 0.000 0.415 190 A N 0.387 123.127 122.820 -0.132 0.000 1.902 190 A HA -0.032 4.266 4.320 -0.036 0.000 0.217 190 A C 2.435 179.934 177.584 -0.141 0.000 1.181 190 A CA 1.995 53.972 52.037 -0.100 0.000 0.623 190 A CB -1.427 17.536 19.000 -0.061 0.000 0.818 190 A HN 0.505 nan 8.150 nan 0.000 0.443 191 G N -0.127 108.561 108.800 -0.186 0.000 2.422 191 G HA2 -0.151 3.787 3.960 -0.036 0.000 0.218 191 G HA3 -0.151 3.787 3.960 -0.036 0.000 0.218 191 G C 1.404 176.156 174.900 -0.246 0.000 1.146 191 G CA 1.027 46.009 45.100 -0.197 0.000 0.769 191 G HN 0.365 nan 8.290 nan 0.000 0.547 192 I N 0.791 121.141 120.570 -0.366 0.000 2.226 192 I HA -0.094 4.054 4.170 -0.036 0.000 0.245 192 I C 2.770 178.764 176.117 -0.205 0.000 1.100 192 I CA 0.966 62.072 61.300 -0.323 0.000 1.374 192 I CB -0.846 36.914 38.000 -0.400 0.000 1.057 192 I HN 0.169 nan 8.210 nan 0.000 0.413 193 L N 0.056 121.169 121.223 -0.184 0.000 2.201 193 L HA -0.149 4.169 4.340 -0.036 0.000 0.212 193 L C 2.228 179.006 176.870 -0.153 0.000 1.105 193 L CA 0.983 55.721 54.840 -0.169 0.000 0.775 193 L CB -0.371 41.590 42.059 -0.164 0.000 0.913 193 L HN 0.200 nan 8.230 nan 0.000 0.440 194 E N -0.580 119.539 120.200 -0.135 0.000 2.474 194 E HA 0.008 4.336 4.350 -0.036 0.000 0.194 194 E C 0.314 176.854 176.600 -0.100 0.000 1.041 194 E CA -0.001 56.334 56.400 -0.108 0.000 0.874 194 E CB -0.048 29.597 29.700 -0.091 0.000 0.914 194 E HN 0.253 nan 8.360 nan 0.000 0.498 195 N N 2.401 121.033 118.700 -0.113 0.000 2.401 195 N HA 0.031 4.749 4.740 -0.036 0.000 0.255 195 N C -1.690 173.769 175.510 -0.085 0.000 1.110 195 N CA -1.688 51.304 53.050 -0.097 0.000 0.949 195 N CB 1.322 39.740 38.487 -0.114 0.000 1.110 195 N HN -0.151 nan 8.380 nan 0.000 0.490 196 P HA -0.048 nan 4.420 nan 0.000 0.226 196 P C 0.315 177.582 177.300 -0.055 0.000 1.153 196 P CA 0.743 63.806 63.100 -0.061 0.000 0.777 196 P CB 0.487 32.157 31.700 -0.050 0.000 0.794 197 N N 0.024 118.693 118.700 -0.052 0.000 2.453 197 N HA -0.023 4.695 4.740 -0.036 0.000 0.183 197 N C 0.686 176.166 175.510 -0.049 0.000 1.041 197 N CA 0.676 53.699 53.050 -0.044 0.000 0.900 197 N CB -0.150 38.316 38.487 -0.035 0.000 0.961 197 N HN 0.217 nan 8.380 nan 0.000 0.443 198 I N 1.792 122.324 120.570 -0.063 0.000 2.269 198 I HA 0.071 4.220 4.170 -0.036 0.000 0.293 198 I C 1.151 177.226 176.117 -0.071 0.000 1.106 198 I CA 0.312 61.572 61.300 -0.067 0.000 1.248 198 I CB 0.031 37.981 38.000 -0.085 0.000 1.444 198 I HN -0.008 nan 8.210 nan 0.000 0.497 199 T N -0.072 114.446 114.554 -0.060 0.000 3.004 199 T HA 0.128 4.457 4.350 -0.036 0.000 0.266 199 T C 0.713 175.379 174.700 -0.058 0.000 0.986 199 T CA -0.041 62.023 62.100 -0.061 0.000 0.902 199 T CB 0.282 69.119 68.868 -0.051 0.000 1.118 199 T HN 0.512 nan 8.240 nan 0.000 0.522 200 T N -1.486 113.035 114.554 -0.055 0.000 2.910 200 T HA 0.712 5.040 4.350 -0.036 0.000 0.287 200 T C 0.810 175.478 174.700 -0.054 0.000 1.050 200 T CA -0.074 61.993 62.100 -0.054 0.000 1.011 200 T CB 1.242 70.077 68.868 -0.055 0.000 1.195 200 T HN 1.209 nan 8.240 nan 0.000 0.540 201 G N 0.346 109.115 108.800 -0.052 0.000 2.697 201 G HA2 -0.147 3.791 3.960 -0.036 0.000 0.240 201 G HA3 -0.147 3.791 3.960 -0.036 0.000 0.240 201 G C 0.440 175.314 174.900 -0.045 0.000 1.346 201 G CA 0.145 45.218 45.100 -0.045 0.000 0.887 201 G HN 1.488 nan 8.290 nan 0.000 0.569 202 L N -0.533 120.671 121.223 -0.033 0.000 2.017 202 L HA 0.034 4.352 4.340 -0.036 0.000 0.208 202 L C 2.950 179.788 176.870 -0.054 0.000 1.073 202 L CA 3.134 57.944 54.840 -0.049 0.000 0.745 202 L CB -0.447 41.586 42.059 -0.043 0.000 0.894 202 L HN 0.632 nan 8.230 nan 0.000 0.432 203 M N -0.714 118.865 119.600 -0.035 0.000 2.254 203 M HA 0.033 4.491 4.480 -0.036 0.000 0.265 203 M C 2.278 178.524 176.300 -0.090 0.000 1.066 203 M CA 1.276 56.543 55.300 -0.055 0.000 1.123 203 M CB -2.175 30.401 32.600 -0.040 0.000 1.388 203 M HN 0.397 nan 8.290 nan 0.000 0.425 204 G N -0.070 108.683 108.800 -0.079 0.000 2.418 204 G HA2 -0.237 3.701 3.960 -0.036 0.000 0.217 204 G HA3 -0.237 3.701 3.960 -0.036 0.000 0.217 204 G C 1.575 176.410 174.900 -0.108 0.000 1.158 204 G CA 1.108 46.154 45.100 -0.090 0.000 0.771 204 G HN 0.440 nan 8.290 nan 0.000 0.545 205 E N 0.510 120.650 120.200 -0.100 0.000 2.047 205 E HA 0.011 4.339 4.350 -0.036 0.000 0.191 205 E C 2.539 179.044 176.600 -0.159 0.000 0.987 205 E CA 0.593 56.926 56.400 -0.112 0.000 0.799 205 E CB -0.473 29.173 29.700 -0.090 0.000 0.752 205 E HN 0.402 nan 8.360 nan 0.000 0.449 206 L N 0.099 121.232 121.223 -0.151 0.000 2.079 206 L HA -0.173 4.145 4.340 -0.036 0.000 0.210 206 L C 2.508 179.122 176.870 -0.426 0.000 1.081 206 L CA 1.267 55.982 54.840 -0.209 0.000 0.752 206 L CB -0.455 41.567 42.059 -0.062 0.000 0.896 206 L HN 0.121 nan 8.230 nan 0.000 0.433 207 S N -0.563 114.952 115.700 -0.308 0.000 2.368 207 S HA -0.156 4.292 4.470 -0.036 0.000 0.225 207 S C 2.087 176.518 174.600 -0.282 0.000 1.030 207 S CA 1.183 59.196 58.200 -0.311 0.000 0.999 207 S CB -0.129 62.950 63.200 -0.202 0.000 0.844 207 S HN 0.360 nan 8.310 nan 0.000 0.459 208 R N 0.449 120.817 120.500 -0.220 0.000 2.062 208 R HA 0.084 4.402 4.340 -0.036 0.000 0.229 208 R C 2.246 178.431 176.300 -0.193 0.000 1.128 208 R CA 0.983 56.982 56.100 -0.167 0.000 0.960 208 R CB -0.444 29.785 30.300 -0.117 0.000 0.855 208 R HN 0.355 nan 8.270 nan 0.000 0.432 209 L N 0.123 121.179 121.223 -0.277 0.000 2.083 209 L HA -0.143 4.176 4.340 -0.036 0.000 0.209 209 L C 2.690 179.408 176.870 -0.254 0.000 1.083 209 L CA 1.107 55.731 54.840 -0.359 0.000 0.752 209 L CB -0.414 41.267 42.059 -0.630 0.000 0.899 209 L HN 0.177 nan 8.230 nan 0.000 0.433 210 R N 0.573 120.790 120.500 -0.472 0.000 2.139 210 R HA -0.163 4.155 4.340 -0.036 0.000 0.243 210 R C 1.488 177.706 176.300 -0.137 0.000 1.145 210 R CA 1.256 57.075 56.100 -0.469 0.000 0.976 210 R CB 0.149 29.938 30.300 -0.852 0.000 0.866 210 R HN 0.141 nan 8.270 nan 0.000 0.449 211 K N 0.414 120.741 120.400 -0.121 0.000 2.372 211 K HA 0.079 4.377 4.320 -0.036 0.000 0.200 211 K C -0.379 176.222 176.600 0.002 0.000 1.022 211 K CA 0.003 56.257 56.287 -0.055 0.000 1.125 211 K CB 0.338 32.792 32.500 -0.076 0.000 0.855 211 K HN 0.243 nan 8.250 nan 0.000 0.524 212 D N 1.586 122.022 120.400 0.059 0.000 2.264 212 D HA 0.098 4.716 4.640 -0.036 0.000 0.250 212 D C -1.867 174.521 176.300 0.147 0.000 1.113 212 D CA -1.996 52.078 54.000 0.124 0.000 0.871 212 D CB 2.103 43.031 40.800 0.213 0.000 1.167 212 D HN -0.190 nan 8.370 nan 0.000 0.447 213 P HA -0.109 nan 4.420 nan 0.000 0.218 213 P C 0.815 178.129 177.300 0.023 0.000 1.146 213 P CA 0.957 64.081 63.100 0.040 0.000 0.813 213 P CB 0.134 31.846 31.700 0.021 0.000 0.778 214 A N -2.256 120.565 122.820 0.001 0.000 2.172 214 A HA -0.116 4.182 4.320 -0.036 0.000 0.216 214 A C 0.834 178.141 177.584 -0.462 0.000 1.154 214 A CA 1.083 52.984 52.037 -0.228 0.000 0.701 214 A CB -1.219 17.584 19.000 -0.328 0.000 0.789 214 A HN 0.244 nan 8.150 nan 0.000 0.465 215 Y N -1.018 119.328 120.300 0.077 0.000 2.707 215 Y HA 0.109 4.637 4.550 -0.037 0.000 0.249 215 Y C 2.072 178.036 175.900 0.107 0.000 1.166 215 Y CA 0.040 58.214 58.100 0.124 0.000 1.184 215 Y