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 1o9p_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG ASSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 I N 1.233 121.795 120.570 -0.014 0.000 2.371 2 I HA 0.272 4.441 4.170 -0.002 0.000 0.290 2 I C 0.353 176.455 176.117 -0.024 0.000 1.028 2 I CA -0.250 61.039 61.300 -0.018 0.000 1.345 2 I CB 1.565 39.554 38.000 -0.019 0.000 1.407 2 I HN 0.566 nan 8.210 nan 0.000 0.501 3 S N 5.958 121.640 115.700 -0.030 0.000 2.430 3 S HA 0.166 4.635 4.470 -0.002 0.000 0.289 3 S C 0.730 175.304 174.600 -0.042 0.000 1.143 3 S CA -0.761 57.412 58.200 -0.045 0.000 1.067 3 S CB 0.809 63.978 63.200 -0.051 0.000 0.964 3 S HN 0.572 nan 8.310 nan 0.000 0.485 4 L N 6.855 128.049 121.223 -0.049 0.000 2.017 4 L HA 0.125 4.464 4.340 -0.002 0.000 0.208 4 L C 2.398 179.244 176.870 -0.040 0.000 1.073 4 L CA 2.608 57.423 54.840 -0.041 0.000 0.745 4 L CB -1.514 40.518 42.059 -0.046 0.000 0.894 4 L HN 0.821 nan 8.230 nan 0.000 0.432 5 A N -0.547 122.238 122.820 -0.058 0.000 1.908 5 A HA -0.300 4.019 4.320 -0.002 0.000 0.218 5 A C 2.087 179.658 177.584 -0.022 0.000 1.181 5 A CA 1.945 53.955 52.037 -0.045 0.000 0.627 5 A CB -1.127 17.825 19.000 -0.080 0.000 0.818 5 A HN 0.635 nan 8.150 nan 0.000 0.445 6 D N -0.176 120.208 120.400 -0.027 0.000 2.097 6 D HA -0.143 4.496 4.640 -0.002 0.000 0.195 6 D C 1.830 178.126 176.300 -0.006 0.000 0.989 6 D CA 1.490 55.484 54.000 -0.011 0.000 0.827 6 D CB -0.258 40.533 40.800 -0.014 0.000 0.966 6 D HN 0.412 nan 8.370 nan 0.000 0.456 7 L N -0.066 121.150 121.223 -0.011 0.000 2.042 7 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 7 L C 2.797 179.665 176.870 -0.003 0.000 1.076 7 L CA 1.209 56.044 54.840 -0.008 0.000 0.749 7 L CB -0.598 41.453 42.059 -0.013 0.000 0.893 7 L HN 0.229 nan 8.230 nan 0.000 0.432 8 Q N -0.201 119.596 119.800 -0.004 0.000 2.061 8 Q HA -0.245 4.094 4.340 -0.002 0.000 0.204 8 Q C 2.440 178.445 176.000 0.008 0.000 0.984 8 Q CA 1.737 57.541 55.803 0.002 0.000 0.846 8 Q CB -0.073 28.666 28.738 0.002 0.000 0.902 8 Q HN 0.465 nan 8.270 nan 0.000 0.421 9 R N -0.042 120.465 120.500 0.011 0.000 2.066 9 R HA -0.074 4.265 4.340 -0.002 0.000 0.232 9 R C 2.315 178.624 176.300 0.014 0.000 1.131 9 R CA 1.113 57.223 56.100 0.017 0.000 0.955 9 R CB -0.109 30.204 30.300 0.023 0.000 0.851 9 R HN 0.176 nan 8.270 nan 0.000 0.432 10 R N 0.198 120.704 120.500 0.010 0.000 2.115 10 R HA -0.028 4.311 4.340 -0.002 0.000 0.230 10 R C 2.233 178.538 176.300 0.008 0.000 1.111 10 R CA 1.031 57.136 56.100 0.009 0.000 0.976 10 R CB -0.170 30.134 30.300 0.007 0.000 0.870 10 R HN 0.260 nan 8.270 nan 0.000 0.445 11 I N 0.415 120.989 120.570 0.007 0.000 2.286 11 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 11 I C 2.423 178.545 176.117 0.009 0.000 1.104 11 I CA 0.989 62.293 61.300 0.007 0.000 1.397 11 I CB -0.135 37.868 38.000 0.005 0.000 1.072 11 I HN 0.084 nan 8.210 nan 0.000 0.417 12 E N 1.149 121.355 120.200 0.010 0.000 2.118 12 E HA -0.233 4.116 4.350 -0.002 0.000 0.195 12 E C 2.032 178.639 176.600 0.012 0.000 0.992 12 E CA 2.184 58.591 56.400 0.012 0.000 0.804 12 E CB -0.239 29.470 29.700 0.015 0.000 0.741 12 E HN 0.511 nan 8.360 nan 0.000 0.458 13 T N -3.984 110.577 114.554 0.012 0.000 3.088 13 T HA 0.228 4.577 4.350 -0.002 0.000 0.259 13 T C 1.567 176.273 174.700 0.010 0.000 1.122 13 T CA 0.741 62.848 62.100 0.012 0.000 1.095 13 T CB 0.083 68.959 68.868 0.012 0.000 0.930 13 T HN 0.373 nan 8.240 nan 0.000 0.508 14 G N 1.285 110.091 108.800 0.009 0.000 2.176 14 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.232 14 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.232 14 G C 0.593 175.497 174.900 0.008 0.000 0.986 14 G CA 0.580 45.685 45.100 0.008 0.000 0.643 14 G HN 0.617 nan 8.290 nan 0.000 0.522 15 E N -0.766 119.439 120.200 0.008 0.000 2.153 15 E HA 0.094 4.443 4.350 -0.002 0.000 0.194 15 E C 0.873 177.477 176.600 0.007 0.000 0.988 15 E CA 0.970 57.374 56.400 0.007 0.000 0.811 15 E CB -0.006 29.699 29.700 0.008 0.000 0.746 15 E HN 0.617 nan 8.360 nan 0.000 0.466 16 L N 0.894 122.121 121.223 0.006 0.000 2.410 16 L HA 0.291 4.630 4.340 -0.002 0.000 0.270 16 L C -0.714 176.160 176.870 0.006 0.000 0.983 16 L CA -0.629 54.214 54.840 0.006 0.000 0.822 16 L CB 1.951 44.013 42.059 0.004 0.000 1.285 16 L HN 0.052 nan 8.230 nan 0.000 0.409 17 S N 3.834 119.538 115.700 0.007 0.000 2.601 17 S HA 0.545 5.014 4.470 -0.002 0.000 0.271 17 S C -2.065 172.540 174.600 0.008 0.000 1.305 17 S CA -0.925 57.280 58.200 0.008 0.000 1.022 17 S CB 1.155 64.360 63.200 0.009 0.000 0.940 17 S HN 0.622 nan 8.310 nan 0.000 0.525 18 P HA -0.054 nan 4.420 nan 0.000 0.218 18 P C 0.996 178.304 177.300 0.013 0.000 1.148 18 P CA 0.975 64.080 63.100 0.008 0.000 0.822 18 P CB -0.004 31.701 31.700 0.009 0.000 0.784 19 N N -0.519 118.191 118.700 0.017 0.000 2.120 19 N HA -0.113 4.626 4.740 -0.002 0.000 0.188 19 N C 1.708 177.236 175.510 0.030 0.000 1.024 19 N CA 1.608 54.674 53.050 0.026 0.000 0.852 19 N CB -1.040 37.460 38.487 0.022 0.000 1.003 19 N HN 0.041 nan 8.380 nan 0.000 0.424 20 A N 0.847 123.679 122.820 0.021 0.000 1.898 20 A HA 0.064 4.383 4.320 -0.002 0.000 0.216 20 A C 2.347 179.941 177.584 0.017 0.000 1.181 20 A CA 1.845 53.894 52.037 0.020 0.000 0.620 20 A CB -0.880 18.128 19.000 0.013 0.000 0.819 20 A HN 0.303 nan 8.150 nan 0.000 0.442 21 A N 0.068 122.894 122.820 0.009 0.000 1.883 21 A HA -0.109 4.210 4.320 -0.002 0.000 0.217 21 A C 1.989 179.567 177.584 -0.011 0.000 1.186 21 A CA 1.755 53.791 52.037 -0.002 0.000 0.624 21 A CB -0.505 18.492 19.000 -0.005 0.000 0.822 21 A HN 0.405 nan 8.150 nan 0.000 0.444 22 I N -0.156 120.411 120.570 -0.004 0.000 2.315 22 I HA -0.185 3.984 4.170 -0.002 0.000 0.248 22 I C 2.868 178.999 176.117 0.023 0.000 1.117 22 I CA 1.293 62.575 61.300 -0.030 0.000 1.404 22 I CB -1.575 36.430 38.000 0.009 0.000 1.071 22 I HN 0.367 nan 8.210 nan 0.000 0.419 23 A N -0.026 122.848 122.820 0.090 0.000 1.930 23 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 23 A C 2.263 179.898 177.584 0.086 0.000 1.175 23 A CA 1.368 53.486 52.037 0.136 0.000 0.627 23 A CB -0.504 18.545 19.000 0.081 0.000 0.815 23 A HN 0.353 nan 8.150 nan 0.000 0.443 24 Q N 0.004 119.823 119.800 0.032 0.000 2.061 24 Q HA -0.121 4.218 4.340 -0.002 0.000 0.204 24 Q C 2.461 178.456 176.000 -0.008 0.000 0.984 24 Q CA 2.200 58.010 55.803 0.010 0.000 0.846 24 Q CB -0.271 28.465 28.738 -0.004 0.000 0.902 24 Q HN 0.643 nan 8.270 nan 0.000 0.421 25 S N -0.540 115.129 115.700 -0.051 0.000 2.356 25 S HA -0.162 4.307 4.470 -0.002 0.000 0.223 25 S C 1.663 176.192 174.600 -0.118 0.000 1.032 25 S CA 1.064 59.198 58.200 -0.110 0.000 1.005 25 S CB -0.430 62.662 63.200 -0.180 0.000 0.867 25 S HN 0.459 nan 8.310 nan 0.000 0.449 26 H N 1.493 120.556 119.070 -0.013 0.000 2.352 26 H HA -0.027 4.528 4.556 -0.002 0.000 0.299 26 H C 2.499 177.830 175.328 0.005 0.000 1.097 26 H CA 1.482 57.550 56.048 0.034 0.000 1.311 26 H CB -0.738 29.078 29.762 0.091 0.000 1.377 26 H HN 0.437 nan 8.280 nan 0.000 0.504 27 A N 1.026 123.920 122.820 0.124 0.000 1.902 27 A HA -0.076 4.243 4.320 -0.002 0.000 0.217 27 A C 2.719 180.311 177.584 0.014 0.000 1.181 27 A CA 1.748 53.821 52.037 0.059 0.000 0.623 27 A CB -0.786 18.239 19.000 0.042 0.000 0.818 27 A HN 0.443 nan 8.150 nan 0.000 0.443 28 A N -0.096 122.717 122.820 -0.011 0.000 1.902 28 A HA -0.063 4.256 4.320 -0.002 0.000 0.217 28 A C 2.117 179.671 177.584 -0.051 0.000 1.181 28 A CA 1.484 53.504 52.037 -0.030 0.000 0.623 28 A CB -0.576 18.404 19.000 -0.034 0.000 0.818 28 A HN 0.500 nan 8.150 nan 0.000 0.443 29 I N -0.924 119.580 120.570 -0.110 0.000 2.179 29 I HA -0.220 3.949 4.170 -0.002 0.000 0.242 29 I C 2.531 178.583 176.117 -0.108 0.000 1.088 29 I CA 1.646 62.828 61.300 -0.196 0.000 1.357 29 I CB -0.312 37.311 38.000 -0.629 0.000 1.051 29 I HN 0.260 nan 8.210 nan 0.000 0.409 30 E N 1.019 121.194 120.200 -0.042 0.000 2.160 30 E HA -0.190 4.159 4.350 -0.002 0.000 0.195 30 E C 2.122 178.725 176.600 0.004 0.000 0.991 30 E CA 1.419 57.831 56.400 0.019 0.000 0.810 30 E CB -0.201 29.532 29.700 0.055 0.000 0.742 30 E HN 0.462 nan 8.360 nan 0.000 0.466 31 A N -0.024 122.792 122.820 -0.007 0.000 2.015 31 A HA -0.091 4.228 4.320 -0.002 0.000 0.219 31 A C 1.760 179.332 177.584 -0.019 0.000 1.163 31 A CA 1.233 53.264 52.037 -0.010 0.000 0.646 31 A CB 0.013 19.005 19.000 -0.013 0.000 0.806 31 A HN 0.039 nan 8.150 nan 0.000 0.448 32 R N -1.716 118.768 120.500 -0.026 0.000 2.521 32 R HA 0.105 4.444 4.340 -0.002 0.000 0.289 32 R C 1.406 177.680 176.300 -0.044 0.000 0.936 32 R CA 0.649 56.725 56.100 -0.040 0.000 1.089 32 R CB -0.123 30.147 30.300 -0.050 0.000 1.348 32 R HN 0.521 nan 8.270 nan 0.000 0.536 33 E N 2.410 122.604 120.200 -0.009 0.000 2.118 33 E HA -0.130 4.219 4.350 -0.002 0.000 0.195 33 E C 1.294 177.905 176.600 0.018 0.000 0.992 33 E CA 1.565 57.984 56.400 0.031 0.000 0.804 33 E CB 0.087 29.825 29.700 0.064 0.000 0.741 33 E HN 0.148 nan 8.360 nan 0.000 0.458 34 K N -0.188 120.224 120.400 0.021 0.000 2.280 34 K HA -0.164 4.155 4.320 -0.002 0.000 0.202 34 K C 1.856 178.410 176.600 -0.077 0.000 1.047 34 K CA 1.510 57.835 56.287 0.064 0.000 0.942 34 K CB -0.057 32.478 32.500 0.058 0.000 0.739 34 K HN 0.456 nan 8.250 nan 0.000 0.457 35 E N -0.559 119.507 120.200 -0.222 0.000 2.389 35 E HA -0.001 4.348 4.350 -0.002 0.000 0.199 35 E C 1.511 177.763 176.600 -0.580 0.000 0.978 35 E CA 0.162 56.359 56.400 -0.339 0.000 0.912 35 E CB 0.286 29.897 29.700 -0.148 0.000 0.907 35 E HN -0.080 nan 8.360 nan 0.000 0.494 36 V N 0.594 120.226 119.914 -0.470 0.000 2.949 36 V HA -0.013 4.106 4.120 -0.002 0.000 0.245 36 V C 0.043 175.981 176.094 -0.259 0.000 1.086 36 V CA 1.019 63.131 62.300 -0.313 0.000 1.097 36 V CB -0.990 30.751 31.823 -0.137 0.000 0.762 36 V HN 0.429 nan 8.190 nan 0.000 0.470 37 H N -0.702 118.391 119.070 0.039 0.000 2.756 37 H HA -0.193 4.362 4.556 -0.002 0.000 0.315 37 H C 1.327 176.673 175.328 0.030 0.000 1.210 37 H CA 0.212 56.290 56.048 0.049 0.000 1.150 37 H CB -1.451 28.328 29.762 0.029 0.000 1.463 37 H HN 0.479 nan 8.280 nan 0.000 0.427 38 A N -0.358 122.522 122.820 0.100 0.000 2.123 38 A HA 0.216 4.535 4.320 -0.002 0.000 0.214 38 A C 0.437 177.905 177.584 -0.194 0.000 1.152 38 A CA 0.457 52.450 52.037 -0.074 0.000 0.728 38 A CB 0.317 19.212 19.000 -0.175 0.000 0.814 38 A HN 0.257 nan 8.150 nan 0.000 0.464 39 F N -1.814 118.142 119.950 0.011 0.000 2.443 39 F HA 0.410 4.936 4.527 -0.001 0.000 0.335 39 F C 1.181 177.003 175.800 0.036 0.000 1.104 39 F CA -0.436 57.575 58.000 0.017 0.000 1.013 39 F CB 1.937 40.952 39.000 0.026 0.000 1.136 39 F HN -0.169 nan 8.300 nan 0.000 0.470 40 V N 2.206 122.236 119.914 0.193 0.000 2.535 40 V HA 0.074 4.193 4.120 -0.002 0.000 0.246 40 V C 0.465 176.656 176.094 0.162 0.000 1.045 40 V CA 1.104 63.481 62.300 0.127 0.000 1.058 40 V CB -0.336 31.531 31.823 0.074 0.000 0.689 40 V HN 0.608 nan 8.190 nan 0.000 0.461 41 R N -0.718 119.923 120.500 0.235 0.000 2.515 41 R HA 0.373 4.712 4.340 -0.002 0.000 0.278 41 R C -0.979 175.472 176.300 0.251 0.000 1.107 41 R CA -0.452 55.764 56.100 0.193 0.000 0.945 41 R CB 1.561 31.936 30.300 0.124 0.000 1.219 41 R HN 0.431 nan 8.270 nan 0.000 0.434 42 H N 2.280 121.345 119.070 -0.009 0.000 2.581 42 H HA 0.137 4.692 4.556 -0.002 0.000 0.308 42 H C -0.972 174.311 175.328 -0.074 0.000 1.040 42 H CA -0.694 55.239 56.048 -0.191 0.000 1.231 42 H CB 1.287 30.833 29.762 -0.360 0.000 1.396 42 H HN 0.493 nan 8.280 nan 0.000 0.467 43 D N 5.123 125.569 120.400 0.075 0.000 2.435 43 D HA 0.016 4.655 4.640 -0.002 0.000 0.230 43 D C 0.725 176.945 176.300 -0.132 0.000 1.215 43 D CA -0.115 53.866 54.000 -0.032 0.000 0.947 43 D CB 0.625 41.459 40.800 0.057 0.000 1.048 43 D HN 0.618 nan 8.370 nan 0.000 0.512 44 K N 0.838 120.956 120.400 -0.470 0.000 2.281 44 K HA -0.116 4.203 4.320 -0.002 0.000 0.203 44 K C 1.638 177.955 176.600 -0.472 0.000 1.046 44 K CA 1.127 57.037 56.287 -0.628 0.000 0.938 44 K CB 0.097 32.270 32.500 -0.546 0.000 0.737 44 K HN 0.378 nan 8.250 nan 0.000 0.458 45 S N 0.119 115.687 115.700 -0.221 0.000 2.558 45 S HA 0.176 4.645 4.470 -0.002 0.000 0.217 45 S C 0.790 175.378 174.600 -0.021 0.000 0.975 45 S CA -0.310 57.810 58.200 -0.135 0.000 0.912 45 S CB 0.110 63.257 63.200 -0.089 0.000 0.776 45 S HN 0.193 nan 8.310 nan 0.000 0.526 46 A N 2.303 125.175 122.820 0.087 0.000 2.566 46 A HA 0.372 4.691 4.320 -0.002 0.000 0.245 46 A C 0.514 178.228 177.584 0.216 0.000 1.056 46 A CA -0.047 52.089 52.037 0.166 0.000 0.757 46 A CB 0.017 19.142 19.000 0.209 0.000 0.979 46 A HN 0.634 nan 8.150 nan 0.000 0.508 47 R N 1.440 122.005 120.500 0.109 0.000 2.873 47 R HA 0.665 5.004 4.340 -0.002 0.000 0.264 47 R C 0.019 176.354 176.300 0.058 0.000 1.026 47 R CA -0.485 55.668 56.100 0.089 0.000 1.002 47 R CB 1.882 32.211 30.300 0.047 0.000 1.174 47 R HN 0.814 nan 8.270 nan 0.000 0.488 48 A N 1.369 124.217 122.820 0.046 0.000 2.351 48 A HA 0.186 4.505 4.320 -0.002 0.000 0.257 48 A C -0.173 177.423 177.584 0.020 0.000 1.087 48 A CA -0.264 51.789 52.037 0.026 0.000 0.798 48 A CB 0.460 19.473 19.000 0.022 0.000 1.033 48 A HN 0.600 nan 8.150 nan 0.000 0.488 49 Q N -0.145 119.663 119.800 0.014 0.000 2.212 49 Q HA 0.491 4.830 4.340 -0.002 0.000 0.238 49 Q C 0.904 176.910 176.000 0.010 0.000 0.955 49 Q CA -0.034 55.776 55.803 0.012 0.000 0.906 49 Q CB 1.489 30.233 28.738 0.010 0.000 1.215 49 Q HN 0.820 nan 8.270 nan 0.000 0.478 50 A N 0.564 123.390 122.820 0.009 0.000 2.132 50 A HA 0.065 4.384 4.320 -0.002 0.000 0.213 50 A C 0.574 178.162 177.584 0.008 0.000 1.154 50 A CA 0.771 52.813 52.037 0.008 0.000 0.753 50 A CB 0.242 19.247 19.000 0.007 0.000 0.826 50 A HN 0.627 nan 8.150 nan 0.000 0.469 51 S N -2.862 112.843 115.700 0.008 0.000 2.685 51 S HA 0.741 5.210 4.470 -0.002 0.000 0.282 51 S C -0.082 174.522 174.600 0.008 0.000 1.159 51 S CA -0.197 58.007 58.200 0.008 0.000 0.833 51 S CB 1.146 64.351 63.200 0.008 0.000 1.151 51 S HN 2.020 nan 8.310 nan 0.000 0.485 52 G N 1.084 109.889 108.800 0.008 0.000 2.650 52 G HA2 0.053 4.012 3.960 -0.002 0.000 0.686 52 G HA3 0.053 4.012 3.960 -0.002 0.000 0.686 52 G C -2.103 172.802 174.900 0.008 0.000 1.205 52 G CA -0.292 44.813 45.100 0.009 0.000 0.781 52 G HN 0.630 nan 8.290 nan 0.000 0.648 53 P HA -0.061 nan 4.420 nan 0.000 0.219 53 P C 1.552 178.854 177.300 0.004 