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 2wtz_1_B DATA FIRST_RESID 26 DATA SEQUENCE LRPNAVVGVR LAALADQVGA ALAEGPAQRA VTEDRTVTGV TLRAQDVSPG DATA SEQUENCE DLFAALTGST THGARHVGDA IARGAVAVLT DPAGVAEIAG RAAVPVLVHP DATA SEQUENCE APRGVLGGLA ATVYGHPSER LTVIGITGTS GKTTTTYLVE AGLRAAGRVA DATA SEQUENCE GLIGTIGIRV GGADLPSALT TPEAPTLQAM LAAMVERGVD TVVMEVSSHA DATA SEQUENCE LALGRVDGTR FAVGAFTNLS RDHLDFHPSM ADYFEAXASL FDPDSALRAR DATA SEQUENCE TAVVCIDDDA GRAMAARAAD AITVSAADRP AHWRATDVAP TDAGGQQFTA DATA SEQUENCE IDPAGVGHHI GIRLPGRYNV ANCLVALAIL DTVGVSPEQA VPGLREIRVP DATA SEQUENCE GRLEQIDRGQ GFLALVDYAH KPEALRSVLT TLAHPDRRLA VVFGAGGDRD DATA SEQUENCE PGKRAPMGRI AAQLADLVVV TDDNPRDEDP TAIRREILAG AAEVGGDAQV DATA SEQUENCE VEIADRRDAI RHAVAWARPG DVVLIAGKGH ETGQRGGGRV RPFDDRVELA DATA SEQUENCE AALEALER 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.832 176.870 -0.064 0.000 1.165 26 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 26 L CB 0.000 42.026 42.059 -0.056 0.000 0.961 27 R N 3.684 124.156 120.500 -0.048 0.000 2.686 27 R HA 0.884 5.223 4.340 -0.002 0.000 0.283 27 R C -2.726 173.559 176.300 -0.024 0.000 0.978 27 R CA -1.624 54.450 56.100 -0.045 0.000 0.897 27 R CB 2.038 32.333 30.300 -0.008 0.000 1.192 27 R HN 0.188 nan 8.270 nan 0.000 0.457 28 P HA 0.190 nan 4.420 nan 0.000 0.277 28 P C -0.980 176.345 177.300 0.041 0.000 1.240 28 P CA -0.271 62.840 63.100 0.018 0.000 0.798 28 P CB 0.827 32.555 31.700 0.046 0.000 0.979 29 N N 0.596 119.313 118.700 0.028 0.000 2.235 29 N HA 0.296 5.035 4.740 -0.002 0.000 0.231 29 N C -0.062 175.462 175.510 0.024 0.000 1.177 29 N CA -0.597 52.468 53.050 0.026 0.000 0.874 29 N CB 0.670 39.165 38.487 0.014 0.000 1.097 29 N HN 0.326 nan 8.380 nan 0.000 0.518 30 A N 1.038 123.876 122.820 0.030 0.000 3.365 30 A HA 0.258 4.577 4.320 -0.002 0.000 0.258 30 A C -0.436 177.165 177.584 0.028 0.000 0.964 30 A CA -0.480 51.570 52.037 0.022 0.000 0.988 30 A CB 0.213 19.222 19.000 0.015 0.000 1.193 30 A HN 0.182 nan 8.150 nan 0.000 0.508 31 V N 1.637 121.571 119.914 0.033 0.000 2.383 31 V HA 0.629 4.748 4.120 -0.002 0.000 0.275 31 V C 0.185 176.271 176.094 -0.012 0.000 1.036 31 V CA -0.326 61.986 62.300 0.020 0.000 0.889 31 V CB 1.122 32.963 31.823 0.031 0.000 0.985 31 V HN 0.847 nan 8.190 nan 0.000 0.459 32 V N 5.191 125.095 119.914 -0.017 0.000 2.686 32 V HA 0.756 4.875 4.120 -0.002 0.000 0.295 32 V C 1.135 177.199 176.094 -0.050 0.000 1.055 32 V CA 0.310 62.595 62.300 -0.025 0.000 1.050 32 V CB 0.211 32.025 31.823 -0.015 0.000 0.984 32 V HN 1.081 nan 8.190 nan 0.000 0.482 33 G N 2.585 111.356 108.800 -0.049 0.000 2.486 33 G HA2 0.498 4.457 3.960 -0.002 0.000 0.272 33 G HA3 0.498 4.457 3.960 -0.002 0.000 0.272 33 G C -0.561 174.299 174.900 -0.066 0.000 1.426 33 G CA -0.318 44.741 45.100 -0.068 0.000 1.058 33 G HN 1.186 nan 8.290 nan 0.000 0.531 34 V N 0.085 119.959 119.914 -0.065 0.000 2.752 34 V HA 0.302 4.421 4.120 -0.002 0.000 0.302 34 V C -0.234 175.837 176.094 -0.039 0.000 1.133 34 V CA -0.956 61.314 62.300 -0.051 0.000 0.919 34 V CB 1.850 33.632 31.823 -0.067 0.000 1.026 34 V HN 0.912 nan 8.190 nan 0.000 0.429 35 R N 3.335 123.821 120.500 -0.024 0.000 2.640 35 R HA 0.141 4.480 4.340 -0.002 0.000 0.270 35 R C 1.090 177.380 176.300 -0.017 0.000 1.024 35 R CA -0.483 55.606 56.100 -0.017 0.000 1.085 35 R CB 0.402 30.696 30.300 -0.010 0.000 0.963 35 R HN 0.605 nan 8.270 nan 0.000 0.426 36 L N 3.499 124.714 121.223 -0.013 0.000 2.079 36 L HA -0.185 4.154 4.340 -0.002 0.000 0.210 36 L C 2.262 179.130 176.870 -0.003 0.000 1.081 36 L CA 2.370 57.204 54.840 -0.009 0.000 0.752 36 L CB -0.795 41.262 42.059 -0.003 0.000 0.896 36 L HN 0.931 nan 8.230 nan 0.000 0.433 37 A N -0.622 122.197 122.820 -0.000 0.000 1.940 37 A HA -0.128 4.191 4.320 -0.002 0.000 0.219 37 A C 2.461 180.047 177.584 0.005 0.000 1.176 37 A CA 1.814 53.853 52.037 0.004 0.000 0.631 37 A CB -1.082 17.920 19.000 0.004 0.000 0.814 37 A HN 0.587 nan 8.150 nan 0.000 0.446 38 A N -0.517 122.303 122.820 0.001 0.000 1.858 38 A HA -0.012 4.306 4.320 -0.002 0.000 0.216 38 A C 2.023 179.609 177.584 0.003 0.000 1.190 38 A CA 1.716 53.755 52.037 0.002 0.000 0.617 38 A CB -0.612 18.387 19.000 -0.002 0.000 0.827 38 A HN 0.389 nan 8.150 nan 0.000 0.443 39 L N -0.233 120.987 121.223 -0.005 0.000 1.989 39 L HA -0.181 4.158 4.340 -0.002 0.000 0.211 39 L C 3.052 179.926 176.870 0.006 0.000 1.071 39 L CA 2.065 56.901 54.840 -0.008 0.000 0.749 39 L CB -1.413 40.633 42.059 -0.021 0.000 0.890 39 L HN 0.432 nan 8.230 nan 0.000 0.431 40 A N -0.649 122.177 122.820 0.011 0.000 1.903 40 A HA -0.283 4.036 4.320 -0.002 0.000 0.219 40 A C 2.044 179.647 177.584 0.032 0.000 1.191 40 A CA 2.186 54.237 52.037 0.024 0.000 0.638 40 A CB -0.840 18.173 19.000 0.021 0.000 0.823 40 A HN 0.469 nan 8.150 nan 0.000 0.451 41 D N -1.032 119.382 120.400 0.024 0.000 2.104 41 D HA -0.197 4.441 4.640 -0.002 0.000 0.194 41 D C 2.051 178.370 176.300 0.032 0.000 0.994 41 D CA 1.615 55.630 54.000 0.025 0.000 0.830 41 D CB -0.519 40.291 40.800 0.018 0.000 0.959 41 D HN 0.724 nan 8.370 nan 0.000 0.452 42 Q N 0.103 119.919 119.800 0.028 0.000 2.152 42 Q HA -0.133 4.206 4.340 -0.002 0.000 0.206 42 Q C 1.532 177.557 176.000 0.042 0.000 0.985 42 Q CA 1.090 56.910 55.803 0.029 0.000 0.863 42 Q CB 0.155 28.905 28.738 0.020 0.000 0.904 42 Q HN 0.103 nan 8.270 nan 0.000 0.422 43 V N -0.724 119.222 119.914 0.054 0.000 3.528 43 V HA 0.219 4.338 4.120 -0.002 0.000 0.294 43 V C 0.654 176.867 176.094 0.198 0.000 1.404 43 V CA 0.773 63.126 62.300 0.089 0.000 1.065 43 V CB 0.625 32.453 31.823 0.008 0.000 0.904 43 V HN 0.591 nan 8.190 nan 0.000 0.435 44 G N 1.473 110.343 108.800 0.116 0.000 2.305 44 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.287 44 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.287 44 G C 0.309 175.259 174.900 0.084 0.000 1.036 44 G CA 0.437 45.586 45.100 0.083 0.000 0.887 44 G HN 1.104 nan 8.290 nan 0.000 0.505 45 A N -0.530 122.358 122.820 0.114 0.000 2.351 45 A HA 0.857 5.176 4.320 -0.002 0.000 0.257 45 A C 0.873 178.483 177.584 0.044 0.000 1.087 45 A CA 0.730 52.829 52.037 0.104 0.000 0.798 45 A CB 0.760 19.828 19.000 0.114 0.000 1.033 45 A HN 2.113 nan 8.150 nan 0.000 0.488 46 A N 1.252 124.089 122.820 0.028 0.000 2.304 46 A HA 0.607 4.926 4.320 -0.002 0.000 0.301 46 A C -0.483 177.113 177.584 0.021 0.000 1.132 46 A CA -0.486 51.560 52.037 0.015 0.000 0.819 46 A CB 0.205 19.205 19.000 0.001 0.000 1.094 46 A HN 0.682 nan 8.150 nan 0.000 0.492 47 L N 1.864 123.097 121.223 0.016 0.000 2.305 47 L HA 0.404 4.743 4.340 -0.002 0.000 0.281 47 L C 1.641 178.518 176.870 0.013 0.000 1.085 47 L CA 0.688 55.537 54.840 0.016 0.000 0.813 47 L CB 0.683 42.750 42.059 0.014 0.000 1.157 47 L HN 0.887 nan 8.230 nan 0.000 0.436 48 A N 3.013 125.842 122.820 0.015 0.000 1.978 48 A HA -0.109 4.210 4.320 -0.002 0.000 0.220 48 A C 1.618 179.207 177.584 0.009 0.000 1.170 48 A CA 1.411 53.455 52.037 0.012 0.000 0.636 48 A CB -0.188 18.820 19.000 0.014 0.000 0.810 48 A HN 0.764 nan 8.150 nan 0.000 0.448 49 E N -1.165 119.041 120.200 0.010 0.000 2.452 49 E HA 0.317 4.666 4.350 -0.002 0.000 0.197 49 E C 1.069 177.673 176.600 0.007 0.000 1.022 49 E CA 0.701 57.105 56.400 0.008 0.000 0.890 49 E CB -0.106 29.600 29.700 0.009 0.000 0.918 49 E HN 0.757 nan 8.360 nan 0.000 0.496 50 G N 2.724 111.528 108.800 0.007 0.000 2.756 50 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.678 50 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.678 50 G C -2.629 172.275 174.900 0.006 0.000 1.349 50 G CA -0.788 44.315 45.100 0.006 0.000 0.847 50 G HN -0.085 nan 8.290 nan 0.000 0.548 51 P HA 0.357 nan 4.420 nan 0.000 0.252 51 P C 0.648 177.951 177.300 0.004 0.000 1.183 51 P CA 1.668 64.771 63.100 0.005 0.000 0.973 51 P CB 0.285 31.988 31.700 0.004 0.000 0.990 52 A N 3.437 126.260 122.820 0.005 0.000 2.422 52 A HA -0.075 4.244 4.320 -0.002 0.000 0.219 52 A C 1.406 178.993 177.584 0.005 0.000 2.882 52 A CA -0.073 51.967 52.037 0.005 0.000 1.556 52 A CB -1.179 17.823 19.000 0.004 0.000 0.203 52 A HN 0.441 nan 8.150 nan 0.000 0.539 53 Q N 0.254 120.058 119.800 0.006 0.000 2.282 53 Q HA 0.124 4.463 4.340 -0.002 0.000 0.206 53 Q C 1.453 177.457 176.000 0.008 0.000 0.878 53 Q CA -0.048 55.759 55.803 0.007 0.000 0.944 53 Q CB 0.056 28.799 28.738 0.009 0.000 1.100 53 Q HN 0.703 nan 8.270 nan 0.000 0.509 54 R N -0.587 119.917 120.500 0.007 0.000 2.189 54 R HA -0.023 4.315 4.340 -0.002 0.000 0.223 54 R C 1.889 178.193 176.300 0.006 0.000 1.092 54 R CA 0.979 57.083 56.100 0.007 0.000 0.989 54 R CB -0.134 30.171 30.300 0.007 0.000 0.876 54 R HN 0.122 nan 8.270 nan 0.000 0.457 55 A N 1.248 124.072 122.820 0.005 0.000 2.014 55 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 55 A C 2.247 179.833 177.584 0.004 0.000 1.163 55 A CA 1.099 53.139 52.037 0.004 0.000 0.652 55 A CB -0.348 18.654 19.000 0.004 0.000 0.808 55 A HN 0.207 nan 8.150 nan 0.000 0.449 56 V N -0.445 119.472 119.914 0.005 0.000 2.667 56 V HA -0.119 4.000 4.120 -0.002 0.000 0.252 56 V C 2.099 178.197 176.094 0.005 0.000 1.065 56 V CA 2.865 65.168 62.300 0.005 0.000 1.083 56 V CB -0.972 30.855 31.823 0.006 0.000 0.692 56 V HN 0.533 nan 8.190 nan 0.000 0.468 57 T N 0.600 115.158 114.554 0.006 0.000 2.821 57 T HA -0.036 4.313 4.350 -0.002 0.000 0.267 57 T C 2.060 176.762 174.700 0.003 0.000 1.046 57 T CA 1.796 63.900 62.100 0.006 0.000 1.139 57 T CB -0.509 68.364 68.868 0.008 0.000 0.871 57 T HN 0.819 nan 8.240 nan 0.000 0.454 58 E N 1.509 121.711 120.200 0.003 0.000 2.409 58 E HA -0.129 4.220 4.350 -0.002 0.000 0.198 58 E C 1.758 178.358 176.600 0.000 0.000 1.024 58 E CA 1.068 57.469 56.400 0.002 0.000 0.861 58 E CB -0.485 29.217 29.700 0.002 0.000 0.788 58 E HN 0.458 nan 8.360 nan 0.000 0.521 59 D N -0.722 119.679 120.400 0.001 0.000 2.338 59 D HA 0.008 4.647 4.640 -0.002 0.000 0.224 59 D C 0.597 176.896 176.300 -0.002 0.000 0.967 59 D CA 0.077 54.077 54.000 -0.000 0.000 0.896 59 D CB 0.179 40.979 40.800 0.001 0.000 1.028 59 D HN 0.143 nan 8.370 nan 0.000 0.493 60 R N 0.557 121.056 120.500 -0.001 0.000 2.594 60 R HA 0.283 4.622 4.340 -0.002 0.000 0.272 60 R C -0.159 176.136 176.300 -0.009 0.000 1.074 60 R CA 0.273 56.371 56.100 -0.003 0.000 1.105 60 R CB 0.501 30.802 30.300 0.001 0.000 1.008 60 R HN -0.002 nan 8.270 nan 0.000 0.472 61 T N 1.525 116.071 114.554 -0.013 0.000 2.807 61 T HA 0.308 4.657 4.350 -0.002 0.000 0.279 61 T C -0.243 174.439 174.700 -0.030 0.000 0.993 61 T CA -0.583 61.503 62.100 -0.022 0.000 0.970 61 T CB 1.896 70.751 68.868 -0.022 0.000 0.950 61 T HN 0.158 nan 8.240 nan 0.000 0.441 62 V N 3.961 123.847 119.914 -0.046 0.000 2.370 62 V HA 0.375 4.494 4.120 -0.002 0.000 0.279 62 V C 1.258 177.289 176.094 -0.105 0.000 1.029 62 V CA -0.464 61.797 62.300 -0.064 0.000 0.870 62 V CB 1.122 32.904 31.823 -0.068 0.000 0.984 62 V HN 1.150 nan 8.190 nan 0.000 0.451 63 T N 0.235 114.728 114.554 -0.101 0.000 3.084 63 T HA 0.549 4.897 4.350 -0.002 0.000 0.270 63 T C 0.460 175.049 174.700 -0.185 0.000 1.008 63 T CA 0.270 62.292 62.100 -0.130 0.000 0.900 63 T CB 0.419 69.249 68.868 -0.063 0.000 1.084 63 T HN 1.014 nan 8.240 nan 0.000 0.538 64 G N 0.163 108.843 108.800 -0.200 0.000 2.547 64 G HA2 0.531 4.489 3.960 -0.002 0.000 0.291 64 G HA3 0.531 4.489 3.960 -0.002 0.000 0.291 64 G C -2.118 172.737 174.900 -0.074 0.000 1.471 64 G CA -0.592 44.410 45.100 -0.163 0.000 0.798 64 G HN 0.283 nan 8.290 nan 0.000 0.504 65 V N -0.071 119.895 119.914 0.087 0.000 2.709 65 V HA 0.883 5.002 4.120 -0.002 0.000 0.308 65 V C -0.087 176.112 176.094 0.175 0.000 1.062 65 V CA -0.502 61.867 62.300 0.114 0.000 0.901 65 V CB 1.852 33.727 31.823 0.088 0.000 1.003 65 V HN 1.133 nan 8.190 nan 0.000 0.425 66 T N 3.638 118.291 114.554 0.165 0.000 2.894 66 T HA 0.533 4.882 4.350 -0.002 0.000 0.309 66 T C -0.229 174.615 174.700 0.240 0.000 1.208 66 T CA -0.472 61.733 62.100 0.175 0.000 1.016 66 T CB 1.686 70.645 68.868 0.153 0.000 1.192 66 T HN 0.822 nan 8.240 nan 0.000 0.491 67 L N 2.027 123.359 121.223 0.182 0.000 2.965 67 L HA 0.673 5.012 4.340 -0.002 0.000 0.254 67 L C 0.288 177.325 176.870 0.279 0.000 1.220 67 L CA -0.673 54.258 54.840 0.151 0.000 1.023 67 L CB 0.068 42.140 42.059 0.022 0.000 1.355 67 L HN 0.418 nan 8.230 nan 0.000 0.545 