CB -0.117 38.469 38.460 0.211 0.000 1.240 215 Y HN 0.332 nan 8.280 nan 0.000 0.547 216 S N -0.903 114.860 115.700 0.104 0.000 2.419 216 S HA -0.187 4.261 4.470 -0.036 0.000 0.235 216 S C 1.009 175.499 174.600 -0.182 0.000 1.019 216 S CA 1.477 59.640 58.200 -0.061 0.000 0.982 216 S CB -0.410 62.674 63.200 -0.193 0.000 0.789 216 S HN 0.506 nan 8.310 nan 0.000 0.490 217 H N 0.414 119.538 119.070 0.090 0.000 2.505 217 H HA 0.440 4.974 4.556 -0.037 0.000 0.286 217 H C -0.327 175.040 175.328 0.064 0.000 1.072 217 H CA -0.197 55.890 56.048 0.065 0.000 1.141 217 H CB 0.210 29.990 29.762 0.031 0.000 1.550 217 H HN 0.265 nan 8.280 nan 0.000 0.547 218 V N 2.690 122.710 119.914 0.176 0.000 2.498 218 V HA 0.047 4.146 4.120 -0.036 0.000 0.279 218 V C 0.877 177.011 176.094 0.067 0.000 1.048 218 V CA -0.557 61.783 62.300 0.067 0.000 0.967 218 V CB 1.415 33.234 31.823 -0.006 0.000 0.988 218 V HN 0.402 nan 8.190 nan 0.000 0.473 219 S N 2.473 118.165 115.700 -0.012 0.000 2.580 219 S HA 0.132 4.580 4.470 -0.036 0.000 0.274 219 S C 0.673 175.342 174.600 0.114 0.000 1.329 219 S CA -0.536 57.696 58.200 0.054 0.000 1.036 219 S CB 0.979 64.200 63.200 0.035 0.000 0.919 219 S HN 0.683 nan 8.310 nan 0.000 0.515 220 D N 1.212 121.725 120.400 0.189 0.000 2.178 220 D HA -0.088 4.530 4.640 -0.036 0.000 0.201 220 D C 1.717 178.114 176.300 0.162 0.000 0.980 220 D CA 1.437 55.582 54.000 0.241 0.000 0.842 220 D CB -0.297 40.583 40.800 0.134 0.000 0.948 220 D HN 0.848 nan 8.370 nan 0.000 0.472 221 E N 0.516 120.775 120.200 0.098 0.000 2.058 221 E HA -0.162 4.166 4.350 -0.036 0.000 0.194 221 E C 1.925 178.569 176.600 0.073 0.000 0.997 221 E CA 0.616 57.066 56.400 0.082 0.000 0.801 221 E CB -0.415 29.334 29.700 0.082 0.000 0.746 221 E HN 0.184 nan 8.360 nan 0.000 0.450 222 L N -0.352 120.877 121.223 0.009 0.000 2.046 222 L HA -0.050 4.269 4.340 -0.036 0.000 0.208 222 L C 2.130 178.971 176.870 -0.049 0.000 1.077 222 L CA 1.731 56.538 54.840 -0.055 0.000 0.747 222 L CB -0.706 41.244 42.059 -0.182 0.000 0.896 222 L HN 0.241 nan 8.230 nan 0.000 0.432 223 F N -0.400 119.568 119.950 0.029 0.000 2.126 223 F HA -0.245 4.261 4.527 -0.036 0.000 0.299 223 F C 2.485 178.280 175.800 -0.008 0.000 1.096 223 F CA 1.239 59.236 58.000 -0.004 0.000 1.255 223 F CB -0.713 38.270 39.000 -0.028 0.000 0.997 223 F HN 0.217 nan 8.300 nan 0.000 0.479 224 A N -0.421 122.499 122.820 0.167 0.000 1.898 224 A HA -0.156 4.142 4.320 -0.036 0.000 0.216 224 A C 2.151 179.754 177.584 0.031 0.000 1.181 224 A CA 2.110 54.181 52.037 0.056 0.000 0.620 224 A CB -1.255 17.744 19.000 -0.000 0.000 0.819 224 A HN 0.327 nan 8.150 nan 0.000 0.442 225 T N 0.568 115.164 114.554 0.070 0.000 2.720 225 T HA -0.134 4.195 4.350 -0.036 0.000 0.268 225 T C 1.756 176.581 174.700 0.209 0.000 1.037 225 T CA 1.585 63.767 62.100 0.136 0.000 1.144 225 T CB -0.472 68.542 68.868 0.243 0.000 0.864 225 T HN 0.443 nan 8.240 nan 0.000 0.444 226 I N 1.171 121.855 120.570 0.190 0.000 2.208 226 I HA -0.147 4.001 4.170 -0.036 0.000 0.245 226 I C 2.881 179.162 176.117 0.273 0.000 1.097 226 I CA 1.381 62.823 61.300 0.237 0.000 1.363 226 I CB -0.760 37.282 38.000 0.070 0.000 1.051 226 I HN 0.315 nan 8.210 nan 0.000 0.413 227 G N 0.436 109.342 108.800 0.175 0.000 2.421 227 G HA2 -0.179 3.759 3.960 -0.036 0.000 0.216 227 G HA3 -0.179 3.759 3.960 -0.036 0.000 0.216 227 G C 1.700 176.746 174.900 0.244 0.000 1.171 227 G CA 0.967 46.179 45.100 0.187 0.000 0.775 227 G HN 0.247 nan 8.290 nan 0.000 0.543 228 V N 1.769 121.767 119.914 0.140 0.000 2.307 228 V HA -0.185 3.913 4.120 -0.036 0.000 0.245 228 V C 3.351 179.620 176.094 0.292 0.000 1.045 228 V CA 2.485 64.848 62.300 0.105 0.000 1.024 228 V CB -1.051 30.626 31.823 -0.244 0.000 0.651 228 V HN 0.656 nan 8.190 nan 0.000 0.449 229 T N -1.937 112.825 114.554 0.347 0.000 2.777 229 T HA -0.154 4.174 4.350 -0.036 0.000 0.266 229 T C 1.803 176.680 174.700 0.296 0.000 1.040 229 T CA 1.421 63.737 62.100 0.361 0.000 1.141 229 T CB -0.555 68.522 68.868 0.348 0.000 0.868 229 T HN 0.292 nan 8.240 nan 0.000 0.444 230 F N 0.549 120.634 119.950 0.226 0.000 2.206 230 F HA 0.223 4.729 4.527 -0.035 0.000 0.298 230 F C 2.035 177.960 175.800 0.209 0.000 1.090 230 F CA -0.097 58.026 58.000 0.204 0.000 1.323 230 F CB -0.770 38.344 39.000 0.189 0.000 1.028 230 F HN 0.125 nan 8.300 nan 0.000 0.492 231 F N 0.668 120.787 119.950 0.281 0.000 2.069 231 F HA -0.113 4.392 4.527 -0.038 0.000 0.298 231 F C 2.418 178.239 175.800 0.034 0.000 1.113 231 F CA 1.940 60.038 58.000 0.164 0.000 1.214 231 F CB -0.922 38.178 39.000 0.167 0.000 0.978 231 F HN -0.051 nan 8.300 nan 0.000 0.474 232 G N -0.487 108.520 108.800 0.344 0.000 2.433 232 G HA2 -0.215 3.723 3.960 -0.036 0.000 0.216 232 G HA3 -0.215 3.723 3.960 -0.036 0.000 0.216 232 G C 1.789 176.675 174.900 -0.023 0.000 1.186 232 G CA 0.847 46.119 45.100 0.287 0.000 0.779 232 G HN 0.618 nan 8.290 nan 0.000 0.543 233 A N 0.790 123.644 122.820 0.057 0.000 1.902 233 A HA 0.165 4.463 4.320 -0.036 0.000 0.217 233 A C 2.688 180.103 177.584 -0.283 0.000 1.181 233 A CA 2.148 54.121 52.037 -0.107 0.000 0.623 233 A CB -1.050 17.919 19.000 -0.052 0.000 0.818 233 A HN 0.530 nan 8.150 nan 0.000 0.443 234 G N -0.672 107.936 108.800 -0.321 0.000 2.404 234 G HA2 -0.066 3.872 3.960 -0.036 0.000 0.215 234 G HA3 -0.066 3.872 3.960 -0.036 0.000 0.215 234 G C 1.517 175.913 174.900 -0.840 0.000 1.174 234 G CA 1.204 46.033 45.100 -0.451 0.000 0.780 234 G HN 0.303 nan 8.290 nan 0.000 0.537 235 V N 0.763 120.036 119.914 -1.068 0.000 2.295 235 V HA -0.122 3.976 4.120 -0.036 0.000 0.246 235 V C 2.612 178.465 176.094 -0.402 0.000 1.049 235 V CA 1.513 63.353 62.300 -0.767 0.000 1.024 235 V CB -0.368 30.998 31.823 -0.761 0.000 0.648 235 V HN 0.322 nan 8.190 nan 0.000 0.447 236 I N -0.077 120.225 120.570 -0.448 0.000 2.315 236 I HA -0.171 3.977 4.170 -0.036 0.000 0.248 236 I C 2.432 178.361 176.117 -0.312 0.000 1.117 236 I CA 1.558 62.608 61.300 -0.417 0.000 1.404 236 I CB -0.203 37.260 38.000 -0.895 0.000 1.071 236 I HN 0.208 nan 8.210 nan 0.000 0.419 237 S N -0.652 114.861 115.700 -0.312 0.000 2.377 237 S HA -0.138 4.311 4.470 -0.036 0.000 0.223 237 S C 1.988 176.587 174.600 -0.002 0.000 1.030 237 S CA 1.601 59.717 58.200 -0.141 0.000 0.970 237 S CB -0.622 62.539 63.200 -0.065 0.000 0.830 237 S HN 0.701 nan 8.310 nan 0.000 0.473 238 T N 0.293 114.800 114.554 -0.079 0.000 2.812 238 T HA 0.035 4.363 4.350 -0.036 0.000 0.264 238 T C 2.042 176.733 174.700 -0.014 0.000 1.042 238 T CA 1.258 63.314 62.100 -0.074 0.000 1.140 238 T CB -1.000 67.597 68.868 -0.451 0.000 0.870 238 T HN 0.342 nan 8.240 nan 0.000 0.445 239 G N 1.154 109.911 108.800 -0.072 0.000 2.421 239 G HA2 -0.158 3.780 3.960 -0.036 0.000 0.216 239 G HA3 -0.158 3.780 3.960 -0.036 0.000 0.216 239 G C 1.903 176.839 174.900 0.061 0.000 1.171 239 G CA 0.991 46.104 45.100 0.021 0.000 0.775 239 G HN 0.554 nan 8.290 nan 0.000 0.543 240 S N 0.238 115.973 115.700 0.058 0.000 2.368 240 S HA -0.051 4.397 4.470 -0.036 0.000 0.224 240 S C 1.889 176.566 174.600 0.129 0.000 1.029 240 S CA 1.035 59.288 58.200 0.088 0.000 0.988 240 S CB -0.345 62.894 63.200 0.065 0.000 0.838 240 S HN 0.406 nan 