0.000 1.146 53 P CA 1.134 64.240 63.100 0.009 0.000 0.808 53 P CB 0.148 31.855 31.700 0.011 0.000 0.779 54 L N -0.377 120.847 121.223 0.001 0.000 2.700 54 L HA 0.181 4.520 4.340 -0.002 0.000 0.234 54 L C 1.264 178.134 176.870 -0.001 0.000 1.156 54 L CA -0.596 54.243 54.840 -0.003 0.000 0.946 54 L CB -0.470 41.586 42.059 -0.006 0.000 1.216 54 L HN -0.028 nan 8.230 nan 0.000 0.493 55 R N 0.411 120.912 120.500 0.002 0.000 2.538 55 R HA 0.246 4.585 4.340 -0.002 0.000 0.282 55 R C 0.892 177.192 176.300 0.001 0.000 1.009 55 R CA 0.700 56.802 56.100 0.003 0.000 1.063 55 R CB -0.002 30.302 30.300 0.006 0.000 0.945 55 R HN 0.189 nan 8.270 nan 0.000 0.414 56 G N 2.544 111.344 108.800 -0.000 0.000 2.176 56 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.253 56 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.253 56 G C 0.000 174.892 174.900 -0.014 0.000 0.979 56 G CA 0.032 45.129 45.100 -0.004 0.000 0.641 56 G HN 0.562 nan 8.290 nan 0.000 0.530 57 I N 1.790 122.352 120.570 -0.014 0.000 2.297 57 I HA 0.630 4.799 4.170 -0.002 0.000 0.291 57 I C 0.869 176.972 176.117 -0.022 0.000 1.033 57 I CA -0.988 60.301 61.300 -0.018 0.000 1.253 57 I CB 0.552 38.543 38.000 -0.014 0.000 1.396 57 I HN 0.335 nan 8.210 nan 0.000 0.476 58 A N 7.227 130.026 122.820 -0.036 0.000 2.366 58 A HA 0.649 4.968 4.320 -0.002 0.000 0.272 58 A C -0.191 177.389 177.584 -0.006 0.000 1.135 58 A CA -0.322 51.690 52.037 -0.043 0.000 0.804 58 A CB 0.619 19.558 19.000 -0.102 0.000 1.064 58 A HN 0.478 nan 8.150 nan 0.000 0.499 59 V N 2.016 121.941 119.914 0.018 0.000 2.588 59 V HA 0.659 4.778 4.120 -0.002 0.000 0.304 59 V C 0.738 176.880 176.094 0.079 0.000 1.042 59 V CA -0.297 62.027 62.300 0.039 0.000 0.877 59 V CB 1.784 33.624 31.823 0.029 0.000 0.996 59 V HN 1.157 nan 8.190 nan 0.000 0.425 60 G N 4.396 113.239 108.800 0.071 0.000 2.377 60 G HA2 0.668 4.627 3.960 -0.002 0.000 0.299 60 G HA3 0.668 4.627 3.960 -0.002 0.000 0.299 60 G C -0.771 174.132 174.900 0.004 0.000 1.150 60 G CA -0.413 44.722 45.100 0.058 0.000 0.847 60 G HN 0.455 nan 8.290 nan 0.000 0.501 61 I N 1.568 122.145 120.570 0.012 0.000 2.418 61 I HA 0.273 4.442 4.170 -0.002 0.000 0.287 61 I C 0.427 176.533 176.117 -0.017 0.000 1.008 61 I CA -1.113 60.194 61.300 0.013 0.000 1.104 61 I CB 1.564 39.588 38.000 0.041 0.000 1.264 61 I HN 0.532 nan 8.210 nan 0.000 0.438 62 K N 3.975 124.365 120.400 -0.016 0.000 2.511 62 K HA -0.121 4.198 4.320 -0.002 0.000 0.280 62 K C 0.414 177.010 176.600 -0.007 0.000 1.008 62 K CA 0.246 56.517 56.287 -0.026 0.000 1.050 62 K CB 0.520 33.031 32.500 0.018 0.000 0.889 62 K HN 0.438 nan 8.250 nan 0.000 0.484 63 D N 4.281 124.668 120.400 -0.022 0.000 2.490 63 D HA -0.014 4.625 4.640 -0.002 0.000 0.255 63 D C 0.723 177.013 176.300 -0.016 0.000 1.248 63 D CA 0.349 54.344 54.000 -0.009 0.000 0.887 63 D CB -0.270 40.523 40.800 -0.011 0.000 0.978 63 D HN 0.576 nan 8.370 nan 0.000 0.491 64 I N -3.428 117.139 120.570 -0.005 0.000 4.154 64 I HA 0.308 4.477 4.170 -0.002 0.000 0.334 64 I C 0.052 176.186 176.117 0.029 0.000 1.371 64 I CA -0.296 60.999 61.300 -0.008 0.000 1.110 64 I CB 0.332 38.334 38.000 0.003 0.000 1.085 64 I HN -0.225 nan 8.210 nan 0.000 0.398 65 I N 2.824 123.417 120.570 0.037 0.000 2.321 65 I HA 0.280 4.449 4.170 -0.002 0.000 0.291 65 I C -0.494 175.654 176.117 0.051 0.000 0.998 65 I CA -0.565 60.764 61.300 0.048 0.000 1.227 65 I CB 0.827 38.855 38.000 0.047 0.000 1.368 65 I HN -0.009 nan 8.210 nan 0.000 0.466 66 D N 5.028 125.465 120.400 0.061 0.000 2.493 66 D HA 0.131 4.770 4.640 -0.002 0.000 0.240 66 D C 0.159 176.480 176.300 0.034 0.000 1.142 66 D CA 0.659 54.694 54.000 0.059 0.000 0.872 66 D CB 0.815 41.656 40.800 0.069 0.000 1.173 66 D HN 0.579 nan 8.370 nan 0.000 0.467 67 T N -1.887 112.677 114.554 0.017 0.000 2.893 67 T HA 0.642 4.991 4.350 -0.002 0.000 0.293 67 T C 0.578 175.262 174.700 -0.027 0.000 1.027 67 T CA -0.934 61.169 62.100 0.005 0.000 0.988 67 T CB 1.983 70.861 68.868 0.016 0.000 1.043 67 T HN 0.165 nan 8.240 nan 0.000 0.461 68 A N 1.974 124.778 122.820 -0.027 0.000 2.132 68 A HA 0.116 4.435 4.320 -0.002 0.000 0.213 68 A C 1.894 179.446 177.584 -0.054 0.000 1.154 68 A CA 0.567 52.574 52.037 -0.051 0.000 0.753 68 A CB -0.404 18.575 19.000 -0.036 0.000 0.826 68 A HN 0.877 nan 8.150 nan 0.000 0.469 69 N N -1.170 117.511 118.700 -0.032 0.000 2.254 69 N HA 0.186 4.925 4.740 -0.002 0.000 0.190 69 N C 0.072 175.568 175.510 -0.024 0.000 1.107 69 N CA 0.136 53.170 53.050 -0.027 0.000 0.869 69 N CB 0.148 38.629 38.487 -0.011 0.000 0.983 69 N HN 0.397 nan 8.380 nan 0.000 0.487 70 M N 0.174 119.762 119.600 -0.021 0.000 2.550 70 M HA 0.473 4.952 4.480 -0.002 0.000 0.292 70 M C -2.808 173.479 176.300 -0.023 0.000 1.221 70 M CA -1.984 53.312 55.300 -0.007 0.000 0.873 70 M CB 2.976 35.592 32.600 0.027 0.000 1.727 70 M HN -0.298 nan 8.290 nan 0.000 0.459 71 P HA 0.130 nan 4.420 nan 0.000 0.270 71 P C -0.940 176.379 177.300 0.031 0.000 1.223 71 P CA -0.093 62.999 63.100 -0.014 0.000 0.785 71 P CB 0.479 32.192 31.700 0.022 0.000 0.923 72 T N 1.357 115.955 114.554 0.074 0.000 3.009 72 T HA 0.179 4.528 4.350 -0.002 0.000 0.346 72 T C 0.328 175.159 174.700 0.217 0.000 1.092 72 T CA -0.298 61.876 62.100 0.124 0.000 1.080 72 T CB 0.174 69.125 68.868 0.138 0.000 1.037 72 T HN 0.341 nan 8.240 nan 0.000 0.487 73 E N 3.040 123.318 120.200 0.130 0.000 2.479 73 E HA 0.074 4.423 4.350 -0.002 0.000 0.193 73 E C 0.721 177.310 176.600 -0.019 0.000 1.049 73 E CA -0.175 56.307 56.400 0.136 0.000 0.870 73 E CB 0.037 29.800 29.700 0.105 0.000 0.944 73 E HN 0.485 nan 8.360 nan 0.000 0.492 74 M N -0.983 118.540 119.600 -0.128 0.000 2.797 74 M HA -0.241 4.238 4.480 -0.002 0.000 0.171 74 M C 1.085 177.154 176.300 -0.385 0.000 0.647 74 M CA 1.362 56.468 55.300 -0.322 0.000 0.598 74 M CB -2.900 29.329 32.600 -0.619 0.000 2.180 74 M HN 0.452 nan 8.290 nan 0.000 0.429 75 G N 0.325 108.996 108.800 -0.215 0.000 2.203 75 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.263 75 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.263 75 G C 0.083 174.837 174.900 -0.244 0.000 1.012 75 G CA 1.036 46.024 45.100 -0.188 0.000 0.749 75 G HN 1.129 nan 8.290 nan 0.000 0.512 76 S N -0.890 114.647 115.700 -0.272 0.000 2.536 76 S HA 0.558 5.027 4.470 -0.002 0.000 0.287 76 S C 1.283 175.870 174.600 -0.022 0.000 1.101 76 S CA 0.428 58.498 58.200 -0.216 0.000 0.950 76 S CB 1.247 64.132 63.200 -0.524 0.000 1.056 76 S HN 0.554 nan 8.310 nan 0.000 0.481 77 E N 3.770 123.976 120.200 0.011 0.000 2.209 77 E HA -0.144 4.205 4.350 -0.002 0.000 0.196 77 E C 1.381 178.006 176.600 0.041 0.000 0.993 77 E CA 1.225 57.644 56.400 0.032 0.000 0.819 77 E CB -0.422 29.293 29.700 0.026 0.000 0.745 77 E HN 0.781 nan 8.360 nan 0.000 0.477 78 I N -0.026 120.586 120.570 0.070 0.000 2.361 78 I HA -0.242 3.927 4.170 -0.002 0.000 0.251 78 I C 1.079 177.114 176.117 -0.137 0.000 1.133 78 I CA 1.158 62.446 61.300 -0.021 0.000 1.413 78 I CB -0.116 37.961 38.000 0.127 0.000 1.073 78 I HN 0.105 nan 8.210 nan 0.000 0.424 79 Y N 0.202 120.519 120.300 0.028 0.000 2.708 79 Y HA 0.274 4.823 4.550 -0.002 0.000 0.287 79 Y C 0.797 176.771 175.900 0.123 0.000 1.145 79 Y CA -0.850 57.290 58.100 0.067 0.000 1.249 79 Y CB -0.148 38.333 38.460 0.035 0.000 1.152 79 Y HN -0.055 nan 8.280 nan 0.000 0.532 80 R N 0.848 121.442 120.500 0.157 0.000 2.502 80 R HA 0.282 4.621 4.340 -0.002 0.000 0.292 80 R C 1.310 177.702 176.300 0.153 0.000 0.998 80 R CA 1.164 57.340 56.100 0.126 0.000 1.056 80 R CB -0.279 30.064 30.300 0.071 0.000 0.939 80 R HN 0.578 nan 8.270 nan 0.000 0.411 81 G N 3.639 112.526 108.800 0.146 0.000 2.184 81 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.264 81 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.264 81 G C 0.009 175.013 174.900 0.174 0.000 0.975 81 G CA 0.214 45.388 45.100 0.124 0.000 0.642 81 G HN 0.715 nan 8.290 nan 0.000 0.536 82 W N 1.256 122.603 121.300 0.078 0.000 2.308 82 W HA 0.561 5.220 4.660 -0.002 0.000 0.324 82 W C -0.005 176.560 176.519 0.076 0.000 1.387 82 W CA 0.023 57.428 57.345 0.101 0.000 1.250 82 W CB 0.808 30.411 29.460 0.239 0.000 1.257 82 W HN 0.193 nan 8.180 nan 0.000 0.554 83 Q N 8.279 127.508 119.800 -0.951 0.000 2.401 83 Q HA 0.388 4.727 4.340 -0.002 0.000 0.260 83 Q C -2.469 172.904 176.000 -1.045 0.000 1.034 83 Q CA -2.152 53.185 55.803 -0.776 0.000 0.737 83 Q CB 1.403 29.895 28.738 -0.411 0.000 1.227 83 Q HN 0.147 nan 8.270 nan 0.000 0.488 84 P HA 0.119 nan 4.420 nan 0.000 0.269 84 P C -0.149 177.004 177.300 -0.246 0.000 1.215 84 P CA -0.215 62.665 63.100 -0.367 0.000 0.780 84 P CB 0.928 32.583 31.700 -0.074 0.000 0.898 85 R N 1.521 121.941 120.500 -0.134 0.000 2.093 85 R HA 0.024 4.363 4.340 -0.002 0.000 0.224 85 R C 0.400 176.669 176.300 -0.051 0.000 1.101 85 R CA 1.304 57.351 56.100 -0.089 0.000 0.979 85 R CB -0.410 29.864 30.300 -0.042 0.000 0.877 85 R HN 0.605 nan 8.270 nan 0.000 0.441 86 S N -0.654 115.031 115.700 -0.024 0.000 2.600 86 S HA 0.456 4.925 4.470 -0.002 0.000 0.300 86 S C -1.016 173.584 174.600 -0.001 0.000 1.087 86 S CA -1.144 57.051 58.200 -0.008 0.000 0.965 86 S CB 1.907 65.111 63.200 0.007 0.000 1.089 86 S HN 0.057 nan 8.310 nan 0.000 0.496 87 D N 1.456 121.858 120.400 0.002 0.000 2.304 87 D HA 0.485 5.124 4.640 -0.002 0.000 0.250 87 D C 0.463 176.774 176.300 0.019 0.000 1.107 87 D CA 0.116 54.122 54.000 0.010 0.000 0.885 87 D CB 1.520 42.325 40.800 0.009 0.000 1.192 87 D HN 0.831 nan 8.370 nan 0.000 0.436 88 A N 3.938 126.773 122.820 0.026 0.000 2.466 88 A HA 0.198 4.517 4.320 -0.002 0.000 0.238 88 A C -1.339 176.259 177.584 0.023 0.000 1.074 88 A CA -0.786 51.269 52.037 0.030 0.000 0.774 88 A CB 0.111 19.134 19.000 0.037 0.000 1.015 88 A HN 0.337 nan 8.150 nan 0.000 0.498 89 P HA -0.201 nan 4.420 nan 0.000 0.216 89 P C 1.602 178.911 177.300 0.014 0.000 1.154 89 P CA 2.253 65.362 63.100 0.016 0.000 0.865 89 P CB -0.280 31.428 31.700 0.014 0.000 0.789 90 V N -3.495 116.428 119.914 0.016 0.000 2.490 90 V HA -0.176 3.943 4.120 -0.002 0.000 0.250 90 V C 2.059 178.160 176.094 0.013 0.000 1.061 90 V CA 1.802 64.109 62.300 0.012 0.000 1.064 90 V CB -1.752 30.080 31.823 0.015 0.000 0.670 90 V HN -0.046 nan 8.190 nan 0.000 0.461 91 V N -0.273 119.652 119.914 0.018 0.000 2.379 91 V HA -0.161 3.958 4.120 -0.002 0.000 0.245 91 V C 2.741 178.844 176.094 0.014 0.000 1.044 91 V CA 2.235 64.547 62.300 0.019 0.000 1.036 91 V CB -0.559 31.278 31.823 0.023 0.000 0.664 91 V HN 0.401 nan 8.190 nan 0.000 0.453 92 M N -1.085 118.523 119.600 0.013 0.000 2.229 92 M HA -0.114 4.365 4.480 -0.002 0.000 0.264 92 M C 2.157 178.462 176.300 0.008 0.000 1.063 92 M CA 1.724 57.030 55.300 0.010 0.000 1.114 92 M CB -0.980 31.626 32.600 0.010 0.000 1.387 92 M HN 0.329 nan 8.290 nan 0.000 0.420 93 M N -0.446 119.158 119.600 0.007 0.000 2.117 93 M HA -0.217 4.262 4.480 -0.002 0.000 0.262 93 M C 2.121 178.422 176.300 0.001 0.000 1.065 93 M CA 1.465 56.767 55.300 0.004 0.000 1.114 93 M CB -0.500 32.099 32.600 -0.001 0.000 1.361 93 M HN 0.203 nan 8.290 nan 0.000 0.408 94 L N -0.181 121.043 121.223 0.002 0.000 2.027 94 L HA -0.202 4.137 4.340 -0.002 0.000 0.206 94 L C 2.503 179.376 176.870 0.005 0.000 1.074 94 L CA 1.314 56.155 54.840 0.001 0.000 0.745 94 L CB -0.613 41.449 42.059 0.005 0.000 0.898 94 L HN 0.245 nan 8.230 nan 0.000 0.433 95 K N 0.041 120.446 120.400 0.008 0.000 2.057 95 K HA -0.154 4.165 4.320 -0.002 0.000 0.207 95 K C 2.204 178.809 176.600 0.008 0.000 1.049 95 K CA 1.213 57.505 56.287 0.009 0.000 0.931 95 K CB -0.209 32.298 32.500 0.010 0.000 0.714 95 K HN 0.268 nan 8.250 nan 0.000 0.440 96 R N 0.458 120.962 120.500 0.007 0.000 2.152 96 R HA -0.053 4.286 4.340 -0.002 0.000 0.232 96 R C 2.002 178.306 176.300 0.007 0.000 1.117 96 R CA 1.016 57.120 56.100 0.007 0.000 0.981 96 R CB -0.164 30.141 30.300 0.008 0.000 0.870 96 R HN 0.165 nan 8.270 nan 0.000 0.451 97 A N -0.217 122.607 122.820 0.006 0.000 2.238 97 A HA 0.231 4.550 4.320 -0.002 0.000 0.208 97 A C 1.371 178.958 177.584 0.005 0.000 1.177 97 A CA 0.776 52.816 52.037 0.005 0.000 0.804 97 A CB 0.091 19.092 19.000 0.001 0.000 0.823 97 A HN 0.431 nan 8.150 nan 0.000 0.482 98 G N -2.151 106.653 108.800 0.006 0.000 2.176 98 G HA2 0.119 4.078 3.960 -0.002 0.000 0.232 98 G HA3 0.119 4.078 3.960 -0.002 0.000 0.232 98 G C 0.484 175.387 174.900 0.005 0.000 0.986 98 G CA 0.219 45.322 45.100 0.006 0.000 0.643 98 G HN 1.488 nan 8.290 nan 0.000 0.522 99 A N -0.231 122.591 122.820 0.004 0.000 2.346 99 A HA 0.709 5.028 4.320 -0.002 0.000 0.252 99 A C 0.593 178.182 177.584 0.008 0.000 1.089 99 A CA 1.141 53.179 52.037 0.003 0.000 0.797 99 A CB 0.465 19.467 19.000 0.002 0.000 1.047 99 A HN 0.767 nan 8.150 nan 0.000 0.494 100 T N 2.299 116.856 114.554 0.005 0.000 2.770 100 T HA 0.402 4.751 4.350 -0.002 0.000 0.283 100 T C -0.125 174.586 174.700 0.019 0.000 0.988 100 T CA -0.209 61.898 62.100 0.011 0.000 0.957 100 T CB 0.441 69.309 68.868 0.000 0.000 0.930 100 T HN 0.366 nan 8.240 nan 0.000 0.443 101 I N 4.705 125.295 120.570 0.034 0.000 2.329 101 I HA 0.201 4.370 4.170 -0.002 0.000 0.295 101 I C 1.269 177.429 176.117 0.072 0.000 1.109 101 I CA -0.100 61.231 61.300 0.051 0.000 1.297 101 I CB -0.068 37.962 38.000 0.049 0.000 1.433 101 I HN 0.749 nan 8.210 nan 0.000 0.509 102 I N 4.504 125.122 120.570 0.079 0.000 3.251 102 I HA 0.161 4.330 4.170 -0.002 0.000 0.277 102 I C 0.915 177.139 176.117 0.178 0.000 1.268 102 I CA 0.411 61.765 61.300 0.090 0.000 1.449 102 I CB 0.416 38.393 38.000 -0.038 0.000 1.083 102 I HN 0.717 nan 8.210 nan 0.000 0.464 103 G N 0.259 109.206 108.800 0.245 0.000 2.316 103 G HA2 0.166 4.125 3.960 -0.002 0.000 0.296 103 G HA3 0.166 4.125 3.960 -0.002 0.000 0.296 103 G C -1.811 173.292 174.900 0.339 0.000 1.399 103 G CA -0.840 44.463 45.100 0.337 0.000 0.833 103 G HN -0.188 nan 8.290 nan 0.000 0.565 104 K N 1.351 121.933 120.400 0.302 0.000 2.213 104 K HA 0.625 4.944 4.320 -0.002 0.000 0.270 104 K C 0.391 177.023 176.600 0.055 0.000 1.002 104 K CA -0.476 55.894 56.287 0.139 0.000 0.868 104 K CB 1.409 33.968 32.500 0.099 0.000 1.093 104 K HN 0.866 nan 8.250 nan 0.000 0.454 105 T N -1.581 112.882 114.554 -0.151 0.000 2.922 105 T HA 0.261 4.610 4.350 -0.002 0.000 0.285 105 T C 0.551 175.147 174.700 -0.174 0.000 1.005 105 T CA -0.792 61.099 62.100 -0.348 0.000 1.061 105 T CB 0.690 69.268 68.868 -0.484 0.000 1.007 