68 R N 0.228 120.917 120.500 0.314 0.000 2.514 68 R HA 0.602 4.941 4.340 -0.002 0.000 0.296 68 R C 0.763 177.065 176.300 0.004 0.000 1.012 68 R CA 0.394 56.603 56.100 0.182 0.000 0.897 68 R CB 1.932 32.261 30.300 0.047 0.000 1.184 68 R HN 0.155 nan 8.270 nan 0.000 0.440 69 A N 3.189 125.871 122.820 -0.230 0.000 1.940 69 A HA -0.202 4.117 4.320 -0.002 0.000 0.219 69 A C 1.459 178.864 177.584 -0.299 0.000 1.176 69 A CA 1.445 53.100 52.037 -0.638 0.000 0.631 69 A CB -0.168 18.500 19.000 -0.553 0.000 0.814 69 A HN 0.813 nan 8.150 nan 0.000 0.446 70 Q N -0.275 119.429 119.800 -0.161 0.000 2.435 70 Q HA -0.026 4.313 4.340 -0.002 0.000 0.207 70 Q C 0.692 176.651 176.000 -0.068 0.000 0.956 70 Q CA 1.132 56.879 55.803 -0.093 0.000 0.917 70 Q CB 0.051 28.753 28.738 -0.061 0.000 0.997 70 Q HN 0.586 nan 8.270 nan 0.000 0.497 71 D N -0.698 119.665 120.400 -0.061 0.000 2.350 71 D HA -0.016 4.623 4.640 -0.002 0.000 0.213 71 D C 0.167 176.455 176.300 -0.020 0.000 1.031 71 D CA 0.094 54.078 54.000 -0.026 0.000 0.861 71 D CB 0.248 41.048 40.800 0.001 0.000 0.926 71 D HN 0.166 nan 8.370 nan 0.000 0.520 72 V N -0.370 119.511 119.914 -0.054 0.000 2.673 72 V HA 0.271 4.390 4.120 -0.002 0.000 0.303 72 V C 0.288 176.372 176.094 -0.016 0.000 1.046 72 V CA -0.134 62.148 62.300 -0.029 0.000 1.126 72 V CB 1.248 33.033 31.823 -0.064 0.000 0.934 72 V HN -0.112 nan 8.190 nan 0.000 0.487 73 S N 5.596 121.301 115.700 0.008 0.000 2.578 73 S HA 0.682 5.151 4.470 -0.002 0.000 0.301 73 S C -2.692 171.912 174.600 0.008 0.000 1.091 73 S CA -1.346 56.859 58.200 0.008 0.000 1.032 73 S CB 1.838 65.051 63.200 0.021 0.000 1.064 73 S HN 0.858 nan 8.310 nan 0.000 0.508 74 P HA 0.249 nan 4.420 nan 0.000 0.264 74 P C 0.564 177.866 177.300 0.003 0.000 1.193 74 P CA 0.880 63.981 63.100 0.002 0.000 0.763 74 P CB 0.387 32.087 31.700 -0.000 0.000 0.810 75 G N 1.768 110.570 108.800 0.004 0.000 2.184 75 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.206 75 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.206 75 G C -0.132 174.766 174.900 -0.004 0.000 0.995 75 G CA -0.473 44.625 45.100 -0.003 0.000 0.651 75 G HN 0.465 nan 8.290 nan 0.000 0.511 76 D N 0.263 120.672 120.400 0.014 0.000 2.313 76 D HA 0.453 5.091 4.640 -0.002 0.000 0.247 76 D C 0.633 176.964 176.300 0.051 0.000 1.094 76 D CA -0.335 53.683 54.000 0.029 0.000 0.925 76 D CB 1.157 41.992 40.800 0.060 0.000 1.188 76 D HN 0.184 nan 8.370 nan 0.000 0.430 77 L N 2.500 123.752 121.223 0.049 0.000 2.290 77 L HA 0.309 4.648 4.340 -0.002 0.000 0.284 77 L C -0.718 176.252 176.870 0.166 0.000 1.078 77 L CA -0.575 54.310 54.840 0.074 0.000 0.815 77 L CB 0.352 42.423 42.059 0.021 0.000 1.162 77 L HN 0.341 nan 8.230 nan 0.000 0.435 78 F N 4.907 124.866 119.950 0.015 0.000 2.391 78 F HA 0.488 5.014 4.527 -0.001 0.000 0.359 78 F C 0.350 176.168 175.800 0.030 0.000 1.122 78 F CA -0.895 57.120 58.000 0.026 0.000 1.120 78 F CB 1.157 40.178 39.000 0.035 0.000 1.142 78 F HN 0.585 nan 8.300 nan 0.000 0.483 79 A N 5.949 128.559 122.820 -0.350 0.000 2.415 79 A HA 0.584 4.903 4.320 -0.002 0.000 0.309 79 A C 0.024 177.051 177.584 -0.928 0.000 1.356 79 A CA -0.247 51.514 52.037 -0.459 0.000 0.998 79 A CB -0.434 18.445 19.000 -0.202 0.000 1.145 79 A HN 0.974 nan 8.150 nan 0.000 0.545 80 A N 4.452 126.731 122.820 -0.901 0.000 2.539 80 A HA 0.554 4.873 4.320 -0.002 0.000 0.306 80 A C 0.101 177.547 177.584 -0.230 0.000 1.392 80 A CA -0.162 51.496 52.037 -0.633 0.000 1.060 80 A CB -0.396 18.440 19.000 -0.274 0.000 1.134 80 A HN 0.800 nan 8.150 nan 0.000 0.542 81 L N 1.643 122.699 121.223 -0.278 0.000 2.352 81 L HA 0.537 4.875 4.340 -0.002 0.000 0.269 81 L C 1.082 177.548 176.870 -0.672 0.000 1.034 81 L CA -0.712 53.940 54.840 -0.314 0.000 0.806 81 L CB 1.839 43.781 42.059 -0.195 0.000 1.244 81 L HN 0.685 nan 8.230 nan 0.000 0.447 82 T N -0.600 113.558 114.554 -0.660 0.000 2.889 82 T HA 0.678 5.027 4.350 -0.002 0.000 0.291 82 T C -0.069 174.501 174.700 -0.217 0.000 0.995 82 T CA -0.220 61.522 62.100 -0.597 0.000 1.092 82 T CB 1.492 70.218 68.868 -0.237 0.000 0.954 82 T HN 0.785 nan 8.240 nan 0.000 0.506 83 G N 1.092 109.821 108.800 -0.118 0.000 2.866 83 G HA2 0.480 4.439 3.960 -0.002 0.000 0.289 83 G HA3 0.480 4.439 3.960 -0.002 0.000 0.289 83 G C 0.565 175.471 174.900 0.010 0.000 1.396 83 G CA -0.442 44.637 45.100 -0.035 0.000 0.848 83 G HN 0.630 nan 8.290 nan 0.000 0.515 84 S N -1.184 114.535 115.700 0.032 0.000 2.423 84 S HA -0.089 4.380 4.470 -0.002 0.000 0.231 84 S C 2.186 176.812 174.600 0.044 0.000 1.014 84 S CA 1.962 60.189 58.200 0.045 0.000 0.965 84 S CB -0.012 63.223 63.200 0.059 0.000 0.785 84 S HN 0.874 nan 8.310 nan 0.000 0.495 85 T N -1.098 113.481 114.554 0.042 0.000 2.955 85 T HA 0.235 4.583 4.350 -0.002 0.000 0.251 85 T C 0.519 175.259 174.700 0.067 0.000 1.002 85 T CA 0.957 63.086 62.100 0.049 0.000 0.970 85 T CB 0.429 69.322 68.868 0.042 0.000 1.091 85 T HN 0.360 nan 8.240 nan 0.000 0.495 86 T N -0.358 114.241 114.554 0.075 0.000 2.653 86 T HA 0.321 4.670 4.350 -0.002 0.000 0.306 86 T C -2.314 172.468 174.700 0.136 0.000 1.426 86 T CA -0.661 61.512 62.100 0.122 0.000 1.008 86 T CB 1.220 70.186 68.868 0.163 0.000 1.692 86 T HN 0.175 nan 8.240 nan 0.000 0.483 87 H N -0.374 118.762 119.070 0.110 0.000 2.547 87 H HA 0.459 5.014 4.556 -0.002 0.000 0.342 87 H C 1.325 176.760 175.328 0.179 0.000 1.048 87 H CA 0.403 56.514 56.048 0.104 0.000 1.204 87 H CB 1.581 31.386 29.762 0.072 0.000 1.493 87 H HN 0.904 nan 8.280 nan 0.000 0.511 88 G N 2.930 111.885 108.800 0.258 0.000 2.479 88 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.220 88 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.220 88 G C 1.472 176.688 174.900 0.526 0.000 1.115 88 G CA 0.723 46.052 45.100 0.382 0.000 0.757 88 G HN 0.658 nan 8.290 nan 0.000 0.560 89 A N 0.748 123.897 122.820 0.548 0.000 2.070 89 A HA 0.021 4.340 4.320 -0.002 0.000 0.220 89 A C 2.355 180.066 177.584 0.212 0.000 1.159 89 A CA 1.228 53.435 52.037 0.283 0.000 0.656 89 A CB -0.303 18.699 19.000 0.002 0.000 0.800 89 A HN 0.389 nan 8.150 nan 0.000 0.453 90 R N -0.839 119.780 120.500 0.199 0.000 2.285 90 R HA -0.039 4.300 4.340 -0.002 0.000 0.213 90 R C 0.615 176.843 176.300 -0.121 0.000 1.068 90 R CA 1.047 57.154 56.100 0.011 0.000 1.004 90 R CB -0.190 30.078 30.300 -0.053 0.000 0.873 90 R HN 0.669 nan 8.270 nan 0.000 0.467 91 H N -0.961 118.219 119.070 0.184 0.000 2.528 91 H HA 0.138 4.693 4.556 -0.002 0.000 0.282 91 H C 1.433 176.802 175.328 0.069 0.000 1.097 91 H CA -0.097 56.016 56.048 0.109 0.000 1.121 91 H CB 0.796 30.619 29.762 0.101 0.000 1.590 91 H HN -0.035 nan 8.280 nan 0.000 0.553 92 V N 0.555 120.626 119.914 0.261 0.000 2.343 92 V HA -0.196 3.923 4.120 -0.002 0.000 0.247 92 V C 2.692 178.827 176.094 0.067 0.000 1.051 92 V CA 2.076 64.511 62.300 0.225 0.000 1.036 92 V CB -0.710 31.255 31.823 0.236 0.000 0.654 92 V HN 0.558 nan 8.190 nan 0.000 0.451 93 G N -0.354 108.469 108.800 0.038 0.000 2.476 93 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.218 93 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.218 93 G C 1.348 176.236 174.900 -0.020 0.000 1.164 93 G CA 1.370 46.473 45.100 0.006 0.000 0.768 93 G HN 0.554 nan 8.290 nan 0.000 0.560 94 D N 0.601 120.982 120.400 -0.033 0.000 2.097 94 D HA 0.050 4.689 4.640 -0.002 0.000 0.197 94 D C 2.774 178.998 176.300 -0.126 0.000 0.984 94 D CA 1.423 55.387 54.000 -0.059 0.000 0.826 94 D CB -0.482 40.302 40.800 -0.027 0.000 0.973 94 D HN 0.235 nan 8.370 nan 0.000 0.460 95 A N 0.485 123.162 122.820 -0.239 0.000 1.892 95 A HA -0.179 4.140 4.320 -0.002 0.000 0.218 95 A C 2.511 180.022 177.584 -0.121 0.000 1.188 95 A CA 1.565 53.412 52.037 -0.317 0.000 0.631 95 A CB -0.981 17.646 19.000 -0.621 0.000 0.822 95 A HN 0.386 nan 8.150 nan 0.000 0.447 96 I N -0.316 120.222 120.570 -0.053 0.000 2.208 96 I HA -0.313 3.855 4.170 -0.002 0.000 0.245 96 I C 2.869 178.974 176.117 -0.020 0.000 1.097 96 I CA 1.194 62.488 61.300 -0.010 0.000 1.363 96 I CB -0.303 37.705 38.000 0.014 0.000 1.051 96 I HN 0.379 nan 8.210 nan 0.000 0.413 97 A N 0.541 123.342 122.820 -0.030 0.000 2.066 97 A HA -0.100 4.219 4.320 -0.002 0.000 0.218 97 A C 2.193 179.760 177.584 -0.029 0.000 1.157 97 A CA 0.993 53.015 52.037 -0.025 0.000 0.670 97 A CB -0.407 18.579 19.000 -0.024 0.000 0.804 97 A HN 0.365 nan 8.150 nan 0.000 0.453 98 R N -1.420 119.054 120.500 -0.045 0.000 2.310 98 R HA 0.240 4.579 4.340 -0.002 0.000 0.202 98 R C 1.139 177.422 176.300 -0.028 0.000 0.933 98 R CA 0.553 56.629 56.100 -0.041 0.000 1.054 98 R CB 0.113 30.376 30.300 -0.061 0.000 0.985 98 R HN 0.613 nan 8.270 nan 0.000 0.489 99 G N 0.222 109.009 108.800 -0.021 0.000 2.192 99 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.193 99 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.193 99 G C 0.264 175.165 174.900 0.001 0.000 0.999 99 G CA -0.281 44.814 45.100 -0.008 0.000 0.659 99 G HN 0.444 nan 8.290 nan 0.000 0.503 100 A N 0.616 123.437 122.820 0.002 0.000 2.584 100 A HA 0.487 4.806 4.320 -0.002 0.000 0.239 100 A C 1.868 179.473 177.584 0.036 0.000 1.043 100 A CA 1.089 53.145 52.037 0.031 0.000 0.756 100 A CB 0.349 19.383 19.000 0.057 0.000 0.963 100 A HN 1.638 nan 8.150 nan 0.000 0.511 101 V N -0.061 119.874 119.914 0.035 0.000 2.951 101 V HA 0.479 4.598 4.120 -0.002 0.000 0.255 101 V C 0.886 177.002 176.094 0.037 0.000 1.088 101 V CA 1.182 63.498 62.300 0.027 0.000 1.109 101 V CB -1.715 30.116 31.823 0.013 0.000 0.724 101 V HN 1.863 nan 8.190 nan 0.000 0.471 102 A N -1.046 121.808 122.820 0.057 0.000 2.566 102 A HA 0.776 5.095 4.320 -0.002 0.000 0.290 102 A C -1.338 176.304 177.584 0.097 0.000 1.071 102 A CA -0.262 51.812 52.037 0.062 0.000 0.658 102 A CB 1.647 20.669 19.000 0.038 0.000 1.285 102 A HN 0.387 nan 8.150 nan 0.000 0.427 103 V N 1.115 121.078 119.914 0.082 0.000 2.709 103 V HA 0.588 4.707 4.120 -0.002 0.000 0.308 103 V C -0.872 175.234 176.094 0.020 0.000 1.062 103 V CA -0.572 61.777 62.300 0.082 0.000 0.901 103 V CB 1.793 33.686 31.823 0.117 0.000 1.003 103 V HN 0.812 nan 8.190 nan 0.000 0.425 104 L N 4.152 125.354 121.223 -0.035 0.000 2.319 104 L HA 0.764 5.102 4.340 -0.002 0.000 0.281 104 L C -0.464 176.365 176.870 -0.067 0.000 1.005 104 L CA 0.472 55.289 54.840 -0.040 0.000 0.828 104 L CB 1.492 43.519 42.059 -0.053 0.000 1.227 104 L HN 0.883 nan 8.230 nan 0.000 0.415 105 T N 2.185 116.737 114.554 -0.004 0.000 2.696 105 T HA 0.513 4.862 4.350 -0.002 0.000 0.291 105 T C -1.241 173.504 174.700 0.074 0.000 1.095 105 T CA -0.428 61.690 62.100 0.031 0.000 1.026 105 T CB 1.686 70.587 68.868 0.056 0.000 1.390 105 T HN 0.741 nan 8.240 nan 0.000 0.513 106 D N 0.265 120.732 120.400 0.112 0.000 2.487 106 D HA 0.465 5.104 4.640 -0.002 0.000 0.262 106 D C -1.985 174.358 176.300 0.071 0.000 1.130 106 D CA -1.755 52.307 54.000 0.104 0.000 1.038 106 D CB -0.237 40.636 40.800 0.122 0.000 1.142 106 D HN 0.136 nan 8.370 nan 0.000 0.575 107 P HA -0.142 nan 4.420 nan 0.000 0.216 107 P C 1.157 178.462 177.300 0.008 0.000 1.150 107 P CA 2.307 65.420 63.100 0.023 0.000 0.843 107 P CB -0.084 31.627 31.700 0.018 0.000 0.787 108 A N -0.329 122.510 122.820 0.031 0.000 1.930 108 A HA -0.059 4.260 4.320 -0.002 0.000 0.217 108 A C 2.482 179.945 177.584 -0.201 0.000 1.175 108 A CA 1.926 53.949 52.037 -0.025 0.000 0.627 108 A CB -1.825 17.219 19.000 0.073 0.000 0.815 108 A HN 0.272 nan 8.150 nan 0.000 0.443 109 G N 0.089 108.778 108.800 -0.185 0.000 2.440 109 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.218 109 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.218 109 G C 1.617 176.438 174.900 -0.131 0.000 1.154 109 G CA 2.027 46.965 45.100 -0.270 0.000 0.767 109 G HN 1.011 nan 8.290 nan 0.000 0.552 110 V N -0.956 118.923 119.914 -0.057 0.000 2.515 110 V HA 0.130 4.249 4.120 -0.002 0.000 0.250 110 V C 2.922 178.989 176.094 -0.045 0.000 1.058 110 V CA 1.742 64.022 62.300 -0.033 0.000 1.064 110 V CB -1.007 30.809 31.823 -0.010 0.000 0.675 110 V HN 0.405 nan 8.190 nan 0.000 0.461 111 A N 0.494 123.277 122.820 -0.061 0.000 1.877 111 A HA -0.167 4.152 4.320 -0.002 0.000 0.216 111 A C 2.219 179.762 177.584 -0.068 0.000 1.186 111 A CA 1.845 53.848 52.037 -0.056 0.000 0.620 111 A CB -0.572 18.397 19.000 -0.053 0.000 0.822 111 A HN 0.596 nan 8.150 