8.310 nan 0.000 0.462 241 F N 2.608 122.592 119.950 0.056 0.000 2.075 241 F HA -0.044 4.461 4.527 -0.037 0.000 0.297 241 F C 1.900 177.759 175.800 0.098 0.000 1.113 241 F CA 0.917 58.963 58.000 0.076 0.000 1.218 241 F CB -0.760 38.282 39.000 0.069 0.000 0.984 241 F HN 0.147 nan 8.300 nan 0.000 0.472 242 L N 0.449 121.565 121.223 -0.178 0.000 2.042 242 L HA -0.179 4.139 4.340 -0.036 0.000 0.210 242 L C 2.242 179.000 176.870 -0.186 0.000 1.076 242 L CA 2.572 57.265 54.840 -0.245 0.000 0.749 242 L CB -1.444 40.639 42.059 0.041 0.000 0.893 242 L HN 0.257 nan 8.230 nan 0.000 0.432 243 T N -1.044 113.468 114.554 -0.069 0.000 2.708 243 T HA -0.180 4.148 4.350 -0.036 0.000 0.266 243 T C 1.708 176.394 174.700 -0.024 0.000 1.037 243 T CA 2.144 64.233 62.100 -0.019 0.000 1.146 243 T CB -0.604 68.272 68.868 0.013 0.000 0.865 243 T HN 0.688 nan 8.240 nan 0.000 0.435 244 T N 0.497 115.038 114.554 -0.021 0.000 2.985 244 T HA 0.254 4.582 4.350 -0.036 0.000 0.266 244 T C 2.247 176.914 174.700 -0.054 0.000 1.076 244 T CA 0.815 62.947 62.100 0.054 0.000 1.135 244 T CB -0.406 68.564 68.868 0.170 0.000 0.890 244 T HN 0.312 nan 8.240 nan 0.000 0.480 245 A N 1.871 124.523 122.820 -0.280 0.000 1.933 245 A HA 0.161 4.459 4.320 -0.036 0.000 0.218 245 A C 2.373 179.882 177.584 -0.125 0.000 1.175 245 A CA 1.147 53.006 52.037 -0.297 0.000 0.628 245 A CB -0.918 17.677 19.000 -0.674 0.000 0.814 245 A HN 0.527 nan 8.150 nan 0.000 0.444 246 L N -0.554 120.610 121.223 -0.097 0.000 2.046 246 L HA -0.203 4.115 4.340 -0.036 0.000 0.208 246 L C 2.463 179.337 176.870 0.005 0.000 1.077 246 L CA 1.274 56.101 54.840 -0.023 0.000 0.747 246 L CB -0.573 41.494 42.059 0.014 0.000 0.896 246 L HN 0.391 nan 8.230 nan 0.000 0.432 247 I N -0.775 119.810 120.570 0.025 0.000 2.163 247 I HA -0.299 3.850 4.170 -0.036 0.000 0.243 247 I C 2.630 178.779 176.117 0.054 0.000 1.085 247 I CA 1.327 62.663 61.300 0.060 0.000 1.347 247 I CB -0.354 37.720 38.000 0.125 0.000 1.044 247 I HN 0.158 nan 8.210 nan 0.000 0.408 248 S N 0.745 116.472 115.700 0.045 0.000 2.383 248 S HA -0.179 4.270 4.470 -0.036 0.000 0.229 248 S C 1.878 176.496 174.600 0.030 0.000 1.030 248 S CA 1.325 59.551 58.200 0.043 0.000 1.002 248 S CB -0.382 62.840 63.200 0.037 0.000 0.829 248 S HN 0.297 nan 8.310 nan 0.000 0.467 249 L N 1.660 122.893 121.223 0.017 0.000 2.044 249 L HA 0.126 4.444 4.340 -0.036 0.000 0.205 249 L C 1.917 178.798 176.870 0.018 0.000 1.075 249 L CA 1.486 56.336 54.840 0.016 0.000 0.747 249 L CB -0.556 41.507 42.059 0.008 0.000 0.903 249 L HN 0.247 nan 8.230 nan 0.000 0.435 250 I N -0.509 120.073 120.570 0.019 0.000 2.264 250 I HA -0.276 3.872 4.170 -0.036 0.000 0.248 250 I C 1.901 178.032 176.117 0.024 0.000 1.111 250 I CA 0.900 62.212 61.300 0.020 0.000 1.382 250 I CB -0.320 37.694 38.000 0.023 0.000 1.060 250 I HN 0.381 nan 8.210 nan 0.000 0.418 251 Q N 0.895 120.714 119.800 0.032 0.000 2.482 251 Q HA 0.044 4.363 4.340 -0.036 0.000 0.209 251 Q C 0.256 176.274 176.000 0.029 0.000 0.961 251 Q CA 0.618 56.442 55.803 0.034 0.000 0.945 251 Q CB 0.048 28.813 28.738 0.046 0.000 1.012 251 Q HN 0.494 nan 8.270 nan 0.000 0.515 252 R N 0.329 120.844 120.500 0.026 0.000 2.564 252 R HA 0.211 4.529 4.340 -0.036 0.000 0.282 252 R C -1.932 174.380 176.300 0.019 0.000 1.573 252 R CA -1.499 54.615 56.100 0.023 0.000 1.588 252 R CB 0.933 31.248 30.300 0.024 0.000 1.154 252 R HN -0.082 nan 8.270 nan 0.000 0.606 253 P HA -0.216 nan 4.420 nan 0.000 0.218 253 P C 1.185 178.495 177.300 0.016 0.000 1.148 253 P CA 1.033 64.140 63.100 0.012 0.000 0.822 253 P CB 0.385 32.090 31.700 0.009 0.000 0.784 254 Q N -0.881 118.929 119.800 0.018 0.000 2.096 254 Q HA -0.158 4.160 4.340 -0.036 0.000 0.204 254 Q C 2.122 178.138 176.000 0.027 0.000 0.982 254 Q CA 1.247 57.063 55.803 0.022 0.000 0.850 254 Q CB -1.205 27.545 28.738 0.019 0.000 0.901 254 Q HN 0.244 nan 8.270 nan 0.000 0.422 255 L N 0.934 122.172 121.223 0.025 0.000 2.056 255 L HA -0.116 4.202 4.340 -0.036 0.000 0.207 255 L C 2.511 179.403 176.870 0.036 0.000 1.078 255 L CA 1.680 56.537 54.840 0.028 0.000 0.749 255 L CB -0.511 41.562 42.059 0.024 0.000 0.901 255 L HN 0.089 nan 8.230 nan 0.000 0.433 256 R N -0.462 120.056 120.500 0.031 0.000 2.096 256 R HA -0.218 4.100 4.340 -0.036 0.000 0.240 256 R C 1.976 178.312 176.300 0.060 0.000 1.139 256 R CA 2.007 58.128 56.100 0.034 0.000 0.952 256 R CB -0.333 29.975 30.300 0.013 0.000 0.854 256 R HN 0.474 nan 8.270 nan 0.000 0.436 257 N N 0.869 119.600 118.700 0.053 0.000 2.142 257 N HA -0.167 4.551 4.740 -0.036 0.000 0.186 257 N C 1.694 177.267 175.510 0.105 0.000 1.023 257 N CA 0.958 54.058 53.050 0.084 0.000 0.852 257 N CB -0.450 38.069 38.487 0.053 0.000 0.998 257 N HN 0.173 nan 8.380 nan 0.000 0.424 258 L N 1.272 122.534 121.223 0.066 0.000 2.012 258 L HA -0.044 4.274 4.340 -0.036 0.000 0.210 258 L C 1.930 178.829 176.870 0.049 0.000 1.073 258 L CA 1.453 56.322 54.840 0.049 0.000 0.748 258 L CB -0.693 41.387 42.059 0.035 0.000 0.891 258 L HN 0.120 nan 8.230 nan 0.000 0.431 259 L N -1.161 120.097 121.223 0.058 0.000 2.141 259 L HA -0.218 4.100 4.340 -0.036 0.000 0.209 259 L C 2.668 179.578 176.870 0.067 0.000 1.094 259 L CA 1.371 56.243 54.840 0.053 0.000 0.763 259 L CB -1.030 41.062 42.059 0.054 0.000 0.908 259 L HN 0.531 nan 8.230 nan 0.000 0.437 260 H N 0.134 119.206 119.070 0.003 0.000 2.357 260 H HA -0.190 4.344 4.556 -0.036 0.000 0.301 260 H C 2.201 177.529 175.328 0.001 0.000 1.082 260 H CA 1.943 57.991 56.048 -0.001 0.000 1.342 260 H CB 0.475 30.235 29.762 -0.003 0.000 1.389 260 H HN 0.258 nan 8.280 nan 0.000 0.511 261 E N 1.041 121.197 120.200 -0.074 0.000 2.076 261 E HA -0.032 4.296 4.350 -0.036 0.000 0.190 261 E C 0.525 177.068 176.600 -0.095 0.000 0.979 261 E CA 0.696 57.026 56.400 -0.116 0.000 0.807 261 E CB 0.083 29.782 29.700 -0.003 0.000 0.761 261 E HN 0.560 nan 8.360 nan 0.000 0.454 262 K N 0.655 121.028 120.400 -0.045 0.000 2.682 262 K HA 0.278 4.576 4.320 -0.036 0.000 0.189 262 K C -2.287 174.302 176.600 -0.017 0.000 1.062 262 K CA -1.485 54.785 56.287 -0.028 0.000 0.997 262 K CB 1.834 34.329 32.500 -0.007 0.000 1.405 262 K HN 0.206 nan 8.250 nan 0.000 0.588 263 P HA -0.238 nan 4.420 nan 0.000 0.223 263 P C 0.928 178.231 177.300 0.005 0.000 1.144 263 P CA 1.168 64.261 63.100 -0.012 0.000 0.783 263 P CB 0.302 31.986 31.700 -0.027 0.000 0.771 264 E N 0.702 120.903 120.200 0.002 0.000 2.338 264 E HA -0.120 4.208 4.350 -0.036 0.000 0.197 264 E C 1.663 178.276 176.600 0.021 0.000 1.007 264 E CA 0.727 57.134 56.400 0.012 0.000 0.849 264 E CB -1.105 28.600 29.700 0.008 0.000 0.774 264 E HN 0.337 nan 8.360 nan 0.000 0.506 265 L N 0.561 121.796 121.223 0.021 0.000 2.599 265 L HA 0.139 4.457 4.340 -0.036 0.000 0.230 265 L C 2.325 179.218 176.870 0.038 0.000 1.141 265 L CA -0.041 54.816 54.840 0.029 0.000 0.877 265 L CB -0.268 41.806 42.059 0.025 0.000 1.009 265 L HN 0.016 nan 8.230 nan 0.000 0.447 266 I N 0.652 121.246 120.570 0.040 0.000 2.226 266 I HA -0.194 3.954 4.170 -0.036 0.000 0.245 266 I C -0.244 175.913 176.117 0.068 0.000 1.100 266 I CA 1.400 62.731 61.300 0.052 0.000 1.374 266 I CB -1.172 36.858 38.000 0.048 0.000 1.057 266 I HN 0.220 