105 T HN 0.559 nan 8.240 nan 0.000 0.502 106 T N -0.227 114.229 114.554 -0.164 0.000 2.932 106 T HA 0.390 4.739 4.350 -0.002 0.000 0.312 106 T C 0.163 174.812 174.700 -0.085 0.000 1.071 106 T CA -0.504 61.543 62.100 -0.088 0.000 1.128 106 T CB 0.558 69.391 68.868 -0.058 0.000 0.984 106 T HN 0.939 nan 8.240 nan 0.000 0.549 107 T N 1.534 116.050 114.554 -0.062 0.000 2.912 107 T HA 0.569 4.918 4.350 -0.002 0.000 0.299 107 T C 0.147 174.814 174.700 -0.055 0.000 1.052 107 T CA -0.432 61.638 62.100 -0.051 0.000 0.996 107 T CB 1.318 70.154 68.868 -0.052 0.000 1.070 107 T HN 1.118 nan 8.240 nan 0.000 0.465 108 T N 1.976 116.510 114.554 -0.033 0.000 2.856 108 T HA 0.534 4.883 4.350 -0.002 0.000 0.306 108 T C 0.810 175.458 174.700 -0.086 0.000 1.062 108 T CA -0.352 61.728 62.100 -0.033 0.000 1.083 108 T CB 0.197 69.068 68.868 0.005 0.000 0.984 108 T HN 1.005 nan 8.240 nan 0.000 0.542 109 A N 1.895 124.654 122.820 -0.102 0.000 2.561 109 A HA 0.378 4.697 4.320 -0.002 0.000 0.251 109 A C 0.574 178.069 177.584 -0.147 0.000 1.062 109 A CA -0.412 51.495 52.037 -0.217 0.000 0.761 109 A CB -1.492 17.449 19.000 -0.098 0.000 0.986 109 A HN 1.071 nan 8.150 nan 0.000 0.510 110 F N 0.396 120.282 119.950 -0.106 0.000 3.100 110 F HA -0.276 4.250 4.527 -0.001 0.000 0.284 110 F C 1.396 177.048 175.800 -0.247 0.000 0.875 110 F CA 1.344 59.237 58.000 -0.178 0.000 1.039 110 F CB -1.996 36.879 39.000 -0.208 0.000 1.111 110 F HN 1.816 nan 8.300 nan 0.000 0.575 111 A N -1.075 121.712 122.820 -0.056 0.000 2.822 111 A HA -0.139 4.180 4.320 -0.002 0.000 0.287 111 A C 1.001 178.580 177.584 -0.008 0.000 1.479 111 A CA 1.293 53.328 52.037 -0.004 0.000 0.779 111 A CB -1.654 17.393 19.000 0.080 0.000 1.022 111 A HN 0.891 nan 8.150 nan 0.000 0.532 112 S N -1.638 114.028 115.700 -0.055 0.000 3.124 112 S HA 0.600 5.069 4.470 -0.002 0.000 0.234 112 S C 1.517 176.158 174.600 0.068 0.000 1.045 112 S CA 0.118 58.319 58.200 0.003 0.000 1.200 112 S CB 0.529 63.662 63.200 -0.111 0.000 1.186 112 S HN 0.530 nan 8.310 nan 0.000 0.617 113 R N 0.711 121.254 120.500 0.071 0.000 2.153 113 R HA 0.126 4.465 4.340 -0.002 0.000 0.218 113 R C -0.280 176.054 176.300 0.056 0.000 1.072 113 R CA 0.598 56.742 56.100 0.073 0.000 0.990 113 R CB -0.364 29.980 30.300 0.073 0.000 0.889 113 R HN 0.565 nan 8.270 nan 0.000 0.452 114 D N 3.092 123.516 120.400 0.040 0.000 2.389 114 D HA 0.054 4.693 4.640 -0.002 0.000 0.263 114 D C -2.247 174.068 176.300 0.026 0.000 1.255 114 D CA -0.743 53.275 54.000 0.030 0.000 0.914 114 D CB 0.846 41.660 40.800 0.023 0.000 1.116 114 D HN -0.026 nan 8.370 nan 0.000 0.502 115 P HA -0.053 nan 4.420 nan 0.000 0.266 115 P C 0.397 177.707 177.300 0.018 0.000 1.193 115 P CA 0.087 63.206 63.100 0.032 0.000 0.770 115 P CB 0.598 32.319 31.700 0.034 0.000 0.836 116 T N -0.980 113.585 114.554 0.018 0.000 2.852 116 T HA 0.527 4.876 4.350 -0.002 0.000 0.281 116 T C 1.045 175.756 174.700 0.019 0.000 0.993 116 T CA -0.187 61.917 62.100 0.007 0.000 0.933 116 T CB 0.637 69.506 68.868 0.002 0.000 1.187 116 T HN 0.240 nan 8.240 nan 0.000 0.559 117 A N -0.117 122.713 122.820 0.018 0.000 2.275 117 A HA 0.342 4.661 4.320 -0.002 0.000 0.212 117 A C 1.198 178.846 177.584 0.105 0.000 1.201 117 A CA -0.268 51.787 52.037 0.030 0.000 0.843 117 A CB -0.869 18.112 19.000 -0.032 0.000 0.873 117 A HN 0.812 nan 8.150 nan 0.000 0.492 118 T N 1.176 115.783 114.554 0.088 0.000 2.932 118 T HA 0.410 4.759 4.350 -0.002 0.000 0.312 118 T C -0.079 174.669 174.700 0.081 0.000 1.071 118 T CA 0.627 62.785 62.100 0.096 0.000 1.128 118 T CB 0.402 69.286 68.868 0.027 0.000 0.984 118 T HN 0.251 nan 8.240 nan 0.000 0.549 119 L N 2.606 123.862 121.223 0.055 0.000 2.333 119 L HA 0.466 4.805 4.340 -0.002 0.000 0.269 119 L C 0.612 177.491 176.870 0.016 0.000 1.010 119 L CA -1.229 53.633 54.840 0.037 0.000 0.818 119 L CB 1.284 43.355 42.059 0.021 0.000 1.306 119 L HN 0.521 nan 8.230 nan 0.000 0.430 120 N N 2.306 121.035 118.700 0.048 0.000 2.468 120 N HA 0.067 4.806 4.740 -0.002 0.000 0.265 120 N C -1.937 173.576 175.510 0.005 0.000 1.199 120 N CA -1.170 51.915 53.050 0.059 0.000 0.928 120 N CB 1.676 40.230 38.487 0.110 0.000 1.059 120 N HN 0.304 nan 8.380 nan 0.000 0.467 121 P HA -0.120 nan 4.420 nan 0.000 0.218 121 P C 0.676 177.823 177.300 -0.255 0.000 1.148 121 P CA 1.339 64.320 63.100 -0.199 0.000 0.822 121 P CB 0.108 31.625 31.700 -0.304 0.000 0.784 122 H N -2.748 116.314 119.070 -0.014 0.000 2.535 122 H HA 0.143 4.698 4.556 -0.002 0.000 0.273 122 H C 0.525 175.837 175.328 -0.027 0.000 0.983 122 H CA 0.866 56.900 56.048 -0.024 0.000 1.238 122 H CB 0.097 29.838 29.762 -0.035 0.000 1.412 122 H HN 0.152 nan 8.280 nan 0.000 0.562 123 N N 0.403 119.151 118.700 0.080 0.000 3.193 123 N HA -0.074 4.665 4.740 -0.002 0.000 0.234 123 N C 0.470 176.045 175.510 0.108 0.000 1.267 123 N CA 0.230 53.328 53.050 0.081 0.000 0.875 123 N CB 0.699 39.224 38.487 0.064 0.000 1.592 123 N HN 0.085 nan 8.380 nan 0.000 0.648 124 T N -1.030 113.560 114.554 0.059 0.000 3.139 124 T HA -0.001 4.348 4.350 -0.002 0.000 0.267 124 T C 1.524 176.259 174.700 0.057 0.000 1.164 124 T CA 1.211 63.336 62.100 0.042 0.000 1.075 124 T CB -0.178 68.692 68.868 0.004 0.000 0.904 124 T HN 0.425 nan 8.240 nan 0.000 0.540 125 G N -0.374 108.482 108.800 0.094 0.000 2.985 125 G HA2 0.158 4.117 3.960 -0.002 0.000 0.209 125 G HA3 0.158 4.117 3.960 -0.002 0.000 0.209 125 G C 0.362 175.183 174.900 -0.132 0.000 1.165 125 G CA -0.324 44.781 45.100 0.008 0.000 0.776 125 G HN 0.580 nan 8.290 nan 0.000 0.541 126 H N -0.520 118.542 119.070 -0.014 0.000 2.771 126 H HA 0.408 4.963 4.556 -0.002 0.000 0.367 126 H C -0.516 174.799 175.328 -0.023 0.000 1.172 126 H CA -0.616 55.412 56.048 -0.034 0.000 1.186 126 H CB 1.974 31.699 29.762 -0.062 0.000 1.790 126 H HN 0.099 nan 8.280 nan 0.000 0.556 127 S N 1.739 117.483 115.700 0.072 0.000 2.576 127 S HA 0.067 4.536 4.470 -0.002 0.000 0.276 127 S C -1.640 173.025 174.600 0.108 0.000 1.339 127 S CA -1.130 57.112 58.200 0.069 0.000 1.039 127 S CB 0.596 63.835 63.200 0.065 0.000 0.902 127 S HN 0.528 nan 8.310 nan 0.000 0.516 128 P HA 0.270 nan 4.420 nan 0.000 0.261 128 P C 0.709 178.178 177.300 0.282 0.000 1.268 128 P CA 0.489 63.688 63.100 0.165 0.000 0.833 128 P CB -0.485 31.258 31.700 0.072 0.000 1.231 129 G N -0.828 108.196 108.800 0.375 0.000 2.728 129 G HA2 0.230 4.189 3.960 -0.002 0.000 0.294 129 G HA3 0.230 4.189 3.960 -0.002 0.000 0.294 129 G C -0.440 174.569 174.900 0.182 0.000 1.342 129 G CA -0.658 44.693 45.100 0.417 0.000 0.866 129 G HN 0.563 nan 8.290 nan 0.000 0.534 130 G N -2.805 106.072 108.800 0.129 0.000 2.608 130 G HA2 0.808 4.767 3.960 -0.002 0.000 0.291 130 G HA3 0.808 4.767 3.960 -0.002 0.000 0.291 130 G C 0.491 175.453 174.900 0.102 0.000 1.425 130 G CA 0.991 46.149 45.100 0.097 0.000 0.787 130 G HN 2.060 nan 8.290 nan 0.000 0.484 131 A N -0.446 122.442 122.820 0.112 0.000 2.132 131 A HA 0.358 4.677 4.320 -0.002 0.000 0.213 131 A C 1.610 179.228 177.584 0.057 0.000 1.154 131 A CA 1.326 53.414 52.037 0.087 0.000 0.753 131 A CB -0.085 18.976 19.000 0.101 0.000 0.826 131 A HN 0.784 nan 8.150 nan 0.000 0.469 132 S N 1.415 117.164 115.700 0.081 0.000 3.544 132 S HA 0.128 4.597 4.470 -0.002 0.000 0.227 132 S C 1.270 175.805 174.600 -0.108 0.000 1.387 132 S CA 0.255 58.468 58.200 0.021 0.000 1.182 132 S CB -0.223 63.080 63.200 0.172 0.000 1.243 132 S HN 0.554 nan 8.310 nan 0.000 0.467 133 S N 2.412 118.071 115.700 -0.067 0.000 2.359 133 S HA -0.155 4.314 4.470 -0.002 0.000 0.222 133 S C 2.347 176.842 174.600 -0.175 0.000 1.038 133 S CA 1.567 59.719 58.200 -0.080 0.000 1.051 133 S CB -0.789 62.396 63.200 -0.025 0.000 0.944 133 S HN 0.741 nan 8.310 nan 0.000 0.433 134 G N 0.867 109.545 108.800 -0.204 0.000 2.422 134 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.218 134 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.218 134 G C 1.571 176.212 174.900 -0.433 0.000 1.146 134 G CA 1.111 46.033 45.100 -0.296 0.000 0.769 134 G HN 0.513 nan 8.290 nan 0.000 0.547 135 S N 0.867 116.274 115.700 -0.488 0.000 2.368 135 S HA 0.006 4.475 4.470 -0.002 0.000 0.225 135 S C 2.779 176.869 174.600 -0.849 0.000 1.030 135 S CA 1.200 59.017 58.200 -0.640 0.000 0.999 135 S CB -0.312 62.497 63.200 -0.651 0.000 0.844 135 S HN 0.580 nan 8.310 nan 0.000 0.459 136 A N 1.520 123.754 122.820 -0.977 0.000 1.873 136 A HA 0.195 4.514 4.320 -0.002 0.000 0.215 136 A C 2.360 179.784 177.584 -0.267 0.000 1.186 136 A CA 1.597 53.239 52.037 -0.657 0.000 0.616 136 A CB -1.133 17.663 19.000 -0.341 0.000 0.823 136 A HN 0.498 nan 8.150 nan 0.000 0.442 137 A N 0.001 122.687 122.820 -0.224 0.000 1.877 137 A HA 0.127 4.446 4.320 -0.002 0.000 0.216 137 A C 2.524 180.023 177.584 -0.143 0.000 1.186 137 A CA 2.264 54.220 52.037 -0.135 0.000 0.620 137 A CB -1.101 17.831 19.000 -0.113 0.000 0.822 137 A HN 1.067 nan 8.150 nan 0.000 0.443 138 A N -0.639 122.059 122.820 -0.204 0.000 1.877 138 A HA -0.027 4.292 4.320 -0.002 0.000 0.216 138 A C 2.252 179.787 177.584 -0.082 0.000 1.186 138 A CA 1.926 53.880 52.037 -0.137 0.000 0.620 138 A CB -0.982 17.862 19.000 -0.260 0.000 0.822 138 A HN 0.418 nan 8.150 nan 0.000 0.443 139 V N -0.138 119.713 119.914 -0.105 0.000 2.358 139 V HA -0.149 3.970 4.120 -0.002 0.000 0.246 139 V C 2.812 178.893 176.094 -0.021 0.000 1.047 139 V CA 1.890 64.167 62.300 -0.037 0.000 1.035 139 V CB -1.433 30.393 31.823 0.006 0.000 0.658 139 V HN 0.617 nan 8.190 nan 0.000 0.452 140 G N -0.386 108.397 108.800 -0.028 0.000 2.432 140 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.219 140 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.219 140 G C 1.452 176.294 174.900 -0.097 0.000 1.135 140 G CA 0.868 45.961 45.100 -0.011 0.000 0.767 140 G HN 0.634 nan 8.290 nan 0.000 0.550 141 A N -0.269 122.491 122.820 -0.101 0.000 2.251 141 A HA 0.487 4.806 4.320 -0.002 0.000 0.209 141 A C 1.914 179.458 177.584 -0.068 0.000 1.187 141 A CA 1.139 53.109 52.037 -0.111 0.000 0.823 141 A CB -0.466 18.478 19.000 -0.093 0.000 0.846 141 A HN 1.546 nan 8.150 nan 0.000 0.486 142 G N -0.849 107.923 108.800 -0.046 0.000 2.176 142 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.252 142 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.252 142 G C 0.731 175.617 174.900 -0.023 0.000 1.024 142 G CA 0.743 45.825 45.100 -0.029 0.000 0.755 142 G HN 0.418 nan 8.290 nan 0.000 0.507 143 M N -0.616 118.977 119.600 -0.012 0.000 2.287 143 M HA 0.308 4.787 4.480 -0.002 0.000 0.266 143 M C 1.464 177.762 176.300 -0.004 0.000 1.079 143 M CA 1.475 56.775 55.300 -0.001 0.000 1.146 143 M CB 0.072 32.711 32.600 0.065 0.000 1.374 143 M HN 0.582 nan 8.290 nan 0.000 0.435 144 I N -3.624 116.952 120.570 0.011 0.000 2.894 144 I HA 0.385 4.554 4.170 -0.002 0.000 0.302 144 I C -2.435 173.681 176.117 -0.001 0.000 1.188 144 I CA -2.145 59.159 61.300 0.007 0.000 1.014 144 I CB 2.053 40.083 38.000 0.050 0.000 1.242 144 I HN -0.223 nan 8.210 nan 0.000 0.430 145 P HA 0.134 nan 4.420 nan 0.000 0.231 145 P C -0.146 177.154 177.300 -0.000 0.000 1.168 145 P CA 0.619 63.713 63.100 -0.010 0.000 0.779 145 P CB 0.801 32.490 31.700 -0.019 0.000 0.844 146 L N -1.074 120.156 121.223 0.012 0.000 2.518 146 L HA 0.758 5.097 4.340 -0.002 0.000 0.257 146 L C -2.020 174.877 176.870 0.045 0.000 0.980 146 L CA -0.914 53.944 54.840 0.029 0.000 0.837 146 L CB 2.174 44.238 42.059 0.008 0.000 1.410 146 L HN -0.087 nan 8.230 nan 0.000 0.410 147 A N 3.466 126.341 122.820 0.092 0.000 2.566 147 A HA 0.737 5.056 4.320 -0.002 0.000 0.297 147 A C -2.045 175.657 177.584 0.196 0.000 1.059 147 A CA -0.522 51.569 52.037 0.090 0.000 0.691 147 A CB 1.252 20.244 19.000 -0.012 0.000 1.282 147 A HN 0.647 nan 8.150 nan 0.000 0.401 148 L N 1.550 122.853 121.223 0.133 0.000 2.334 148 L HA 0.792 5.131 4.340 -0.002 0.000 0.275 148 L C 0.821 177.817 176.870 0.209 0.000 1.036 148 L CA -0.316 54.616 54.840 0.154 0.000 0.807 148 L CB 1.873 43.979 42.059 0.078 0.000 1.231 148 L HN 0.982 nan 8.230 nan 0.000 0.438 149 G N 0.408 109.370 108.800 0.271 0.000 2.827 149 G HA2 0.735 4.694 3.960 -0.002 0.000 0.296 149 G HA3 0.735 4.694 3.960 -0.002 0.000 0.296 149 G C -1.138 173.873 174.900 0.185 0.000 1.362 149 G CA -0.187 45.093 45.100 0.300 0.000 0.809 149 G HN 0.566 nan 8.290 nan 0.000 0.522 150 T N -2.908 111.754 114.554 0.179 0.000 2.864 150 T HA 0.722 5.071 4.350 -0.002 0.000 0.299 150 T C -1.087 173.709 174.700 0.159 0.000 1.166 150 T CA -0.663 61.525 62.100 0.146 0.000 1.007 150 T CB 2.232 71.187 68.868 0.145 0.000 1.219 150 T HN 0.784 nan 8.240 nan 0.000 0.506 151 Q N -0.025 119.868 119.800 0.155 0.000 2.271 151 Q HA 0.564 4.903 4.340 -0.002 0.000 0.268 151 Q C -0.674 175.426 176.000 0.167 0.000 1.021 151 Q CA -0.661 55.236 55.803 0.157 0.000 0.802 151 Q CB 2.128 30.945 28.738 0.131 0.000 1.282 151 Q HN 0.838 nan 8.270 nan 0.000 0.431 152 T N 1.481 116.129 114.554 0.156 0.000 3.056 152 T HA 0.249 4.598 4.350 -0.002 0.000 0.243 152 T C 0.700 175.484 174.700 0.140 0.000 0.995 152 T CA 0.767 62.925 62.100 0.096 0.000 1.091 152 T CB 0.497 69.357 68.868 -0.013 0.000 0.990 152 T HN 0.671 nan 8.240 nan 0.000 0.464 153 G N 0.510 109.383 108.800 0.122 0.000 2.710 153 G HA2 0.474 4.433 3.960 -0.002 0.000 0.215 153 G HA3 0.474 4.433 3.960 -0.002 0.000 0.215 153 G C 0.903 175.832 174.900 0.048 0.000 1.345 153 G CA 0.524 45.651 45.100 0.045 0.000 0.812 153 G HN 0.499 nan 8.290 nan 0.000 0.606 154 G N 0.012 108.861 108.800 0.081 0.000 4.908 154 G HA2 0.331 4.290 3.960 -0.002 0.000 0.267 154 G HA3 0.331 4.290 3.960 -0.002 0.000 0.267 154 G C 0.762 175.719 174.900 0.094 0.000 0.958 154 G CA 0.726 45.881 45.100 0.092 0.000 0.743 154 G HN 0.245 nan 8.290 nan 0.000 0.410 155 S N -0.023 115.751 115.700 0.123 0.000 2.584 155 S HA -0.020 4.449 4.470 -0.002 0.000 0.240 155 S C 1.981 176.699 174.600 0.196 0.000 0.975 155 S CA 0.805 59.093 58.200 0.148 0.000 0.949 155 S CB 0.251 63.551 63.200 0.167 0.000 0.761 155 S HN 0.273 nan 8.310 nan 0.000 0.536 156 V N 0.517 120.513 119.914 0.136 0.000 2.840 156 V HA 0.099 4.218 4.120 -0.002 0.000 0.234 156 V C 1.944 178.036 176.094 -0.002 0.000 1.159 156 V CA 0.279 62.616 62.300 0.062 0.000 1.194 156 V CB -0.216 31.536 31.823 -0.119 0.000 0.971 156 V HN 0.328 nan 8.190 nan 0.000 0.494 157 I N 0.691 121.256 120.570 -0.008 0.000 2.179 157 I HA -0.192 3.977 4.170 -0.002 0.000 0.242 157 I C 2.551 