nan 0.000 0.443 112 E N -0.078 120.053 120.200 -0.115 0.000 2.110 112 E HA -0.131 4.218 4.350 -0.002 0.000 0.193 112 E C 1.929 178.494 176.600 -0.057 0.000 0.988 112 E CA 1.104 57.443 56.400 -0.102 0.000 0.804 112 E CB -0.370 29.229 29.700 -0.168 0.000 0.745 112 E HN 0.746 nan 8.360 nan 0.000 0.458 113 I N 0.815 121.357 120.570 -0.047 0.000 2.676 113 I HA -0.165 4.004 4.170 -0.002 0.000 0.259 113 I C 1.592 177.702 176.117 -0.011 0.000 1.194 113 I CA 0.479 61.771 61.300 -0.013 0.000 1.473 113 I CB -0.386 37.616 38.000 0.004 0.000 1.096 113 I HN -0.014 nan 8.210 nan 0.000 0.443 114 A N 0.820 123.628 122.820 -0.019 0.000 5.391 114 A HA -0.271 4.048 4.320 -0.002 0.000 0.315 114 A C 1.199 178.779 177.584 -0.006 0.000 1.874 114 A CA 1.116 53.145 52.037 -0.013 0.000 0.714 114 A CB -2.126 16.867 19.000 -0.011 0.000 1.335 114 A HN 0.428 nan 8.150 nan 0.000 0.382 115 G N -0.099 108.699 108.800 -0.003 0.000 2.481 115 G HA2 0.491 4.449 3.960 -0.002 0.000 0.251 115 G HA3 0.491 4.449 3.960 -0.002 0.000 0.251 115 G C 0.408 175.311 174.900 0.005 0.000 1.492 115 G CA 0.514 45.614 45.100 0.001 0.000 1.060 115 G HN 1.972 nan 8.290 nan 0.000 0.553 116 R N -0.191 120.313 120.500 0.007 0.000 3.491 116 R HA 0.134 4.473 4.340 -0.002 0.000 0.269 116 R C -0.061 176.247 176.300 0.014 0.000 0.661 116 R CA -0.032 56.074 56.100 0.010 0.000 1.041 116 R CB -1.985 28.320 30.300 0.008 0.000 0.934 116 R HN 0.631 nan 8.270 nan 0.000 0.360 117 A N 2.940 125.772 122.820 0.021 0.000 2.293 117 A HA 0.628 4.947 4.320 -0.002 0.000 0.302 117 A C 1.223 178.822 177.584 0.025 0.000 1.119 117 A CA -0.142 51.912 52.037 0.029 0.000 0.823 117 A CB 0.891 19.917 19.000 0.044 0.000 1.097 117 A HN 0.902 nan 8.150 nan 0.000 0.491 118 A N 0.906 123.740 122.820 0.024 0.000 2.209 118 A HA 0.346 4.665 4.320 -0.002 0.000 0.212 118 A C 0.960 178.557 177.584 0.022 0.000 1.158 118 A CA 1.380 53.429 52.037 0.019 0.000 0.742 118 A CB -1.082 17.927 19.000 0.015 0.000 0.790 118 A HN 1.836 nan 8.150 nan 0.000 0.472 119 V N -5.195 114.737 119.914 0.031 0.000 3.103 119 V HA 0.656 4.775 4.120 -0.002 0.000 0.318 119 V C -3.205 172.909 176.094 0.033 0.000 1.114 119 V CA -3.074 59.246 62.300 0.032 0.000 1.020 119 V CB 1.196 33.044 31.823 0.041 0.000 1.085 119 V HN -0.006 nan 8.190 nan 0.000 0.446 120 P HA 0.249 nan 4.420 nan 0.000 0.264 120 P C -0.780 176.541 177.300 0.035 0.000 1.193 120 P CA 0.186 63.303 63.100 0.028 0.000 0.763 120 P CB 0.640 32.354 31.700 0.023 0.000 0.810 121 V N 5.528 125.461 119.914 0.032 0.000 2.334 121 V HA 0.190 4.309 4.120 -0.002 0.000 0.281 121 V C 0.004 176.116 176.094 0.030 0.000 1.016 121 V CA -0.586 61.734 62.300 0.035 0.000 0.832 121 V CB 1.052 32.895 31.823 0.034 0.000 0.999 121 V HN 0.311 nan 8.190 nan 0.000 0.439 122 L N 6.455 127.697 121.223 0.031 0.000 2.265 122 L HA 0.471 4.810 4.340 -0.002 0.000 0.288 122 L C 0.020 176.919 176.870 0.048 0.000 1.058 122 L CA 0.193 55.056 54.840 0.037 0.000 0.809 122 L CB 1.494 43.574 42.059 0.035 0.000 1.179 122 L HN 0.410 nan 8.230 nan 0.000 0.429 123 V N 3.006 122.952 119.914 0.053 0.000 2.435 123 V HA 0.470 4.589 4.120 -0.002 0.000 0.290 123 V C -0.260 175.893 176.094 0.098 0.000 1.030 123 V CA -0.668 61.669 62.300 0.061 0.000 0.881 123 V CB 1.274 33.116 31.823 0.031 0.000 0.983 123 V HN 0.685 nan 8.190 nan 0.000 0.445 124 H N 5.567 124.641 119.070 0.007 0.000 2.771 124 H HA 0.495 5.050 4.556 -0.002 0.000 0.361 124 H C -2.851 172.485 175.328 0.012 0.000 1.108 124 H CA -1.865 54.187 56.048 0.007 0.000 1.201 124 H CB 3.408 33.172 29.762 0.003 0.000 1.681 124 H HN 0.431 nan 8.280 nan 0.000 0.534 125 P HA 0.117 nan 4.420 nan 0.000 0.274 125 P C -0.363 177.071 177.300 0.223 0.000 1.246 125 P CA 0.290 63.394 63.100 0.006 0.000 0.795 125 P CB 0.374 32.025 31.700 -0.082 0.000 1.006 126 A N 1.311 124.232 122.820 0.169 0.000 2.511 126 A HA -0.152 4.167 4.320 -0.002 0.000 0.297 126 A C -1.339 176.359 177.584 0.190 0.000 1.476 126 A CA 0.478 52.624 52.037 0.182 0.000 0.757 126 A CB -2.672 16.426 19.000 0.163 0.000 1.072 126 A HN 0.426 nan 8.150 nan 0.000 0.413 127 P HA -0.176 nan 4.420 nan 0.000 0.214 127 P C 1.620 178.867 177.300 -0.089 0.000 1.163 127 P CA 1.448 64.517 63.100 -0.051 0.000 0.883 127 P CB -0.017 31.669 31.700 -0.023 0.000 0.788 128 R N -0.118 120.359 120.500 -0.038 0.000 2.154 128 R HA -0.134 4.205 4.340 -0.002 0.000 0.248 128 R C 2.125 178.413 176.300 -0.020 0.000 1.155 128 R CA 1.970 58.053 56.100 -0.028 0.000 0.979 128 R CB -1.273 29.024 30.300 -0.004 0.000 0.869 128 R HN 0.181 nan 8.270 nan 0.000 0.452 129 G N -1.459 107.335 108.800 -0.011 0.000 2.776 129 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.209 129 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.209 129 G C 0.843 175.726 174.900 -0.029 0.000 1.145 129 G CA 0.518 45.621 45.100 0.005 0.000 0.791 129 G HN 0.306 nan 8.290 nan 0.000 0.530 130 V N -0.820 119.038 119.914 -0.094 0.000 3.356 130 V HA 0.176 4.294 4.120 -0.002 0.000 0.274 130 V C 1.890 177.916 176.094 -0.113 0.000 1.631 130 V CA 0.026 62.243 62.300 -0.138 0.000 1.025 130 V CB 0.412 32.033 31.823 -0.336 0.000 0.840 130 V HN 0.228 nan 8.190 nan 0.000 0.419 131 L N 1.654 122.821 121.223 -0.093 0.000 2.012 131 L HA 0.017 4.356 4.340 -0.002 0.000 0.210 131 L C 2.254 179.108 176.870 -0.028 0.000 1.073 131 L CA 3.013 57.815 54.840 -0.063 0.000 0.748 131 L CB -1.079 40.950 42.059 -0.050 0.000 0.891 131 L HN 0.314 nan 8.230 nan 0.000 0.431 132 G N -1.228 107.564 108.800 -0.012 0.000 2.446 132 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.217 132 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.217 132 G C 1.528 176.432 174.900 0.006 0.000 1.168 132 G CA 0.673 45.776 45.100 0.006 0.000 0.771 132 G HN 0.611 nan 8.290 nan 0.000 0.551 133 G N 0.827 109.629 108.800 0.004 0.000 2.418 133 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.217 133 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.217 133 G C 1.836 176.730 174.900 -0.010 0.000 1.158 133 G CA 0.828 45.937 45.100 0.016 0.000 0.771 133 G HN 0.424 nan 8.290 nan 0.000 0.545 134 L N 0.757 121.962 121.223 -0.030 0.000 2.012 134 L HA -0.119 4.220 4.340 -0.002 0.000 0.210 134 L C 3.431 180.268 176.870 -0.055 0.000 1.073 134 L CA 1.330 56.142 54.840 -0.046 0.000 0.748 134 L CB -0.419 41.608 42.059 -0.053 0.000 0.891 134 L HN 0.303 nan 8.230 nan 0.000 0.431 135 A N -0.274 122.540 122.820 -0.011 0.000 1.902 135 A HA -0.165 4.154 4.320 -0.002 0.000 0.217 135 A C 2.518 180.145 177.584 0.072 0.000 1.181 135 A CA 1.697 53.775 52.037 0.069 0.000 0.623 135 A CB -0.807 18.270 19.000 0.129 0.000 0.818 135 A HN 0.413 nan 8.150 nan 0.000 0.443 136 A N -0.903 121.902 122.820 -0.025 0.000 1.940 136 A HA -0.103 4.215 4.320 -0.002 0.000 0.219 136 A C 2.302 179.591 177.584 -0.491 0.000 1.176 136 A CA 2.369 54.314 52.037 -0.154 0.000 0.631 136 A CB -1.241 17.713 19.000 -0.076 0.000 0.814 136 A HN 0.448 nan 8.150 nan 0.000 0.446 137 T N -0.395 113.937 114.554 -0.371 0.000 2.701 137 T HA -0.134 4.215 4.350 -0.002 0.000 0.263 137 T C 2.012 176.548 174.700 -0.273 0.000 1.040 137 T CA 1.943 63.829 62.100 -0.356 0.000 1.147 137 T CB -0.771 68.029 68.868 -0.113 0.000 0.865 137 T HN 0.666 nan 8.240 nan 0.000 0.426 138 V N -0.207 119.553 119.914 -0.257 0.000 2.626 138 V HA -0.090 4.028 4.120 -0.002 0.000 0.252 138 V C 1.616 177.458 176.094 -0.420 0.000 1.067 138 V CA 1.288 63.380 62.300 -0.346 0.000 1.081 138 V CB -1.035 30.527 31.823 -0.434 0.000 0.686 138 V HN 0.559 nan 8.190 nan 0.000 0.468 139 Y N 1.864 122.083 120.300 -0.134 0.000 2.470 139 Y HA 0.568 5.117 4.550 -0.002 0.000 0.284 139 Y C 1.913 177.745 175.900 -0.113 0.000 1.188 139 Y CA 0.130 58.165 58.100 -0.107 0.000 1.269 139 Y CB -0.254 38.152 38.460 -0.091 0.000 1.094 139 Y HN 0.452 nan 8.280 nan 0.000 0.518 140 G N 0.184 108.942 108.800 -0.070 0.000 2.137 140 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.237 140 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.237 140 G C -0.192 174.748 174.900 0.068 0.000 1.002 140 G CA 0.069 45.167 45.100 -0.005 0.000 0.702 140 G HN 0.661 nan 8.290 nan 0.000 0.515 141 H N -2.085 117.004 119.070 0.030 0.000 2.672 141 H HA -0.153 4.402 4.556 -0.002 0.000 0.325 141 H C -0.486 174.836 175.328 -0.010 0.000 1.158 141 H CA 1.011 57.062 56.048 0.005 0.000 1.134 141 H CB -1.262 28.495 29.762 -0.008 0.000 1.553 141 H HN 0.543 nan 8.280 nan 0.000 0.419 142 P HA -0.176 nan 4.420 nan 0.000 0.217 142 P C 1.604 178.894 177.300 -0.017 0.000 1.148 142 P CA 1.960 65.066 63.100 0.009 0.000 0.828 142 P CB 0.045 31.730 31.700 -0.024 0.000 0.783 143 S N -0.964 114.715 115.700 -0.035 0.000 2.603 143 S HA -0.035 4.434 4.470 -0.002 0.000 0.229 143 S C 1.558 176.123 174.600 -0.058 0.000 0.972 143 S CA 0.363 58.512 58.200 -0.085 0.000 0.935 143 S CB -0.848 62.252 63.200 -0.167 0.000 0.769 143 S HN 0.189 nan 8.310 nan 0.000 0.536 144 E N 0.545 120.738 120.200 -0.012 0.000 2.479 144 E HA 0.169 4.518 4.350 -0.002 0.000 0.193 144 E C 1.123 177.716 176.600 -0.012 0.000 1.049 144 E CA -0.041 56.351 56.400 -0.014 0.000 0.870 144 E CB 0.197 29.895 29.700 -0.003 0.000 0.944 144 E HN 0.509 nan 8.360 nan 0.000 0.492 145 R N 0.107 120.600 120.500 -0.012 0.000 2.535 145 R HA 0.333 4.671 4.340 -0.002 0.000 0.323 145 R C 0.110 176.397 176.300 -0.021 0.000 0.979 145 R CA 0.070 56.163 56.100 -0.011 0.000 1.120 145 R CB 0.984 31.283 30.300 -0.002 0.000 1.306 145 R HN 0.001 nan 8.270 nan 0.000 0.540 146 L N -0.532 120.672 121.223 -0.033 0.000 2.359 146 L HA 0.420 4.758 4.340 -0.002 0.000 0.256 146 L C -0.423 176.422 176.870 -0.041 0.000 1.026 146 L CA -0.775 54.041 54.840 -0.040 0.000 0.828 146 L CB 2.707 44.733 42.059 -0.056 0.000 1.406 146 L HN -0.224 nan 8.230 nan 0.000 0.413 147 T N 1.428 115.963 114.554 -0.032 0.000 2.781 147 T HA 0.418 4.767 4.350 -0.002 0.000 0.305 147 T C -0.423 174.262 174.700 -0.024 0.000 1.001 147 T CA -0.287 61.800 62.100 -0.021 0.000 0.950 147 T CB 0.803 69.667 68.868 -0.007 0.000 0.955 147 T HN 0.137 nan 8.240 nan 0.000 0.471 148 V N 5.868 125.759 119.914 -0.039 0.000 2.370 148 V HA 0.449 4.568 4.120 -0.002 0.000 0.279 148 V C 0.109 176.264 176.094 0.102 0.000 1.029 148 V CA -0.750 61.526 62.300 -0.040 0.000 0.870 148 V CB 1.097 32.780 31.823 -0.233 0.000 0.984 148 V HN 0.780 nan 8.190 nan 0.000 0.451 149 I N 4.218 124.866 120.570 0.130 0.000 2.339 149 I HA 0.580 4.749 4.170 -0.002 0.000 0.290 149 I C 0.796 177.051 176.117 0.229 0.000 0.994 149 I CA -0.065 61.335 61.300 0.168 0.000 1.191 149 I CB 1.616 39.662 38.000 0.076 0.000 1.343 149 I HN 0.702 nan 8.210 nan 0.000 0.458 150 G N 7.265 116.191 108.800 0.211 0.000 2.372 150 G HA2 0.759 4.717 3.960 -0.002 0.000 0.323 150 G HA3 0.759 4.717 3.960 -0.002 0.000 0.323 150 G C -0.767 174.091 174.900 -0.070 0.000 1.152 150 G CA -0.402 44.694 45.100 -0.008 0.000 0.906 150 G HN 0.490 nan 8.290 nan 0.000 0.460 151 I N 1.392 121.948 120.570 -0.023 0.000 2.436 151 I HA 0.410 4.579 4.170 -0.002 0.000 0.289 151 I C 0.109 176.227 176.117 0.002 0.000 1.010 151 I CA -0.531 60.775 61.300 0.011 0.000 1.098 151 I CB 2.546 40.562 38.000 0.027 0.000 1.266 151 I HN 0.447 nan 8.210 nan 0.000 0.434 152 T N 3.612 118.186 114.554 0.033 0.000 2.926 152 T HA 0.934 5.283 4.350 -0.002 0.000 0.289 152 T C -0.483 174.139 174.700 -0.130 0.000 1.054 152 T CA -0.226 61.881 62.100 0.013 0.000 1.015 152 T CB 1.924 70.838 68.868 0.075 0.000 1.167 152 T HN 1.029 nan 8.240 nan 0.000 0.526 153 G N 0.740 109.433 108.800 -0.179 0.000 2.333 153 G HA2 0.162 4.121 3.960 -0.002 0.000 0.330 153 G HA3 0.162 4.121 3.960 -0.002 0.000 0.330 153 G C 0.471 175.296 174.900 -0.126 0.000 1.465 153 G CA 0.189 45.045 45.100 -0.407 0.000 0.996 153 G HN 0.679 nan 8.290 nan 0.000 0.655 154 T N 0.401 114.894 114.554 -0.102 0.000 2.746 154 T HA 0.169 4.518 4.350 -0.002 0.000 0.267 154 T C 1.250 175.985 174.700 0.059 0.000 1.039 154 T CA 1.989 64.151 62.100 0.102 0.000 1.142 154 T CB -0.199 68.754 68.868 0.142 0.000 0.866 154 T HN 0.699 nan 8.240 nan 0.000 0.444 155 S N -1.527 114.155 115.700 -0.030 0.000 2.599 155 S HA 0.560 5.028 4.470 -0.002 0.000 0.294 155 S C 0.936 175.533 174.600 -0.004 0.000 1.094 155 S CA -0.248 57.942 58.200 -0.018 0.000 0.931 155 S CB 1.903 65.037 63.200 -0.110 0.000 1.093 155 S HN 0.556 nan 8.310 