nan 8.210 nan 0.000 0.413 267 P HA -0.204 nan 4.420 nan 0.000 0.216 267 P C 1.485 178.838 177.300 0.088 0.000 1.153 267 P CA 1.914 65.065 63.100 0.085 0.000 0.858 267 P CB -0.032 31.713 31.700 0.075 0.000 0.789 268 A N -0.329 122.533 122.820 0.070 0.000 1.933 268 A HA -0.076 4.222 4.320 -0.036 0.000 0.218 268 A C 2.484 180.104 177.584 0.059 0.000 1.175 268 A CA 2.043 54.119 52.037 0.065 0.000 0.628 268 A CB -1.864 17.166 19.000 0.050 0.000 0.814 268 A HN 0.278 nan 8.150 nan 0.000 0.444 269 G N -0.504 108.330 108.800 0.057 0.000 2.421 269 G HA2 -0.133 3.805 3.960 -0.036 0.000 0.216 269 G HA3 -0.133 3.805 3.960 -0.036 0.000 0.216 269 G C 1.506 176.450 174.900 0.073 0.000 1.171 269 G CA 1.234 46.365 45.100 0.052 0.000 0.775 269 G HN 0.315 nan 8.290 nan 0.000 0.543 270 V N 0.658 120.636 119.914 0.106 0.000 2.407 270 V HA -0.152 3.947 4.120 -0.036 0.000 0.248 270 V C 2.680 178.860 176.094 0.144 0.000 1.055 270 V CA 2.244 64.646 62.300 0.171 0.000 1.049 270 V CB -0.294 31.651 31.823 0.204 0.000 0.662 270 V HN 0.388 nan 8.190 nan 0.000 0.455 271 E N -0.030 120.234 120.200 0.108 0.000 2.110 271 E HA -0.179 4.149 4.350 -0.036 0.000 0.193 271 E C 2.284 178.861 176.600 -0.038 0.000 0.988 271 E CA 1.046 57.497 56.400 0.086 0.000 0.804 271 E CB -0.118 29.675 29.700 0.155 0.000 0.745 271 E HN 0.501 nan 8.360 nan 0.000 0.458 272 E N -0.102 120.082 120.200 -0.026 0.000 2.107 272 E HA -0.112 4.217 4.350 -0.036 0.000 0.191 272 E C 2.224 178.762 176.600 -0.104 0.000 0.982 272 E CA 0.588 56.928 56.400 -0.101 0.000 0.809 272 E CB -0.158 29.503 29.700 -0.065 0.000 0.756 272 E HN 0.341 nan 8.360 nan 0.000 0.459 273 L N 0.493 121.722 121.223 0.010 0.000 2.083 273 L HA -0.184 4.135 4.340 -0.036 0.000 0.209 273 L C 2.580 179.562 176.870 0.186 0.000 1.083 273 L CA 0.748 55.651 54.840 0.106 0.000 0.752 273 L CB -0.416 41.743 42.059 0.167 0.000 0.899 273 L HN 0.102 nan 8.230 nan 0.000 0.433 274 L N -0.594 120.638 121.223 0.016 0.000 2.017 274 L HA -0.238 4.080 4.340 -0.036 0.000 0.208 274 L C 2.873 179.420 176.870 -0.538 0.000 1.073 274 L CA 1.317 55.907 54.840 -0.416 0.000 0.745 274 L CB -0.478 41.151 42.059 -0.717 0.000 0.894 274 L HN 0.234 nan 8.230 nan 0.000 0.432 275 R N 0.989 121.104 120.500 -0.640 0.000 2.091 275 R HA -0.200 4.118 4.340 -0.036 0.000 0.238 275 R C 2.115 178.170 176.300 -0.409 0.000 1.136 275 R CA 2.073 57.809 56.100 -0.607 0.000 0.959 275 R CB -0.367 29.561 30.300 -0.619 0.000 0.856 275 R HN 0.561 nan 8.270 nan 0.000 0.437 276 I N -0.364 120.017 120.570 -0.315 0.000 3.684 276 I HA 0.099 4.247 4.170 -0.036 0.000 0.304 276 I C -0.229 175.987 176.117 0.165 0.000 1.278 276 I CA -0.474 60.691 61.300 -0.225 0.000 1.272 276 I CB -0.540 37.341 38.000 -0.198 0.000 1.029 276 I HN 0.049 nan 8.210 nan 0.000 0.458 277 N N 1.771 120.539 118.700 0.113 0.000 2.513 277 N HA 0.147 4.866 4.740 -0.036 0.000 0.268 277 N C -0.002 175.634 175.510 0.211 0.000 1.180 277 N CA -0.247 52.930 53.050 0.212 0.000 0.948 277 N CB 0.938 39.626 38.487 0.334 0.000 1.083 277 N HN 0.347 nan 8.380 nan 0.000 0.455 278 L N 2.009 123.345 121.223 0.189 0.000 2.872 278 L HA 0.158 4.476 4.340 -0.036 0.000 0.245 278 L C 1.758 178.719 176.870 0.153 0.000 1.211 278 L CA -0.262 54.658 54.840 0.132 0.000 1.013 278 L CB -0.378 41.698 42.059 0.028 0.000 1.326 278 L HN 0.833 nan 8.230 nan 0.000 0.525 279 S N -0.110 115.725 115.700 0.226 0.000 2.382 279 S HA -0.100 4.348 4.470 -0.036 0.000 0.228 279 S C 0.693 175.391 174.600 0.165 0.000 1.027 279 S CA 0.585 58.917 58.200 0.220 0.000 0.991 279 S CB -0.387 62.974 63.200 0.269 0.000 0.823 279 S HN 0.184 nan 8.310 nan 0.000 0.469 280 F N 2.130 122.098 119.950 0.031 0.000 2.471 280 F HA 0.579 5.082 4.527 -0.040 0.000 0.365 280 F C 1.430 177.229 175.800 -0.003 0.000 1.095 280 F CA -0.560 57.441 58.000 0.002 0.000 1.174 280 F CB 0.716 39.703 39.000 -0.021 0.000 1.105 280 F HN 0.231 nan 8.300 nan 0.000 0.535 281 A N 2.402 125.254 122.820 0.053 0.000 2.067 281 A HA 0.036 4.334 4.320 -0.036 0.000 0.217 281 A C 0.456 178.041 177.584 0.002 0.000 1.156 281 A CA 0.779 52.834 52.037 0.029 0.000 0.683 281 A CB -0.263 18.750 19.000 0.022 0.000 0.808 281 A HN 0.610 nan 8.150 nan 0.000 0.455 282 D N -1.560 118.857 120.400 0.028 0.000 2.547 282 D HA 0.448 5.066 4.640 -0.036 0.000 0.231 282 D C 0.134 176.452 176.300 0.031 0.000 1.099 282 D CA -0.114 53.878 54.000 -0.015 0.000 0.901 282 D CB 1.403 42.187 40.800 -0.028 0.000 1.478 282 D HN 0.145 nan 8.370 nan 0.000 0.471 283 G N 0.190 108.975 108.800 -0.026 0.000 2.614 283 G HA2 0.295 4.233 3.960 -0.036 0.000 0.239 283 G HA3 0.295 4.233 3.960 -0.036 0.000 0.239 283 G C 0.274 175.181 174.900 0.012 0.000 1.240 283 G CA -0.415 44.678 45.100 -0.012 0.000 0.842 283 G HN 0.360 nan 8.290 nan 0.000 0.584 284 L N 3.189 124.409 121.223 -0.004 0.000 2.418 284 L HA 0.212 4.530 4.340 -0.036 0.000 0.274 284 L C -1.622 175.237 176.870 -0.018 0.000 1.135 284 L CA -1.429 53.409 54.840 -0.004 0.000 0.870 284 L CB 0.923 42.953 42.059 -0.047 0.000 1.154 284 L HN 0.357 nan 8.230 nan 0.000 0.462 285 P HA 0.349 nan 4.420 nan 0.000 0.284 285 P C -0.968 176.330 177.300 -0.004 0.000 1.253 285 P CA -0.575 62.518 63.100 -0.012 0.000 0.800 285 P CB 1.475 33.164 31.700 -0.019 0.000 0.961 286 R N 1.737 122.254 120.500 0.029 0.000 2.698 286 R HA 0.561 4.879 4.340 -0.036 0.000 0.275 286 R C -1.040 175.339 176.300 0.131 0.000 1.001 286 R CA -1.131 55.019 56.100 0.084 0.000 0.896 286 R CB 1.591 31.969 30.300 0.130 0.000 1.218 286 R HN 0.414 nan 8.270 nan 0.000 0.462 287 L N 1.356 122.661 121.223 0.137 0.000 2.313 287 L HA 0.588 4.906 4.340 -0.036 0.000 0.283 287 L C -0.191 176.778 176.870 0.166 0.000 1.013 287 L CA -0.337 54.586 54.840 0.138 0.000 0.816 287 L CB 1.726 43.828 42.059 0.073 0.000 1.236 287 L HN 0.841 nan 8.230 nan 0.000 0.419 288 A N 2.234 125.170 122.820 0.193 0.000 2.488 288 A HA 0.395 4.693 4.320 -0.036 0.000 0.249 288 A C 0.966 178.535 177.584 -0.025 0.000 1.083 288 A CA 0.462 52.527 52.037 0.046 0.000 0.768 288 A CB -0.101 18.947 19.000 0.079 0.000 1.017 288 A HN 0.878 nan 8.150 nan 0.000 0.496 289 T N -0.905 113.585 114.554 -0.106 0.000 3.069 289 T HA 0.577 4.906 4.350 -0.036 0.000 0.252 289 T C 0.345 174.991 174.700 -0.091 0.000 1.053 289 T CA 0.555 62.611 62.100 -0.073 0.000 0.964 289 T CB -0.252 68.580 68.868 -0.059 0.000 1.005 289 T HN 1.684 nan 8.240 nan 0.000 0.532 290 A N 0.542 123.282 122.820 -0.134 0.000 2.599 290 A HA 0.620 4.919 4.320 -0.036 0.000 0.290 290 A C -1.877 175.639 177.584 -0.113 0.000 1.101 290 A CA -0.951 51.016 52.037 -0.116 0.000 0.674 290 A CB 0.803 19.720 19.000 -0.139 0.000 1.277 290 A HN 0.177 nan 8.150 nan 0.000 0.419 291 D N 0.885 121.240 120.400 -0.075 0.000 2.317 291 D HA 0.554 5.173 4.640 -0.036 0.000 0.252 291 D C -0.630 175.622 176.300 -0.081 0.000 1.174 291 D CA 0.866 54.834 54.000 -0.054 0.000 0.866 291 D CB 0.617 41.400 40.800 -0.028 0.000 1.127 291 D HN 0.399 nan 8.370 nan 0.000 0.467 292 I N 1.776 122.301 120.570 -0.076 0.000 2.534 292 I HA 0.098 4.247 4.170 -0.036 0.000 0.288 292 I C -0.206 175.913 176.117 0.003 0.000 1.077 292 I CA -1.032 60.230 61.300 -0.064 0.000 1.051 292 I CB 2.155 40.047 38.000 -0.180 0.000 1.234 292 I HN 0.015 nan 8.210 nan 0.000 0.425 293 Q N 4.925 124.721 119.800 -0.007 0.000 2.296 293 Q HA 0.394 4.712 4.340 -0.036 0.000 0.262 293 Q C -1.288 174.714 176.000 0.003 0.000 0.981 293 Q CA 0.123 55.912 55.803 -0.022 0.000 0.905 293 Q CB 1.055 29.778 28.738 -0.026 0.000 1.186 293 Q HN 0.487 nan 8.270 nan 0.000 0.399 294 V N 5.455 125.338 119.914 -0.052 0.000 2.398 294 V HA 0.636 4.734 4.120 -0.036 0.000 0.282 294 V C 0.786 176.819 176.094 -0.102 0.000 1.014 294 V CA 0.032 62.292 62.300 -0.066 0.000 0.838 294 V CB 0.444 32.201 31.823 -0.110 0.000 1.018 294 V HN 1.055 nan 8.190 nan 0.000 0.432 295 G N 4.857 113.620 108.800 -0.061 0.000 2.611 295 G HA2 -0.288 3.650 3.960 -0.036 0.000 0.301 295 G HA3 -0.288 3.650 3.960 -0.036 0.000 0.301 295 G C 0.385 175.247 174.900 -0.063 0.000 1.233 295 G CA 0.714 45.783 45.100 -0.053 0.000 0.993 295 G HN 0.622 nan 8.290 nan 0.000 0.553 296 D N 0.445 120.805 120.400 -0.066 0.000 2.336 296 D HA 0.293 4.911 4.640 -0.036 0.000 0.229 296 D C 0.683 176.920 176.300 -0.105 0.000 1.061 296 D CA 0.556 54.519 54.000 -0.061 0.000 0.875 296 D CB 0.431 41.212 40.800 -0.031 0.000 0.904 296 D HN 0.293 nan 8.370 nan 0.000 0.525 297 V N 1.580 121.380 119.914 -0.189 0.000 2.459 297 V HA 0.202 4.300 4.120 -0.036 0.000 0.295 297 V C -0.220 175.704 176.094 -0.283 0.000 1.029 297 V CA -1.011 61.092 62.300 -0.328 0.000 0.874 297 V CB 2.427 33.827 31.823 -0.706 0.000 0.985 297 V HN -0.087 nan 8.190 nan 0.000 0.438 298 L N 6.952 128.049 121.223 -0.210 0.000 2.312 298 L HA 0.420 4.738 4.340 -0.036 0.000 0.287 298 L C -0.059 176.711 176.870 -0.167 0.000 1.091 298 L CA 0.431 55.188 54.840 -0.138 0.000 0.846 298 L CB 0.908 42.930 42.059 -0.061 0.000 1.219 298 L HN 0.468 nan 8.230 nan 0.000 0.439 299 V N 6.102 125.905 119.914 -0.185 0.000 2.572 299 V HA 0.326 4.424 4.120 -0.036 0.000 0.291 299 V C 0.628 176.749 176.094 0.044 0.000 1.039 299 V CA -0.538 61.699 62.300 -0.105 0.000 1.055 299 V CB 0.484 32.304 31.823 -0.005 0.000 0.969 299 V HN 0.619 nan 8.190 nan 0.000 0.482 300 R N 3.346 123.927 120.500 0.135 0.000 2.457 300 R HA 0.344 4.662 4.340 -0.036 0.000 0.284 300 R C 0.075 176.428 176.300 0.089 0.000 1.024 300 R CA -0.991 55.168 56.100 0.097 0.000 1.025 300 R CB 0.688 31.056 30.300 0.113 0.000 1.063 300 R HN 0.663 nan 8.270 nan 0.000 0.493 301 K N 0.497 120.919 120.400 0.038 0.000 2.530 301 K HA -0.062 4.237 4.320 -0.036 0.000 0.280 301 K C 0.686 177.315 176.600 0.048 0.000 1.004 301 K CA 1.581 57.881 56.287 0.022 0.000 1.071 301 K CB 0.000 32.500 32.500 -0.001 0.000 0.876 301 K HN 0.806 nan 8.250 nan 0.000 0.487 302 G N 2.748 111.579 108.800 0.052 0.000 2.195 302 G HA2 -0.247 3.691 3.960 -0.036 0.000 0.246 302 G HA3 -0.247 3.691 3.960 -0.036 0.000 0.246 302 G C -0.286 174.663 174.900 0.081 0.000 0.984 302 G CA 0.202 45.335 45.100 0.055 0.000 0.633 302 G HN 0.676 nan 8.290 nan 0.000 0.525 303 E N -0.247 120.033 120.200 0.134 0.000 2.319 303 E HA 0.568 4.896 4.350 -0.036 0.000 0.268 303 E C -0.215 176.500 176.600 0.193 0.000 1.050 303 E CA -0.862 55.645 56.400 0.177 0.000 0.878 303 E CB 1.788 31.679 29.700 0.319 0.000 1.066 303 E HN 0.208 nan 8.360 nan 0.000 0.406 304 L N 2.818 124.123 121.223 0.137 0.000 2.292 304 L HA 0.282 4.600 4.340 -0.036 0.000 0.284 304 L C -1.137 175.834 176.870 0.169 0.000 1.065 304 L CA -0.324 54.583 54.840 0.112 0.000 0.806 304 L CB 1.277 43.352 42.059 0.027 0.000 1.175 304 L HN 0.235 nan 8.230 nan 0.000 0.431 305 V N 6.341 126.345 119.914 0.151 0.000 2.604 305 V HA 0.483 4.581 4.120 -0.036 0.000 0.305 305 V C -0.310 175.800 176.094 0.026 0.000 1.043 305 V CA -0.627 61.743 62.300 0.115 0.000 0.888 305 V CB 1.789 33.615 31.823 0.006 0.000 0.995 305 V HN 0.594 nan 8.190 nan 0.000 0.429 306 L N 4.744 125.976 121.223 0.016 0.000 2.319 306 L HA 0.557 4.875 4.340 -0.036 0.000 0.281 306 L C -0.641 176.210 176.870 -0.031 0.000 1.005 306 L CA -0.772 54.059 54.840 -0.016 0.000 0.828 306 L CB 1.966 44.010 42.059 -0.025 0.000 1.227 306 L HN 0.356 nan 8.230 nan 0.000 0.415 307 V N 4.658 124.541 119.914 -0.051 0.000 2.353 307 V HA 0.146 4.245 4.120 -0.036 0.000 0.264 307 V C 0.140 176.208 176.094 -0.043 0.000 1.049 307 V CA -0.362 61.899 62.300 -0.064 0.000 0.896 307 V CB 1.386 33.154 31.823 -0.093 0.000 1.025 307 V HN 0.439 nan 8.190 nan 0.000 0.475 308 L N 6.260 127.473 121.223 -0.017 0.000 2.363 308 L HA 0.291 4.610 4.340 -0.036 0.000 0.286 308 L C 1.072 177.955 176.870 0.021 0.000 1.106 308 L CA 0.597 55.442 54.840 0.009 0.000 0.859 308 L CB 0.371 42.456 42.059 0.044 0.000 1.223 308 L HN 0.562 nan 8.230 nan 0.000 0.446 309 L N 3.490 124.714 121.223 0.001 0.000 2.042 309 L HA -0.166 4.152 4.340 -0.036 0.000 0.210 309 L C 2.255 179.189 176.870 0.106 0.000 1.076 309 L CA 1.416 56.257 54.840 0.003 0.000 0.749 309 L CB -0.543 41.465 42.059 -0.085 0.000 0.893 309 L HN 0.765 nan 8.230 nan 0.000 0.432 310 E N 0.649 120.932 120.200 0.138 0.000 2.274 310 E HA -0.131 4.197 4.350 -0.036 0.000 0.194 310 E C 2.025 178.787 176.600 0.271 0.000 0.996 310 E CA 1.222 57.779 56.400 0.261 0.000 0.840 310 E CB -0.439 29.332 29.700 0.118 0.000 0.772 310 E HN 0.423 nan 8.360 nan 0.000 0.491 311 G N 1.824 110.726 108.800 0.171 0.000 2.459 311 G HA2 -0.235 3.703 3.960 -0.036 0.000 0.217 311 G HA3 -0.235 3.703 3.960 -0.036 0.000 0.217 311 G C 1.822 176.858 174.900 0.227 0.000 1.183 311 G CA 1.721 46.923 45.100 0.170 0.000 0.776 311 G HN 0.480 nan 8.290 nan 0.000 0.552 312 A N 1.133 124.074 122.820 0.202 0.000 1.877 312 A HA -0.079 4.219 4.320 -0.036 0.000 0.216 312 A C 2.243 180.113 177.584 0.477 0.000 1.186 312 A CA 1.913 54.112 52.037 0.269 0.000 0.620 312 A CB -0.427 18.625 19.000 0.086 0.000 0.822 312 A HN 0.349 nan 8.150 nan 0.000 0.443 313 N N -1.239 117.713 118.700 0.420 0.000 2.409 313 N HA 0.016 4.734 4.740 -0.036 0.000 0.179 313 N C 0.358 176.003 175.510 0.226 0.000 1.032 313 N CA 0.806 54.081 53.050 0.376 0.000 0.898 313 N CB -0.256 38.324 38.487 0.154 0.000 0.971 313 N HN 0.476 nan 8.380 nan 0.000 0.441 314 F N 0.455 120.535 119.950 0.216 0.000 2.641 314 F HA 0.186 4.692 4.527 -0.036 0.000 0.302 314 F C 0.635 176.556 175.800 0.201 0.000 1.098 314 F CA -0.906 57.196 58.000 0.170 0.000 1.318 314 F CB 0.128 39.185 39.000 0.096 0.000 1.035 314 F HN -0.228 nan 8.300 nan 0.000 0.551 315 D N 2.928 123.568 120.400 0.400 0.000 2.358 315 D HA 0.049 4.667 4.640 -0.036 0.000 0.258 315 D C -1.533 174.902 176.300 0.225 0.000 1.223 315 D CA -1.977 52.192 54.000 0.282 0.000 0.886 315 D CB 1.412 42.377 40.800 0.276 0.000 1.120 315 D HN 0.044 nan 8.370 nan 0.000 0.482 316 P HA -0.077 nan 4.420 nan 0.000 0.226 316 P C 0.905 178.237 177.300 0.054 0.000 1.153 316 P CA 0.458 63.628 63.100 0.116 0.000 0.777 316 P CB 0.428 32.185 31.700 0.094 0.000 0.794 317 E N -1.187 119.040 120.200 0.045 0.000 2.204 317 E HA -0.182 4.146 4.350 -0.036 0.000 0.194 317 E C 1.894 178.443 176.600 -0.086 0.000 0.989 317 E CA 1.203 57.601 56.400 -0.004 0.000 0.824 317 E CB -1.048 28.666 29.700 0.024 0.000 0.756 317 E HN 0.599 nan 8.360 nan 0.000 0.477 318 H N -2.091 116.819 119.070 -0.266 0.000 2.615 318 H HA 0.341 4.875 4.556 -0.035 0.000 0.275 318 H C -0.145 