178.663 176.117 -0.009 0.000 1.088 157 I CA 1.765 63.059 61.300 -0.010 0.000 1.357 157 I CB -1.132 36.885 38.000 0.027 0.000 1.051 157 I HN 0.312 nan 8.210 nan 0.000 0.409 158 R N 1.228 121.705 120.500 -0.038 0.000 2.070 158 R HA -0.121 4.218 4.340 -0.002 0.000 0.233 158 R C -0.434 175.664 176.300 -0.338 0.000 1.137 158 R CA 1.849 57.809 56.100 -0.234 0.000 0.945 158 R CB -1.059 29.088 30.300 -0.255 0.000 0.845 158 R HN 0.246 nan 8.270 nan 0.000 0.430 159 P HA -0.076 nan 4.420 nan 0.000 0.221 159 P C 0.754 178.159 177.300 0.176 0.000 1.150 159 P CA 1.665 64.795 63.100 0.050 0.000 0.800 159 P CB 0.035 31.808 31.700 0.122 0.000 0.787 160 A N 0.909 123.890 122.820 0.269 0.000 1.873 160 A HA -0.033 4.286 4.320 -0.002 0.000 0.215 160 A C 2.532 180.207 177.584 0.153 0.000 1.186 160 A CA 2.101 54.312 52.037 0.290 0.000 0.616 160 A CB -1.550 17.564 19.000 0.191 0.000 0.823 160 A HN 0.217 nan 8.150 nan 0.000 0.442 161 A N -1.071 121.794 122.820 0.075 0.000 1.865 161 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 161 A C 2.157 179.850 177.584 0.181 0.000 1.191 161 A CA 1.560 53.642 52.037 0.074 0.000 0.623 161 A CB -1.042 17.968 19.000 0.017 0.000 0.826 161 A HN 0.681 nan 8.150 nan 0.000 0.444 162 Y N -1.086 119.255 120.300 0.069 0.000 2.207 162 Y HA -0.285 4.264 4.550 -0.001 0.000 0.287 162 Y C 2.440 178.379 175.900 0.065 0.000 1.156 162 Y CA 0.777 58.910 58.100 0.054 0.000 1.182 162 Y CB -0.257 38.249 38.460 0.077 0.000 0.979 162 Y HN 0.379 nan 8.280 nan 0.000 0.521 163 C N -0.300 119.164 119.300 0.274 0.000 2.697 163 C HA 0.294 4.753 4.460 -0.002 0.000 0.267 163 C C 1.663 176.822 174.990 0.281 0.000 1.278 163 C CA 0.555 59.739 59.018 0.277 0.000 1.708 163 C CB -0.818 27.031 27.740 0.182 0.000 1.860 163 C HN 0.798 nan 8.230 nan 0.000 0.589 164 G N 2.445 111.323 108.800 0.131 0.000 2.246 164 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.273 164 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.273 164 G C 0.124 175.091 174.900 0.111 0.000 1.055 164 G CA 0.775 45.914 45.100 0.066 0.000 0.851 164 G HN 0.695 nan 8.290 nan 0.000 0.500 165 T N -2.826 111.805 114.554 0.129 0.000 2.950 165 T HA 0.879 5.228 4.350 -0.002 0.000 0.288 165 T C 0.420 175.168 174.700 0.080 0.000 1.035 165 T CA 0.330 62.500 62.100 0.117 0.000 1.028 165 T CB 2.251 71.227 68.868 0.179 0.000 1.109 165 T HN 1.718 nan 8.240 nan 0.000 0.514 166 A N 0.838 123.682 122.820 0.039 0.000 2.322 166 A HA 0.850 5.169 4.320 -0.002 0.000 0.269 166 A C 0.319 177.880 177.584 -0.040 0.000 1.094 166 A CA -0.265 51.762 52.037 -0.017 0.000 0.807 166 A CB -0.178 18.788 19.000 -0.056 0.000 1.047 166 A HN 1.835 nan 8.150 nan 0.000 0.487 167 A N 0.812 123.561 122.820 -0.117 0.000 2.605 167 A HA 0.674 4.993 4.320 -0.002 0.000 0.294 167 A C -1.157 176.289 177.584 -0.229 0.000 1.062 167 A CA -0.231 51.643 52.037 -0.272 0.000 0.682 167 A CB 0.770 19.477 19.000 -0.489 0.000 1.278 167 A HN 1.651 nan 8.150 nan 0.000 0.410 168 I N 0.692 121.104 120.570 -0.265 0.000 2.656 168 I HA 0.554 4.723 4.170 -0.002 0.000 0.292 168 I C -0.852 175.169 176.117 -0.159 0.000 1.144 168 I CA -0.570 60.631 61.300 -0.166 0.000 1.038 168 I CB 1.833 39.763 38.000 -0.118 0.000 1.244 168 I HN 0.671 nan 8.210 nan 0.000 0.420 169 K N 8.904 129.257 120.400 -0.079 0.000 2.414 169 K HA 0.537 4.856 4.320 -0.002 0.000 0.251 169 K C -2.727 173.889 176.600 0.026 0.000 1.037 169 K CA -1.677 54.600 56.287 -0.017 0.000 0.980 169 K CB 1.242 33.766 32.500 0.040 0.000 1.280 169 K HN 0.271 nan 8.250 nan 0.000 0.451 170 P HA -0.019 nan 4.420 nan 0.000 0.272 170 P C -0.560 176.780 177.300 0.067 0.000 1.248 170 P CA -0.203 62.915 63.100 0.030 0.000 0.799 170 P CB 0.493 32.198 31.700 0.008 0.000 0.997 171 S N -0.091 115.607 115.700 -0.002 0.000 2.558 171 S HA 0.015 4.484 4.470 -0.002 0.000 0.288 171 S C 0.154 174.858 174.600 0.173 0.000 1.318 171 S CA -0.142 58.025 58.200 -0.055 0.000 1.056 171 S CB -0.524 62.315 63.200 -0.601 0.000 0.853 171 S HN 0.285 nan 8.310 nan 0.000 0.505 172 F N 3.469 123.609 119.950 0.316 0.000 2.623 172 F HA 0.026 4.551 4.527 -0.002 0.000 0.383 172 F C 1.527 177.486 175.800 0.266 0.000 1.077 172 F CA 0.438 58.624 58.000 0.310 0.000 1.268 172 F CB -0.134 39.080 39.000 0.356 0.000 1.053 172 F HN 0.764 nan 8.300 nan 0.000 0.571 173 R N 2.893 123.100 120.500 -0.489 0.000 3.994 173 R HA -0.309 4.030 4.340 -0.002 0.000 0.403 173 R C 1.564 177.794 176.300 -0.116 0.000 1.126 173 R CA 1.248 57.114 56.100 -0.390 0.000 1.143 173 R CB -1.835 28.208 30.300 -0.428 0.000 1.695 173 R HN 0.858 nan 8.270 nan 0.000 0.555 174 M N 0.564 120.136 119.600 -0.047 0.000 2.132 174 M HA -0.042 4.437 4.480 -0.002 0.000 0.263 174 M C 0.248 176.540 176.300 -0.012 0.000 1.065 174 M CA 1.684 56.976 55.300 -0.013 0.000 1.122 174 M CB 0.313 32.917 32.600 0.007 0.000 1.365 174 M HN 0.141 nan 8.290 nan 0.000 0.411 175 L N 2.271 123.479 121.223 -0.025 0.000 2.295 175 L HA 0.439 4.778 4.340 -0.002 0.000 0.285 175 L C -2.094 174.756 176.870 -0.033 0.000 1.035 175 L CA -2.319 52.509 54.840 -0.020 0.000 0.806 175 L CB 0.980 43.030 42.059 -0.015 0.000 1.214 175 L HN 0.083 nan 8.230 nan 0.000 0.426 176 P HA 0.063 nan 4.420 nan 0.000 0.271 176 P C 0.180 177.479 177.300 -0.001 0.000 1.218 176 P CA -0.242 62.846 63.100 -0.019 0.000 0.780 176 P CB 0.954 32.651 31.700 -0.005 0.000 0.901 177 T N -2.004 112.553 114.554 0.005 0.000 3.145 177 T HA 0.153 4.502 4.350 -0.002 0.000 0.255 177 T C 0.700 175.430 174.700 0.050 0.000 1.039 177 T CA -0.331 61.793 62.100 0.041 0.000 0.928 177 T CB -0.458 68.450 68.868 0.066 0.000 1.029 177 T HN 0.084 nan 8.240 nan 0.000 0.554 178 V N 2.075 122.009 119.914 0.034 0.000 2.673 178 V HA 0.447 4.566 4.120 -0.002 0.000 0.303 178 V C 1.668 177.789 176.094 0.044 0.000 1.046 178 V CA 1.074 63.396 62.300 0.036 0.000 1.126 178 V CB -0.005 31.832 31.823 0.024 0.000 0.934 178 V HN 0.836 nan 8.190 nan 0.000 0.487 179 G N 3.669 112.500 108.800 0.052 0.000 2.153 179 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.252 179 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.252 179 G C -0.123 174.816 174.900 0.066 0.000 0.994 179 G CA 0.095 45.232 45.100 0.061 0.000 0.698 179 G HN 0.862 nan 8.290 nan 0.000 0.521 180 V N 0.416 120.372 119.914 0.070 0.000 2.376 180 V HA 0.476 4.595 4.120 -0.002 0.000 0.287 180 V C 0.605 176.751 176.094 0.088 0.000 1.015 180 V CA -1.285 61.062 62.300 0.077 0.000 0.834 180 V CB 1.655 33.529 31.823 0.085 0.000 1.001 180 V HN 0.376 nan 8.190 nan 0.000 0.428 181 K N 3.750 124.192 120.400 0.070 0.000 2.440 181 K HA -0.043 4.276 4.320 -0.002 0.000 0.275 181 K C -0.164 176.512 176.600 0.128 0.000 1.082 181 K CA 0.423 56.751 56.287 0.068 0.000 1.135 181 K CB -0.350 32.164 32.500 0.024 0.000 0.864 181 K HN 0.801 nan 8.250 nan 0.000 0.479 182 C N 6.244 125.634 119.300 0.150 0.000 2.593 182 C HA 0.229 4.688 4.460 -0.002 0.000 0.409 182 C C 1.121 176.269 174.990 0.263 0.000 1.304 182 C CA -0.484 58.668 59.018 0.224 0.000 2.007 182 C CB -0.858 27.038 27.740 0.260 0.000 2.614 182 C HN 0.965 nan 8.230 nan 0.000 0.585 183 Y N 2.808 123.178 120.300 0.117 0.000 2.583 183 Y HA 0.252 4.802 4.550 -0.001 0.000 0.270 183 Y C 1.204 177.109 175.900 0.008 0.000 1.113 183 Y CA 0.381 58.516 58.100 0.058 0.000 1.307 183 Y CB 0.122 38.618 38.460 0.060 0.000 1.369 183 Y HN 0.624 nan 8.280 nan 0.000 0.506 184 S N 0.317 116.076 115.700 0.098 0.000 2.776 184 S HA 0.133 4.602 4.470 -0.002 0.000 0.284 184 S C -0.280 174.308 174.600 -0.020 0.000 1.160 184 S CA -0.789 57.303 58.200 -0.179 0.000 1.051 184 S CB -0.112 62.844 63.200 -0.406 0.000 1.037 184 S HN 0.511 nan 8.310 nan 0.000 0.485 185 W N 4.294 125.659 121.300 0.108 0.000 2.465 185 W HA 0.174 4.832 4.660 -0.003 0.000 0.268 185 W C 1.427 178.083 176.519 0.229 0.000 1.242 185 W CA 0.845 58.285 57.345 0.159 0.000 1.248 185 W CB -0.628 28.913 29.460 0.135 0.000 1.118 185 W HN 0.683 nan 8.180 nan 0.000 0.587 186 A N 0.401 123.139 122.820 -0.136 0.000 2.119 186 A HA 0.162 4.481 4.320 -0.002 0.000 0.216 186 A C 1.928 179.413 177.584 -0.164 0.000 1.152 186 A CA 1.166 53.161 52.037 -0.069 0.000 0.708 186 A CB -0.368 18.476 19.000 -0.260 0.000 0.805 186 A HN 0.476 nan 8.150 nan 0.000 0.460 187 L N -1.558 119.628 121.223 -0.062 0.000 2.600 187 L HA 0.159 4.498 4.340 -0.002 0.000 0.213 187 L C -0.374 176.633 176.870 0.229 0.000 1.045 187 L CA -0.359 54.455 54.840 -0.042 0.000 0.863 187 L CB -0.305 41.657 42.059 -0.161 0.000 1.189 187 L HN 0.015 nan 8.230 nan 0.000 0.484 188 D N 2.143 122.684 120.400 0.235 0.000 2.772 188 D HA 0.045 4.684 4.640 -0.002 0.000 0.227 188 D C -0.218 176.274 176.300 0.319 0.000 1.114 188 D CA 1.051 55.206 54.000 0.257 0.000 0.832 188 D CB 0.434 41.379 40.800 0.241 0.000 1.154 188 D HN 0.056 nan 8.370 nan 0.000 0.514 189 T N 1.494 116.198 114.554 0.251 0.000 2.928 189 T HA 0.334 4.683 4.350 -0.002 0.000 0.296 189 T C 0.052 174.834 174.700 0.137 0.000 1.000 189 T CA -0.754 61.477 62.100 0.218 0.000 0.989 189 T CB 1.514 70.555 68.868 0.289 0.000 1.005 189 T HN -0.008 nan 8.240 nan 0.000 0.442 190 V N 2.500 122.467 119.914 0.089 0.000 2.811 190 V HA 0.689 4.808 4.120 -0.002 0.000 0.302 190 V C 0.966 177.079 176.094 0.032 0.000 1.063 190 V CA 0.060 62.398 62.300 0.063 0.000 1.088 190 V CB 1.213 33.059 31.823 0.038 0.000 0.982 190 V HN 1.094 nan 8.190 nan 0.000 0.485 191 G N 3.008 111.814 108.800 0.010 0.000 2.694 191 G HA2 0.721 4.680 3.960 -0.002 0.000 0.290 191 G HA3 0.721 4.680 3.960 -0.002 0.000 0.290 191 G C -1.933 172.899 174.900 -0.113 0.000 1.386 191 G CA -0.711 44.340 45.100 -0.082 0.000 0.872 191 G HN 0.444 nan 8.290 nan 0.000 0.475 192 L N -0.519 120.567 121.223 -0.228 0.000 2.370 192 L HA 0.705 5.044 4.340 -0.002 0.000 0.266 192 L C -1.101 175.566 176.870 -0.338 0.000 1.002 192 L CA -0.522 54.219 54.840 -0.165 0.000 0.818 192 L CB 1.975 43.961 42.059 -0.121 0.000 1.325 192 L HN 0.422 nan 8.230 nan 0.000 0.418 193 F N 0.392 120.317 119.950 -0.042 0.000 2.495 193 F HA 0.849 5.375 4.527 -0.002 0.000 0.327 193 F C 0.705 176.476 175.800 -0.049 0.000 1.103 193 F CA -0.494 57.482 58.000 -0.040 0.000 0.949 193 F CB 2.242 41.221 39.000 -0.036 0.000 1.142 193 F HN 0.484 nan 8.300 nan 0.000 0.457 194 G N 0.181 109.045 108.800 0.108 0.000 2.663 194 G HA2 0.535 4.494 3.960 -0.002 0.000 0.299 194 G HA3 0.535 4.494 3.960 -0.002 0.000 0.299 194 G C -0.145 174.763 174.900 0.015 0.000 1.372 194 G CA -0.196 44.923 45.100 0.032 0.000 0.781 194 G HN 0.767 nan 8.290 nan 0.000 0.491 195 A N -0.650 122.157 122.820 -0.022 0.000 1.854 195 A HA 0.388 4.707 4.320 -0.002 0.000 0.214 195 A C 1.369 178.916 177.584 -0.062 0.000 1.192 195 A CA 1.032 53.051 52.037 -0.029 0.000 0.611 195 A CB -0.109 18.866 19.000 -0.040 0.000 0.832 195 A HN 0.570 nan 8.150 nan 0.000 0.442 196 R N -3.618 116.810 120.500 -0.119 0.000 2.855 196 R HA 0.585 4.924 4.340 -0.002 0.000 0.266 196 R C 0.983 177.143 176.300 -0.233 0.000 1.034 196 R CA -0.125 55.864 56.100 -0.184 0.000 0.944 196 R CB 1.272 31.414 30.300 -0.264 0.000 1.219 196 R HN 0.157 nan 8.270 nan 0.000 0.474 197 A N 0.778 123.439 122.820 -0.265 0.000 1.917 197 A HA -0.249 4.070 4.320 -0.002 0.000 0.219 197 A C 1.902 179.299 177.584 -0.312 0.000 1.182 197 A CA 2.163 54.066 52.037 -0.224 0.000 0.633 197 A CB -0.569 18.358 19.000 -0.122 0.000 0.819 197 A HN 0.893 nan 8.150 nan 0.000 0.448 198 E N -0.169 119.642 120.200 -0.648 0.000 2.118 198 E HA -0.250 4.099 4.350 -0.002 0.000 0.195 198 E C 1.169 177.582 176.600 -0.311 0.000 0.992 198 E CA 1.412 57.413 56.400 -0.665 0.000 0.804 198 E CB -0.205 28.774 29.700 -1.203 0.000 0.741 198 E HN 0.612 nan 8.360 nan 0.000 0.458 199 D N 0.700 120.938 120.400 -0.270 0.000 2.117 199 D HA -0.162 4.477 4.640 -0.002 0.000 0.197 199 D C 2.193 178.412 176.300 -0.134 0.000 0.987 199 D CA 0.909 54.812 54.000 -0.162 0.000 0.829 199 D CB -0.170 40.551 40.800 -0.132 0.000 0.961 199 D HN 0.327 nan 8.370 nan 0.000 0.460 200 L N 0.861 121.996 121.223 -0.146 0.000 2.056 200 L HA -0.122 4.218 4.340 -0.002 0.000 0.207 200 L C 2.685 179.453 176.870 -0.171 0.000 1.078 200 L CA 0.977 55.730 54.840 -0.146 0.000 0.749 200 L CB -0.518 41.458 42.059 -0.138 0.000 0.901 200 L HN -0.036 nan 8.230 nan 0.000 0.433 201 A N 0.088 122.839 122.820 -0.115 0.000 1.858 201 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 201 A C 2.424 179.966 177.584 -0.069 0.000 1.190 201 A CA 1.353 53.362 52.037 -0.046 0.000 0.617 201 A CB -0.451 18.606 19.000 0.096 0.000 0.827 201 A HN 0.244 nan 8.150 nan 0.000 0.443 202 R N -0.711 119.759 120.500 -0.051 0.000 2.091 202 R HA -0.130 4.209 4.340 -0.002 0.000 0.238 202 R C 2.378 178.635 176.300 -0.070 0.000 1.136 202 R CA 1.371 57.452 56.100 -0.033 0.000 0.959 202 R CB -1.261 29.020 30.300 -0.033 0.000 0.856 202 R HN 0.562 nan 8.270 nan 0.000 0.437 203 G N 1.059 109.794 108.800 -0.109 0.000 2.421 203 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.216 203 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.216 203 G C 1.622 176.418 174.900 -0.172 0.000 1.171 203 G CA 0.307 45.337 45.100 -0.116 0.000 0.775 203 G HN 0.188 nan 8.290 nan 0.000 0.543 204 L N -0.267 120.765 121.223 -0.318 0.000 2.093 204 L HA -0.008 4.331 4.340 -0.002 0.000 0.208 204 L C 2.680 179.348 176.870 -0.337 0.000 1.085 204 L CA 0.344 54.873 54.840 -0.519 0.000 0.755 204 L CB -0.369 40.958 42.059 -1.220 0.000 0.904 204 L HN 0.231 nan 8.230 nan 0.000 0.435 205 L N 0.375 121.497 121.223 -0.168 0.000 2.017 205 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 205 L C 2.614 179.505 176.870 0.035 0.000 1.073 205 L CA 2.167 57.049 54.840 0.070 0.000 0.745 205 L CB -0.784 41.344 42.059 0.115 0.000 0.894 205 L HN 0.138 nan 8.230 nan 0.000 0.432 206 A N -0.911 121.904 122.820 -0.008 0.000 1.930 206 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 206 A C 2.265 179.845 177.584 -0.007 0.000 1.175 206 A CA 2.036 54.072 52.037 -0.002 0.000 0.627 206 A CB -0.521 18.473 19.000 -0.011 0.000 0.815 206 A HN 0.558 nan 8.150 nan 0.000 0.443 207 M N -0.579 119.001 119.600 -0.032 0.000 2.156 207 M HA -0.091 4.388 4.480 -0.002 0.000 0.264 207 M C 2.309 178.607 176.300 -0.003 0.000 1.067 207 M CA 1.929 57.212 55.300 -0.027 0.000 1.131 207 M CB -0.263 32.303 32.600 -0.058 0.000 1.368 207 M HN 0.674 nan 8.290 nan 0.000 0.416 208 T N -4.068 110.494 114.554 0.013 0.000 3.023 208 T HA 0.293 4.642 4.350 -0.002 0.000 0.249 208 