nan 0.000 0.488 156 G N 1.156 109.994 108.800 0.063 0.000 2.176 156 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.253 156 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.253 156 G C 0.747 175.682 174.900 0.059 0.000 0.979 156 G CA 0.657 45.814 45.100 0.095 0.000 0.641 156 G HN 0.598 nan 8.290 nan 0.000 0.530 157 K N -0.203 120.224 120.400 0.046 0.000 1.985 157 K HA -0.074 4.245 4.320 -0.002 0.000 0.210 157 K C 2.678 179.322 176.600 0.072 0.000 1.047 157 K CA 1.944 58.258 56.287 0.045 0.000 0.932 157 K CB -0.497 32.031 32.500 0.046 0.000 0.716 157 K HN 0.364 nan 8.250 nan 0.000 0.439 158 T N 0.988 115.589 114.554 0.079 0.000 2.597 158 T HA -0.181 4.168 4.350 -0.002 0.000 0.267 158 T C 1.994 176.781 174.700 0.145 0.000 1.053 158 T CA 2.228 64.387 62.100 0.100 0.000 1.165 158 T CB -0.639 68.229 68.868 0.001 0.000 0.863 158 T HN 0.329 nan 8.240 nan 0.000 0.427 159 T N 1.709 116.310 114.554 0.077 0.000 2.759 159 T HA -0.117 4.232 4.350 -0.002 0.000 0.269 159 T C 2.253 177.018 174.700 0.108 0.000 1.042 159 T CA 1.673 63.815 62.100 0.070 0.000 1.140 159 T CB -0.713 68.186 68.868 0.052 0.000 0.864 159 T HN 0.427 nan 8.240 nan 0.000 0.455 160 T N 2.133 116.738 114.554 0.086 0.000 2.812 160 T HA -0.109 4.240 4.350 -0.002 0.000 0.264 160 T C 2.562 177.301 174.700 0.066 0.000 1.042 160 T CA 1.729 63.865 62.100 0.059 0.000 1.140 160 T CB -0.724 68.164 68.868 0.034 0.000 0.870 160 T HN 0.715 nan 8.240 nan 0.000 0.445 161 T N -0.000 114.605 114.554 0.085 0.000 2.759 161 T HA -0.164 4.185 4.350 -0.002 0.000 0.269 161 T C 1.752 176.464 174.700 0.020 0.000 1.042 161 T CA 1.076 63.203 62.100 0.046 0.000 1.140 161 T CB -0.902 67.989 68.868 0.040 0.000 0.864 161 T HN 0.435 nan 8.240 nan 0.000 0.455 162 Y N 1.307 121.594 120.300 -0.022 0.000 2.242 162 Y HA 0.155 4.703 4.550 -0.003 0.000 0.291 162 Y C 2.423 178.310 175.900 -0.021 0.000 1.137 162 Y CA 0.894 58.979 58.100 -0.025 0.000 1.181 162 Y CB -0.243 38.199 38.460 -0.029 0.000 0.989 162 Y HN 0.162 nan 8.280 nan 0.000 0.527 163 L N -1.576 119.719 121.223 0.119 0.000 2.072 163 L HA -0.188 4.151 4.340 -0.002 0.000 0.205 163 L C 2.222 179.098 176.870 0.009 0.000 1.079 163 L CA 0.565 55.439 54.840 0.057 0.000 0.752 163 L CB -0.676 41.409 42.059 0.043 0.000 0.906 163 L HN 0.037 nan 8.230 nan 0.000 0.436 164 V N -0.173 119.738 119.914 -0.006 0.000 2.261 164 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 164 V C 2.569 178.637 176.094 -0.043 0.000 1.047 164 V CA 2.010 64.293 62.300 -0.029 0.000 1.015 164 V CB -0.530 31.277 31.823 -0.026 0.000 0.642 164 V HN 0.510 nan 8.190 nan 0.000 0.446 165 E N 0.206 120.363 120.200 -0.071 0.000 2.204 165 E HA -0.227 4.122 4.350 -0.002 0.000 0.195 165 E C 2.183 178.739 176.600 -0.074 0.000 0.990 165 E CA 1.454 57.792 56.400 -0.103 0.000 0.821 165 E CB -0.059 29.519 29.700 -0.203 0.000 0.750 165 E HN 0.560 nan 8.360 nan 0.000 0.477 166 A N 0.638 123.432 122.820 -0.044 0.000 1.898 166 A HA -0.038 4.281 4.320 -0.002 0.000 0.216 166 A C 2.448 180.021 177.584 -0.018 0.000 1.181 166 A CA 1.627 53.654 52.037 -0.017 0.000 0.620 166 A CB -1.000 18.010 19.000 0.016 0.000 0.819 166 A HN 0.398 nan 8.150 nan 0.000 0.442 167 G N -0.303 108.485 108.800 -0.020 0.000 2.402 167 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.216 167 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.216 167 G C 1.390 176.276 174.900 -0.024 0.000 1.162 167 G CA 1.084 46.171 45.100 -0.022 0.000 0.777 167 G HN 0.312 nan 8.290 nan 0.000 0.539 168 L N 0.484 121.689 121.223 -0.029 0.000 2.012 168 L HA 0.000 4.339 4.340 -0.002 0.000 0.210 168 L C 2.936 179.790 176.870 -0.026 0.000 1.073 168 L CA 1.522 56.345 54.840 -0.028 0.000 0.748 168 L CB -0.940 41.097 42.059 -0.035 0.000 0.891 168 L HN 0.101 nan 8.230 nan 0.000 0.431 169 R N -0.888 119.594 120.500 -0.030 0.000 2.091 169 R HA -0.113 4.226 4.340 -0.002 0.000 0.238 169 R C 2.263 178.552 176.300 -0.017 0.000 1.136 169 R CA 1.486 57.571 56.100 -0.025 0.000 0.959 169 R CB -0.713 29.570 30.300 -0.027 0.000 0.856 169 R HN 0.428 nan 8.270 nan 0.000 0.437 170 A N 0.183 122.994 122.820 -0.015 0.000 1.933 170 A HA -0.059 4.259 4.320 -0.002 0.000 0.218 170 A C 2.180 179.759 177.584 -0.008 0.000 1.175 170 A CA 1.650 53.681 52.037 -0.010 0.000 0.628 170 A CB -0.738 18.257 19.000 -0.009 0.000 0.814 170 A HN 0.385 nan 8.150 nan 0.000 0.444 171 A N -1.764 121.050 122.820 -0.010 0.000 2.209 171 A HA 0.375 4.694 4.320 -0.002 0.000 0.212 171 A C 1.832 179.412 177.584 -0.007 0.000 1.158 171 A CA 1.319 53.352 52.037 -0.007 0.000 0.742 171 A CB -0.981 18.015 19.000 -0.007 0.000 0.790 171 A HN 1.942 nan 8.150 nan 0.000 0.472 172 G N -0.872 107.922 108.800 -0.010 0.000 2.137 172 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.237 172 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.237 172 G C 0.148 175.041 174.900 -0.012 0.000 1.002 172 G CA 0.092 45.186 45.100 -0.011 0.000 0.702 172 G HN 0.504 nan 8.290 nan 0.000 0.515 173 R N -0.372 120.120 120.500 -0.015 0.000 2.539 173 R HA 0.421 4.759 4.340 -0.002 0.000 0.275 173 R C 0.375 176.662 176.300 -0.021 0.000 1.077 173 R CA -0.505 55.585 56.100 -0.016 0.000 1.097 173 R CB 1.214 31.504 30.300 -0.017 0.000 1.018 173 R HN 0.137 nan 8.270 nan 0.000 0.483 174 V N 2.717 122.618 119.914 -0.022 0.000 2.372 174 V HA 0.262 4.381 4.120 -0.002 0.000 0.261 174 V C 0.554 176.628 176.094 -0.032 0.000 1.055 174 V CA -0.299 61.985 62.300 -0.026 0.000 0.930 174 V CB 0.634 32.443 31.823 -0.023 0.000 1.031 174 V HN 0.822 nan 8.190 nan 0.000 0.479 175 A N 4.257 127.053 122.820 -0.041 0.000 2.311 175 A HA 0.962 5.281 4.320 -0.002 0.000 0.334 175 A C 0.269 177.817 177.584 -0.060 0.000 1.139 175 A CA -0.187 51.820 52.037 -0.050 0.000 0.830 175 A CB 1.678 20.643 19.000 -0.057 0.000 1.234 175 A HN 0.946 nan 8.150 nan 0.000 0.483 176 G N -0.509 108.252 108.800 -0.064 0.000 2.524 176 G HA2 0.583 4.542 3.960 -0.002 0.000 0.310 176 G HA3 0.583 4.542 3.960 -0.002 0.000 0.310 176 G C -1.514 173.333 174.900 -0.088 0.000 1.279 176 G CA -0.443 44.613 45.100 -0.074 0.000 0.974 176 G HN 0.976 nan 8.290 nan 0.000 0.484 177 L N 1.462 122.619 121.223 -0.110 0.000 2.365 177 L HA 0.817 5.156 4.340 -0.002 0.000 0.273 177 L C -1.095 175.717 176.870 -0.096 0.000 1.000 177 L CA -0.987 53.773 54.840 -0.132 0.000 0.819 177 L CB 1.757 43.667 42.059 -0.249 0.000 1.284 177 L HN 0.439 nan 8.230 nan 0.000 0.418 178 I N 4.861 125.393 120.570 -0.063 0.000 2.478 178 I HA 0.784 4.952 4.170 -0.002 0.000 0.287 178 I C 0.115 176.225 176.117 -0.013 0.000 1.042 178 I CA -0.290 60.989 61.300 -0.036 0.000 1.067 178 I CB 1.679 39.666 38.000 -0.022 0.000 1.233 178 I HN 0.775 nan 8.210 nan 0.000 0.431 179 G N 2.731 111.526 108.800 -0.008 0.000 2.500 179 G HA2 0.217 4.176 3.960 -0.002 0.000 0.299 179 G HA3 0.217 4.176 3.960 -0.002 0.000 0.299 179 G C 0.151 175.047 174.900 -0.007 0.000 1.242 179 G CA -0.094 45.012 45.100 0.009 0.000 0.859 179 G HN 0.350 nan 8.290 nan 0.000 0.481 180 T N 0.602 115.140 114.554 -0.026 0.000 2.995 180 T HA 0.042 4.391 4.350 -0.002 0.000 0.269 180 T C 2.243 176.861 174.700 -0.136 0.000 1.091 180 T CA 1.322 63.388 62.100 -0.056 0.000 1.128 180 T CB -0.053 68.770 68.868 -0.076 0.000 0.891 180 T HN 0.291 nan 8.240 nan 0.000 0.492 181 I N 0.411 120.850 120.570 -0.218 0.000 2.584 181 I HA 0.300 4.469 4.170 -0.002 0.000 0.255 181 I C 1.592 177.678 176.117 -0.053 0.000 1.145 181 I CA 0.524 61.652 61.300 -0.287 0.000 1.462 181 I CB 0.001 37.813 38.000 -0.313 0.000 1.102 181 I HN 0.452 nan 8.210 nan 0.000 0.433 182 G N 0.271 109.061 108.800 -0.018 0.000 2.398 182 G HA2 0.259 4.218 3.960 -0.002 0.000 0.251 182 G HA3 0.259 4.218 3.960 -0.002 0.000 0.251 182 G C -1.712 173.177 174.900 -0.019 0.000 1.277 182 G CA -0.809 44.288 45.100 -0.006 0.000 0.927 182 G HN -0.103 nan 8.290 nan 0.000 0.477 183 I N 0.557 121.111 120.570 -0.025 0.000 2.474 183 I HA 0.698 4.867 4.170 -0.002 0.000 0.294 183 I C 0.134 176.221 176.117 -0.050 0.000 1.005 183 I CA -0.474 60.800 61.300 -0.043 0.000 1.113 183 I CB 2.150 40.126 38.000 -0.040 0.000 1.289 183 I HN 0.426 nan 8.210 nan 0.000 0.436 184 R N 4.711 125.167 120.500 -0.073 0.000 2.513 184 R HA 0.826 5.165 4.340 -0.002 0.000 0.301 184 R C -1.707 174.549 176.300 -0.073 0.000 0.968 184 R CA -0.680 55.373 56.100 -0.077 0.000 0.872 184 R CB 2.181 32.412 30.300 -0.115 0.000 1.177 184 R HN 0.381 nan 8.270 nan 0.000 0.444 185 V N 1.982 121.862 119.914 -0.057 0.000 2.668 185 V HA 0.615 4.734 4.120 -0.002 0.000 0.304 185 V C 0.925 176.994 176.094 -0.042 0.000 1.071 185 V CA -0.489 61.780 62.300 -0.051 0.000 0.894 185 V CB 1.291 33.087 31.823 -0.045 0.000 1.008 185 V HN 0.998 nan 8.190 nan 0.000 0.425 186 G N 4.194 112.970 108.800 -0.040 0.000 2.661 186 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.327 186 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.327 186 G C 1.134 176.017 174.900 -0.029 0.000 1.320 186 G CA 0.962 46.043 45.100 -0.032 0.000 0.997 186 G HN 1.779 nan 8.290 nan 0.000 0.543 187 G N 0.515 109.301 108.800 -0.023 0.000 2.598 187 G HA2 0.495 4.453 3.960 -0.002 0.000 0.215 187 G HA3 0.495 4.453 3.960 -0.002 0.000 0.215 187 G C 0.788 175.678 174.900 -0.018 0.000 1.131 187 G CA 1.569 46.658 45.100 -0.018 0.000 0.785 187 G HN 1.738 nan 8.290 nan 0.000 0.539 188 A N 0.118 122.925 122.820 -0.021 0.000 2.310 188 A HA 0.569 4.888 4.320 -0.002 0.000 0.299 188 A C -0.814 176.756 177.584 -0.023 0.000 1.147 188 A CA -0.506 51.519 52.037 -0.020 0.000 0.818 188 A CB 0.875 19.862 19.000 -0.021 0.000 1.096 188 A HN 0.141 nan 8.150 nan 0.000 0.495 189 D N 1.903 122.293 120.400 -0.016 0.000 2.855 189 D HA 0.551 5.189 4.640 -0.002 0.000 0.241 189 D C -1.443 174.852 176.300 -0.008 0.000 1.277 189 D CA -0.143 53.848 54.000 -0.014 0.000 0.918 189 D CB 1.125 41.923 40.800 -0.004 0.000 1.462 189 D HN 0.509 nan 8.370 nan 0.000 0.559 190 L N 1.655 122.871 121.223 -0.011 0.000 2.393 190 L HA 0.731 5.070 4.340 -0.002 0.000 0.260 190 L C -2.693 174.174 176.870 -0.004 0.000 1.002 190 L CA -1.902 52.934 54.840 -0.008 0.000 0.818 190 L CB 2.234 44.285 42.059 -0.014 0.000 1.369 190 L HN 0.084 nan 8.230 nan 0.000 0.412 191 P HA 0.390 nan 4.420 nan 0.000 0.279 191 P C -1.040 176.261 177.300 0.001 0.000 1.276 191 P CA -0.440 62.665 63.100 0.009 0.000 0.801 191 P CB 1.558 33.267 31.700 0.016 0.000 1.127 192 S N -2.507 113.197 115.700 0.007 0.000 2.541 192 S HA 0.611 5.080 4.470 -0.002 0.000 0.271 192 S C 0.697 175.300 174.600 0.005 0.000 1.133 192 S CA -0.274 57.925 58.200 -0.001 0.000 0.876 192 S CB 1.409 64.605 63.200 -0.006 0.000 1.105 192 S HN 0.474 nan 8.310 nan 0.000 0.470 193 A N 1.626 124.444 122.820 -0.004 0.000 1.930 193 A HA 0.367 4.685 4.320 -0.002 0.000 0.217 193 A C 0.627 178.206 177.584 -0.009 0.000 1.175 193 A CA 0.806 52.839 52.037 -0.006 0.000 0.627 193 A CB -0.562 18.429 19.000 -0.014 0.000 0.815 193 A HN 0.775 nan 8.150 nan 0.000 0.443 194 L N -3.307 117.908 121.223 -0.013 0.000 2.350 194 L HA 0.331 4.670 4.340 -0.002 0.000 0.260 194 L C 1.202 178.067 176.870 -0.009 0.000 1.015 194 L CA -0.710 54.117 54.840 -0.022 0.000 0.821 194 L CB 1.716 43.748 42.059 -0.044 0.000 1.370 194 L HN 0.022 nan 8.230 nan 0.000 0.416 195 T N -0.562 113.989 114.554 -0.005 0.000 2.684 195 T HA -0.078 4.271 4.350 -0.002 0.000 0.267 195 T C 0.533 175.238 174.700 0.008 0.000 1.036 195 T CA 1.478 63.585 62.100 0.011 0.000 1.148 195 T CB -0.097 68.788 68.868 0.029 0.000 0.863 195 T HN 0.622 nan 8.240 nan 0.000 0.436 196 T N 2.882 117.436 114.554 -0.001 0.000 2.812 196 T HA 0.478 4.826 4.350 -0.002 0.000 0.282 196 T C -2.716 171.982 174.700 -0.003 0.000 0.990 196 T CA -1.414 60.693 62.100 0.011 0.000 0.960 196 T CB 2.118 71.004 68.868 0.029 0.000 0.948 196 T HN -0.049 nan 8.240 nan 0.000 0.438 197 P HA 0.201 nan 4.420 nan 0.000 0.272 197 P C 0.099 177.394 177.300 -0.009 0.000 1.240 197 P CA -0.616 62.475 63.100 -0.015 0.000 0.791 197 P CB 0.547 32.232 31.700 -0.025 0.000 0.978 198 E N 0.386 120.579 120.200 -0.012 0.000 2.418 198 E HA 0.023 4.372 4.350 -0.002 0.000 0.261 198 E C 1.427 178.025 176.600 -0.004 0.000 1.070 198 E CA 0.070 56.468 56.400 -0.004 0.000 0.931 198 E CB 0.327 30.025 29.700 -0.003 0.000 0.954 198 E HN 0.427 nan 8.360 nan 0.000 0.439 199 A N 4.430 127.253 122.820 