174.787 175.328 -0.660 0.000 0.981 318 H CA 0.329 56.004 56.048 -0.621 0.000 1.252 318 H CB 0.543 29.608 29.762 -1.162 0.000 1.447 318 H HN 0.210 nan 8.280 nan 0.000 0.498 319 F N 2.007 121.908 119.950 -0.082 0.000 2.564 319 F HA 0.353 4.857 4.527 -0.037 0.000 0.368 319 F C -2.444 173.324 175.800 -0.053 0.000 1.127 319 F CA -2.597 55.353 58.000 -0.083 0.000 1.170 319 F CB 1.420 40.405 39.000 -0.026 0.000 1.397 319 F HN -0.005 nan 8.300 nan 0.000 0.493 320 P HA -0.061 nan 4.420 nan 0.000 0.267 320 P C 0.076 177.414 177.300 0.063 0.000 1.200 320 P CA 0.288 63.420 63.100 0.054 0.000 0.772 320 P CB 0.451 32.158 31.700 0.012 0.000 0.855 321 N N 2.246 120.979 118.700 0.056 0.000 2.667 321 N HA -0.142 4.576 4.740 -0.036 0.000 0.263 321 N C -1.355 174.181 175.510 0.044 0.000 1.038 321 N CA 0.285 53.364 53.050 0.049 0.000 0.749 321 N CB -0.702 37.804 38.487 0.032 0.000 0.892 321 N HN 0.292 nan 8.380 nan 0.000 0.546 322 P HA -0.048 nan 4.420 nan 0.000 0.220 322 P C 1.374 178.619 177.300 -0.092 0.000 1.148 322 P CA 1.630 64.737 63.100 0.011 0.000 0.803 322 P CB -0.205 31.576 31.700 0.135 0.000 0.782 323 G N -0.674 108.175 108.800 0.081 0.000 2.744 323 G HA2 -0.028 3.911 3.960 -0.036 0.000 0.211 323 G HA3 -0.028 3.911 3.960 -0.036 0.000 0.211 323 G C 0.487 175.409 174.900 0.036 0.000 1.143 323 G CA 0.094 45.274 45.100 0.134 0.000 0.788 323 G HN 0.240 nan 8.290 nan 0.000 0.534 324 S N -0.081 115.615 115.700 -0.008 0.000 2.508 324 S HA 0.462 4.910 4.470 -0.036 0.000 0.284 324 S C -0.033 174.538 174.600 -0.049 0.000 1.192 324 S CA -0.465 57.729 58.200 -0.011 0.000 1.070 324 S CB 1.638 64.841 63.200 0.004 0.000 1.004 324 S HN 0.137 nan 8.310 nan 0.000 0.493 325 I N 3.447 123.996 120.570 -0.035 0.000 2.363 325 I HA 0.134 4.282 4.170 -0.036 0.000 0.292 325 I C 0.259 176.362 176.117 -0.023 0.000 1.075 325 I CA 0.310 61.584 61.300 -0.043 0.000 1.333 325 I CB 0.277 38.263 38.000 -0.023 0.000 1.415 325 I HN 0.559 nan 8.210 nan 0.000 0.502 326 E N 6.841 127.023 120.200 -0.029 0.000 2.191 326 E HA 0.297 4.625 4.350 -0.036 0.000 0.263 326 E C 0.177 176.776 176.600 -0.001 0.000 0.881 326 E CA -0.524 55.870 56.400 -0.008 0.000 0.757 326 E CB 2.120 31.818 29.700 -0.004 0.000 1.147 326 E HN 0.590 nan 8.360 nan 0.000 0.414 327 L N 1.959 123.188 121.223 0.009 0.000 2.591 327 L HA 0.021 4.339 4.340 -0.036 0.000 0.228 327 L C 0.616 177.501 176.870 0.024 0.000 1.133 327 L CA 0.427 55.278 54.840 0.018 0.000 0.880 327 L CB -0.276 41.795 42.059 0.021 0.000 1.033 327 L HN 0.485 nan 8.230 nan 0.000 0.450 328 D N -1.091 119.322 120.400 0.021 0.000 2.696 328 D HA 0.068 4.686 4.640 -0.036 0.000 0.269 328 D C 0.449 176.764 176.300 0.026 0.000 1.319 328 D CA -0.419 53.595 54.000 0.023 0.000 0.826 328 D CB 0.096 40.906 40.800 0.017 0.000 1.086 328 D HN 0.035 nan 8.370 nan 0.000 0.481 329 R N 1.237 121.759 120.500 0.036 0.000 2.594 329 R HA 0.225 4.543 4.340 -0.036 0.000 0.272 329 R C -1.346 174.982 176.300 0.046 0.000 1.074 329 R CA -1.007 55.123 56.100 0.049 0.000 1.105 329 R CB 0.566 30.920 30.300 0.089 0.000 1.008 329 R HN 0.047 nan 8.270 nan 0.000 0.472 330 P HA -0.046 nan 4.420 nan 0.000 0.240 330 P C -0.582 176.730 177.300 0.020 0.000 1.190 330 P CA 0.964 64.071 63.100 0.012 0.000 0.781 330 P CB 0.043 31.732 31.700 -0.018 0.000 0.931 331 N N -0.791 117.939 118.700 0.050 0.000 2.599 331 N HA 0.197 4.915 4.740 -0.036 0.000 0.309 331 N C -1.775 173.879 175.510 0.240 0.000 1.743 331 N CA -1.508 51.592 53.050 0.084 0.000 0.918 331 N CB 0.525 38.975 38.487 -0.063 0.000 1.339 331 N HN -0.037 nan 8.380 nan 0.000 0.493 332 P HA -0.138 nan 4.420 nan 0.000 0.219 332 P C 1.207 178.670 177.300 0.272 0.000 1.150 332 P CA 1.491 64.720 63.100 0.216 0.000 0.814 332 P CB 0.108 31.890 31.700 0.137 0.000 0.787 333 T N -3.578 111.090 114.554 0.190 0.000 3.086 333 T HA 0.077 4.406 4.350 -0.036 0.000 0.250 333 T C 1.504 176.164 174.700 -0.067 0.000 1.074 333 T CA 0.431 62.573 62.100 0.070 0.000 0.988 333 T CB -0.933 67.982 68.868 0.078 0.000 0.988 333 T HN 0.123 nan 8.240 nan 0.000 0.530 334 S N 1.011 116.818 115.700 0.179 0.000 2.650 334 S HA 0.059 4.508 4.470 -0.036 0.000 0.219 334 S C 0.632 175.491 174.600 0.432 0.000 0.960 334 S CA -0.598 57.760 58.200 0.264 0.000 0.925 334 S CB -1.094 62.316 63.200 0.351 0.000 0.775 334 S HN 0.902 nan 8.310 nan 0.000 0.525 335 H N 0.307 119.713 119.070 0.559 0.000 2.660 335 H HA 0.454 4.988 4.556 -0.037 0.000 0.374 335 H C 0.543 176.027 175.328 0.260 0.000 1.291 335 H CA -0.823 55.508 56.048 0.471 0.000 1.437 335 H CB 0.232 30.073 29.762 0.132 0.000 1.509 335 H HN 0.125 nan 8.280 nan 0.000 0.614 336 L N 0.857 122.282 121.223 0.336 0.000 2.872 336 L HA 0.327 4.645 4.340 -0.036 0.000 0.245 336 L C 1.860 178.763 176.870 0.055 0.000 1.211 336 L CA 0.231 55.154 54.840 0.137 0.000 1.013 336 L CB -0.216 41.843 42.059 0.001 0.000 1.326 336 L HN 0.890 nan 8.230 nan 0.000 0.525 337 A N 0.222 123.137 122.820 0.158 0.000 2.024 337 A HA -0.137 4.162 4.320 -0.036 0.000 0.220 337 A C 1.480 178.763 177.584 -0.502 0.000 1.164 337 A CA 1.597 53.455 52.037 -0.299 0.000 0.643 337 A CB -0.372 18.250 19.000 -0.629 0.000 0.806 337 A HN 0.402 nan 8.150 nan 0.000 0.451 338 F N -0.732 119.135 119.950 -0.138 0.000 2.647 338 F HA 0.444 4.948 4.527 -0.037 0.000 0.300 338 F C 1.529 177.031 175.800 -0.497 0.000 1.106 338 F CA 0.062 57.810 58.000 -0.420 0.000 1.313 338 F CB -0.229 38.390 39.000 -0.635 0.000 1.007 338 F HN 0.446 nan 8.300 nan 0.000 0.536 339 G N 1.234 109.958 108.800 -0.127 0.000 2.593 339 G HA2 -0.101 3.837 3.960 -0.036 0.000 0.237 339 G HA3 -0.101 3.837 3.960 -0.036 0.000 0.237 339 G C -0.710 174.298 174.900 0.180 0.000 1.312 339 G CA -0.359 44.716 45.100 -0.043 0.000 0.896 339 G HN 0.504 nan 8.290 nan 0.000 0.574 340 R N -0.908 119.723 120.500 0.218 0.000 2.664 340 R HA 0.675 4.994 4.340 -0.036 0.000 0.260 340 R C 0.601 177.005 176.300 0.172 0.000 1.062 340 R CA 1.625 57.872 56.100 0.244 0.000 0.902 340 R CB 0.815 31.162 30.300 0.077 0.000 1.258 340 R HN 2.915 nan 8.270 nan 0.000 0.465 341 G N 2.315 111.190 108.800 0.126 0.000 2.499 341 G HA2 -0.334 3.605 3.960 -0.036 0.000 0.232 341 G HA3 -0.334 3.605 3.960 -0.036 0.000 0.232 341 G C 0.333 175.265 174.900 0.054 0.000 1.251 341 G CA 0.508 45.647 45.100 0.064 0.000 0.917 341 G HN 0.751 nan 8.290 nan 0.000 0.580 342 Q N -0.829 118.955 119.800 -0.027 0.000 2.152 342 Q HA -0.114 4.204 4.340 -0.036 0.000 0.206 342 Q C 1.904 177.743 176.000 -0.269 0.000 0.985 342 Q CA 2.731 58.416 55.803 -0.196 0.000 0.863 342 Q CB -0.249 28.275 28.738 -0.356 0.000 0.904 342 Q HN 0.732 nan 8.270 nan 0.000 0.422 343 H N -1.159 117.975 119.070 0.107 0.000 2.487 343 H HA 0.104 4.640 4.556 -0.033 0.000 0.290 343 H C -0.628 174.764 175.328 0.107 0.000 1.081 343 H CA -0.483 55.622 56.048 0.095 0.000 1.116 343 H CB -0.517 29.281 29.762 0.058 0.000 1.560 343 H HN 0.203 nan 8.280 nan 0.000 0.548 344 F N 2.056 122.051 119.950 0.075 0.000 2.635 344 F HA -0.113 4.392 4.527 -0.036 0.000 0.379 344 F C 0.927 176.765 175.800 0.063 0.000 1.094 344 F CA -0.307 57.730 58.000 0.060 0.000 1.300 344 F CB 0.424 39.438 39.000 0.023 0.000 1.035 344 F HN 0.173 nan 8.300 nan 0.000 0.581 