T C 1.529 176.279 174.700 0.082 0.000 1.050 208 T CA 0.687 62.824 62.100 0.062 0.000 1.088 208 T CB 0.166 69.112 68.868 0.130 0.000 0.946 208 T HN 0.540 nan 8.240 nan 0.000 0.480 209 G N 2.302 111.157 108.800 0.091 0.000 2.153 209 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.252 209 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.252 209 G C 0.066 175.023 174.900 0.095 0.000 0.994 209 G CA 0.032 45.181 45.100 0.081 0.000 0.698 209 G HN 0.716 nan 8.290 nan 0.000 0.521 210 R N 0.628 121.222 120.500 0.157 0.000 2.298 210 R HA 0.416 4.755 4.340 -0.002 0.000 0.310 210 R C 1.940 178.273 176.300 0.055 0.000 1.068 210 R CA 0.325 56.483 56.100 0.097 0.000 0.957 210 R CB 0.859 31.220 30.300 0.101 0.000 1.003 210 R HN 0.431 nan 8.270 nan 0.000 0.454 211 S N 2.417 118.114 115.700 -0.004 0.000 2.440 211 S HA -0.235 4.234 4.470 -0.002 0.000 0.238 211 S C 1.475 176.031 174.600 -0.075 0.000 1.010 211 S CA 1.463 59.654 58.200 -0.016 0.000 0.972 211 S CB -0.253 62.935 63.200 -0.021 0.000 0.774 211 S HN 0.788 nan 8.310 nan 0.000 0.501 212 E N 0.710 120.784 120.200 -0.211 0.000 2.209 212 E HA -0.163 4.186 4.350 -0.002 0.000 0.196 212 E C 1.091 177.467 176.600 -0.374 0.000 0.993 212 E CA 1.044 57.230 56.400 -0.358 0.000 0.819 212 E CB -0.688 28.660 29.700 -0.586 0.000 0.745 212 E HN 0.748 nan 8.360 nan 0.000 0.477 213 F N 1.330 121.289 119.950 0.016 0.000 2.765 213 F HA 0.184 4.710 4.527 -0.002 0.000 0.302 213 F C 1.106 176.930 175.800 0.039 0.000 1.111 213 F CA -0.364 57.653 58.000 0.027 0.000 1.359 213 F CB 0.817 39.826 39.000 0.014 0.000 1.097 213 F HN -0.130 nan 8.300 nan 0.000 0.577 214 S N -0.089 115.695 115.700 0.140 0.000 2.480 214 S HA 0.491 4.960 4.470 -0.002 0.000 0.286 214 S C 0.837 175.489 174.600 0.086 0.000 1.180 214 S CA 0.200 58.465 58.200 0.109 0.000 1.075 214 S CB 0.869 64.113 63.200 0.072 0.000 0.996 214 S HN 0.627 nan 8.310 nan 0.000 0.487 215 G N 4.213 113.073 108.800 0.099 0.000 2.143 215 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.248 215 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.248 215 G C 0.138 175.096 174.900 0.096 0.000 0.991 215 G CA 0.163 45.313 45.100 0.083 0.000 0.689 215 G HN 0.749 nan 8.290 nan 0.000 0.522 216 I N 0.215 120.880 120.570 0.158 0.000 2.648 216 I HA 0.315 4.484 4.170 -0.002 0.000 0.284 216 I C 0.724 176.951 176.117 0.182 0.000 1.153 216 I CA 0.160 61.572 61.300 0.188 0.000 1.426 216 I CB 0.971 39.140 38.000 0.281 0.000 1.381 216 I HN -0.054 nan 8.210 nan 0.000 0.571 217 V N 7.024 126.934 119.914 -0.006 0.000 3.078 217 V HA 0.355 4.474 4.120 -0.002 0.000 0.311 217 V C -2.318 173.524 176.094 -0.420 0.000 1.138 217 V CA -1.803 60.280 62.300 -0.362 0.000 1.007 217 V CB 2.121 33.794 31.823 -0.250 0.000 1.045 217 V HN 0.582 nan 8.190 nan 0.000 0.432 218 P HA 0.122 nan 4.420 nan 0.000 0.263 218 P C -0.424 176.785 177.300 -0.152 0.000 1.175 218 P CA 0.413 63.231 63.100 -0.470 0.000 0.761 218 P CB 0.311 31.632 31.700 -0.631 0.000 0.794 219 A N 3.950 126.760 122.820 -0.017 0.000 2.346 219 A HA 0.289 4.608 4.320 -0.002 0.000 0.252 219 A C 0.090 177.604 177.584 -0.115 0.000 1.089 219 A CA 0.040 52.041 52.037 -0.059 0.000 0.797 219 A CB 0.171 19.113 19.000 -0.096 0.000 1.047 219 A HN 0.479 nan 8.150 nan 0.000 0.494 220 K N 0.566 120.873 120.400 -0.155 0.000 2.270 220 K HA 0.558 4.877 4.320 -0.002 0.000 0.255 220 K C 0.033 176.478 176.600 -0.259 0.000 0.936 220 K CA -0.056 56.138 56.287 -0.156 0.000 0.809 220 K CB 1.834 34.289 32.500 -0.075 0.000 1.131 220 K HN 1.389 nan 8.250 nan 0.000 0.427 221 A N 2.655 125.297 122.820 -0.297 0.000 2.208 221 A HA -0.140 4.179 4.320 -0.002 0.000 0.277 221 A C -2.274 175.135 177.584 -0.291 0.000 1.377 221 A CA -0.275 51.605 52.037 -0.261 0.000 0.758 221 A CB -1.832 17.106 19.000 -0.104 0.000 1.122 221 A HN 0.396 nan 8.150 nan 0.000 0.350 222 P HA 0.287 nan 4.420 nan 0.000 0.272 222 P C 0.128 177.340 177.300 -0.147 0.000 1.223 222 P CA -0.158 62.776 63.100 -0.276 0.000 0.784 222 P CB 0.518 31.984 31.700 -0.390 0.000 0.923 223 R N 2.424 122.894 120.500 -0.050 0.000 2.235 223 R HA 0.400 4.739 4.340 -0.002 0.000 0.338 223 R C -0.216 176.078 176.300 -0.011 0.000 1.087 223 R CA -0.335 55.749 56.100 -0.026 0.000 0.948 223 R CB -0.020 30.275 30.300 -0.009 0.000 1.099 223 R HN 0.485 nan 8.270 nan 0.000 0.483 224 I N 1.174 121.730 120.570 -0.023 0.000 2.392 224 I HA 0.325 4.494 4.170 -0.002 0.000 0.295 224 I C 0.799 176.892 176.117 -0.040 0.000 0.985 224 I CA -0.598 60.688 61.300 -0.023 0.000 1.221 224 I CB 2.017 40.012 38.000 -0.008 0.000 1.366 224 I HN 0.567 nan 8.210 nan 0.000 0.467 225 G N 5.575 114.335 108.800 -0.065 0.000 2.533 225 G HA2 0.516 4.475 3.960 -0.002 0.000 0.310 225 G HA3 0.516 4.475 3.960 -0.002 0.000 0.310 225 G C -0.704 174.143 174.900 -0.088 0.000 1.266 225 G CA -0.333 44.718 45.100 -0.081 0.000 0.967 225 G HN 0.342 nan 8.290 nan 0.000 0.493 226 V N 3.243 123.112 119.914 -0.076 0.000 2.455 226 V HA 0.361 4.480 4.120 -0.002 0.000 0.273 226 V C 0.504 176.546 176.094 -0.086 0.000 1.045 226 V CA -0.340 61.901 62.300 -0.098 0.000 0.976 226 V CB 0.987 32.751 31.823 -0.098 0.000 0.993 226 V HN 0.712 nan 8.190 nan 0.000 0.475 227 V N 3.609 123.466 119.914 -0.096 0.000 2.487 227 V HA 0.591 4.710 4.120 -0.002 0.000 0.298 227 V C 0.459 176.487 176.094 -0.111 0.000 1.028 227 V CA -0.763 61.517 62.300 -0.034 0.000 0.860 227 V CB 1.594 33.476 31.823 0.098 0.000 0.991 227 V HN 0.735 nan 8.190 nan 0.000 0.427 228 R N 1.528 121.961 120.500 -0.110 0.000 2.334 228 R HA 0.256 4.595 4.340 -0.002 0.000 0.216 228 R C 0.065 176.339 176.300 -0.043 0.000 0.905 228 R CA 0.037 56.064 56.100 -0.122 0.000 1.064 228 R CB 0.099 30.383 30.300 -0.026 0.000 1.046 228 R HN 0.952 nan 8.270 nan 0.000 0.508 229 Q N 0.498 120.162 119.800 -0.227 0.000 2.443 229 Q HA -0.218 4.122 4.340 -0.002 0.000 0.337 229 Q C -0.167 175.189 176.000 -1.072 0.000 1.401 229 Q CA 0.447 55.692 55.803 -0.930 0.000 0.943 229 Q CB -0.861 27.501 28.738 -0.626 0.000 1.177 229 Q HN 0.301 nan 8.270 nan 0.000 0.394 230 E N -0.202 119.603 120.200 -0.659 0.000 2.209 230 E HA -0.190 4.159 4.350 -0.002 0.000 0.196 230 E C 1.221 177.518 176.600 -0.505 0.000 0.993 230 E CA 1.839 58.002 56.400 -0.395 0.000 0.819 230 E CB -0.329 29.278 29.700 -0.155 0.000 0.745 230 E HN 0.788 nan 8.360 nan 0.000 0.477 231 F N -0.801 118.844 119.950 -0.509 0.000 2.333 231 F HA 0.062 4.588 4.527 -0.000 0.000 0.300 231 F C 1.905 177.119 175.800 -0.976 0.000 1.083 231 F CA 0.678 58.278 58.000 -0.668 0.000 1.395 231 F CB -0.580 37.917 39.000 -0.837 0.000 1.056 231 F HN -0.011 nan 8.300 nan 0.000 0.529 232 A N 0.455 122.547 122.820 -1.214 0.000 2.307 232 A HA 0.552 4.871 4.320 -0.002 0.000 0.218 232 A C 1.359 178.695 177.584 -0.413 0.000 1.228 232 A CA 0.420 51.881 52.037 -0.960 0.000 0.857 232 A CB -1.265 17.073 19.000 -1.103 0.000 0.897 232 A HN 0.931 nan 8.150 nan 0.000 0.495 233 G N -1.472 107.161 108.800 -0.279 0.000 2.781 233 G HA2 0.335 4.294 3.960 -0.002 0.000 0.683 233 G HA3 0.335 4.294 3.960 -0.002 0.000 0.683 233 G C 0.118 175.023 174.900 0.008 0.000 1.390 233 G CA -0.416 44.631 45.100 -0.090 0.000 0.850 233 G HN 1.650 nan 8.290 nan 0.000 0.557 234 A N -0.307 122.516 122.820 0.004 0.000 2.445 234 A HA 0.655 4.974 4.320 -0.002 0.000 0.242 234 A C 1.030 178.595 177.584 -0.033 0.000 1.075 234 A CA 0.706 52.733 52.037 -0.017 0.000 0.777 234 A CB 1.091 20.076 19.000 -0.026 0.000 1.013 234 A HN 2.244 nan 8.150 nan 0.000 0.493 235 V N 1.489 121.261 119.914 -0.237 0.000 3.262 235 V HA 0.253 4.372 4.120 -0.002 0.000 0.313 235 V C 0.584 176.529 176.094 -0.248 0.000 1.070 235 V CA -0.555 61.494 62.300 -0.419 0.000 1.049 235 V CB 1.334 32.444 31.823 -1.189 0.000 1.157 235 V HN 1.038 nan 8.190 nan 0.000 0.454 236 E N 3.486 123.564 120.200 -0.204 0.000 2.373 236 E HA 0.182 4.531 4.350 -0.002 0.000 0.263 236 E C -1.786 174.742 176.600 -0.120 0.000 1.073 236 E CA -1.164 55.169 56.400 -0.112 0.000 0.894 236 E CB 0.904 30.566 29.700 -0.063 0.000 1.008 236 E HN 0.501 nan 8.360 nan 0.000 0.420 237 P HA -0.323 nan 4.420 nan 0.000 0.217 237 P C 0.915 178.187 177.300 -0.047 0.000 1.158 237 P CA 2.033 65.103 63.100 -0.051 0.000 0.887 237 P CB 0.116 31.797 31.700 -0.032 0.000 0.792 238 A N -0.335 122.456 122.820 -0.047 0.000 1.917 238 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 238 A C 2.338 179.902 177.584 -0.033 0.000 1.182 238 A CA 2.423 54.438 52.037 -0.038 0.000 0.633 238 A CB -1.640 17.337 19.000 -0.039 0.000 0.819 238 A HN 0.229 nan 8.150 nan 0.000 0.448 239 A N -0.523 122.255 122.820 -0.071 0.000 1.930 239 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 239 A C 1.977 179.587 177.584 0.044 0.000 1.175 239 A CA 2.081 54.077 52.037 -0.069 0.000 0.627 239 A CB -0.414 18.415 19.000 -0.284 0.000 0.815 239 A HN 0.556 nan 8.150 nan 0.000 0.443 240 E N 0.178 120.381 120.200 0.005 0.000 2.107 240 E HA -0.170 4.179 4.350 -0.002 0.000 0.191 240 E C 2.035 178.678 176.600 0.071 0.000 0.982 240 E CA 1.610 58.085 56.400 0.125 0.000 0.809 240 E CB -0.371 29.357 29.700 0.047 0.000 0.756 240 E HN 0.701 nan 8.360 nan 0.000 0.459 241 Q N -0.638 119.176 119.800 0.024 0.000 2.084 241 Q HA -0.063 4.276 4.340 -0.002 0.000 0.202 241 Q C 2.159 178.166 176.000 0.011 0.000 0.978 241 Q CA 1.418 57.227 55.803 0.009 0.000 0.844 241 Q CB -0.330 28.404 28.738 -0.006 0.000 0.898 241 Q HN 0.452 nan 8.270 nan 0.000 0.426 242 G N 0.611 109.423 108.800 0.020 0.000 2.403 242 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 242 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 242 G C 1.340 176.247 174.900 0.012 0.000 1.154 242 G CA 0.387 45.496 45.100 0.014 0.000 0.784 242 G HN 0.222 nan 8.290 nan 0.000 0.538 243 L N 0.439 121.684 121.223 0.036 0.000 2.027 243 L HA 0.009 4.348 4.340 -0.002 0.000 0.206 243 L C 2.848 179.701 176.870 -0.029 0.000 1.074 243 L CA 1.940 56.768 54.840 -0.020 0.000 0.745 243 L CB -0.745 41.280 42.059 -0.055 0.000 0.898 243 L HN 0.284 nan 8.230 nan 0.000 0.433 244 Q N -0.762 119.034 119.800 -0.006 0.000 2.096 244 Q HA -0.199 4.140 4.340 -0.002 0.000 0.204 244 Q C 2.221 178.212 176.000 -0.015 0.000 0.982 244 Q CA 1.758 57.554 55.803 -0.011 0.000 0.850 244 Q CB -0.360 28.377 28.738 -0.001 0.000 0.901 244 Q HN 0.702 nan 8.270 nan 0.000 0.422 245 A N 0.754 123.566 122.820 -0.014 0.000 1.930 245 A HA -0.095 4.225 4.320 -0.002 0.000 0.217 245 A C 2.228 179.797 177.584 -0.025 0.000 1.175 245 A CA 1.496 53.521 52.037 -0.019 0.000 0.627 245 A CB -0.643 18.346 19.000 -0.019 0.000 0.815 245 A HN 0.406 nan 8.150 nan 0.000 0.443 246 A N 0.079 122.883 122.820 -0.027 0.000 1.873 246 A HA -0.032 4.287 4.320 -0.002 0.000 0.215 246 A C 2.107 179.678 177.584 -0.022 0.000 1.186 246 A CA 1.381 53.399 52.037 -0.032 0.000 0.616 246 A CB -0.585 18.394 19.000 -0.035 0.000 0.823 246 A HN 0.474 nan 8.150 nan 0.000 0.442 247 I N -0.346 120.211 120.570 -0.022 0.000 2.127 247 I HA -0.310 3.859 4.170 -0.002 0.000 0.241 247 I C 2.599 178.716 176.117 0.001 0.000 1.075 247 I CA 2.053 63.346 61.300 -0.010 0.000 1.334 247 I CB -0.303 37.683 38.000 -0.023 0.000 1.040 247 I HN 0.403 nan 8.210 nan 0.000 0.405 248 K N 1.268 121.663 120.400 -0.008 0.000 2.057 248 K HA -0.202 4.117 4.320 -0.002 0.000 0.207 248 K C 2.188 178.782 176.600 -0.008 0.000 1.049 248 K CA 1.612 57.896 56.287 -0.006 0.000 0.931 248 K CB -0.123 32.371 32.500 -0.011 0.000 0.714 248 K HN 0.305 nan 8.250 nan 0.000 0.440 249 A N 0.876 123.681 122.820 -0.025 0.000 1.930 249 A HA -0.061 4.258 4.320 -0.002 0.000 0.217 249 A C 2.275 179.827 177.584 -0.054 0.000 1.175 249 A CA 1.721 53.727 52.037 -0.050 0.000 0.627 249 A CB -0.656 18.298 19.000 -0.077 0.000 0.815 249 A HN 0.493 nan 8.150 nan 0.000 0.443 250 A N -0.106 122.710 122.820 -0.007 0.000 1.873 250 A HA -0.149 4.170 4.320 -0.002 0.000 0.215 250 A C 1.923 179.609 177.584 0.170 0.000 1.186 250 A CA 1.575 53.680 52.037 0.113 0.000 0.616 250 A CB -0.568 18.546 19.000 0.190 0.000 0.823 250 A HN 0.603 nan 8.150 nan 0.000 0.442 251 E N -0.803 119.451 120.200 0.090 0.000 2.038 251 E HA -0.238 4.111 4.350 -0.002 0.000 0.195 251 E C 2.278 178.917 176.600 0.066 0.000 1.000 251 E CA 1.384 57.826 56.400 0.071 0.000 0.803 251 E CB -0.191 29.530 29.700 0.035 0.000 0.750 251 E HN 0.540 nan 8.360 nan 0.000 0.448 252 R N 0.228 120.752 120.500 0.039 0.000 2.241 252 R HA -0.077 4.262 4.340 -0.002 0.000 0.224 252 R C 1.774 178.099 176.300 0.041 0.000 1.101 252 R CA 0.932 57.048 56.100 0.026 0.000 0.995 252 R CB 0.002 30.304 30.300 0.004 0.000 0.870 252 R HN 0.108 nan 8.270 nan 0.000 0.463 253 A N -0.939 121.924 122.820 0.072 0.000 2.218 253 A HA 0.243 4.562 4.320 -0.002 0.000 0.209 253 A C 1.320 179.045 177.584 0.236 0.000 1.168 253 A CA 0.702 52.809 52.037 0.116 0.000 0.804 253 A CB 0.156 19.149 19.000 -0.012 0.000 0.834 253 A HN 0.480 nan 8.150 nan 0.000 0.482 254 G N -2.285 106.619 108.800 0.174 0.000 2.184 254 G HA2 0.164 4.123 3.960 -0.002 0.000 0.206 254 G HA3 0.164 4.123 3.960 -0.002 0.000 0.206 254 G C 0.354 175.299 174.900 0.074 0.000 0.995 254 G CA 0.088 45.256 45.100 0.113 0.000 0.651 254 G HN 1.461 nan 8.290 nan 0.000 0.511 255 A N 0.469 123.369 122.820 0.134 0.000 2.340 255 A HA 0.751 5.070 4.320 -0.002 0.000 0.268 255 A C 0.837 178.433 177.584 0.021 0.000 1.100 255 A CA 0.754 52.803 52.037 0.020 0.000 0.803 255 A CB 0.599 19.646 19.000 0.079 0.000 1.043 255 A HN 1.807 nan 8.150 nan 0.000 0.488 256 S N 1.326 117.017 115.700 -0.016 0.000 2.410 256 S HA 0.536 5.005 4.470 -0.002 0.000 0.304 256 S C -0.444 174.152 174.600 -0.007 0.000 1.095 256 S CA -0.602 57.593 58.200 -0.008 0.000 1.089 256 S CB 0.578 63.767 63.200 -0.018 0.000 0.968 256 S HN 0.618 nan 8.310 nan 0.000 0.480 257 V N 4.745 124.660 119.914 0.001 0.000 2.435 257 V HA 0.583 4.702 4.120 -0.002 0.000 0.290 257 V C -0.180 175.906 176.094 -0.014 0.000 1.030 257 V CA -0.642 61.654 62.300 -0.006 0.000 0.881 257 V CB 1.200 33.024 31.823 0.002 0.000 0.983 257 V HN 1.009 nan 8.190 nan 0.000 0.445 258 Q N 3.510 123.296 119.800 -0.023 0.000 2.289 258 Q HA 0.820 5.159 4.340 -0.002 0.000 0.270 258 Q C -0.824 175.157 176.000 -0.031 0.000 1.038 258 Q CA -0.830 54.959 55.803 -0.023 0.000 0.812 258 Q CB 2.266 30.991 28.738 -0.022 0.000 1.300 258 Q HN 0.777 nan 8.270 nan 0.000 0.427 259 A N 4.338 127.142 122.820 -0.026 0.000 2.450 259 A HA 0.566 4.885 4.320 -0.002 0.000 0.255 259 A C -0.425 177.147 177.584 -0.019 0.000 1.096 259 A CA -0.168 51.852 52.037 -0.028 0.000 0.778 259 A CB 0.013 19.000 19.000 -0.022 0.000 1.031 259 A HN 0.730 nan 8.150 nan 0.000 0.494 260 I N 1.589 122.149 120.570 -0.018 0.000 2.785 260 I HA 0.307 4.476 4.170 -0.002 0.000 0.302 260 I C -0.631 175.505 176.117 0.032 0.000 1.069 260 I CA -0.883 60.415 61.300 -0.003 0.000 1.045 260 I CB 2.252 40.237 38.000 -0.026 0.000 1.236 260 I HN 0.570 nan 8.210 nan 0.000 0.429 261 D N 3.855 124.286 120.400 0.052 0.000 2.332 261 D HA 0.581 5.220 4.640 -0.002 0.000 0.252 261 D C -0.680 175.706 176.300 0.143 0.000 1.050 261 D CA -0.224 53.842 54.000 0.110 0.000 0.970 261 D CB 2.043 42.898 40.800 0.092 0.000 1.141 261 D HN 0.200 nan 8.370 nan 0.000 0.485 262 L N 1.567 122.953 121.223 0.271 0.000 2.329 262 L HA 0.346 4.685 4.340 -0.002 0.000 0.279 262 L C -2.253 174.700 176.870 0.139 0.000 1.014 262 L CA -1.880 53.120 54.840 0.266 0.000 0.814 262 L CB 1.851 44.151 42.059 0.400 0.000 1.257 262 L HN 0.035 nan 8.230 nan 0.000 0.424 263 P HA -0.080 nan 4.420 nan 0.000 0.266 263 P C 0.361 177.525 177.300 -0.226 0.000 1.193 263 P CA 0.079 63.133 63.100 -0.077 0.000 0.770 263 P CB 0.684 32.369 31.700 -0.025 0.000 0.836 264 E N 3.413 123.422 120.200 -0.319 0.000 2.171 264 E HA -0.243 4.106 4.350 -0.002 0.000 0.197 264 E C 1.810 178.294 176.600 -0.193 0.000 0.997 264 E CA 2.082 58.249 56.400 -0.388 0.000 0.810 264 E CB -0.837 28.723 29.700 -0.234 0.000 0.738 264 E HN 0.452 nan 8.360 nan 0.000 0.467 265 A N -0.193 122.554 122.820 -0.121 0.000 1.972 265 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 265 A C 2.439 179.977 177.584 -0.077 0.000 1.169 265 A CA 1.561 53.550 52.037 -0.080 0.000 0.635 265 A CB -0.523 18.442 19.000 -0.059 0.000 0.810 265 A HN 0.208 nan 8.150 nan 0.000 0.446 266 V N -0.512 119.363 119.914 -0.064 0.000 2.379 266 V HA -0.239 3.880 4.120 -0.002 0.000 0.245 266 V C 2.228 178.204 176.094 -0.196 0.000 1.044 266 V CA 1.932 64.182 62.300 -0.083 0.000 1.036 266 V CB -1.171 30.649 31.823 -0.004 0.000 0.664 266 V HN 0.709 nan 8.190 nan 0.000 0.453 267 H N -0.272 118.552 119.070 -0.410 0.000 2.352 267 H HA -0.141 4.414 4.556 -0.002 0.000 0.299 267 H C 2.448 177.590 175.328 -0.310 0.000 1.097 267 H CA 1.346 57.017 56.048 -0.628 0.000 1.311 267 H CB 0.177 29.746 29.762 -0.322 0.000 1.377 267 H HN 0.369 nan 8.280 nan 0.000 0.504 268 E N 0.861 121.041 120.200 -0.033 0.000 2.110 268 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 268 E C 2.446 179.014 176.600 -0.053 0.000 0.988 268 E CA 0.826 57.212 56.400 -0.024 0.000 0.804 268 E CB -0.261 29.414 29.700 -0.042 0.000 0.745 268 E HN 0.453 nan 8.360 nan 0.000 0.458 269 A N 0.425 123.190 122.820 -0.092 0.000 1.902 269 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 269 A C 2.073 179.599 177.584 -0.096 0.000 1.181 269 A CA 1.461 53.433 52.037 -0.108 0.000 0.623 269 A CB -1.132 17.794 19.000 -0.124 0.000 0.818 269 A HN 0.464 nan 8.150 nan 0.000 0.443 270 W N 0.683 121.787 121.300 -0.327 0.000 2.358 270 W HA -0.201 4.457 4.660 -0.002 0.000 0.303 270 W C 2.360 178.786 176.519 -0.154 0.000 1.208 270 W CA 2.040 59.205 57.345 -0.300 0.000 1.274 270 W CB -0.154 29.001 29.460 -0.508 0.000 1.138 270 W HN 0.308 nan 8.180 nan 0.000 0.515 271 R N 0.744 121.250 120.500 0.009 0.000 2.081 271 R HA -0.180 4.159 4.340 -0.002 0.000 0.235 271 R C 1.910 178.067 176.300 -0.238 0.000 1.131 271 R CA 2.291 58.307 56.100 -0.140 0.000 0.960 271 R CB -0.719 29.637 30.300 0.094 0.000 0.856 271 R HN 0.409 nan 8.270 nan 0.000 0.436 272 I N -1.517 118.955 120.570 -0.164 0.000 3.684 272 I HA 0.005 4.174 4.170 -0.002 0.000 0.304 272 I C 1.954 177.969 176.117 -0.170 0.000 1.278 272 I CA 0.598 61.806 61.300 -0.153 0.000 1.272 272 I CB -0.637 37.285 38.000 -0.129 0.000 1.029 272 I HN 0.133 nan 8.210 nan 0.000 0.458 273 H N 2.997 121.880 119.070 -0.312 0.000 2.353 273 H HA -0.063 4.492 4.556 -0.001 0.000 0.298 273 H C -0.733 174.436 175.328 -0.265 0.000 1.103 273 H CA 2.412 58.279 56.048 -0.301 0.000 1.293 273 H CB -1.149 28.390 29.762 -0.372 0.000 1.372 273 H HN 0.226 nan 8.280 nan 0.000 0.501 274 P HA -0.125 nan 4.420 nan 0.000 0.218 274 P C 1.868 179.090 177.300 -0.131 0.000 1.149 274 P CA 0.941 63.973 63.100 -0.113 0.000 0.817 274 P CB 0.010 31.639 31.700 -0.118 0.000 0.785 275 I N -1.078 119.418 120.570 -0.122 0.000 2.202 275 I HA -0.173 3.996 4.170 -0.002 0.000 0.242 275 I C 2.315 178.419 176.117 -0.021 0.000 1.091 275 I CA 1.479 62.745 61.300 -0.058 0.000 1.368 275 I CB -1.287 36.673 38.000 -0.066 0.000 1.058 275 I HN -0.025 nan 8.210 nan 0.000 0.410 276 I N 0.383 120.887 120.570 -0.110 0.000 2.179 276 I HA -0.331 3.838 4.170 -0.002 0.000 0.242 276 I C 2.744 178.745 176.117 -0.193 0.000 1.088 276 I CA 1.304 62.560 61.300 -0.073 0.000 1.357 276 I CB -0.445 37.412 38.000 -0.240 0.000 1.051 276 I HN 0.344 nan 8.210 nan 0.000 0.409 277 Q N 1.057 120.633 119.800 -0.373 0.000 2.030 277 Q HA -0.266 4.073 4.340 -0.002 0.000 0.204 277 Q C 1.707 177.538 176.000 -0.283 0.000 0.986 277 Q CA 2.224 57.758 55.803 -0.448 0.000 0.843 277 Q CB 0.013 28.430 28.738 -0.536 0.000 0.904 277 Q HN 0.446 nan 8.270 nan 0.000 0.420 278 D N -0.330 119.982 120.400 -0.148 0.000 2.183 278 D HA -0.116 4.523 4.640 -0.002 0.000 0.203 278 D C 1.594 177.886 176.300 -0.013 0.000 0.969 278 D CA 0.650 54.617 54.000 -0.056 0.000 0.842 278 D CB -0.327 40.474 40.800 0.001 0.000 0.957 278 D HN 0.262 nan 8.370 nan 0.000 0.484 279 F N 2.098 121.961 119.950 -0.146 0.000 2.113 279 F HA -0.120 4.407 4.527 -0.001 0.000 0.297 279 F C 2.119 177.746 175.800 -0.289 0.000 1.103 279 F CA 1.399 59.279 58.000 -0.200 0.000 1.248 279 F CB 0.047 38.863 39.000 -0.306 0.000 0.999 279 F HN -0.131 nan 8.300 nan 0.000 0.475 280 E N 0.191 120.194 120.200 -0.329 0.000 2.150 280 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 280 E C 2.358 178.789 176.600 -0.282 0.000 0.985 280 E CA 0.812 56.870 56.400 -0.570 0.000 0.814 280 E CB -0.413 28.673 29.700 -1.023 0.000 0.752 280 E HN 0.500 nan 8.360 nan 0.000 0.466 281 A N 1.627 124.334 122.820 -0.190 0.000 1.940 281 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 281 A C 1.891 179.362 177.584 -0.188 0.000 1.176 281 A CA 1.368 53.368 52.037 -0.062 0.000 0.631 281 A CB -0.694 18.330 19.000 0.041 0.000 0.814 281 A HN 0.271 nan 8.150 nan 0.000 0.446 282 H N -1.161 117.747 119.070 -0.270 0.000 2.421 282 H HA -0.027 4.528 4.556 -0.002 0.000 0.298 282 H C 2.360 177.544 175.328 -0.241 0.000 1.087 282 H CA 1.740 57.578 56.048 -0.351 0.000 1.330 282 H CB 0.118 29.598 29.762 -0.470 0.000 1.388 282 H HN 0.299 nan 8.280 nan 0.000 0.526 283 R N 0.460 120.905 120.500 -0.092 0.000 2.066 283 R HA 0.107 4.446 4.340 -0.002 0.000 0.224 283 R C 2.434 178.808 176.300 0.123 0.000 1.122 283 R CA 1.071 57.183 56.100 0.020 0.000 0.974 283 R CB -0.674 29.695 30.300 0.116 0.000 0.871 283 R HN 0.231 nan 8.270 nan 0.000 0.435 284 A N -0.082 122.861 122.820 0.205 0.000 2.019 284 A HA -0.026 4.293 4.320 -0.002 0.000 0.219 284 A C 1.337 178.978 177.584 0.096 0.000 1.164 284 A CA 1.082 53.248 52.037 0.215 0.000 0.644 284 A CB -0.219 18.959 19.000 0.296 0.000 0.805 284 A HN 0.245 nan 8.150 nan 0.000 0.449 285 L N -1.178 120.055 121.223 0.018 0.000 3.110 285 L HA 0.282 4.621 4.340 -0.002 0.000 0.266 285 L C 2.016 178.919 176.870 0.053 0.000 1.257 285 L CA 0.169 54.988 54.840 -0.036 0.000 1.038 285 L CB 0.212 42.141 42.059 -0.218 0.000 1.395 285 L HN 0.327 nan 8.230 nan 0.000 0.566 286 A N 0.429 123.315 122.820 0.109 0.000 1.883 286 A HA -0.254 4.065 4.320 -0.002 0.000 0.217 286 A C 1.915 179.627 177.584 0.214 0.000 1.186 286 A CA 1.793 53.926 52.037 0.160 0.000 0.624 286 A CB -0.688 18.388 19.000 0.128 0.000 0.822 286 A HN 0.720 nan 8.150 nan 0.000 0.444 287 W N 0.952 122.285 121.300 0.055 0.000 2.358 287 W HA -0.181 4.478 4.660 -0.002 0.000 0.303 287 W C 1.864 178.441 176.519 0.097 0.000 1.208 287 W CA 2.138 59.521 57.345 0.063 0.000 1.274 287 W CB -0.183 29.305 29.460 0.048 0.000 1.138 287 W HN 0.423 nan 8.180 nan 0.000 0.515 288 E N -0.583 119.694 120.200 0.128 0.000 2.051 288 E HA -0.207 4.142 4.350 -0.002 0.000 0.192 288 E C 1.953 178.499 176.600 -0.089 0.000 0.991 288 E CA 1.787 58.134 56.400 -0.089 0.000 0.799 288 E CB -1.011 28.628 29.700 -0.102 0.000 0.748 288 E HN 0.316 nan 8.360 nan 0.000 0.449 289 F N 0.654 120.522 119.950 -0.136 0.000 2.186 289 F HA -0.135 4.392 4.527 -0.001 0.000 0.299 289 F C 2.075 177.862 175.800 -0.022 0.000 1.090 289 F CA 1.157 59.121 58.000 -0.061 0.000 1.307 289 F CB 0.007 39.002 39.000 -0.008 0.000 1.019 289 F HN -0.105 nan 8.300 nan 0.000 0.489 290 S N -0.440 115.238 115.700 -0.037 0.000 2.388 290 S HA -0.054 4.415 4.470 -0.002 0.000 0.223 290 S C 1.651 176.068 174.600 -0.304 0.000 1.034 290 S CA 1.040 59.151 58.200 -0.148 0.000 0.963 290 S CB -0.104 63.070 63.200 -0.043 0.000 0.827 290 S HN 0.406 nan 8.310 nan 0.000 0.481 291 E N 0.210 120.121 120.200 -0.481 0.000 2.431 291 E HA 0.115 4.464 4.350 -0.002 0.000 0.200 291 E C -0.020 175.951 176.600 -1.050 0.000 0.995 291 E CA 0.479 56.427 56.400 -0.753 0.000 0.915 291 E CB 0.211 29.306 29.700 -1.009 0.000 0.930 291 E HN 0.544 nan 8.360 nan 0.000 0.496 292 H N -0.300 118.503 119.070 -0.445 0.000 2.924 292 H HA 0.096 4.651 4.556 -0.002 0.000 0.229 292 H C 1.154 176.363 175.328 -0.198 0.000 1.345 292 H CA -0.201 55.660 56.048 -0.312 0.000 1.044 292 H CB 0.150 29.682 29.762 -0.383 0.000 2.221 292 H HN 0.189 nan 8.280 nan 0.000 0.574 293 H N 1.855 120.772 119.070 -0.256 0.000 2.265 293 H HA -0.135 4.420 4.556 -0.002 0.000 0.293 293 H C 0.487 175.732 175.328 -0.139 0.000 1.089 293 H CA 1.943 57.825 56.048 -0.277 0.000 1.244 293 H CB 0.388 29.879 29.762 -0.452 0.000 1.355 293 H HN 0.317 nan 8.280 nan 0.000 0.485 294 D N 0.354 120.788 120.400 0.056 0.000 2.350 294 D HA -0.070 4.569 4.640 -0.002 0.000 0.216 294 D C 1.740 178.038 176.300 -0.003 0.000 0.968 294 D CA 0.557 54.581 54.000 0.039 0.000 0.894 294 D CB -0.209 40.628 40.800 0.062 0.000 0.909 294 D HN 0.628 nan 8.370 nan 0.000 0.520 295 E N -0.172 120.032 120.200 0.006 0.000 2.442 295 E HA 0.102 4.451 4.350 -0.002 0.000 0.195 295 E C 0.590 177.228 176.600 0.064 0.000 1.030 295 E CA -0.117 56.308 56.400 0.041 0.000 0.869 295 E CB 0.634 30.378 29.700 0.073 0.000 0.857 295 E HN 0.272 nan 8.360 nan 0.000 0.505 296 I N 1.862 122.448 120.570 0.026 0.000 2.634 296 I HA 0.045 4.214 4.170 -0.002 0.000 0.284 296 I C 0.612 176.763 176.117 0.056 0.000 1.124 296 I CA -0.678 60.675 61.300 0.088 0.000 1.417 296 I CB 0.736 38.723 38.000 -0.022 0.000 1.396 296 I HN -0.005 nan 8.210 nan 0.000 0.571 297 A N 7.998 130.881 122.820 0.104 0.000 2.561 297 A HA 0.102 4.421 4.320 -0.002 0.000 0.234 297 A C -1.457 176.145 177.584 0.029 0.000 1.055 297 A CA -0.746 51.324 52.037 0.055 0.000 0.756 297 A CB -0.401 18.632 19.000 0.054 0.000 0.986 297 A HN 0.602 nan 8.150 nan 0.000 0.505 298 P HA -0.265 nan 4.420 nan 0.000 0.219 298 P C 1.574 178.888 177.300 0.023 0.000 1.161 298 P CA 2.213 65.323 63.100 0.017 0.000 0.909 298 P CB -0.097 31.615 31.700 0.020 0.000 0.793 299 M N -2.353 117.264 119.600 0.029 0.000 2.132 299 M HA -0.114 4.365 4.480 -0.002 0.000 0.263 299 M C 2.121 178.441 176.300 0.033 0.000 1.065 299 M CA 1.450 56.771 55.300 0.034 0.000 1.122 299 M CB -0.932 31.691 32.600 0.039 0.000 1.365 299 M HN -0.050 nan 8.290 nan 0.000 0.411 300 L N 0.451 121.690 121.223 0.027 0.000 2.093 300 L HA -0.107 4.232 4.340 -0.002 0.000 0.208 300 L C 2.484 179.353 176.870 -0.002 0.000 1.085 300 L CA 1.775 56.621 54.840 0.009 0.000 0.755 300 L CB -0.699 41.366 42.059 0.009 0.000 0.904 300 L HN 0.174 nan 8.230 nan 0.000 0.435 301 R N -0.478 120.020 120.500 -0.003 0.000 2.083 301 R HA -0.183 4.156 4.340 -0.002 0.000 0.237 301 R C 2.128 178.457 176.300 0.049 0.000 1.137 301 R CA 1.550 57.632 56.100 -0.031 0.000 0.951 301 R CB -0.386 29.851 30.300 -0.104 0.000 0.851 301 R HN 0.529 nan 8.270 nan 0.000 0.434 302 A N 0.377 123.228 122.820 0.051 0.000 1.898 302 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 302 A C 2.182 179.814 177.584 0.080 0.000 1.181 302 A CA 1.884 53.968 52.037 0.077 0.000 0.620 302 A CB -0.612 18.424 19.000 0.059 0.000 0.819 302 A HN 0.606 nan 8.150 nan 0.000 0.442 303 S N 0.187 115.918 115.700 0.052 0.000 2.368 303 S HA -0.099 4.370 4.470 -0.002 0.000 0.225 303 S C 1.899 176.516 174.600 0.029 0.000 1.030 303 S CA 1.447 59.673 58.200 0.042 0.000 0.999 303 S CB -0.756 62.466 63.200 0.036 0.000 0.844 303 S HN 0.437 nan 8.310 nan 0.000 0.459 304 L N 1.472 122.683 121.223 -0.020 0.000 2.027 304 L HA -0.099 4.240 4.340 -0.002 0.000 0.206 304 L C 2.511 179.462 176.870 0.134 0.000 1.074 304 L CA 1.599 56.338 54.840 -0.167 0.000 0.745 304 L CB -0.782 41.066 42.059 -0.351 0.000 0.898 304 L HN 0.229 nan 8.230 nan 0.000 0.433 305 D N 0.317 120.888 120.400 0.285 0.000 2.149 305 D HA -0.170 4.469 4.640 -0.002 0.000 0.198 305 D C 2.070 178.495 176.300 0.209 0.000 0.990 305 D CA 1.515 55.733 54.000 0.364 0.000 0.839 305 D CB 0.034 41.030 40.800 0.326 0.000 0.948 305 D HN 0.323 nan 8.370 nan 0.000 0.460 306 A N -0.158 122.749 122.820 0.145 0.000 2.169 306 A HA 0.007 4.326 4.320 -0.002 0.000 0.212 306 A C 1.776 179.411 177.584 0.084 0.000 1.153 306 A CA 1.423 53.518 52.037 0.097 0.000 0.756 306 A CB -0.174 18.871 19.000 0.074 0.000 0.813 306 A HN 0.293 nan 8.150 nan 0.000 0.471 307 T N -4.114 110.516 114.554 0.125 0.000 3.132 307 T HA 0.230 4.579 4.350 -0.002 0.000 0.274 307 T C 1.168 175.848 174.700 -0.033 0.000 1.011 307 T CA 0.572 62.735 62.100 0.105 0.000 0.899 307 T CB 0.066 69.022 68.868 0.147 0.000 1.089 307 T HN -0.041 nan 8.240 nan 0.000 0.543 308 V N 1.812 121.637 119.914 -0.149 0.000 2.469 308 V HA -0.048 4.071 4.120 -0.002 0.000 0.251 308 V C 2.814 178.729 176.094 -0.298 0.000 1.064 308 V CA 2.216 64.207 62.300 -0.515 0.000 1.066 308 V CB -1.118 30.593 31.823 -0.186 0.000 0.667 308 V HN 0.704 nan 8.190 nan 0.000 0.461 309 G N -0.599 108.132 108.800 -0.115 0.000 2.744 309 G HA2 0.039 3.998 3.960 -0.002 0.000 0.211 309 G HA3 0.039 3.998 3.960 -0.002 0.000 0.211 309 G C 0.645 175.544 174.900 -0.000 0.000 1.143 309 G CA -0.322 44.750 45.100 -0.048 0.000 0.788 309 G HN 0.452 nan 8.290 nan 0.000 0.534 310 L N 2.380 123.619 121.223 0.026 0.000 2.578 310 L HA 0.117 4.456 4.340 -0.002 0.000 0.279 310 L C 1.213 178.208 176.870 0.208 0.000 