0.005 0.000 1.896 199 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 199 A C -0.458 177.128 177.584 0.003 0.000 1.206 199 A CA 1.911 53.951 52.037 0.006 0.000 0.647 199 A CB -1.635 17.373 19.000 0.013 0.000 0.828 199 A HN 0.457 nan 8.150 nan 0.000 0.455 200 P HA -0.072 nan 4.420 nan 0.000 0.217 200 P C 1.501 178.785 177.300 -0.028 0.000 1.150 200 P CA 1.764 64.903 63.100 0.064 0.000 0.832 200 P CB -0.231 31.525 31.700 0.093 0.000 0.787 201 T N 0.117 114.644 114.554 -0.045 0.000 2.668 201 T HA -0.121 4.227 4.350 -0.002 0.000 0.262 201 T C 1.669 176.283 174.700 -0.144 0.000 1.045 201 T CA 0.920 62.963 62.100 -0.094 0.000 1.152 201 T CB -1.054 67.781 68.868 -0.054 0.000 0.864 201 T HN -0.037 nan 8.240 nan 0.000 0.419 202 L N 1.661 122.825 121.223 -0.098 0.000 1.991 202 L HA -0.204 4.135 4.340 -0.002 0.000 0.221 202 L C 2.419 179.193 176.870 -0.160 0.000 1.079 202 L CA 1.917 56.697 54.840 -0.101 0.000 0.778 202 L CB -0.962 41.065 42.059 -0.055 0.000 0.893 202 L HN 0.157 nan 8.230 nan 0.000 0.437 203 Q N -0.424 119.276 119.800 -0.166 0.000 2.135 203 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 203 Q C 2.290 178.000 176.000 -0.483 0.000 0.981 203 Q CA 1.830 57.511 55.803 -0.203 0.000 0.856 203 Q CB -0.849 27.868 28.738 -0.035 0.000 0.902 203 Q HN 0.715 nan 8.270 nan 0.000 0.425 204 A N 0.490 122.844 122.820 -0.778 0.000 1.873 204 A HA -0.145 4.174 4.320 -0.002 0.000 0.215 204 A C 2.223 179.546 177.584 -0.435 0.000 1.186 204 A CA 1.478 52.916 52.037 -0.998 0.000 0.616 204 A CB -0.496 17.992 19.000 -0.853 0.000 0.823 204 A HN 0.305 nan 8.150 nan 0.000 0.442 205 M N -0.478 118.954 119.600 -0.280 0.000 2.065 205 M HA -0.152 4.327 4.480 -0.002 0.000 0.259 205 M C 2.160 178.372 176.300 -0.146 0.000 1.069 205 M CA 1.577 56.775 55.300 -0.169 0.000 1.110 205 M CB -0.582 31.943 32.600 -0.126 0.000 1.328 205 M HN 0.386 nan 8.290 nan 0.000 0.405 206 L N -0.344 120.787 121.223 -0.153 0.000 2.042 206 L HA -0.201 4.137 4.340 -0.002 0.000 0.210 206 L C 2.852 179.663 176.870 -0.100 0.000 1.076 206 L CA 1.266 56.035 54.840 -0.117 0.000 0.749 206 L CB -1.099 40.889 42.059 -0.120 0.000 0.893 206 L HN 0.331 nan 8.230 nan 0.000 0.432 207 A N 0.220 122.965 122.820 -0.124 0.000 1.917 207 A HA -0.233 4.086 4.320 -0.002 0.000 0.219 207 A C 2.537 180.090 177.584 -0.051 0.000 1.182 207 A CA 2.078 54.076 52.037 -0.064 0.000 0.633 207 A CB -0.732 18.248 19.000 -0.034 0.000 0.819 207 A HN 0.434 nan 8.150 nan 0.000 0.448 208 A N -0.966 121.806 122.820 -0.081 0.000 1.898 208 A HA -0.067 4.252 4.320 -0.002 0.000 0.216 208 A C 2.240 179.796 177.584 -0.046 0.000 1.181 208 A CA 1.729 53.733 52.037 -0.055 0.000 0.620 208 A CB -0.538 18.422 19.000 -0.067 0.000 0.819 208 A HN 0.512 nan 8.150 nan 0.000 0.442 209 M N -0.568 118.998 119.600 -0.057 0.000 2.089 209 M HA -0.208 4.271 4.480 -0.002 0.000 0.257 209 M C 2.102 178.380 176.300 -0.037 0.000 1.071 209 M CA 1.831 57.102 55.300 -0.049 0.000 1.096 209 M CB -0.563 32.003 32.600 -0.058 0.000 1.330 209 M HN 0.276 nan 8.290 nan 0.000 0.403 210 V N 0.306 120.200 119.914 -0.034 0.000 2.287 210 V HA -0.296 3.823 4.120 -0.002 0.000 0.248 210 V C 2.080 178.165 176.094 -0.015 0.000 1.053 210 V CA 2.143 64.430 62.300 -0.022 0.000 1.027 210 V CB -0.836 30.978 31.823 -0.014 0.000 0.646 210 V HN 0.509 nan 8.190 nan 0.000 0.447 211 E N -0.011 120.181 120.200 -0.013 0.000 2.110 211 E HA -0.190 4.159 4.350 -0.002 0.000 0.193 211 E C 2.144 178.737 176.600 -0.012 0.000 0.988 211 E CA 0.918 57.313 56.400 -0.008 0.000 0.804 211 E CB -0.194 29.503 29.700 -0.005 0.000 0.745 211 E HN 0.565 nan 8.360 nan 0.000 0.458 212 R N 0.012 120.501 120.500 -0.018 0.000 2.319 212 R HA 0.057 4.396 4.340 -0.002 0.000 0.204 212 R C 0.928 177.217 176.300 -0.019 0.000 0.954 212 R CA 0.488 56.576 56.100 -0.019 0.000 1.066 212 R CB 0.180 30.466 30.300 -0.024 0.000 0.991 212 R HN 0.206 nan 8.270 nan 0.000 0.486 213 G N 1.407 110.196 108.800 -0.017 0.000 2.225 213 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.267 213 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.267 213 G C 0.281 175.169 174.900 -0.020 0.000 1.024 213 G CA 0.181 45.271 45.100 -0.016 0.000 0.784 213 G HN 0.169 nan 8.290 nan 0.000 0.507 214 V N 1.146 121.045 119.914 -0.025 0.000 2.715 214 V HA 0.298 4.416 4.120 -0.002 0.000 0.299 214 V C 1.485 177.562 176.094 -0.027 0.000 1.054 214 V CA 0.780 63.062 62.300 -0.030 0.000 1.077 214 V CB 1.537 33.338 31.823 -0.037 0.000 0.972 214 V HN 0.603 nan 8.190 nan 0.000 0.484 215 D N 1.260 121.645 120.400 -0.026 0.000 2.454 215 D HA 0.036 4.675 4.640 -0.002 0.000 0.219 215 D C 0.347 176.633 176.300 -0.024 0.000 1.081 215 D CA 0.181 54.168 54.000 -0.023 0.000 0.867 215 D CB 1.079 41.869 40.800 -0.017 0.000 1.054 215 D HN 0.544 nan 8.370 nan 0.000 0.500 216 T N 0.597 115.135 114.554 -0.028 0.000 2.893 216 T HA 0.510 4.859 4.350 -0.002 0.000 0.293 216 T C -0.824 173.855 174.700 -0.035 0.000 1.027 216 T CA -0.560 61.524 62.100 -0.027 0.000 0.988 216 T CB 2.813 71.668 68.868 -0.021 0.000 1.043 216 T HN -0.114 nan 8.240 nan 0.000 0.461 217 V N 2.565 122.459 119.914 -0.033 0.000 2.577 217 V HA 0.624 4.743 4.120 -0.002 0.000 0.303 217 V C -0.398 175.686 176.094 -0.015 0.000 1.042 217 V CA -0.851 61.427 62.300 -0.037 0.000 0.872 217 V CB 1.890 33.684 31.823 -0.048 0.000 0.998 217 V HN 0.705 nan 8.190 nan 0.000 0.423 218 V N 6.699 126.598 119.914 -0.024 0.000 2.483 218 V HA 0.701 4.820 4.120 -0.002 0.000 0.295 218 V C -0.405 175.693 176.094 0.007 0.000 1.035 218 V CA -0.289 62.010 62.300 -0.002 0.000 0.896 218 V CB 1.697 33.505 31.823 -0.025 0.000 0.986 218 V HN 0.927 nan 8.190 nan 0.000 0.447 219 M N 4.887 124.520 119.600 0.055 0.000 2.386 219 M HA 0.504 4.982 4.480 -0.002 0.000 0.293 219 M C -0.736 175.601 176.300 0.062 0.000 1.120 219 M CA -0.506 54.836 55.300 0.071 0.000 0.909 219 M CB 2.546 35.240 32.600 0.157 0.000 1.661 219 M HN 0.633 nan 8.290 nan 0.000 0.452 220 E N 2.141 122.369 120.200 0.047 0.000 2.290 220 E HA 0.281 4.629 4.350 -0.002 0.000 0.277 220 E C -1.083 175.543 176.600 0.043 0.000 1.035 220 E CA -0.236 56.190 56.400 0.042 0.000 0.873 220 E CB 1.215 30.942 29.700 0.044 0.000 1.029 220 E HN 0.290 nan 8.360 nan 0.000 0.419 221 V N 3.562 123.486 119.914 0.017 0.000 2.326 221 V HA 0.111 4.230 4.120 -0.002 0.000 0.281 221 V C 0.218 176.320 176.094 0.013 0.000 1.015 221 V CA -0.689 61.611 62.300 0.001 0.000 0.823 221 V CB 1.087 32.843 31.823 -0.113 0.000 1.009 221 V HN 0.718 nan 8.190 nan 0.000 0.436 222 S N 2.957 118.678 115.700 0.035 0.000 2.617 222 S HA 0.232 4.701 4.470 -0.002 0.000 0.269 222 S C 1.455 176.103 174.600 0.080 0.000 1.292 222 S CA 0.127 58.358 58.200 0.052 0.000 1.010 222 S CB 1.550 64.765 63.200 0.024 0.000 0.944 222 S HN 0.981 nan 8.310 nan 0.000 0.536 223 S N 0.469 116.252 115.700 0.138 0.000 2.447 223 S HA -0.160 4.308 4.470 -0.002 0.000 0.233 223 S C 1.412 176.131 174.600 0.199 0.000 1.006 223 S CA 1.131 59.477 58.200 0.244 0.000 0.957 223 S CB -0.988 62.519 63.200 0.512 0.000 0.773 223 S HN 0.865 nan 8.310 nan 0.000 0.507 224 H N 2.011 121.028 119.070 -0.088 0.000 2.321 224 H HA 0.195 4.750 4.556 -0.001 0.000 0.300 224 H C 2.570 177.839 175.328 -0.099 0.000 1.087 224 H CA 1.724 57.589 56.048 -0.305 0.000 1.319 224 H CB -0.617 28.835 29.762 -0.516 0.000 1.379 224 H HN 0.561 nan 8.280 nan 0.000 0.501 225 A N 0.614 123.481 122.820 0.078 0.000 1.883 225 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 225 A C 2.352 179.984 177.584 0.080 0.000 1.186 225 A CA 1.639 53.714 52.037 0.062 0.000 0.624 225 A CB -0.905 18.127 19.000 0.053 0.000 0.822 225 A HN 0.321 nan 8.150 nan 0.000 0.444 226 L N -0.789 120.486 121.223 0.086 0.000 1.961 226 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 226 L C 3.133 180.076 176.870 0.122 0.000 1.072 226 L CA 1.310 56.201 54.840 0.084 0.000 0.749 226 L CB -0.737 41.357 42.059 0.059 0.000 0.889 226 L HN 0.412 nan 8.230 nan 0.000 0.432 227 A N -0.445 122.492 122.820 0.195 0.000 1.958 227 A HA -0.191 4.127 4.320 -0.002 0.000 0.221 227 A C 1.906 179.605 177.584 0.191 0.000 1.178 227 A CA 1.717 53.900 52.037 0.242 0.000 0.642 227 A CB -0.506 18.760 19.000 0.443 0.000 0.816 227 A HN 0.332 nan 8.150 nan 0.000 0.453 228 L N -1.634 119.686 121.223 0.162 0.000 2.667 228 L HA 0.286 4.624 4.340 -0.002 0.000 0.232 228 L C 1.646 178.563 176.870 0.080 0.000 1.138 228 L CA 1.056 55.972 54.840 0.128 0.000 0.921 228 L CB -0.849 41.278 42.059 0.113 0.000 1.180 228 L HN 0.684 nan 8.230 nan 0.000 0.487 229 G N 0.114 108.960 108.800 0.076 0.000 2.143 229 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.249 229 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.249 229 G C 1.449 176.379 174.900 0.051 0.000 0.981 229 G CA 0.593 45.728 45.100 0.058 0.000 0.665 229 G HN 0.367 nan 8.290 nan 0.000 0.528 230 R N -0.289 120.244 120.500 0.053 0.000 2.152 230 R HA 0.023 4.362 4.340 -0.002 0.000 0.232 230 R C 2.380 178.716 176.300 0.060 0.000 1.117 230 R CA 1.732 57.859 56.100 0.045 0.000 0.981 230 R CB -0.177 30.146 30.300 0.039 0.000 0.870 230 R HN 0.975 nan 8.270 nan 0.000 0.451 231 V N -2.324 117.647 119.914 0.096 0.000 3.249 231 V HA 0.143 4.262 4.120 -0.002 0.000 0.338 231 V C 0.542 176.709 176.094 0.122 0.000 1.363 231 V CA 0.113 62.502 62.300 0.148 0.000 1.205 231 V CB 0.469 32.490 31.823 0.330 0.000 1.164 231 V HN -0.102 nan 8.190 nan 0.000 0.458 232 D N 3.265 123.709 120.400 0.074 0.000 2.117 232 D HA -0.046 4.593 4.640 -0.002 0.000 0.197 232 D C 1.977 178.306 176.300 0.049 0.000 0.987 232 D CA 2.141 56.177 54.000 0.061 0.000 0.829 232 D CB -0.192 40.633 40.800 0.042 0.000 0.961 232 D HN 0.628 nan 8.370 nan 0.000 0.460 233 G N -0.409 108.410 108.800 0.031 0.000 3.440 233 G HA2 0.114 4.073 3.960 -0.002 0.000 0.263 233 G HA3 0.114 4.073 3.960 -0.002 0.000 0.263 233 G C -0.068 174.831 174.900 -0.002 0.000 1.236 233 G CA -0.131 44.990 45.100 0.036 0.000 0.927 233 G HN 0.036 nan 8.290 nan 0.000 0.530 234 T N 0.966 115.486 114.554 -0.057 0.000 2.771 234 T HA 0.419 4.768 4.350 -0.002 0.000 0.281 234 T C -0.097 174.442 174.700 -0.268 0.000 0.982 234 T CA -0.572 61.385 62.100 -0.239 0.000 0.978 234 T CB 1.546 70.131 68.868 -0.471 0.000 0.930 234 T HN 0.077 nan 8.240 nan 0.000 0.447 235 R N 2.257 122.612 120.500 -0.242 0.000 2.242 235 R HA 0.364 4.702 4.340 -0.002 0.000 0.334 235 R C -0.792 175.346 176.300 -0.270 0.000 1.071 235 R CA -0.322 55.684 56.100 -0.156 0.000 0.922 235 R CB -0.437 29.813 30.300 -0.083 0.000 1.023 235 R HN 0.477 nan 8.270 nan 0.000 0.458 236 F N 1.378 121.306 119.950 -0.036 0.000 2.424 236 F HA 0.242 4.768 4.527 -0.002 0.000 0.356 236 F C 1.401 177.180 175.800 -0.035 0.000 1.110 236 F CA -0.213 57.761 58.000 -0.044 0.000 1.161 236 F CB 1.275 40.230 39.000 -0.074 0.000 1.115 236 F HN 0.655 nan 8.300 nan 0.000 0.507 237 A N 3.080 125.972 122.820 0.120 0.000 1.929 237 A HA 0.205 4.524 4.320 -0.002 0.000 0.216 237 A C 0.455 178.092 177.584 0.089 0.000 1.176 237 A CA 0.843 52.926 52.037 0.077 0.000 0.628 237 A CB -0.031 18.995 19.000 0.043 0.000 0.816 237 A HN 0.424 nan 8.150 nan 0.000 0.444 238 V N -1.293 118.691 119.914 0.117 0.000 2.789 238 V HA 0.665 4.784 4.120 -0.002 0.000 0.311 238 V C 0.043 176.178 176.094 0.068 0.000 1.073 238 V CA -0.212 62.141 62.300 0.089 0.000 0.921 238 V CB 1.662 33.530 31.823 0.075 0.000 1.009 238 V HN 0.425 nan 8.190 nan 0.000 0.426 239 G N 1.820 110.624 108.800 0.006 0.000 2.566 239 G HA2 0.816 4.775 3.960 -0.002 0.000 0.311 239 G HA3 0.816 4.775 3.960 -0.002 0.000 0.311 239 G C -0.944 174.066 174.900 0.184 0.000 1.322 239 G CA -0.267 44.758 45.100 -0.125 0.000 0.969 239 G HN 1.179 nan 8.290 nan 0.000 0.490 240 A N 1.392 124.360 122.820 0.247 0.000 2.414 240 A HA 0.804 5.122 4.320 -0.002 0.000 0.306 240 A C -1.811 176.025 177.584 0.421 0.000 1.054 240 A CA -0.693 51.554 52.037 0.350 0.000 0.724 240 A CB 1.700 20.791 19.000 0.153 0.000 1.267 240 A HN 1.082 nan 8.150 nan 0.000 0.418 241 F N 2.388 122.394 119.950 0.093 0.000 2.460 241 F HA 0.445 4.971 4.527 -0.001 0.000 0.341 241 F C 1.330 177.095 175.800 -0.058 0.000 1.130 241 F CA 0.123 58.081 58.000 -0.069 0.000 0.962 241 F CB 2.052 40.749 39.000 -0.505 0.000 1.171 241 F HN 0.678 nan 8.300 nan 0.000 0.436 242 T N 1.312 115.545 114.554 -0.535 0.000 