345 C N 8.811 127.728 119.300 -0.639 0.000 2.419 345 C HA -0.023 4.415 4.460 -0.036 0.000 0.398 345 C C 1.729 176.604 174.990 -0.192 0.000 1.498 345 C CA -0.717 58.079 59.018 -0.369 0.000 1.494 345 C CB -1.464 26.051 27.740 -0.375 0.000 2.485 345 C HN 0.851 nan 8.230 nan 0.000 0.608 346 L N 5.641 126.861 121.223 -0.005 0.000 2.201 346 L HA 0.052 4.370 4.340 -0.036 0.000 0.212 346 L C 2.380 179.285 176.870 0.058 0.000 1.105 346 L CA 2.150 57.052 54.840 0.104 0.000 0.775 346 L CB -1.506 40.688 42.059 0.225 0.000 0.913 346 L HN 1.007 nan 8.230 nan 0.000 0.440 347 G N -1.212 107.581 108.800 -0.012 0.000 3.371 347 G HA2 0.039 3.977 3.960 -0.036 0.000 0.248 347 G HA3 0.039 3.977 3.960 -0.036 0.000 0.248 347 G C 1.476 176.280 174.900 -0.159 0.000 1.161 347 G CA 0.662 45.758 45.100 -0.006 0.000 0.796 347 G HN 0.466 nan 8.290 nan 0.000 0.539 348 S N 0.917 116.372 115.700 -0.408 0.000 2.359 348 S HA -0.079 4.369 4.470 -0.036 0.000 0.224 348 S C 2.596 176.914 174.600 -0.471 0.000 1.035 348 S CA 1.431 59.026 58.200 -1.009 0.000 1.018 348 S CB -0.452 61.953 63.200 -1.325 0.000 0.876 348 S HN 0.466 nan 8.310 nan 0.000 0.448 349 A N 1.610 124.315 122.820 -0.192 0.000 1.933 349 A HA 0.103 4.401 4.320 -0.036 0.000 0.218 349 A C 2.251 179.841 177.584 0.010 0.000 1.175 349 A CA 1.515 53.522 52.037 -0.050 0.000 0.628 349 A CB -0.873 18.122 19.000 -0.007 0.000 0.814 349 A HN 0.505 nan 8.150 nan 0.000 0.444 350 L N 0.099 121.329 121.223 0.012 0.000 2.046 350 L HA -0.010 4.308 4.340 -0.036 0.000 0.208 350 L C 2.428 179.368 176.870 0.117 0.000 1.077 350 L CA 2.166 57.039 54.840 0.055 0.000 0.747 350 L CB -1.059 41.022 42.059 0.037 0.000 0.896 350 L HN 0.315 nan 8.230 nan 0.000 0.432 351 G N -0.953 107.917 108.800 0.118 0.000 2.418 351 G HA2 -0.261 3.677 3.960 -0.036 0.000 0.217 351 G HA3 -0.261 3.677 3.960 -0.036 0.000 0.217 351 G C 1.770 176.851 174.900 0.301 0.000 1.158 351 G CA 0.761 45.999 45.100 0.230 0.000 0.771 351 G HN 0.364 nan 8.290 nan 0.000 0.545 352 R N -0.450 120.198 120.500 0.248 0.000 2.073 352 R HA -0.052 4.267 4.340 -0.036 0.000 0.234 352 R C 2.864 179.293 176.300 0.216 0.000 1.134 352 R CA 1.280 57.531 56.100 0.251 0.000 0.952 352 R CB -0.352 30.066 30.300 0.197 0.000 0.850 352 R HN 0.272 nan 8.270 nan 0.000 0.433 353 R N 0.167 120.769 120.500 0.171 0.000 2.081 353 R HA -0.140 4.178 4.340 -0.036 0.000 0.235 353 R C 2.279 178.675 176.300 0.159 0.000 1.131 353 R CA 1.924 58.109 56.100 0.140 0.000 0.960 353 R CB -1.212 29.152 30.300 0.108 0.000 0.856 353 R HN 0.561 nan 8.270 nan 0.000 0.436 354 H N -0.281 118.851 119.070 0.103 0.000 2.319 354 H HA -0.059 4.476 4.556 -0.036 0.000 0.299 354 H C 1.952 177.339 175.328 0.098 0.000 1.092 354 H CA 2.208 58.308 56.048 0.087 0.000 1.302 354 H CB -0.371 29.456 29.762 0.107 0.000 1.373 354 H HN 0.457 nan 8.280 nan 0.000 0.497 355 A N 0.811 123.769 122.820 0.230 0.000 1.897 355 A HA -0.145 4.154 4.320 -0.036 0.000 0.215 355 A C 2.501 180.142 177.584 0.095 0.000 1.181 355 A CA 1.308 53.454 52.037 0.183 0.000 0.620 355 A CB -0.520 18.761 19.000 0.469 0.000 0.821 355 A HN 0.568 nan 8.150 nan 0.000 0.443 356 Q N -0.445 119.429 119.800 0.124 0.000 2.061 356 Q HA -0.138 4.181 4.340 -0.036 0.000 0.204 356 Q C 2.003 178.030 176.000 0.046 0.000 0.984 356 Q CA 1.790 57.647 55.803 0.090 0.000 0.846 356 Q CB -0.342 28.455 28.738 0.097 0.000 0.902 356 Q HN 0.729 nan 8.270 nan 0.000 0.421 357 I N 0.131 120.715 120.570 0.022 0.000 2.252 357 I HA -0.186 3.962 4.170 -0.036 0.000 0.245 357 I C 2.313 178.421 176.117 -0.015 0.000 1.102 357 I CA 1.103 62.402 61.300 -0.001 0.000 1.385 357 I CB -0.548 37.447 38.000 -0.008 0.000 1.064 357 I HN 0.285 nan 8.210 nan 0.000 0.414 358 G N 1.095 109.846 108.800 -0.081 0.000 2.421 358 G HA2 -0.201 3.737 3.960 -0.036 0.000 0.216 358 G HA3 -0.201 3.737 3.960 -0.036 0.000 0.216 358 G C 1.702 176.684 174.900 0.136 0.000 1.171 358 G CA 0.726 45.816 45.100 -0.017 0.000 0.775 358 G HN 0.314 nan 8.290 nan 0.000 0.543 359 I N 0.253 120.861 120.570 0.063 0.000 2.202 359 I HA -0.101 4.047 4.170 -0.036 0.000 0.242 359 I C 2.641 178.785 176.117 0.045 0.000 1.091 359 I CA 1.343 62.679 61.300 0.060 0.000 1.368 359 I CB -0.227 37.801 38.000 0.046 0.000 1.058 359 I HN 0.276 nan 8.210 nan 0.000 0.410 360 E N 1.231 121.455 120.200 0.040 0.000 2.058 360 E HA -0.281 4.047 4.350 -0.036 0.000 0.194 360 E C 2.256 178.868 176.600 0.020 0.000 0.997 360 E CA 1.564 57.983 56.400 0.030 0.000 0.801 360 E CB -0.052 29.662 29.700 0.024 0.000 0.746 360 E HN 0.491 nan 8.360 nan 0.000 0.450 361 A N 0.801 123.635 122.820 0.023 0.000 1.902 361 A HA -0.164 4.134 4.320 -0.036 0.000 0.217 361 A C 2.142 179.688 177.584 -0.063 0.000 1.181 361 A CA 1.365 53.402 52.037 -0.000 0.000 0.623 361 A CB -0.678 18.346 19.000 0.039 0.000 0.818 361 A HN 0.387 nan 8.150 nan 0.000 0.443 362 L N -0.189 120.988 121.223 -0.076 0.000 2.017 362 L HA -0.083 4.235 4.340 -0.036 0.000 0.208 362 L C 2.256 179.041 176.870 -0.141 0.000 1.073 362 L CA 1.666 56.374 54.840 -0.220 0.000 0.745 362 L CB -0.412 41.511 42.059 -0.226 0.000 0.894 362 L HN 0.395 nan 8.230 nan 0.000 0.432 363 L N -0.559 120.639 121.223 -0.041 0.000 2.131 363 L HA -0.217 4.101 4.340 -0.036 0.000 0.210 363 L C 2.616 179.543 176.870 0.096 0.000 1.092 363 L CA 1.554 56.408 54.840 0.024 0.000 0.759 363 L CB -0.593 41.527 42.059 0.101 0.000 0.903 363 L HN 0.329 nan 8.230 nan 0.000 0.435 364 K N 0.164 120.607 120.400 0.070 0.000 2.057 364 K HA -0.135 4.163 4.320 -0.036 0.000 0.206 364 K C 2.136 178.736 176.600 -0.002 0.000 1.050 364 K CA 1.061 57.394 56.287 0.077 0.000 0.935 364 K CB 0.222 32.735 32.500 0.022 0.000 0.715 364 K HN 0.073 nan 8.250 nan 0.000 0.439 365 K N -0.419 119.926 120.400 -0.092 0.000 2.243 365 K HA 0.064 4.363 4.320 -0.036 0.000 0.201 365 K C 0.635 177.101 176.600 -0.223 0.000 1.051 365 K CA 0.752 56.942 56.287 -0.163 0.000 0.970 365 K CB 0.425 32.782 32.500 -0.239 0.000 0.755 365 K HN 0.240 nan 8.250 nan 0.000 0.465 366 M N 1.514 120.977 119.600 -0.228 0.000 3.053 366 M HA 0.138 4.596 4.480 -0.036 0.000 0.293 366 M C -2.062 174.159 176.300 -0.132 0.000 1.470 366 M CA -1.222 53.944 55.300 -0.223 0.000 0.582 366 M CB 1.706 34.087 32.600 -0.365 0.000 1.435 366 M HN -0.215 nan 8.290 nan 0.000 0.451 367 P HA -0.067 nan 4.420 nan 0.000 0.222 367 P C 1.181 178.376 177.300 -0.175 0.000 1.147 367 P CA 1.253 64.174 63.100 -0.298 0.000 0.790 367 P CB 0.111 31.483 31.700 -0.548 0.000 0.780 368 G N 0.192 108.960 108.800 -0.055 0.000 3.181 368 G HA2 0.054 3.992 3.960 -0.036 0.000 0.219 368 G HA3 0.054 3.992 3.960 -0.036 0.000 0.219 368 G C 0.309 175.241 174.900 0.054 0.000 1.182 368 G CA -0.181 44.920 45.100 0.003 0.000 0.791 368 G HN 0.257 nan 8.290 nan 0.000 0.537 369 V N 0.807 120.753 119.914 0.053 0.000 2.644 369 V HA 0.289 4.387 4.120 -0.036 0.000 0.305 369 V C -0.517 175.607 176.094 0.050 0.000 1.053 369 V CA 0.416 62.767 62.300 0.086 0.000 1.186 369 V CB 1.275 33.107 31.823 0.014 0.000 0.895 369 V HN 0.324 nan 8.190 nan 0.000 0.490 370 D N 3.886 124.323 120.400 0.062 0.000 2.609 370 D HA 0.363 4.981 4.640 -0.036 0.000 0.239 370 D C -0.689 175.630 176.300 0.032 0.000 1.229 370 D CA -0.603 