1.227 310 L CA -0.014 54.902 54.840 0.127 0.000 0.900 310 L CB 0.195 42.394 42.059 0.234 0.000 1.144 310 L HN 0.162 nan 8.230 nan 0.000 0.496 311 T N 0.064 114.675 114.554 0.093 0.000 2.928 311 T HA 0.341 4.690 4.350 -0.002 0.000 0.284 311 T C -1.915 172.708 174.700 -0.129 0.000 1.008 311 T CA -2.057 60.082 62.100 0.065 0.000 1.057 311 T CB 1.830 70.707 68.868 0.014 0.000 1.018 311 T HN 0.285 nan 8.240 nan 0.000 0.493 312 P HA -0.048 nan 4.420 nan 0.000 0.218 312 P C 1.468 178.686 177.300 -0.137 0.000 1.148 312 P CA 0.890 63.874 63.100 -0.193 0.000 0.822 312 P CB 0.138 31.881 31.700 0.070 0.000 0.784 313 K N 0.805 121.156 120.400 -0.083 0.000 1.985 313 K HA -0.197 4.122 4.320 -0.002 0.000 0.210 313 K C 2.104 178.640 176.600 -0.107 0.000 1.047 313 K CA 1.853 58.096 56.287 -0.073 0.000 0.932 313 K CB -0.309 32.165 32.500 -0.043 0.000 0.716 313 K HN 0.163 nan 8.250 nan 0.000 0.439 314 E N -0.553 119.583 120.200 -0.106 0.000 2.204 314 E HA -0.252 4.097 4.350 -0.002 0.000 0.195 314 E C 2.030 178.541 176.600 -0.149 0.000 0.990 314 E CA 0.985 57.321 56.400 -0.107 0.000 0.821 314 E CB -0.579 29.078 29.700 -0.072 0.000 0.750 314 E HN 0.470 nan 8.360 nan 0.000 0.477 315 Y N 2.775 122.831 120.300 -0.408 0.000 2.145 315 Y HA -0.186 4.363 4.550 -0.001 0.000 0.286 315 Y C 1.689 177.389 175.900 -0.333 0.000 1.145 315 Y CA 2.054 59.839 58.100 -0.525 0.000 1.148 315 Y CB -0.251 37.495 38.460 -1.191 0.000 0.981 315 Y HN -0.065 nan 8.280 nan 0.000 0.507 316 D N 0.018 120.168 120.400 -0.417 0.000 2.117 316 D HA -0.180 4.459 4.640 -0.002 0.000 0.197 316 D C 2.001 178.119 176.300 -0.303 0.000 0.987 316 D CA 1.651 55.408 54.000 -0.405 0.000 0.829 316 D CB -0.315 40.365 40.800 -0.201 0.000 0.961 316 D HN 0.431 nan 8.370 nan 0.000 0.460 317 E N 1.083 121.153 120.200 -0.218 0.000 2.110 317 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 317 E C 1.868 178.358 176.600 -0.184 0.000 0.988 317 E CA 1.302 57.603 56.400 -0.165 0.000 0.804 317 E CB -0.272 29.356 29.700 -0.120 0.000 0.745 317 E HN 0.178 nan 8.360 nan 0.000 0.458 318 A N 0.666 123.353 122.820 -0.223 0.000 1.898 318 A HA -0.147 4.172 4.320 -0.002 0.000 0.216 318 A C 2.208 179.641 177.584 -0.252 0.000 1.181 318 A CA 1.533 53.442 52.037 -0.214 0.000 0.620 318 A CB -0.416 18.463 19.000 -0.202 0.000 0.819 318 A HN 0.190 nan 8.150 nan 0.000 0.442 319 R N -0.916 119.370 120.500 -0.357 0.000 2.096 319 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 319 R C 2.503 178.667 176.300 -0.227 0.000 1.127 319 R CA 1.416 57.317 56.100 -0.332 0.000 0.968 319 R CB -0.333 29.696 30.300 -0.451 0.000 0.861 319 R HN 0.600 nan 8.270 nan 0.000 0.440 320 R N 1.247 121.625 120.500 -0.203 0.000 2.081 320 R HA -0.108 4.231 4.340 -0.002 0.000 0.235 320 R C 2.148 178.372 176.300 -0.126 0.000 1.131 320 R CA 1.410 57.423 56.100 -0.144 0.000 0.960 320 R CB -0.231 29.993 30.300 -0.125 0.000 0.856 320 R HN 0.175 nan 8.270 nan 0.000 0.436 321 I N 0.335 120.826 120.570 -0.131 0.000 2.286 321 I HA -0.169 4.000 4.170 -0.002 0.000 0.248 321 I C 2.422 178.469 176.117 -0.116 0.000 1.115 321 I CA 1.360 62.593 61.300 -0.112 0.000 1.392 321 I CB -0.529 37.405 38.000 -0.109 0.000 1.065 321 I HN 0.434 nan 8.210 nan 0.000 0.418 322 G N 0.652 109.367 108.800 -0.142 0.000 2.404 322 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.215 322 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.215 322 G C 1.799 176.623 174.900 -0.126 0.000 1.174 322 G CA 0.307 45.321 45.100 -0.144 0.000 0.780 322 G HN 0.269 nan 8.290 nan 0.000 0.537 323 R N -0.193 120.232 120.500 -0.125 0.000 2.091 323 R HA -0.037 4.302 4.340 -0.002 0.000 0.238 323 R C 2.654 178.905 176.300 -0.082 0.000 1.136 323 R CA 1.330 57.367 56.100 -0.105 0.000 0.959 323 R CB -0.275 29.967 30.300 -0.097 0.000 0.856 323 R HN 0.274 nan 8.270 nan 0.000 0.437 324 R N 0.244 120.698 120.500 -0.077 0.000 2.081 324 R HA -0.100 4.239 4.340 -0.002 0.000 0.235 324 R C 2.297 178.568 176.300 -0.049 0.000 1.131 324 R CA 1.662 57.726 56.100 -0.059 0.000 0.960 324 R CB -0.513 29.750 30.300 -0.061 0.000 0.856 324 R HN 0.316 nan 8.270 nan 0.000 0.436 325 G N 0.308 109.071 108.800 -0.061 0.000 2.418 325 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.217 325 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.217 325 G C 1.310 176.200 174.900 -0.017 0.000 1.158 325 G CA 0.653 45.724 45.100 -0.048 0.000 0.771 325 G HN 0.300 nan 8.290 nan 0.000 0.545 326 R N -0.038 120.440 120.500 -0.036 0.000 2.080 326 R HA -0.013 4.326 4.340 -0.002 0.000 0.236 326 R C 2.815 179.120 176.300 0.008 0.000 1.137 326 R CA 1.205 57.293 56.100 -0.021 0.000 0.943 326 R CB -0.362 29.884 30.300 -0.089 0.000 0.846 326 R HN 0.260 nan 8.270 nan 0.000 0.431 327 R N 0.877 121.370 120.500 -0.013 0.000 2.094 327 R HA -0.172 4.167 4.340 -0.002 0.000 0.239 327 R C 2.162 178.484 176.300 0.037 0.000 1.137 327 R CA 1.725 57.828 56.100 0.004 0.000 0.943 327 R CB -0.269 30.024 30.300 -0.011 0.000 0.850 327 R HN 0.413 nan 8.270 nan 0.000 0.433 328 E N 0.442 120.660 120.200 0.031 0.000 2.268 328 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 328 E C 1.904 178.560 176.600 0.093 0.000 0.995 328 E CA 0.477 56.903 56.400 0.045 0.000 0.836 328 E CB -0.035 29.674 29.700 0.015 0.000 0.763 328 E HN 0.106 nan 8.360 nan 0.000 0.491 329 L N 0.701 122.002 121.223 0.130 0.000 2.093 329 L HA -0.020 4.319 4.340 -0.002 0.000 0.208 329 L C 2.166 179.248 176.870 0.354 0.000 1.085 329 L CA 2.024 57.008 54.840 0.240 0.000 0.755 329 L CB -0.863 41.373 42.059 0.295 0.000 0.904 329 L HN 0.055 nan 8.230 nan 0.000 0.435 330 G N -0.920 108.043 108.800 0.272 0.000 2.469 330 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.220 330 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.220 330 G C 1.420 176.488 174.900 0.280 0.000 1.136 330 G CA 0.931 46.202 45.100 0.285 0.000 0.759 330 G HN 0.563 nan 8.290 nan 0.000 0.562 331 E N -0.108 120.196 120.200 0.175 0.000 2.118 331 E HA -0.111 4.238 4.350 -0.002 0.000 0.195 331 E C 2.671 179.339 176.600 0.112 0.000 0.992 331 E CA 0.987 57.459 56.400 0.119 0.000 0.804 331 E CB -0.152 29.590 29.700 0.071 0.000 0.741 331 E HN 0.334 nan 8.360 nan 0.000 0.458 332 V N 0.542 120.521 119.914 0.108 0.000 2.469 332 V HA -0.225 3.894 4.120 -0.002 0.000 0.251 332 V C 1.454 177.481 176.094 -0.112 0.000 1.064 332 V CA 1.489 63.769 62.300 -0.033 0.000 1.066 332 V CB -0.474 31.276 31.823 -0.121 0.000 0.667 332 V HN 0.223 nan 8.190 nan 0.000 0.461 333 F N 0.181 120.172 119.950 0.067 0.000 2.725 333 F HA 0.133 4.659 4.527 -0.002 0.000 0.303 333 F C 1.912 177.732 175.800 0.033 0.000 1.167 333 F CA 0.202 58.236 58.000 0.055 0.000 1.403 333 F CB -0.521 38.521 39.000 0.069 0.000 1.077 333 F HN 0.249 nan 8.300 nan 0.000 0.537 334 E N -0.406 119.880 120.200 0.144 0.000 2.318 334 E HA 0.034 4.383 4.350 -0.002 0.000 0.193 334 E C 2.232 178.862 176.600 0.050 0.000 0.998 334 E CA 0.690 57.144 56.400 0.090 0.000 0.859 334 E CB 0.030 29.769 29.700 0.065 0.000 0.812 334 E HN 0.435 nan 8.360 nan 0.000 0.492 335 G N 0.542 109.360 108.800 0.030 0.000 3.228 335 G HA2 0.246 4.205 3.960 -0.002 0.000 0.245 335 G HA3 0.246 4.205 3.960 -0.002 0.000 0.245 335 G C 0.067 174.967 174.900 -0.001 0.000 1.051 335 G CA -0.078 45.026 45.100 0.008 0.000 0.809 335 G HN -0.037 nan 8.290 nan 0.000 0.531 336 V N 0.395 120.313 119.914 0.007 0.000 2.971 336 V HA 0.304 4.423 4.120 -0.002 0.000 0.309 336 V C -0.183 175.975 176.094 0.106 0.000 1.130 336 V CA -0.726 61.577 62.300 0.006 0.000 0.964 336 V CB 2.303 34.080 31.823 -0.077 0.000 1.029 336 V HN 0.057 nan 8.190 nan 0.000 0.427 337 D N 1.195 121.679 120.400 0.139 0.000 2.183 337 D HA 0.048 4.687 4.640 -0.002 0.000 0.205 337 D C 0.447 177.004 176.300 0.428 0.000 0.962 337 D CA 1.539 55.702 54.000 0.270 0.000 0.849 337 D CB 0.904 41.921 40.800 0.361 0.000 0.978 337 D HN 0.506 nan 8.370 nan 0.000 0.488 338 V N -2.250 117.819 119.914 0.258 0.000 3.188 338 V HA 0.525 4.644 4.120 -0.002 0.000 0.305 338 V C -1.081 175.035 176.094 0.036 0.000 1.232 338 V CA -1.164 61.269 62.300 0.222 0.000 1.043 338 V CB 2.404 34.270 31.823 0.072 0.000 1.068 338 V HN -0.151 nan 8.190 nan 0.000 0.439 339 L N 2.182 123.400 121.223 -0.009 0.000 2.331 339 L HA 0.719 5.058 4.340 -0.002 0.000 0.275 339 L C -0.985 175.798 176.870 -0.145 0.000 1.022 339 L CA -0.786 53.970 54.840 -0.140 0.000 0.812 339 L CB 1.842 43.764 42.059 -0.228 0.000 1.257 339 L HN 0.645 nan 8.230 nan 0.000 0.435 340 L N 1.645 122.780 121.223 -0.146 0.000 2.349 340 L HA 0.707 5.046 4.340 -0.002 0.000 0.278 340 L C -0.359 176.389 176.870 -0.204 0.000 0.996 340 L CA 0.447 55.197 54.840 -0.151 0.000 0.825 340 L CB 1.818 43.814 42.059 -0.104 0.000 1.243 340 L HN 0.666 nan 8.230 nan 0.000 0.412 341 T N 2.448 116.866 114.554 -0.227 0.000 2.647 341 T HA 0.523 4.872 4.350 -0.002 0.000 0.295 341 T C -1.030 173.519 174.700 -0.252 0.000 1.126 341 T CA -0.379 61.550 62.100 -0.286 0.000 1.040 341 T CB 0.432 69.231 68.868 -0.116 0.000 1.472 341 T HN 0.300 nan 8.240 nan 0.000 0.500 342 Y N 0.732 120.996 120.300 -0.061 0.000 2.326 342 Y HA 0.334 4.882 4.550 -0.002 0.000 0.333 342 Y C 1.823 177.709 175.900 -0.023 0.000 1.240 342 Y CA -0.175 57.855 58.100 -0.116 0.000 1.365 342 Y CB 0.879 39.130 38.460 -0.348 0.000 1.289 342 Y HN 0.485 nan 8.280 nan 0.000 0.548 343 S N 0.503 116.289 115.700 0.145 0.000 2.502 343 S HA 0.477 4.946 4.470 -0.002 0.000 0.215 343 S C 0.147 174.807 174.600 0.101 0.000 1.009 343 S CA 0.332 58.593 58.200 0.102 0.000 0.908 343 S CB 0.286 63.513 63.200 0.045 0.000 0.801 343 S HN 0.725 nan 8.310 nan 0.000 0.505 344 A N 0.801 123.678 122.820 0.094 0.000 2.586 344 A HA 0.639 4.958 4.320 -0.002 0.000 0.290 344 A C -2.721 174.891 177.584 0.047 0.000 1.086 344 A CA -0.977 51.129 52.037 0.115 0.000 0.665 344 A CB -0.044 18.989 19.000 0.055 0.000 1.279 344 A HN -0.076 nan 8.150 nan 0.000 0.423 345 P HA 0.180 nan 4.420 nan 0.000 0.223 345 P C 0.819 178.095 177.300 -0.040 0.000 1.151 345 P CA 1.913 65.056 63.100 0.072 0.000 0.787 345 P CB 0.274 32.126 31.700 0.254 0.000 0.788 346 G N -2.216 106.627 108.800 0.071 0.000 2.452 346 G HA2 0.216 4.175 3.960 -0.002 0.000 0.224 346 G HA3 0.216 4.175 3.960 -0.002 0.000 0.224 346 G C -0.955 174.001 174.900 0.092 0.000 1.208 346 G CA -0.094 45.023 45.100 0.028 0.000 0.946 346 G HN 0.026 nan 8.290 nan 0.000 0.481 347 T N -0.446 114.101 114.554 -0.012 0.000 2.813 347 T HA 0.603 4.952 4.350 -0.002 0.000 0.297 347 T C 0.896 175.411 174.700 -0.309 0.000 1.036 347 T CA 0.668 62.707 62.100 -0.102 0.000 1.044 347 T CB 1.109 69.895 68.868 -0.136 0.000 0.993 347 T HN 1.987 nan 8.240 nan 0.000 0.535 348 A N 2.875 125.340 122.820 -0.591 0.000 2.546 348 A HA 0.422 4.741 4.320 -0.002 0.000 0.243 348 A C -2.121 175.291 177.584 -0.287 0.000 1.063 348 A CA -1.054 50.392 52.037 -0.985 0.000 0.757 348 A CB -0.997 17.616 19.000 -0.645 0.000 0.991 348 A HN 0.691 nan 8.150 nan 0.000 0.503 349 P HA 0.270 nan 4.420 nan 0.000 0.269 349 P C -0.053 177.236 177.300 -0.018 0.000 1.215 349 P CA 0.212 63.291 63.100 -0.034 0.000 0.780 349 P CB 0.647 32.335 31.700 -0.020 0.000 0.898 350 A N 2.936 125.662 122.820 -0.157 0.000 2.462 350 A HA 0.043 4.362 4.320 -0.002 0.000 0.243 350 A C 1.460 178.915 177.584 -0.216 0.000 1.076 350 A CA 0.052 51.805 52.037 -0.472 0.000 0.773 350 A CB 0.041 18.804 19.000 -0.394 0.000 1.010 350 A HN 0.447 nan 8.150 nan 0.000 0.493 351 K N 2.006 122.288 120.400 -0.197 0.000 2.113 351 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 351 K C 2.135 178.698 176.600 -0.062 0.000 1.047 351 K CA 1.630 57.868 56.287 -0.081 0.000 0.928 351 K CB -0.733 31.735 32.500 -0.052 0.000 0.716 351 K HN 0.837 nan 8.250 nan 0.000 0.446 352 A N 1.305 124.074 122.820 -0.085 0.000 2.084 352 A HA -0.133 4.186 4.320 -0.002 0.000 0.221 352 A C 2.113 179.676 177.584 -0.035 0.000 1.161 352 A CA 1.163 53.168 52.037 -0.054 0.000 0.653 352 A CB -0.585 18.378 19.000 -0.062 0.000 0.802 352 A HN 0.231 nan 8.150 nan 0.000 0.457 353 L N -1.674 119.526 121.223 -0.038 0.000 2.552 353 L HA 0.112 4.451 4.340 -0.002 0.000 0.227 353 L C 1.572 178.444 176.870 0.004 0.000 1.146 353 L CA 0.338 55.170 54.840 -0.014 0.000 0.858 353 L CB -0.546 41.506 42.059 -0.011 0.000 0.969 353 L HN 0.542 nan 8.230 nan 0.000 0.451 354 A N 0.532 123.354 122.820 0.003 0.000 2.687 354 A HA -0.203 4.116 4.320 -0.002 0.000 0.299 354 A C 0.524 178.128 177.584 0.033 0.000 1.497 354 A CA 0.946 52.993 52.037 0.017 0.000 0.751 354 A CB -1.746 17.263 19.000 0.015 0.000 1.048 354 A HN 0.404 nan 8.150 nan 0.000 0.464 355 S N -1.209 114.516 115.700 0.043 0.000 2.548 355 S HA 0.663 5.132 4.470 -0.002 0.000 0.276 355 S C 0.868 175.530 174.600 0.103 0.000 1.129 355 S CA 0.631 58.873 58.200 0.070 0.000 0.931 355 S CB 1.491 64.734 63.200 0.071 0.000 1.068 355 S HN 1.509 nan 8.310 nan 0.000 0.480 356 T N 0.806 115.439 114.554 0.132 0.000 3.129 356 T HA 0.538 4.887 4.350 -0.002 0.000 0.251 356 T C 1.045 175.930 174.700 0.308 0.000 1.117 356 T CA 0.415 62.631 62.100 0.194 0.000 1.034 356 T CB -0.678 68.281 68.868 0.152 0.000 0.968 356 T HN 1.802 nan 8.240 nan 0.000 0.526 357 G N 0.881 109.836 108.800 0.258 0.000 2.650 357 G HA2 0.028 3.987 3.960 -0.002 0.000 0.686 357 G HA3 0.028 3.987 3.960 -0.002 0.000 0.686 357 G C -1.360 173.661 174.900 0.202 0.000 1.205 357 G CA -0.659 44.632 45.100 0.318 0.000 0.781 357 G HN 0.384 nan 8.290 nan 0.000 0.648 358 D N 1.370 121.885 120.400 0.191 0.000 2.317 358 D HA 0.491 5.130 4.640 -0.002 0.000 0.252 358 D C -1.086 175.289 176.300 0.126 0.000 1.174 358 D CA -1.985 52.096 54.000 0.135 0.000 0.866 358 D CB 1.540 42.416 40.800 0.127 0.000 1.127 358 D HN 0.056 nan 8.370 nan 0.000 0.467 359 P HA 0.043 nan 4.420 nan 0.000 0.253 359 P C 0.993 178.320 177.300 0.044 0.000 1.260 359 P CA 0.155 63.292 63.100 0.062 0.000 0.800 359 P CB 0.009 31.726 31.700 0.028 0.000 1.162 360 R N -0.664 119.845 120.500 0.016 0.000 2.170 360 R HA -0.186 4.153 4.340 -0.002 0.000 0.242 360 R C 0.810 177.097 176.300 -0.020 0.000 1.145 360 R CA 1.660 57.770 56.100 0.015 0.000 0.984 360 R CB -1.532 28.723 30.300 -0.074 0.000 0.869 360 R HN 0.234 nan 8.270 nan 0.000 0.455 361 Y N 0.440 120.878 120.300 0.230 0.000 2.461 361 Y HA 0.243 4.792 4.550 -0.001 0.000 0.277 361 Y C 1.344 177.452 175.900 0.346 0.000 1.182 361 Y CA -0.150 58.104 58.100 0.257 0.000 1.276 361 Y CB 0.246 38.835 38.460 