2.866 242 T HA 0.231 4.580 4.350 -0.002 0.000 0.250 242 T C 0.008 174.463 174.700 -0.410 0.000 1.033 242 T CA 1.062 62.965 62.100 -0.329 0.000 1.145 242 T CB -0.440 68.300 68.868 -0.214 0.000 0.866 242 T HN 0.741 nan 8.240 nan 0.000 0.434 243 N N -0.857 117.315 118.700 -0.881 0.000 4.016 243 N HA 0.446 5.185 4.740 -0.002 0.000 0.227 243 N C -2.251 173.026 175.510 -0.388 0.000 1.337 243 N CA -1.040 51.782 53.050 -0.381 0.000 0.817 243 N CB 0.851 39.253 38.487 -0.141 0.000 1.469 243 N HN 0.336 nan 8.380 nan 0.000 0.448 244 L N 0.086 121.309 121.223 -0.001 0.000 2.493 244 L HA 0.903 5.242 4.340 -0.002 0.000 0.265 244 L C -1.343 175.576 176.870 0.082 0.000 0.954 244 L CA 0.127 54.996 54.840 0.048 0.000 0.844 244 L CB 2.063 44.230 42.059 0.181 0.000 1.302 244 L HN 1.100 nan 8.230 nan 0.000 0.405 245 S N 2.359 118.127 115.700 0.114 0.000 2.671 245 S HA 0.654 5.122 4.470 -0.002 0.000 0.277 245 S C -1.089 173.629 174.600 0.196 0.000 1.165 245 S CA -1.204 57.061 58.200 0.108 0.000 0.822 245 S CB 1.472 64.693 63.200 0.034 0.000 1.150 245 S HN 0.819 nan 8.310 nan 0.000 0.479 246 R N 0.968 121.544 120.500 0.127 0.000 2.404 246 R HA 0.530 4.869 4.340 -0.002 0.000 0.315 246 R C -1.167 175.154 176.300 0.035 0.000 1.032 246 R CA 0.109 56.284 56.100 0.124 0.000 0.992 246 R CB -0.371 29.967 30.300 0.063 0.000 0.959 246 R HN 0.689 nan 8.270 nan 0.000 0.428 247 D N 0.328 120.721 120.400 -0.012 0.000 2.639 247 D HA 0.175 4.814 4.640 -0.002 0.000 0.271 247 D C -0.346 175.722 176.300 -0.388 0.000 1.254 247 D CA -0.405 53.450 54.000 -0.242 0.000 0.810 247 D CB 0.904 41.582 40.800 -0.203 0.000 1.351 247 D HN 0.698 nan 8.370 nan 0.000 0.427 248 H N 0.709 119.653 119.070 -0.211 0.000 2.822 248 H HA -0.161 4.394 4.556 -0.002 0.000 0.295 248 H C 0.937 176.200 175.328 -0.108 0.000 1.151 248 H CA 0.244 56.192 56.048 -0.166 0.000 1.151 248 H CB -0.985 28.649 29.762 -0.214 0.000 1.343 248 H HN 0.189 nan 8.280 nan 0.000 0.382 249 L N 1.674 122.881 121.223 -0.027 0.000 2.610 249 L HA -0.025 4.314 4.340 -0.002 0.000 0.232 249 L C 2.079 178.968 176.870 0.032 0.000 1.149 249 L CA 1.551 56.401 54.840 0.017 0.000 0.872 249 L CB -0.327 41.733 42.059 0.000 0.000 0.992 249 L HN 0.449 nan 8.230 nan 0.000 0.447 250 D N -2.778 117.655 120.400 0.054 0.000 2.339 250 D HA -0.136 4.502 4.640 -0.002 0.000 0.217 250 D C 1.799 178.173 176.300 0.123 0.000 1.050 250 D CA 0.237 54.279 54.000 0.069 0.000 0.856 250 D CB 0.064 40.905 40.800 0.068 0.000 0.922 250 D HN 0.348 nan 8.370 nan 0.000 0.518 251 F N 1.089 120.999 119.950 -0.067 0.000 2.532 251 F HA 0.160 4.686 4.527 -0.001 0.000 0.276 251 F C 0.676 176.350 175.800 -0.210 0.000 0.911 251 F CA -0.190 57.703 58.000 -0.178 0.000 1.196 251 F CB 0.237 39.009 39.000 -0.379 0.000 1.087 251 F HN -0.224 nan 8.300 nan 0.000 0.775 252 H N 2.579 121.562 119.070 -0.146 0.000 2.722 252 H HA 0.170 4.724 4.556 -0.002 0.000 0.328 252 H C -1.748 173.505 175.328 -0.126 0.000 1.067 252 H CA -1.697 54.228 56.048 -0.205 0.000 1.447 252 H CB 0.683 30.452 29.762 0.011 0.000 1.469 252 H HN 0.117 nan 8.280 nan 0.000 0.544 253 P HA -0.086 nan 4.420 nan 0.000 0.230 253 P C -0.032 177.288 177.300 0.032 0.000 1.158 253 P CA 0.837 63.930 63.100 -0.012 0.000 0.769 253 P CB 0.538 32.218 31.700 -0.034 0.000 0.807 254 S N -3.943 111.802 115.700 0.074 0.000 2.611 254 S HA 0.329 4.798 4.470 -0.002 0.000 0.268 254 S C 0.650 175.328 174.600 0.130 0.000 1.156 254 S CA -0.791 57.456 58.200 0.079 0.000 0.817 254 S CB 0.319 63.550 63.200 0.052 0.000 1.122 254 S HN -0.345 nan 8.310 nan 0.000 0.466 255 M N 1.153 120.831 119.600 0.130 0.000 2.195 255 M HA -0.070 4.408 4.480 -0.002 0.000 0.260 255 M C 2.344 178.747 176.300 0.172 0.000 1.066 255 M CA 2.260 57.674 55.300 0.191 0.000 1.089 255 M CB -2.050 30.630 32.600 0.134 0.000 1.377 255 M HN 0.960 nan 8.290 nan 0.000 0.411 256 A N 0.204 123.086 122.820 0.104 0.000 1.855 256 A HA -0.171 4.147 4.320 -0.002 0.000 0.215 256 A C 1.915 179.576 177.584 0.128 0.000 1.191 256 A CA 1.818 53.910 52.037 0.093 0.000 0.613 256 A CB -0.719 18.309 19.000 0.048 0.000 0.829 256 A HN 0.380 nan 8.150 nan 0.000 0.442 257 D N -1.511 118.944 120.400 0.091 0.000 2.149 257 D HA -0.175 4.464 4.640 -0.002 0.000 0.198 257 D C 1.681 177.946 176.300 -0.059 0.000 0.990 257 D CA 1.537 55.567 54.000 0.050 0.000 0.839 257 D CB -0.404 40.438 40.800 0.069 0.000 0.948 257 D HN 0.528 nan 8.370 nan 0.000 0.460 258 Y N 0.683 120.824 120.300 -0.265 0.000 2.114 258 Y HA -0.220 4.329 4.550 -0.002 0.000 0.284 258 Y C 2.158 177.969 175.900 -0.149 0.000 1.143 258 Y CA 1.018 58.824 58.100 -0.491 0.000 1.135 258 Y CB -1.073 37.306 38.460 -0.135 0.000 0.980 258 Y HN -0.043 nan 8.280 nan 0.000 0.499 259 F N 1.052 120.896 119.950 -0.177 0.000 2.095 259 F HA -0.214 4.312 4.527 -0.002 0.000 0.298 259 F C 2.277 178.017 175.800 -0.100 0.000 1.104 259 F CA 2.149 60.044 58.000 -0.174 0.000 1.232 259 F CB -0.202 38.731 39.000 -0.112 0.000 0.987 259 F HN 0.011 nan 8.300 nan 0.000 0.475 260 E N 1.151 121.382 120.200 0.051 0.000 2.077 260 E HA -0.097 4.251 4.350 -0.002 0.000 0.193 260 E C 1.452 178.008 176.600 -0.073 0.000 0.989 260 E CA 0.814 57.208 56.400 -0.009 0.000 0.800 260 E CB -1.026 28.717 29.700 0.071 0.000 0.746 260 E HN 0.422 nan 8.360 nan 0.000 0.452 264 S N 0.107 115.768 115.700 -0.066 0.000 2.413 264 S HA -0.213 4.256 4.470 -0.002 0.000 0.237 264 S C 1.561 176.060 174.600 -0.168 0.000 1.044 264 S CA 1.951 60.104 58.200 -0.078 0.000 1.024 264 S CB -0.230 62.935 63.200 -0.059 0.000 0.829 264 S HN 0.531 nan 8.310 nan 0.000 0.475 265 L N -0.631 120.389 121.223 -0.338 0.000 2.509 265 L HA 0.339 4.678 4.340 -0.002 0.000 0.222 265 L C 0.803 177.149 176.870 -0.872 0.000 1.123 265 L CA 1.205 55.614 54.840 -0.719 0.000 0.856 265 L CB -0.201 41.191 42.059 -1.112 0.000 0.985 265 L HN 0.224 nan 8.230 nan 0.000 0.456 266 F N -2.568 117.319 119.950 -0.105 0.000 2.747 266 F HA 0.245 4.771 4.527 -0.002 0.000 0.305 266 F C 0.971 176.733 175.800 -0.064 0.000 1.065 266 F CA -0.884 57.062 58.000 -0.089 0.000 1.230 266 F CB -0.119 38.802 39.000 -0.132 0.000 1.027 266 F HN -0.180 nan 8.300 nan 0.000 0.607 267 D N 3.192 123.641 120.400 0.081 0.000 2.434 267 D HA 0.005 4.644 4.640 -0.002 0.000 0.252 267 D C -1.778 174.540 176.300 0.031 0.000 1.185 267 D CA -1.129 52.899 54.000 0.048 0.000 0.886 267 D CB 1.553 42.369 40.800 0.026 0.000 1.148 267 D HN -0.008 nan 8.370 nan 0.000 0.483 268 P HA -0.124 nan 4.420 nan 0.000 0.215 268 P C 0.565 177.876 177.300 0.019 0.000 1.153 268 P CA 0.993 64.110 63.100 0.029 0.000 0.853 268 P CB 0.291 32.010 31.700 0.031 0.000 0.788 269 D N -1.136 119.275 120.400 0.019 0.000 2.347 269 D HA -0.016 4.623 4.640 -0.002 0.000 0.215 269 D C 0.827 177.135 176.300 0.013 0.000 0.976 269 D CA 0.602 54.611 54.000 0.016 0.000 0.884 269 D CB -0.387 40.423 40.800 0.017 0.000 0.915 269 D HN 0.139 nan 8.370 nan 0.000 0.526 270 S N 0.025 115.730 115.700 0.009 0.000 2.562 270 S HA 0.273 4.742 4.470 -0.002 0.000 0.281 270 S C 1.426 176.029 174.600 0.004 0.000 1.333 270 S CA -0.108 58.093 58.200 0.003 0.000 1.052 270 S CB 1.511 64.704 63.200 -0.012 0.000 0.884 270 S HN 0.149 nan 8.310 nan 0.000 0.506 271 A N 4.693 127.519 122.820 0.011 0.000 2.019 271 A HA 0.035 4.354 4.320 -0.002 0.000 0.219 271 A C 1.613 179.212 177.584 0.026 0.000 1.164 271 A CA 0.992 53.040 52.037 0.020 0.000 0.644 271 A CB -0.402 18.613 19.000 0.025 0.000 0.805 271 A HN 0.723 nan 8.150 nan 0.000 0.449 272 L N -0.601 120.630 121.223 0.013 0.000 2.628 272 L HA 0.207 4.546 4.340 -0.002 0.000 0.229 272 L C 0.871 177.722 176.870 -0.032 0.000 1.137 272 L CA -0.019 54.834 54.840 0.022 0.000 0.909 272 L CB -1.205 40.852 42.059 -0.003 0.000 1.137 272 L HN 0.337 nan 8.230 nan 0.000 0.470 273 R N 2.263 122.739 120.500 -0.039 0.000 2.485 273 R HA 0.077 4.416 4.340 -0.002 0.000 0.304 273 R C 0.133 176.412 176.300 -0.034 0.000 0.934 273 R CA 0.374 56.435 56.100 -0.064 0.000 1.102 273 R CB -0.101 30.188 30.300 -0.018 0.000 0.906 273 R HN 0.238 nan 8.270 nan 0.000 0.407 274 A N 5.029 127.790 122.820 -0.099 0.000 2.407 274 A HA 0.216 4.535 4.320 -0.002 0.000 0.248 274 A C 1.090 178.688 177.584 0.023 0.000 1.082 274 A CA -0.414 51.622 52.037 -0.002 0.000 0.785 274 A CB 0.472 19.433 19.000 -0.066 0.000 1.020 274 A HN 0.829 nan 8.150 nan 0.000 0.489 275 R N 0.131 120.662 120.500 0.052 0.000 2.112 275 R HA -0.123 4.215 4.340 -0.002 0.000 0.242 275 R C 0.963 177.291 176.300 0.045 0.000 1.137 275 R CA 2.162 58.287 56.100 0.043 0.000 0.944 275 R CB -0.690 29.635 30.300 0.042 0.000 0.857 275 R HN 0.932 nan 8.270 nan 0.000 0.435 276 T N -2.212 112.375 114.554 0.056 0.000 2.893 276 T HA 0.696 5.044 4.350 -0.002 0.000 0.293 276 T C -1.272 173.487 174.700 0.098 0.000 1.027 276 T CA -0.532 61.609 62.100 0.069 0.000 0.988 276 T CB 2.080 70.986 68.868 0.062 0.000 1.043 276 T HN 0.210 nan 8.240 nan 0.000 0.461 277 A N 3.297 126.198 122.820 0.135 0.000 2.288 277 A HA 0.738 5.057 4.320 -0.002 0.000 0.320 277 A C -0.525 177.180 177.584 0.202 0.000 1.217 277 A CA -0.687 51.489 52.037 0.231 0.000 0.840 277 A CB 1.102 20.290 19.000 0.313 0.000 1.179 277 A HN 0.892 nan 8.150 nan 0.000 0.504 278 V N 3.436 123.485 119.914 0.225 0.000 2.384 278 V HA 0.503 4.622 4.120 -0.002 0.000 0.287 278 V C -0.530 175.653 176.094 0.149 0.000 1.020 278 V CA -0.374 62.023 62.300 0.162 0.000 0.850 278 V CB 1.452 33.340 31.823 0.108 0.000 0.987 278 V HN 0.645 nan 8.190 nan 0.000 0.436 279 V N 4.190 124.165 119.914 0.101 0.000 2.525 279 V HA 0.288 4.407 4.120 -0.002 0.000 0.299 279 V C -0.057 176.095 176.094 0.096 0.000 1.034 279 V CA -0.640 61.691 62.300 0.051 0.000 0.863 279 V CB 1.862 33.621 31.823 -0.108 0.000 0.999 279 V HN 0.998 nan 8.190 nan 0.000 0.423 280 C N 6.811 126.200 119.300 0.148 0.000 2.629 280 C HA 0.369 4.828 4.460 -0.002 0.000 0.410 280 C C 1.297 176.363 174.990 0.126 0.000 1.339 280 C CA -0.364 58.728 59.018 0.123 0.000 1.810 280 C CB -1.129 26.671 27.740 0.099 0.000 2.549 280 C HN 0.679 nan 8.230 nan 0.000 0.589 281 I N 4.455 125.069 120.570 0.073 0.000 5.043 281 I HA 0.143 4.312 4.170 -0.002 0.000 0.108 281 I C 1.690 177.844 176.117 0.061 0.000 1.147 281 I CA 0.879 62.208 61.300 0.048 0.000 1.268 281 I CB -0.867 37.145 38.000 0.020 0.000 1.313 281 I HN 0.692 nan 8.210 nan 0.000 0.606 282 D N -0.709 119.714 120.400 0.039 0.000 2.554 282 D HA -0.177 4.462 4.640 -0.002 0.000 0.178 282 D C 0.022 176.346 176.300 0.039 0.000 1.054 282 D CA 1.657 55.679 54.000 0.037 0.000 1.052 282 D CB -0.722 40.104 40.800 0.043 0.000 1.112 282 D HN 0.552 nan 8.370 nan 0.000 0.448 283 D N -0.819 119.613 120.400 0.054 0.000 2.819 283 D HA 0.204 4.843 4.640 -0.002 0.000 0.232 283 D C 0.506 176.831 176.300 0.042 0.000 1.160 283 D CA -0.482 53.556 54.000 0.063 0.000 0.858 283 D CB 1.633 42.510 40.800 0.128 0.000 1.610 283 D HN -0.325 nan 8.370 nan 0.000 0.481 284 D N 2.081 122.490 120.400 0.015 0.000 2.106 284 D HA -0.166 4.473 4.640 -0.002 0.000 0.191 284 D C 1.786 178.064 176.300 -0.038 0.000 0.997 284 D CA 1.873 55.860 54.000 -0.023 0.000 0.834 284 D CB -0.128 40.647 40.800 -0.042 0.000 0.956 284 D HN 0.535 nan 8.370 nan 0.000 0.448 285 A N 0.521 123.347 122.820 0.010 0.000 1.917 285 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 285 A C 2.386 179.987 177.584 0.029 0.000 1.182 285 A CA 2.369 54.443 52.037 0.061 0.000 0.633 285 A CB -1.156 18.008 19.000 0.273 0.000 0.819 285 A HN 0.330 nan 8.150 nan 0.000 0.448 286 G N -0.970 107.901 108.800 0.118 0.000 2.418 286 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.217 286 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.217 286 G C 1.752 176.580 174.900 -0.120 0.000 1.158 286 G CA 1.038 46.162 45.100 0.040 0.000 0.771 286 G HN 0.540 nan 8.290 nan 0.000 0.545 287 R N 0.274 120.741 120.500 -0.054 0.000 2.096 287 R HA 0.072 4.411 4.340 -0.002 0.000 0.235 287 R C 2.901 179.149 176.300 -0.087 0.000 1.127 287 R CA 1.298 57.361 56.100 -0.062 0.000 0.968 287 R CB -0.253 30.021 30.300 -0.043 0.000 0.861 287 R HN 0.325 nan 8.270 nan 0.000 0.440 288 A N 0.203 122.963 122.820 -0.099 0.000 1.898 288 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 288 A C 2.040 179.613 177.584 -0.020 0.000 1.181 288 A CA 1.095 53.086 52.037 -0.077 0.000 0.620 288 A CB -0.292 18.587 