53.416 54.000 0.031 0.000 0.808 370 D CB 1.508 42.315 40.800 0.011 0.000 1.448 370 D HN 0.529 nan 8.370 nan 0.000 0.433 371 L N 1.178 122.414 121.223 0.021 0.000 2.483 371 L HA 0.360 4.678 4.340 -0.036 0.000 0.276 371 L C 1.289 178.159 176.870 -0.001 0.000 1.213 371 L CA 0.000 54.849 54.840 0.015 0.000 0.843 371 L CB 0.688 42.757 42.059 0.016 0.000 1.107 371 L HN 0.613 nan 8.230 nan 0.000 0.487 372 A N 3.169 125.984 122.820 -0.008 0.000 2.348 372 A HA 0.379 4.677 4.320 -0.036 0.000 0.224 372 A C 0.224 177.792 177.584 -0.028 0.000 1.227 372 A CA 0.167 52.185 52.037 -0.030 0.000 0.885 372 A CB 0.140 19.115 19.000 -0.043 0.000 0.933 372 A HN 0.499 nan 8.150 nan 0.000 0.506 373 V N -4.247 115.657 119.914 -0.017 0.000 3.078 373 V HA 0.676 4.774 4.120 -0.036 0.000 0.311 373 V C -3.348 172.745 176.094 -0.001 0.000 1.138 373 V CA -2.820 59.472 62.300 -0.014 0.000 1.007 373 V CB 1.296 33.108 31.823 -0.019 0.000 1.045 373 V HN 0.022 nan 8.190 nan 0.000 0.432 374 P HA 0.220 nan 4.420 nan 0.000 0.266 374 P C 0.766 178.085 177.300 0.030 0.000 1.195 374 P CA 0.008 63.118 63.100 0.016 0.000 0.768 374 P CB 0.549 32.258 31.700 0.015 0.000 0.838 375 I N 2.308 122.906 120.570 0.048 0.000 2.335 375 I HA -0.252 3.897 4.170 -0.036 0.000 0.251 375 I C 1.160 177.344 176.117 0.111 0.000 1.129 375 I CA 1.846 63.195 61.300 0.081 0.000 1.402 375 I CB -0.428 37.630 38.000 0.096 0.000 1.069 375 I HN 0.247 nan 8.210 nan 0.000 0.424 376 D N 0.067 120.521 120.400 0.090 0.000 2.350 376 D HA -0.122 4.496 4.640 -0.036 0.000 0.216 376 D C 1.868 178.222 176.300 0.090 0.000 0.968 376 D CA 0.584 54.647 54.000 0.105 0.000 0.894 376 D CB -0.124 40.718 40.800 0.071 0.000 0.909 376 D HN 0.444 nan 8.370 nan 0.000 0.520 377 Q N -0.131 119.699 119.800 0.050 0.000 2.451 377 Q HA 0.094 4.412 4.340 -0.036 0.000 0.206 377 Q C 0.670 176.655 176.000 -0.024 0.000 0.947 377 Q CA 0.025 55.837 55.803 0.015 0.000 0.937 377 Q CB 0.280 29.017 28.738 -0.001 0.000 1.025 377 Q HN 0.378 nan 8.270 nan 0.000 0.511 378 L N 0.916 122.117 121.223 -0.037 0.000 2.456 378 L HA 0.068 4.386 4.340 -0.036 0.000 0.272 378 L C 0.111 176.806 176.870 -0.292 0.000 1.189 378 L CA -0.248 54.459 54.840 -0.221 0.000 0.846 378 L CB 0.466 42.315 42.059 -0.350 0.000 1.111 378 L HN -0.218 nan 8.230 nan 0.000 0.475 379 V N 2.219 121.907 119.914 -0.377 0.000 2.333 379 V HA 0.168 4.267 4.120 -0.036 0.000 0.274 379 V C -0.528 175.352 176.094 -0.355 0.000 1.028 379 V CA -0.470 61.690 62.300 -0.234 0.000 0.851 379 V CB 0.650 32.389 31.823 -0.140 0.000 1.000 379 V HN 0.546 nan 8.190 nan 0.000 0.456 380 W N 4.449 125.746 121.300 -0.005 0.000 2.335 380 W HA 0.501 5.139 4.660 -0.037 0.000 0.306 380 W C 0.828 177.339 176.519 -0.013 0.000 1.216 380 W CA -0.526 56.817 57.345 -0.004 0.000 1.237 380 W CB 0.548 30.014 29.460 0.011 0.000 1.243 380 W HN 0.429 nan 8.180 nan 0.000 0.493 381 R N 2.512 123.100 120.500 0.147 0.000 2.522 381 R HA 0.114 4.432 4.340 -0.036 0.000 0.284 381 R C 0.412 176.793 176.300 0.134 0.000 1.032 381 R CA 0.356 56.484 56.100 0.048 0.000 1.049 381 R CB 0.398 30.629 30.300 -0.115 0.000 0.956 381 R HN 0.563 nan 8.270 nan 0.000 0.422 382 T N 1.436 116.049 114.554 0.097 0.000 2.944 382 T HA 0.335 4.664 4.350 -0.036 0.000 0.284 382 T C -0.027 174.755 174.700 0.137 0.000 1.010 382 T CA -0.974 61.194 62.100 0.115 0.000 1.025 382 T CB 1.210 70.127 68.868 0.081 0.000 1.079 382 T HN 0.779 nan 8.240 nan 0.000 0.516 383 R N -0.281 120.291 120.500 0.121 0.000 3.322 383 R HA -0.161 4.157 4.340 -0.036 0.000 0.253 383 R C -1.123 175.298 176.300 0.202 0.000 0.987 383 R CA 0.242 56.410 56.100 0.113 0.000 0.666 383 R CB -2.014 28.331 30.300 0.076 0.000 1.072 383 R HN 0.609 nan 8.270 nan 0.000 0.447 384 F N -0.741 119.216 119.950 0.010 0.000 2.603 384 F HA 0.214 4.719 4.527 -0.035 0.000 0.317 384 F C 1.259 177.061 175.800 0.002 0.000 1.066 384 F CA -1.031 56.979 58.000 0.016 0.000 0.941 384 F CB 1.589 40.605 39.000 0.026 0.000 1.291 384 F HN -0.110 nan 8.300 nan 0.000 0.472 385 Q N 1.555 121.013 119.800 -0.571 0.000 2.472 385 Q HA 0.114 4.433 4.340 -0.036 0.000 0.208 385 Q C -0.132 175.663 176.000 -0.340 0.000 0.958 385 Q CA 0.636 56.214 55.803 -0.376 0.000 0.932 385 Q CB 0.296 28.832 28.738 -0.337 0.000 1.007 385 Q HN 0.205 nan 8.270 nan 0.000 0.508 386 R N 0.206 120.592 120.500 -0.189 0.000 2.854 386 R HA 0.453 4.771 4.340 -0.036 0.000 0.271 386 R C -0.654 175.797 176.300 0.251 0.000 0.994 386 R CA -0.676 55.429 56.100 0.008 0.000 0.945 386 R CB 1.255 31.573 30.300 0.030 0.000 1.194 386 R HN 0.015 nan 8.270 nan 0.000 0.476 387 R N 2.097 122.716 120.500 0.198 0.000 2.229 387 R HA 0.570 4.888 4.340 -0.036 0.000 0.328 387 R C 0.040 176.582 176.300 0.402 0.000 1.009 387 R CA -0.342 55.929 56.100 0.287 0.000 0.864 387 R CB 0.666 31.060 30.300 0.156 0.000 1.085 387 R HN 0.572 nan 8.270 nan 0.000 0.453 388 I N -0.442 120.398 120.570 0.449 0.000 2.841 388 I HA 0.534 4.682 4.170 -0.036 0.000 0.298 388 I C -2.817 173.242 176.117 -0.098 0.000 1.304 388 I CA -3.050 58.398 61.300 0.247 0.000 1.019 388 I CB 2.847 40.898 38.000 0.085 0.000 1.282 388 I HN 0.349 nan 8.210 nan 0.000 0.432 389 P HA 0.217 nan 4.420 nan 0.000 0.279 389 P C -0.155 176.918 177.300 -0.378 0.000 1.239 389 P CA 0.002 62.609 63.100 -0.821 0.000 0.789 389 P CB 1.454 32.614 31.700 -0.899 0.000 0.933 390 E N 2.150 122.161 120.200 -0.314 0.000 2.106 390 E HA -0.089 4.239 4.350 -0.036 0.000 0.192 390 E C 0.446 176.958 176.600 -0.146 0.000 0.984 390 E CA 1.296 57.583 56.400 -0.188 0.000 0.806 390 E CB 0.174 29.784 29.700 -0.151 0.000 0.750 390 E HN 0.530 nan 8.360 nan 0.000 0.458 391 R N -0.270 120.128 120.500 -0.169 0.000 2.795 391 R HA 0.427 4.746 4.340 -0.036 0.000 0.275 391 R C -1.012 175.204 176.300 -0.140 0.000 0.981 391 R CA -0.774 55.256 56.100 -0.116 0.000 0.917 391 R CB 1.657 31.907 30.300 -0.083 0.000 1.202 391 R HN -0.113 nan 8.270 nan 0.000 0.469 392 L N 3.468 124.640 121.223 -0.084 0.000 2.457 392 L HA 0.467 4.785 4.340 -0.036 0.000 0.252 392 L C -2.643 174.214 176.870 -0.022 0.000 1.132 392 L CA -2.297 52.502 54.840 -0.069 0.000 0.938 392 L CB 1.120 43.149 42.059 -0.049 0.000 1.246 392 L HN 0.397 nan 8.230 nan 0.000 0.476 393 P HA 0.301 nan 4.420 nan 0.000 0.276 393 P C -0.835 176.478 177.300 0.021 0.000 1.253 393 P CA 0.001 63.102 63.100 0.002 0.000 0.766 393 P CB 1.187 32.876 31.700 -0.017 0.000 0.845 394 V N 2.193 122.147 119.914 0.066 0.000 3.102 394 V HA 0.833 4.932 4.120 -0.036 0.000 0.312 394 V C -0.681 175.485 176.094 0.120 0.000 1.135 394 V CA -1.111 61.248 62.300 0.099 0.000 1.022 394 V CB 1.783 33.686 31.823 0.134 0.000 1.056 394 V HN 0.344 nan 8.190 nan 0.000 0.436 395 L N 0.072 121.335 121.223 0.066 0.000 2.250 395 L HA 1.115 5.433 4.340 -0.036 0.000 0.252 395 L C -0.575 176.346 176.870 0.085 0.000 1.054 395 L CA -0.585 54.162 54.840 -0.155 0.000 0.856 395 L CB 1.371 43.260 42.059 -0.283 0.000 1.443 395 L HN 1.124 nan 8.230 nan 0.000 0.427 396 W N 0.000 121.262 121.300 -0.063 0.000 2.388 396 W HA 0.000 4.638 4.660 -0.037 0.000 0.303 396 W CA 0.000 57.302 57.345 -0.072 0.000 1.226 396 W CB 0.000 29.407 29.460 -0.089 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535