0.215 0.000 1.087 361 Y HN 0.186 nan 8.280 nan 0.000 0.519 362 N N -0.079 118.823 118.700 0.337 0.000 2.557 362 N HA -0.014 4.725 4.740 -0.002 0.000 0.217 362 N C 1.962 177.586 175.510 0.190 0.000 1.062 362 N CA 0.348 53.599 53.050 0.336 0.000 0.863 362 N CB -0.200 38.407 38.487 0.201 0.000 1.390 362 N HN 0.354 nan 8.380 nan 0.000 0.445 363 R N 1.680 122.152 120.500 -0.047 0.000 2.113 363 R HA -0.137 4.202 4.340 -0.002 0.000 0.244 363 R C 2.066 178.178 176.300 -0.314 0.000 1.142 363 R CA 1.392 57.244 56.100 -0.412 0.000 0.953 363 R CB -0.963 28.738 30.300 -1.000 0.000 0.860 363 R HN 0.108 nan 8.270 nan 0.000 0.438 364 L N 0.834 121.919 121.223 -0.231 0.000 2.013 364 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 364 L C 2.017 178.680 176.870 -0.344 0.000 1.073 364 L CA 1.779 56.416 54.840 -0.340 0.000 0.753 364 L CB -0.732 40.997 42.059 -0.550 0.000 0.890 364 L HN 0.345 nan 8.230 nan 0.000 0.432 365 W N -0.687 120.705 121.300 0.153 0.000 2.392 365 W HA -0.100 4.559 4.660 -0.001 0.000 0.279 365 W C 2.328 178.918 176.519 0.117 0.000 1.225 365 W CA 1.000 58.432 57.345 0.145 0.000 1.233 365 W CB -1.119 28.433 29.460 0.153 0.000 1.122 365 W HN 0.087 nan 8.180 nan 0.000 0.561 366 T N 0.956 115.649 114.554 0.232 0.000 2.857 366 T HA -0.151 4.198 4.350 -0.002 0.000 0.266 366 T C 1.730 176.466 174.700 0.059 0.000 1.048 366 T CA 1.085 63.292 62.100 0.178 0.000 1.139 366 T CB -0.411 68.558 68.868 0.168 0.000 0.874 366 T HN 0.006 nan 8.240 nan 0.000 0.455 367 L N 0.675 121.918 121.223 0.034 0.000 2.131 367 L HA 0.171 4.510 4.340 -0.002 0.000 0.206 367 L C 2.045 178.845 176.870 -0.117 0.000 1.087 367 L CA 1.488 56.274 54.840 -0.091 0.000 0.767 367 L CB -0.608 41.425 42.059 -0.043 0.000 0.917 367 L HN 0.104 nan 8.230 nan 0.000 0.441 368 M N -0.748 118.848 119.600 -0.006 0.000 2.254 368 M HA 0.135 4.614 4.480 -0.002 0.000 0.265 368 M C 1.877 178.228 176.300 0.085 0.000 1.066 368 M CA 1.198 56.524 55.300 0.043 0.000 1.123 368 M CB -1.478 31.227 32.600 0.175 0.000 1.388 368 M HN 0.492 nan 8.290 nan 0.000 0.425 369 G N 0.472 109.379 108.800 0.178 0.000 2.217 369 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.246 369 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.246 369 G C 0.097 175.322 174.900 0.542 0.000 0.990 369 G CA 0.300 45.619 45.100 0.366 0.000 0.627 369 G HN 0.489 nan 8.290 nan 0.000 0.522 370 N N 2.672 121.642 118.700 0.450 0.000 2.395 370 N HA 0.409 5.148 4.740 -0.002 0.000 0.246 370 N C -2.077 173.559 175.510 0.209 0.000 1.246 370 N CA -0.076 53.170 53.050 0.327 0.000 0.879 370 N CB 0.602 39.270 38.487 0.301 0.000 1.098 370 N HN 0.277 nan 8.380 nan 0.000 0.444 371 P HA 0.146 nan 4.420 nan 0.000 0.276 371 P C -0.783 176.538 177.300 0.034 0.000 1.235 371 P CA -0.215 62.916 63.100 0.052 0.000 0.772 371 P CB 0.501 32.208 31.700 0.012 0.000 0.871 372 C N 3.288 122.602 119.300 0.023 0.000 2.498 372 C HA 0.600 5.059 4.460 -0.002 0.000 0.316 372 C C 0.038 175.002 174.990 -0.044 0.000 1.209 372 C CA -0.462 58.540 59.018 -0.027 0.000 1.518 372 C CB 1.617 29.353 27.740 -0.007 0.000 2.147 372 C HN 0.349 nan 8.230 nan 0.000 0.483 373 V N 2.928 122.806 119.914 -0.060 0.000 2.588 373 V HA 0.428 4.547 4.120 -0.002 0.000 0.304 373 V C -0.385 175.673 176.094 -0.059 0.000 1.042 373 V CA -0.436 61.827 62.300 -0.061 0.000 0.877 373 V CB 1.983 33.781 31.823 -0.042 0.000 0.996 373 V HN 0.877 nan 8.190 nan 0.000 0.425 374 N N 3.132 121.796 118.700 -0.061 0.000 2.455 374 N HA 0.510 5.249 4.740 -0.002 0.000 0.280 374 N C -1.092 174.400 175.510 -0.030 0.000 1.055 374 N CA -0.171 52.856 53.050 -0.039 0.000 0.961 374 N CB 1.579 40.050 38.487 -0.028 0.000 1.121 374 N HN 0.420 nan 8.380 nan 0.000 0.476 375 V N 5.451 125.352 119.914 -0.021 0.000 2.376 375 V HA 0.425 4.544 4.120 -0.002 0.000 0.287 375 V C -2.176 173.910 176.094 -0.014 0.000 1.015 375 V CA -1.779 60.510 62.300 -0.018 0.000 0.834 375 V CB 1.488 33.302 31.823 -0.016 0.000 1.001 375 V HN 0.751 nan 8.190 nan 0.000 0.428 376 P HA 0.153 nan 4.420 nan 0.000 0.267 376 P C 0.414 177.701 177.300 -0.023 0.000 1.205 376 P CA 0.347 63.438 63.100 -0.014 0.000 0.765 376 P CB 1.242 32.935 31.700 -0.012 0.000 0.828 377 V N 3.493 123.392 119.914 -0.025 0.000 2.854 377 V HA 0.183 4.302 4.120 -0.002 0.000 0.236 377 V C 0.679 176.753 176.094 -0.034 0.000 1.157 377 V CA 1.037 63.320 62.300 -0.029 0.000 1.187 377 V CB -0.251 31.559 31.823 -0.022 0.000 0.949 377 V HN 0.418 nan 8.190 nan 0.000 0.488 378 L N -1.527 119.673 121.223 -0.038 0.000 2.963 378 L HA 0.668 5.007 4.340 -0.002 0.000 0.273 378 L C -1.674 175.157 176.870 -0.065 0.000 1.078 378 L CA -0.873 53.939 54.840 -0.046 0.000 0.970 378 L CB 1.479 43.516 42.059 -0.036 0.000 1.564 378 L HN 0.043 nan 8.230 nan 0.000 0.381 379 K N 0.314 120.672 120.400 -0.069 0.000 2.427 379 K HA 0.790 5.109 4.320 -0.002 0.000 0.252 379 K C -1.426 175.132 176.600 -0.070 0.000 0.931 379 K CA -0.769 55.463 56.287 -0.091 0.000 0.793 379 K CB 2.989 35.422 32.500 -0.112 0.000 1.211 379 K HN 0.407 nan 8.250 nan 0.000 0.426 380 V N 1.778 121.645 119.914 -0.077 0.000 2.378 380 V HA 0.409 4.528 4.120 -0.002 0.000 0.288 380 V C 0.845 176.892 176.094 -0.078 0.000 1.016 380 V CA -0.204 62.058 62.300 -0.064 0.000 0.840 380 V CB 1.009 32.799 31.823 -0.055 0.000 0.994 380 V HN 1.081 nan 8.190 nan 0.000 0.431 381 G N 3.730 112.494 108.800 -0.061 0.000 2.179 381 G HA2 0.015 3.974 3.960 -0.002 0.000 0.257 381 G HA3 0.015 3.974 3.960 -0.002 0.000 0.257 381 G C 1.142 175.996 174.900 -0.078 0.000 1.010 381 G CA 0.648 45.711 45.100 -0.061 0.000 0.736 381 G HN 2.269 nan 8.290 nan 0.000 0.513 382 G N -2.288 106.467 108.800 -0.074 0.000 2.176 382 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.253 382 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.253 382 G C 0.236 175.068 174.900 -0.114 0.000 0.979 382 G CA 0.495 45.554 45.100 -0.069 0.000 0.641 382 G HN 1.246 nan 8.290 nan 0.000 0.530 383 L N 1.071 122.198 121.223 -0.161 0.000 2.282 383 L HA 0.456 4.795 4.340 -0.002 0.000 0.288 383 L C -2.005 174.751 176.870 -0.189 0.000 1.033 383 L CA -1.912 52.804 54.840 -0.206 0.000 0.807 383 L CB 1.001 42.896 42.059 -0.274 0.000 1.209 383 L HN -0.135 nan 8.230 nan 0.000 0.423 384 P HA 0.204 nan 4.420 nan 0.000 0.269 384 P C -0.620 176.647 177.300 -0.054 0.000 1.209 384 P CA 0.048 63.036 63.100 -0.187 0.000 0.776 384 P CB 0.830 32.373 31.700 -0.261 0.000 0.876 385 I N 1.755 122.305 120.570 -0.034 0.000 2.569 385 I HA 0.542 4.711 4.170 -0.002 0.000 0.290 385 I C 0.559 176.683 176.117 0.012 0.000 1.088 385 I CA -0.150 61.157 61.300 0.012 0.000 1.047 385 I CB 1.723 39.722 38.000 -0.002 0.000 1.237 385 I HN 0.448 nan 8.210 nan 0.000 0.421 386 G N 4.584 113.404 108.800 0.034 0.000 2.818 386 G HA2 0.799 4.758 3.960 -0.002 0.000 0.286 386 G HA3 0.799 4.758 3.960 -0.002 0.000 0.286 386 G C -1.047 173.867 174.900 0.023 0.000 1.364 386 G CA -0.526 44.586 45.100 0.019 0.000 0.938 386 G HN 0.494 nan 8.290 nan 0.000 0.490 387 V N -2.639 117.276 119.914 0.001 0.000 3.001 387 V HA 0.799 4.918 4.120 -0.002 0.000 0.314 387 V C -0.641 175.434 176.094 -0.032 0.000 1.099 387 V CA -1.059 61.231 62.300 -0.017 0.000 0.989 387 V CB 1.688 33.486 31.823 -0.042 0.000 1.040 387 V HN 0.839 nan 8.190 nan 0.000 0.434 388 Q N 1.447 121.211 119.800 -0.060 0.000 2.348 388 Q HA 0.661 5.000 4.340 -0.002 0.000 0.265 388 Q C -1.610 174.307 176.000 -0.138 0.000 0.998 388 Q CA -0.593 55.156 55.803 -0.090 0.000 0.831 388 Q CB 2.002 30.685 28.738 -0.091 0.000 1.251 388 Q HN 0.811 nan 8.270 nan 0.000 0.456 389 V N 6.487 126.335 119.914 -0.108 0.000 2.383 389 V HA 0.424 4.543 4.120 -0.002 0.000 0.275 389 V C -0.117 175.905 176.094 -0.120 0.000 1.036 389 V CA -0.327 61.914 62.300 -0.099 0.000 0.889 389 V CB 1.053 32.847 31.823 -0.049 0.000 0.985 389 V HN 0.711 nan 8.190 nan 0.000 0.459 390 I N 4.217 124.708 120.570 -0.131 0.000 2.498 390 I HA 0.791 4.960 4.170 -0.002 0.000 0.290 390 I C 0.226 176.419 176.117 0.126 0.000 1.032 390 I CA -0.434 60.809 61.300 -0.094 0.000 1.073 390 I CB 1.936 39.729 38.000 -0.344 0.000 1.251 390 I HN 0.668 nan 8.210 nan 0.000 0.426 391 A N 5.974 128.852 122.820 0.097 0.000 2.347 391 A HA 0.751 5.070 4.320 -0.002 0.000 0.301 391 A C -0.135 177.240 177.584 -0.350 0.000 1.163 391 A CA -0.799 51.295 52.037 0.095 0.000 0.860 391 A CB 0.967 20.025 19.000 0.097 0.000 1.367 391 A HN 0.708 nan 8.150 nan 0.000 0.461 392 R N -0.669 119.413 120.500 -0.696 0.000 2.734 392 R HA 0.127 4.466 4.340 -0.002 0.000 0.266 392 R C -0.402 175.728 176.300 -0.282 0.000 1.044 392 R CA 0.006 55.590 56.100 -0.861 0.000 1.128 392 R CB 0.134 30.122 30.300 -0.520 0.000 1.010 392 R HN 0.589 nan 8.270 nan 0.000 0.461 393 F N 1.104 120.898 119.950 -0.261 0.000 2.629 393 F HA 0.068 4.595 4.527 -0.000 0.000 0.377 393 F C 1.405 177.169 175.800 -0.060 0.000 1.101 393 F CA 1.821 59.773 58.000 -0.079 0.000 1.301 393 F CB 0.420 39.409 39.000 -0.019 0.000 1.062 393 F HN 0.812 nan 8.300 nan 0.000 0.583 394 G N 3.767 112.131 108.800 -0.727 0.000 2.184 394 G HA2 -0.382 3.577 3.960 -0.002 0.000 0.264 394 G HA3 -0.382 3.577 3.960 -0.002 0.000 0.264 394 G C 0.383 175.143 174.900 -0.234 0.000 0.975 394 G CA 0.427 45.243 45.100 -0.472 0.000 0.642 394 G HN 0.740 nan 8.290 nan 0.000 0.536 395 N N 0.712 119.308 118.700 -0.174 0.000 2.635 395 N HA 0.418 5.157 4.740 -0.002 0.000 0.307 395 N C 0.981 176.475 175.510 -0.026 0.000 1.433 395 N CA 0.193 53.190 53.050 -0.089 0.000 0.973 395 N CB 0.321 38.773 38.487 -0.058 0.000 1.304 395 N HN 0.304 nan 8.380 nan 0.000 0.507 396 D N 0.127 120.505 120.400 -0.037 0.000 2.123 396 D HA -0.174 4.465 4.640 -0.002 0.000 0.196 396 D C 1.880 178.267 176.300 0.145 0.000 0.992 396 D CA 1.278 55.330 54.000 0.086 0.000 0.833 396 D CB 0.029 40.972 40.800 0.238 0.000 0.954 396 D HN 0.392 nan 8.370 nan 0.000 0.455 397 A N 0.306 123.149 122.820 0.038 0.000 1.883 397 A HA -0.273 4.046 4.320 -0.002 0.000 0.217 397 A C 2.061 179.721 177.584 0.128 0.000 1.186 397 A CA 2.026 54.103 52.037 0.066 0.000 0.624 397 A CB -0.955 17.985 19.000 -0.101 0.000 0.822 397 A HN 0.353 nan 8.150 nan 0.000 0.444 398 H N 0.005 119.077 119.070 0.004 0.000 2.387 398 H HA 0.069 4.624 4.556 -0.002 0.000 0.299 398 H C 2.154 177.511 175.328 0.048 0.000 1.090 398 H CA 1.619 57.676 56.048 0.016 0.000 1.332 398 H CB -0.335 29.422 29.762 -0.009 0.000 1.386 398 H HN 0.387 nan 8.280 nan 0.000 0.516 399 A N 0.486 123.303 122.820 -0.005 0.000 1.902 399 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 399 A C 2.565 180.142 177.584 -0.012 0.000 1.181 399 A CA 1.590 53.598 52.037 -0.048 0.000 0.623 399 A CB -0.884 18.121 19.000 0.008 0.000 0.818 399 A HN 0.468 nan 8.150 nan 0.000 0.443 400 L N -0.943 120.319 121.223 0.065 0.000 2.056 400 L HA -0.160 4.179 4.340 -0.002 0.000 0.207 400 L C 3.101 180.078 176.870 0.178 0.000 1.078 400 L CA 0.982 55.890 54.840 0.113 0.000 0.749 400 L CB -0.547 41.610 42.059 0.163 0.000 0.901 400 L HN 0.439 nan 8.230 nan 0.000 0.433 401 A N -0.393 122.518 122.820 0.152 0.000 1.902 401 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 401 A C 2.353 180.013 177.584 0.127 0.000 1.181 401 A CA 2.312 54.451 52.037 0.170 0.000 0.623 401 A CB -0.856 18.206 19.000 0.104 0.000 0.818 401 A HN 0.380 nan 8.150 nan 0.000 0.443 402 T N 0.131 114.664 114.554 -0.034 0.000 2.857 402 T HA 0.076 4.425 4.350 -0.002 0.000 0.266 402 T C 2.199 177.006 174.700 0.180 0.000 1.048 402 T CA 1.277 63.374 62.100 -0.006 0.000 1.139 402 T CB -0.353 68.377 68.868 -0.231 0.000 0.874 402 T HN 0.575 nan 8.240 nan 0.000 0.455 403 A N 1.037 123.930 122.820 0.121 0.000 1.902 403 A HA -0.106 4.213 4.320 -0.002 0.000 0.217 403 A C 2.094 179.798 177.584 0.201 0.000 1.181 403 A CA 1.167 53.275 52.037 0.118 0.000 0.623 403 A CB -0.938 18.095 19.000 0.055 0.000 0.818 403 A HN 0.632 nan 8.150 nan 0.000 0.443 404 W N 0.154 121.479 121.300 0.041 0.000 2.358 404 W HA -0.190 4.469 4.660 -0.002 0.000 0.303 404 W C 1.907 178.455 176.519 0.049 0.000 1.208 404 W CA 1.284 58.651 57.345 0.037 0.000 1.274 404 W CB -1.049 28.440 29.460 0.049 0.000 1.138 404 W HN 0.446 nan 8.180 nan 0.000 0.515 405 F N 0.855 120.916 119.950 0.186 0.000 2.095 405 F HA -0.234 4.293 4.527 -0.002 0.000 0.298 405 F C 2.366 178.205 175.800 0.064 0.000 1.104 405 F CA 2.358 60.389 58.000 0.052 0.000 1.232 405 F CB -1.055 37.942 39.000 -0.004 0.000 0.987 405 F HN -0.149 nan 8.300 nan 0.000 0.475 406 L N 0.297 121.456 121.223 -0.107 0.000 2.046 406 L HA -0.215 4.124 4.340 -0.002 0.000 0.208 406 L C 2.379 179.144 176.870 -0.176 0.000 1.077 406 L CA 1.865 56.564 54.840 -0.234 0.000 0.747 406 L CB -0.536 41.525 42.059 0.004 0.000 0.896 406 L HN 0.265 nan 8.230 nan 0.000 0.432 407 E N -0.225 119.955 120.200 -0.034 0.000 2.058 407 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 407 E C 1.738 178.323 176.600 -0.026 0.000 0.997 407 E CA 1.601 57.996 56.400 -0.007 0.000 0.801 407 E CB -0.137 29.591 29.700 0.047 0.000 0.746 407 E HN 0.549 nan 8.360 nan 0.000 0.450 408 D N 0.358 120.757 120.400 -0.002 0.000 2.144 408 D HA -0.105 4.534 4.640 -0.002 0.000 0.199 408 D C 1.851 178.064 176.300 -0.145 0.000 0.984 408 D CA 1.155 55.136 54.000 -0.031 0.000 0.834 408 D CB -0.219 40.580 40.800 -0.001 0.000 0.955 408 D HN 0.165 nan 8.370 nan 0.000 0.465 409 A N 0.523 123.154 122.820 -0.315 0.000 1.930 409 A HA -0.088 4.231 4.320 -0.002 0.000 0.217 409 A C 2.348 179.822 177.584 -0.182 0.000 1.175 409 A CA 0.773 52.608 52.037 -0.337 0.000 0.627 409 A CB -0.605 18.029 19.000 -0.611 0.000 0.815 409 A HN 0.195 nan 8.150 nan 0.000 0.443 410 L N -0.992 120.143 121.223 -0.148 0.000 2.109 410 L HA -0.097 4.242 4.340 -0.002 0.000 0.207 410 L C 2.933 179.766 176.870 -0.061 0.000 1.086 410 L CA 0.884 55.671 54.840 -0.088 0.000 0.760 410 L CB -0.438 41.578 42.059 -0.071 0.000 0.910 410 L HN 0.404 nan 8.230 nan 0.000 0.437 411 A N -0.862 121.926 122.820 -0.052 0.000 2.172 411 A HA -0.074 4.245 4.320 -0.002 0.000 0.216 411 A C 0.784 178.350 177.584 -0.030 0.000 1.154 411 A CA 0.434 52.453 52.037 -0.030 0.000 0.701 411 A CB -0.172 18.820 19.000 -0.013 0.000 0.789 411 A HN 0.323 nan 8.150 nan 0.000 0.465 412 K N 0.000 120.373 120.400 -0.046 0.000 2.780 412 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 412 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 412 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543