19.000 -0.202 0.000 0.819 288 A HN 0.190 nan 8.150 nan 0.000 0.442 289 M N -0.252 119.252 119.600 -0.159 0.000 2.086 289 M HA -0.126 4.353 4.480 -0.002 0.000 0.261 289 M C 2.547 178.664 176.300 -0.305 0.000 1.067 289 M CA 1.586 56.632 55.300 -0.424 0.000 1.116 289 M CB -1.546 30.365 32.600 -1.147 0.000 1.348 289 M HN 0.488 nan 8.290 nan 0.000 0.407 290 A N 0.322 123.000 122.820 -0.236 0.000 1.873 290 A HA -0.131 4.188 4.320 -0.002 0.000 0.218 290 A C 2.429 179.980 177.584 -0.055 0.000 1.193 290 A CA 2.663 54.630 52.037 -0.117 0.000 0.629 290 A CB -1.142 17.820 19.000 -0.064 0.000 0.826 290 A HN 0.505 nan 8.150 nan 0.000 0.447 291 A N -0.547 122.244 122.820 -0.048 0.000 1.917 291 A HA -0.218 4.100 4.320 -0.002 0.000 0.219 291 A C 2.192 179.773 177.584 -0.005 0.000 1.182 291 A CA 2.384 54.410 52.037 -0.019 0.000 0.633 291 A CB -0.473 18.513 19.000 -0.023 0.000 0.819 291 A HN 0.496 nan 8.150 nan 0.000 0.448 292 R N -0.005 120.488 120.500 -0.012 0.000 2.073 292 R HA -0.022 4.317 4.340 -0.002 0.000 0.234 292 R C 2.179 178.496 176.300 0.028 0.000 1.134 292 R CA 1.951 58.059 56.100 0.014 0.000 0.952 292 R CB -0.876 29.430 30.300 0.010 0.000 0.850 292 R HN 0.400 nan 8.270 nan 0.000 0.433 293 A N -0.550 122.285 122.820 0.026 0.000 2.070 293 A HA 0.173 4.492 4.320 -0.002 0.000 0.220 293 A C 1.855 179.474 177.584 0.058 0.000 1.159 293 A CA 1.907 53.990 52.037 0.077 0.000 0.656 293 A CB -0.598 18.466 19.000 0.108 0.000 0.800 293 A HN 0.694 nan 8.150 nan 0.000 0.453 294 A N -0.432 122.412 122.820 0.038 0.000 3.925 294 A HA -0.314 4.005 4.320 -0.002 0.000 0.247 294 A C 0.849 178.464 177.584 0.051 0.000 0.630 294 A CA 2.184 54.244 52.037 0.038 0.000 1.174 294 A CB -2.117 16.904 19.000 0.035 0.000 1.222 294 A HN 1.201 nan 8.150 nan 0.000 0.676 295 D N -1.301 119.136 120.400 0.062 0.000 2.895 295 D HA 0.616 5.255 4.640 -0.002 0.000 0.350 295 D C 0.007 176.358 176.300 0.084 0.000 1.389 295 D CA 0.678 54.718 54.000 0.068 0.000 0.812 295 D CB -0.575 40.254 40.800 0.048 0.000 1.164 295 D HN 1.238 nan 8.370 nan 0.000 0.455 296 A N 0.510 123.392 122.820 0.104 0.000 2.407 296 A HA 0.457 4.776 4.320 -0.002 0.000 0.248 296 A C 0.403 178.098 177.584 0.184 0.000 1.082 296 A CA -0.411 51.702 52.037 0.127 0.000 0.785 296 A CB 0.219 19.274 19.000 0.092 0.000 1.020 296 A HN 0.431 nan 8.150 nan 0.000 0.489 297 I N 2.405 123.082 120.570 0.179 0.000 2.363 297 I HA 0.145 4.314 4.170 -0.002 0.000 0.292 297 I C 1.000 177.352 176.117 0.393 0.000 1.075 297 I CA 0.103 61.570 61.300 0.279 0.000 1.333 297 I CB 0.697 38.821 38.000 0.205 0.000 1.415 297 I HN 0.778 nan 8.210 nan 0.000 0.502 298 T N 3.533 118.435 114.554 0.581 0.000 2.922 298 T HA 0.654 5.002 4.350 -0.002 0.000 0.285 298 T C -0.322 174.523 174.700 0.241 0.000 1.005 298 T CA -0.708 61.533 62.100 0.235 0.000 1.061 298 T CB 1.984 70.875 68.868 0.039 0.000 1.007 298 T HN 0.221 nan 8.240 nan 0.000 0.502 299 V N 1.785 121.796 119.914 0.163 0.000 2.638 299 V HA 0.746 4.865 4.120 -0.002 0.000 0.306 299 V C -0.429 175.728 176.094 0.104 0.000 1.052 299 V CA -0.694 61.707 62.300 0.168 0.000 0.885 299 V CB 2.112 34.000 31.823 0.108 0.000 0.999 299 V HN 1.159 nan 8.190 nan 0.000 0.424 300 S N 3.097 118.860 115.700 0.104 0.000 2.619 300 S HA 0.713 5.182 4.470 -0.002 0.000 0.280 300 S C 0.267 174.894 174.600 0.045 0.000 1.150 300 S CA 0.285 58.521 58.200 0.060 0.000 0.978 300 S CB 1.885 65.110 63.200 0.042 0.000 1.041 300 S HN 1.092 nan 8.310 nan 0.000 0.485 301 A N 3.239 126.064 122.820 0.009 0.000 2.387 301 A HA 0.667 4.986 4.320 -0.002 0.000 0.234 301 A C 1.077 178.652 177.584 -0.015 0.000 1.253 301 A CA 0.427 52.444 52.037 -0.033 0.000 0.894 301 A CB -0.064 18.877 19.000 -0.098 0.000 0.963 301 A HN 1.251 nan 8.150 nan 0.000 0.508 302 A N -0.665 122.159 122.820 0.007 0.000 2.749 302 A HA 0.517 4.836 4.320 -0.002 0.000 0.299 302 A C 0.231 177.823 177.584 0.013 0.000 1.105 302 A CA 0.417 52.461 52.037 0.011 0.000 0.987 302 A CB -0.358 18.651 19.000 0.015 0.000 1.180 302 A HN 0.281 nan 8.150 nan 0.000 0.528 303 D N -0.491 119.919 120.400 0.016 0.000 3.041 303 D HA -0.149 4.490 4.640 -0.002 0.000 0.220 303 D C 0.312 176.618 176.300 0.010 0.000 1.157 303 D CA 1.400 55.409 54.000 0.015 0.000 0.876 303 D CB -0.910 39.899 40.800 0.014 0.000 1.107 303 D HN 0.767 nan 8.370 nan 0.000 0.422 304 R N 0.047 120.553 120.500 0.009 0.000 2.573 304 R HA 0.666 5.005 4.340 -0.002 0.000 0.272 304 R C -2.428 173.868 176.300 -0.006 0.000 1.009 304 R CA -1.747 54.353 56.100 -0.000 0.000 1.059 304 R CB 0.522 30.820 30.300 -0.002 0.000 1.112 304 R HN -0.012 nan 8.270 nan 0.000 0.517 305 P HA 0.261 nan 4.420 nan 0.000 0.280 305 P C -1.315 175.942 177.300 -0.072 0.000 1.244 305 P CA -0.199 62.878 63.100 -0.039 0.000 0.784 305 P CB 1.446 33.120 31.700 -0.044 0.000 0.913 306 A N 1.841 124.612 122.820 -0.082 0.000 2.599 306 A HA 0.426 4.745 4.320 -0.002 0.000 0.290 306 A C 0.610 178.117 177.584 -0.130 0.000 1.101 306 A CA -0.480 51.475 52.037 -0.137 0.000 0.674 306 A CB 0.364 19.361 19.000 -0.005 0.000 1.277 306 A HN 0.566 nan 8.150 nan 0.000 0.419 307 H N -1.031 118.100 119.070 0.101 0.000 2.387 307 H HA -0.053 4.502 4.556 -0.002 0.000 0.299 307 H C -0.471 174.841 175.328 -0.027 0.000 1.090 307 H CA 1.493 57.569 56.048 0.047 0.000 1.332 307 H CB 0.073 29.903 29.762 0.113 0.000 1.386 307 H HN 0.575 nan 8.280 nan 0.000 0.516 308 W N 0.659 122.044 121.300 0.141 0.000 2.666 308 W HA 0.516 5.175 4.660 -0.001 0.000 0.334 308 W C -0.100 176.466 176.519 0.078 0.000 1.051 308 W CA -0.651 56.763 57.345 0.115 0.000 1.224 308 W CB 1.271 30.804 29.460 0.122 0.000 1.405 308 W HN -0.243 nan 8.180 nan 0.000 0.513 309 R N 1.473 122.154 120.500 0.302 0.000 2.771 309 R HA 0.842 5.181 4.340 -0.002 0.000 0.274 309 R C -0.913 175.523 176.300 0.227 0.000 0.987 309 R CA -0.996 55.221 56.100 0.194 0.000 0.908 309 R CB 1.979 32.344 30.300 0.108 0.000 1.213 309 R HN 0.491 nan 8.270 nan 0.000 0.468 310 A N 0.805 123.716 122.820 0.153 0.000 2.317 310 A HA 0.725 5.044 4.320 -0.002 0.000 0.327 310 A C -0.411 177.257 177.584 0.139 0.000 1.178 310 A CA -0.446 51.699 52.037 0.179 0.000 0.817 310 A CB 1.073 20.033 19.000 -0.066 0.000 1.189 310 A HN 0.733 nan 8.150 nan 0.000 0.489 311 T N -1.460 113.211 114.554 0.196 0.000 2.865 311 T HA 0.587 4.935 4.350 -0.002 0.000 0.294 311 T C -0.787 174.011 174.700 0.162 0.000 1.119 311 T CA -0.177 62.001 62.100 0.130 0.000 1.007 311 T CB 1.316 70.235 68.868 0.086 0.000 1.225 311 T HN 0.695 nan 8.240 nan 0.000 0.515 312 D N -0.093 120.377 120.400 0.117 0.000 2.689 312 D HA -0.112 4.527 4.640 -0.002 0.000 0.237 312 D C -0.084 176.314 176.300 0.164 0.000 1.148 312 D CA 0.466 54.540 54.000 0.123 0.000 0.656 312 D CB -1.722 39.149 40.800 0.118 0.000 1.050 312 D HN 0.585 nan 8.370 nan 0.000 0.426 313 V N 0.071 120.073 119.914 0.147 0.000 2.446 313 V HA 0.430 4.548 4.120 -0.002 0.000 0.276 313 V C 0.983 177.145 176.094 0.113 0.000 1.030 313 V CA 0.241 62.633 62.300 0.153 0.000 1.033 313 V CB 1.142 33.007 31.823 0.070 0.000 0.993 313 V HN 0.428 nan 8.190 nan 0.000 0.477 314 A N 8.458 131.354 122.820 0.126 0.000 2.371 314 A HA 0.924 5.243 4.320 -0.002 0.000 0.311 314 A C -2.699 174.926 177.584 0.068 0.000 1.068 314 A CA -1.854 50.232 52.037 0.083 0.000 0.744 314 A CB 1.830 20.875 19.000 0.076 0.000 1.239 314 A HN 0.601 nan 8.150 nan 0.000 0.435 315 P HA 0.439 nan 4.420 nan 0.000 0.276 315 P C -0.285 177.023 177.300 0.013 0.000 1.244 315 P CA 0.083 63.194 63.100 0.018 0.000 0.801 315 P CB 1.309 33.001 31.700 -0.013 0.000 1.006 316 T N -2.181 112.379 114.554 0.009 0.000 2.916 316 T HA 0.373 4.722 4.350 -0.002 0.000 0.292 316 T C -0.217 174.480 174.700 -0.005 0.000 1.055 316 T CA -0.855 61.247 62.100 0.002 0.000 1.009 316 T CB 0.632 69.502 68.868 0.004 0.000 1.118 316 T HN 0.150 nan 8.240 nan 0.000 0.497 317 D N 0.841 121.236 120.400 -0.007 0.000 2.383 317 D HA 0.344 4.983 4.640 -0.002 0.000 0.233 317 D C 1.291 177.584 176.300 -0.012 0.000 1.233 317 D CA 1.448 55.443 54.000 -0.010 0.000 0.881 317 D CB -0.201 40.593 40.800 -0.010 0.000 1.212 317 D HN 1.269 nan 8.370 nan 0.000 0.467 318 A N 0.605 123.415 122.820 -0.017 0.000 2.822 318 A HA -0.017 4.302 4.320 -0.002 0.000 0.287 318 A C 1.396 178.971 177.584 -0.016 0.000 1.479 318 A CA 1.619 53.643 52.037 -0.022 0.000 0.779 318 A CB -2.057 16.929 19.000 -0.023 0.000 1.022 318 A HN 1.665 nan 8.150 nan 0.000 0.532 319 G N -2.605 106.189 108.800 -0.010 0.000 2.341 319 G HA2 0.131 4.090 3.960 -0.002 0.000 0.292 319 G HA3 0.131 4.090 3.960 -0.002 0.000 0.292 319 G C 1.368 176.267 174.900 -0.002 0.000 1.021 319 G CA 1.332 46.430 45.100 -0.003 0.000 0.905 319 G HN 2.539 nan 8.290 nan 0.000 0.508 320 G N -1.849 106.952 108.800 0.002 0.000 2.932 320 G HA2 0.737 4.696 3.960 -0.002 0.000 0.283 320 G HA3 0.737 4.696 3.960 -0.002 0.000 0.283 320 G C -0.640 174.275 174.900 0.025 0.000 1.336 320 G CA -0.292 44.814 45.100 0.011 0.000 1.056 320 G HN 0.567 nan 8.290 nan 0.000 0.522 321 Q N -0.905 118.926 119.800 0.052 0.000 2.315 321 Q HA 0.436 4.775 4.340 -0.002 0.000 0.273 321 Q C -1.323 174.763 176.000 0.144 0.000 1.053 321 Q CA -0.662 55.198 55.803 0.094 0.000 0.817 321 Q CB 2.215 31.014 28.738 0.100 0.000 1.326 321 Q HN 0.692 nan 8.270 nan 0.000 0.423 322 Q N 2.955 122.848 119.800 0.156 0.000 2.356 322 Q HA 0.703 5.042 4.340 -0.002 0.000 0.270 322 Q C -1.320 174.837 176.000 0.262 0.000 1.058 322 Q CA -0.788 55.105 55.803 0.149 0.000 0.802 322 Q CB 1.744 30.511 28.738 0.047 0.000 1.303 322 Q HN 0.515 nan 8.270 nan 0.000 0.444 323 F N -1.785 118.227 119.950 0.104 0.000 2.692 323 F HA 0.746 5.271 4.527 -0.002 0.000 0.320 323 F C -1.083 174.795 175.800 0.129 0.000 1.123 323 F CA -1.111 56.952 58.000 0.105 0.000 0.961 323 F CB 1.619 40.663 39.000 0.074 0.000 1.383 323 F HN 0.334 nan 8.300 nan 0.000 0.483 324 T N 1.684 116.363 114.554 0.208 0.000 2.767 324 T HA 0.688 5.037 4.350 -0.002 0.000 0.284 324 T C -0.384 174.472 174.700 0.261 0.000 0.973 324 T CA -0.356 61.770 62.100 0.044 0.000 0.996 324 T CB 1.141 69.978 68.868 -0.051 0.000 0.927 324 T HN 0.877 nan 8.240 nan 0.000 0.456 325 A N 4.209 127.160 122.820 0.219 0.000 2.260 325 A HA 0.699 5.018 4.320 -0.002 0.000 0.314 325 A C -0.117 177.685 177.584 0.364 0.000 1.257 325 A CA -0.712 51.590 52.037 0.442 0.000 0.871 325 A CB 0.050 19.369 19.000 0.531 0.000 1.166 325 A HN 0.891 nan 8.150 nan 0.000 0.522 326 I N 3.278 124.013 120.570 0.275 0.000 2.321 326 I HA 0.218 4.387 4.170 -0.002 0.000 0.291 326 I C -0.174 175.877 176.117 -0.111 0.000 0.998 326 I CA -0.706 60.640 61.300 0.077 0.000 1.227 326 I CB 1.352 39.367 38.000 0.024 0.000 1.368 326 I HN 0.812 nan 8.210 nan 0.000 0.466 327 D N 7.385 127.572 120.400 -0.354 0.000 2.398 327 D HA 0.187 4.826 4.640 -0.002 0.000 0.247 327 D C -2.070 173.818 176.300 -0.687 0.000 1.227 327 D CA -2.026 51.324 54.000 -1.083 0.000 0.980 327 D CB 0.146 40.419 40.800 -0.877 0.000 1.106 327 D HN 0.146 nan 8.370 nan 0.000 0.493 328 P HA -0.049 nan 4.420 nan 0.000 0.219 328 P C 0.948 178.144 177.300 -0.173 0.000 1.146 328 P CA 1.876 64.801 63.100 -0.292 0.000 0.808 328 P CB -0.112 31.464 31.700 -0.206 0.000 0.779 329 A N -0.942 121.765 122.820 -0.189 0.000 2.206 329 A HA 0.356 4.675 4.320 -0.002 0.000 0.211 329 A C 1.746 179.267 177.584 -0.104 0.000 1.158 329 A CA 1.037 53.007 52.037 -0.111 0.000 0.761 329 A CB -1.238 17.709 19.000 -0.088 0.000 0.801 329 A HN 0.256 nan 8.150 nan 0.000 0.473 330 G N -1.773 106.945 108.800 -0.137 0.000 2.157 330 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.239 330 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.239 330 G C 0.106 174.934 174.900 -0.120 0.000 0.982 330 G CA 0.071 45.106 45.100 -0.109 0.000 0.650 330 G HN 0.848 nan 8.290 nan 0.000 0.527 331 V N 0.917 120.741 119.914 -0.150 0.000 2.498 331 V HA 0.678 4.796 4.120 -0.002 0.000 0.279 331 V C 1.214 177.119 176.094 -0.315 0.000 1.048 331 V CA 0.028 62.197 62.300 -0.217 0.000 0.967 331 V CB 1.433 33.118 31.823 -0.230 0.000 0.988 331 V HN 0.726 nan 8.190 nan 0.000 0.473 332 G N 2.687 111.292 108.800 -0.325 0.000 2.377 332 G HA2 0.578 4.537 3.960 -0.002 0.000 0.299 332 G HA3 0.578 4.537 3.960 -0.002 0.000 0.299 332 G C -0.948 173.665 174.900 -0.479 0.000 1.150 332 G CA -0.336 44.596 45.100 -0.280 0.000 0.847 332 G HN 0.827 nan 8.290 nan 0.000 0.501 333 H N -0.036 118.996 119.070 -0.062 0.000 2.538 333 H HA 0.318 4.873 4.556 -0.002 0.000 0.353 333 H C -0.534 174.719 175.328 -0.126 0.000 1.109 333 H CA -0.748 55.268 56.048 -0.052 0.000 1.192 333 H CB 1.467 31.256 29.762 0.045 0.000 1.555 333 H HN 0.439 nan 8.280 nan 0.000 0.518 334 H N 3.515 122.607 119.070 0.037 0.000 2.864 334 H HA 0.118 4.673 4.556 -0.002 0.000 0.281 334 H C -0.211 175.036 175.328 -0.135 0.000 1.093 334 H CA -0.003 56.007 56.048 -0.063 0.000 1.453 334 H CB 0.106 29.845 29.762 -0.039 0.000 1.462 334 H HN 0.390 nan 8.280 nan 0.000 0.480 335 I N 2.619 123.074 120.570 -0.191 0.000 2.441 335 I HA 0.346 4.515 4.170 -0.002 0.000 0.295 335 I C 1.026 176.951 176.117 -0.320 0.000 0.994 335 I CA -0.709 60.366 61.300 -0.375 0.000 1.144 335 I CB 1.697 39.185 38.000 -0.853 0.000 1.314 335 I HN 0.520 nan 8.210 nan 0.000 0.445 336 G N 6.202 114.912 108.800 -0.149 0.000 2.617 336 G HA2 0.739 4.698 3.960 -0.002 0.000 0.306 336 G HA3 0.739 4.698 3.960 -0.002 0.000 0.306 336 G C -1.438 173.462 174.900 0.001 0.000 1.360 336 G CA -0.434 44.634 45.100 -0.052 0.000 0.983 336 G HN 0.556 nan 8.290 nan 0.000 0.496 337 I N 1.643 122.246 120.570 0.055 0.000 2.656 337 I HA 0.475 4.644 4.170 -0.002 0.000 0.292 337 I C 0.479 176.623 176.117 0.044 0.000 1.144 337 I CA -1.228 60.114 61.300 0.070 0.000 1.038 337 I CB 2.484 40.571 38.000 0.145 0.000 1.244 337 I HN 0.611 nan 8.210 nan 0.000 0.420 338 R N 4.780 125.295 120.500 0.024 0.000 2.307 338 R HA 0.275 4.614 4.340 -0.002 0.000 0.199 338 R C -0.428 175.871 176.300 -0.001 0.000 1.000 338 R CA 0.391 56.496 56.100 0.009 0.000 1.023 338 R CB 0.008 30.311 30.300 0.004 0.000 0.908 338 R HN 0.507 nan 8.270 nan 0.000 0.473 339 L N 1.774 122.993 121.223 -0.006 0.000 2.322 339 L HA 0.489 4.828 4.340 -0.002 0.000 0.279 339 L C -2.221 174.615 176.870 -0.057 0.000 1.036 339 L CA -2.371 52.446 54.840 -0.038 0.000 0.807 339 L CB 1.444 43.466 42.059 -0.062 0.000 1.226 339 L HN -0.120 nan 8.230 nan 0.000 0.433 340 P HA 0.526 nan 4.420 nan 0.000 0.283 340 P C -0.363 176.840 177.300 -0.162 0.000 1.278 340 P CA -0.323 62.734 63.100 -0.072 0.000 0.834 340 P CB 1.709 33.393 31.700 -0.026 0.000 1.150 341 G N 0.377 109.099 108.800 -0.131 0.000 2.911 341 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.686 341 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.686 341 G C 0.388 175.165 174.900 -0.204 0.000 1.136 341 G CA -0.452 44.543 45.100 -0.174 0.000 0.764 341 G HN 0.540 nan 8.290 nan 0.000 0.626 342 R N 1.264 121.721 120.500 -0.072 0.000 2.105 342 R HA -0.113 4.226 4.340 -0.002 0.000 0.239 342 R C 2.418 178.678 176.300 -0.066 0.000 1.135 342 R CA 3.036 59.102 56.100 -0.056 0.000 0.967 342 R CB -0.947 29.365 30.300 0.020 0.000 0.861 342 R HN 1.091 nan 8.270 nan 0.000 0.442 343 Y N -1.642 118.633 120.300 -0.043 0.000 2.457 343 Y HA 0.197 4.746 4.550 -0.002 0.000 0.292 343 Y C 1.332 177.202 175.900 -0.050 0.000 1.125 343 Y CA 0.655 58.729 58.100 -0.044 0.000 1.254 343 Y CB -0.546 37.898 38.460 -0.026 0.000 1.012 343 Y HN -0.068 nan 8.280 nan 0.000 0.555 344 N N 0.712 119.000 118.700 -0.687 0.000 2.396 344 N HA -0.080 4.659 4.740 -0.002 0.000 0.180 344 N C 1.753 177.123 175.510 -0.235 0.000 1.028 344 N CA 1.109 53.900 53.050 -0.432 0.000 0.893 344 N CB -0.059 38.152 38.487 -0.460 0.000 0.967 344 N HN 0.375 nan 8.380 nan 0.000 0.440 345 V N 1.152 120.897 119.914 -0.282 0.000 2.427 345 V HA -0.145 3.974 4.120 -0.002 0.000 0.248 345 V C 2.363 178.263 176.094 -0.323 0.000 1.051 345 V CA 1.678 63.711 62.300 -0.444 0.000 1.048 345 V CB -0.804 30.654 31.823 -0.609 0.000 0.666 345 V HN 0.248 nan 8.190 nan 0.000 0.456 346 A N 0.461 123.179 122.820 -0.170 0.000 1.877 346 A HA -0.234 4.085 4.320 -0.002 0.000 0.216 346 A C 2.077 179.637 177.584 -0.040 0.000 1.186 346 A CA 2.018 54.012 52.037 -0.070 0.000 0.620 346 A CB -0.720 18.281 19.000 0.002 0.000 0.822 346 A HN 0.569 nan 8.150 nan 0.000 0.443 347 N N -0.253 118.433 118.700 -0.023 0.000 2.061 347 N HA -0.190 4.549 4.740 -0.002 0.000 0.193 347 N C 1.792 177.293 175.510 -0.016 0.000 1.030 347 N CA 1.626 54.673 53.050 -0.005 0.000 0.856 347 N CB -1.094 37.399 38.487 0.011 0.000 1.023 347 N HN 0.585 nan 8.380 nan 0.000 0.424 348 C N 0.808 120.101 119.300 -0.011 0.000 2.440 348 C HA 0.092 4.551 4.460 -0.002 0.000 0.278 348 C C 2.724 177.723 174.990 0.015 0.000 1.295 348 C CA 0.067 59.113 59.018 0.047 0.000 1.738 348 C CB -1.222 26.631 27.740 0.188 0.000 1.987 348 C HN 0.380 nan 8.230 nan 0.000 0.492 349 L N 0.277 121.497 121.223 -0.005 0.000 1.989 349 L HA -0.148 4.190 4.340 -0.002 0.000 0.211 349 L C 2.664 179.406 176.870 -0.215 0.000 1.071 349 L CA 1.711 56.510 54.840 -0.068 0.000 0.749 349 L CB -0.863 41.201 42.059 0.009 0.000 0.890 349 L HN 0.220 nan 8.230 nan 0.000 0.431 350 V N 0.237 120.080 119.914 -0.117 0.000 2.250 350 V HA -0.386 3.732 4.120 -0.002 0.000 0.250 350 V C 2.784 178.785 176.094 -0.156 0.000 1.060 350 V CA 2.053 64.286 62.300 -0.111 0.000 1.030 350 V CB -1.099 30.704 31.823 -0.033 0.000 0.643 350 V HN 0.545 nan 8.190 nan 0.000 0.445 351 A N -0.367 122.384 122.820 -0.115 0.000 1.892 351 A HA -0.227 4.091 4.320 -0.002 0.000 0.218 351 A C 2.233 179.694 177.584 -0.205 0.000 1.188 351 A CA 2.261 54.232 52.037 -0.110 0.000 0.631 351 A CB -0.652 18.316 19.000 -0.054 0.000 0.822 351 A HN 0.519 nan 8.150 nan 0.000 0.447 352 L N -0.944 120.086 121.223 -0.321 0.000 2.046 352 L HA -0.209 4.129 4.340 -0.002 0.000 0.208 352 L C 3.116 179.505 176.870 -0.802 0.000 1.077 352 L CA 1.102 55.619 54.840 -0.538 0.000 0.747 352 L CB -0.535 41.129 42.059 -0.659 0.000 0.896 352 L HN 0.456 nan 8.230 nan 0.000 0.432 353 A N 0.232 122.462 122.820 -0.984 0.000 1.902 353 A HA -0.186 4.133 4.320 -0.002 0.000 0.217 353 A C 2.212 179.674 177.584 -0.203 0.000 1.181 353 A CA 1.550 53.163 52.037 -0.708 0.000 0.623 353 A CB -0.658 17.996 19.000 -0.578 0.000 0.818 353 A HN 0.327 nan 8.150 nan 0.000 0.443 354 I N -0.382 120.091 120.570 -0.161 0.000 2.099 354 I HA -0.300 3.869 4.170 -0.002 0.000 0.239 354 I C 2.460 178.550 176.117 -0.045 0.000 1.066 354 I CA 1.444 62.710 61.300 -0.057 0.000 1.324 354 I CB -0.420 37.557 38.000 -0.037 0.000 1.037 354 I HN 0.296 nan 8.210 nan 0.000 0.401 355 L N 0.259 121.434 121.223 -0.080 0.000 2.043 355 L HA -0.299 4.040 4.340 -0.002 0.000 0.212 355 L C 2.245 179.107 176.870 -0.014 0.000 1.075 355 L CA 1.856 56.665 54.840 -0.051 0.000 0.752 355 L CB -0.683 41.332 42.059 -0.073 0.000 0.891 355 L HN 0.326 nan 8.230 nan 0.000 0.432 356 D N -0.390 120.009 120.400 -0.001 0.000 2.092 356 D HA -0.216 4.423 4.640 -0.002 0.000 0.193 356 D C 2.134 178.488 176.300 0.090 0.000 0.994 356 D CA 1.929 55.987 54.000 0.096 0.000 0.828 356 D CB 0.046 41.012 40.800 0.276 0.000 0.963 356 D HN 0.347 nan 8.370 nan 0.000 0.450 357 T N -2.330 112.273 114.554 0.083 0.000 3.007 357 T HA -0.070 4.278 4.350 -0.002 0.000 0.270 357 T C 1.685 176.413 174.700 0.047 0.000 1.107 357 T CA 0.670 62.813 62.100 0.073 0.000 1.118 357 T CB -0.134 68.778 68.868 0.073 0.000 0.889 357 T HN 0.018 nan 8.240 nan 0.000 0.506 358 V N 0.639 120.574 119.914 0.034 0.000 3.542 358 V HA 0.510 4.629 4.120 -0.002 0.000 0.296 358 V C 1.587 177.692 176.094 0.019 0.000 1.364 358 V CA 0.453 62.767 62.300 0.022 0.000 1.118 358 V CB -0.352 31.479 31.823 0.014 0.000 0.972 358 V HN 0.853 nan 8.190 nan 0.000 0.430 359 G N 0.516 109.332 108.800 0.027 0.000 2.142 359 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.225 359 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.225 359 G C -0.103 174.809 174.900 0.020 0.000 1.015 359 G CA 0.126 45.242 45.100 0.026 0.000 0.716 359 G HN 0.456 nan 8.290 nan 0.000 0.508 360 V N 1.545 121.469 119.914 0.017 0.000 2.407 360 V HA 0.697 4.816 4.120 -0.002 0.000 0.291 360 V C 0.840 176.941 176.094 0.012 0.000 1.018 360 V CA -0.229 62.076 62.300 0.008 0.000 0.842 360 V CB 1.606 33.425 31.823 -0.006 0.000 0.996 360 V HN 0.955 nan 8.190 nan 0.000 0.426 361 S N 5.374 121.083 115.700 0.015 0.000 2.614 361 S HA 0.392 4.861 4.470 -0.002 0.000 0.265 361 S C -1.704 172.877 174.600 -0.031 0.000 1.303 361 S CA -1.007 57.200 58.200 0.012 0.000 1.000 361 S CB 1.247 64.462 63.200 0.024 0.000 0.935 361 S HN 0.477 nan 8.310 nan 0.000 0.551 362 P HA -0.143 nan 4.420 nan 0.000 0.216 362 P C 1.429 178.699 177.300 -0.051 0.000 1.153 362 P CA 1.390 64.407 63.100 -0.139 0.000 0.858 362 P CB -0.008 31.437 31.700 -0.425 0.000 0.789 363 E N -0.205 119.992 120.200 -0.006 0.000 2.038 363 E HA -0.242 4.106 4.350 -0.002 0.000 0.195 363 E C 2.143 178.752 176.600 0.016 0.000 1.000 363 E CA 1.274 57.696 56.400 0.038 0.000 0.803 363 E CB -0.512 29.226 29.700 0.064 0.000 0.750 363 E HN 0.455 nan 8.360 nan 0.000 0.448 364 Q N -0.226 119.579 119.800 0.009 0.000 2.170 364 Q HA -0.124 4.215 4.340 -0.002 0.000 0.203 364 Q C 2.004 178.001 176.000 -0.005 0.000 0.976 364 Q CA 1.288 57.093 55.803 0.004 0.000 0.858 364 Q CB -0.058 28.682 28.738 0.003 0.000 0.907 364 Q HN 0.205 nan 8.270 nan 0.000 0.433 365 A N -0.102 122.710 122.820 -0.014 0.000 2.030 365 A HA -0.012 4.307 4.320 -0.002 0.000 0.215 365 A C 2.117 179.692 177.584 -0.016 0.000 1.164 365 A CA 0.336 52.361 52.037 -0.021 0.000 0.697 365 A CB -0.304 18.674 19.000 -0.037 0.000 0.827 365 A HN 0.224 nan 8.150 nan 0.000 0.457 366 V N 0.863 120.769 119.914 -0.014 0.000 2.490 366 V HA -0.107 4.011 4.120 -0.002 0.000 0.250 366 V C -0.580 175.508 176.094 -0.009 0.000 1.061 366 V CA 2.348 64.640 62.300 -0.014 0.000 1.064 366 V CB -0.699 31.118 31.823 -0.010 0.000 0.670 366 V HN 0.368 nan 8.190 nan 0.000 0.461 367 P HA -0.113 nan 4.420 nan 0.000 0.215 367 P C 1.579 178.878 177.300 -0.002 0.000 1.153 367 P CA 1.841 64.939 63.100 -0.004 0.000 0.853 367 P CB -0.396 31.302 31.700 -0.003 0.000 0.788 368 G N -1.318 107.481 108.800 -0.003 0.000 2.484 368 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.218 368 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.218 368 G C 1.205 176.110 174.900 0.008 0.000 1.130 368 G CA 0.366 45.467 45.100 0.001 0.000 0.784 368 G HN 0.136 nan 8.290 nan 0.000 0.543 369 L N -0.019 121.207 121.223 0.005 0.000 2.202 369 L HA 0.298 4.637 4.340 -0.002 0.000 0.205 369 L C 2.575 179.454 176.870 0.015 0.000 1.083 369 L CA 0.758 55.607 54.840 0.015 0.000 0.790 369 L CB -0.956 41.108 42.059 0.010 0.000 0.942 369 L HN 0.191 nan 8.230 nan 0.000 0.452 370 R N 0.817 121.320 120.500 0.004 0.000 2.154 370 R HA -0.223 4.116 4.340 -0.002 0.000 0.248 370 R C 1.380 177.683 176.300 0.005 0.000 1.155 370 R CA 2.087 58.188 56.100 0.001 0.000 0.979 370 R CB 0.136 30.432 30.300 -0.007 0.000 0.869 370 R HN 0.671 nan 8.270 nan 0.000 0.452 371 E N -1.294 118.912 120.200 0.009 0.000 2.676 371 E HA 0.117 4.466 4.350 -0.002 0.000 0.225 371 E C 0.195 176.805 176.600 0.017 0.000 0.944 371 E CA -0.403 56.003 56.400 0.009 0.000 1.156 371 E CB 0.013 29.715 29.700 0.004 0.000 1.117 371 E HN 0.234 nan 8.360 nan 0.000 0.523 372 I N 3.351 123.938 120.570 0.028 0.000 2.529 372 I HA 0.091 4.260 4.170 -0.002 0.000 0.284 372 I C -0.100 176.036 176.117 0.033 0.000 1.082 372 I CA -0.581 60.747 61.300 0.047 0.000 1.406 372 I CB 0.499 38.548 38.000 0.082 0.000 1.405 372 I HN 0.121 nan 8.210 nan 0.000 0.548 373 R N 7.932 128.447 120.500 0.025 0.000 2.514 373 R HA 0.473 4.812 4.340 -0.002 0.000 0.301 373 R C -1.826 174.430 176.300 -0.073 0.000 0.962 373 R CA -0.582 55.508 56.100 -0.017 0.000 0.882 373 R CB 1.597 31.885 30.300 -0.020 0.000 1.143 373 R HN 0.434 nan 8.270 nan 0.000 0.452 374 V N 3.667 123.480 119.914 -0.168 0.000 2.398 374 V HA 0.491 4.610 4.120 -0.002 0.000 0.286 374 V C -2.539 173.345 176.094 -0.350 0.000 1.026 374 V CA -2.466 59.563 62.300 -0.452 0.000 0.868 374 V CB 1.568 33.111 31.823 -0.467 0.000 0.982 374 V HN 0.718 nan 8.190 nan 0.000 0.443 375 P HA 0.341 nan 4.420 nan 0.000 0.271 375 P C 0.815 178.033 177.300 -0.135 0.000 1.233 375 P CA 1.299 64.277 63.100 -0.204 0.000 0.764 375 P CB 0.944 32.534 31.700 -0.183 0.000 0.825 376 G N 2.791 111.575 108.800 -0.027 0.000 2.166 376 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.260 376 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.260 376 G C 0.099 175.041 174.900 0.071 0.000 0.986 376 G CA -0.286 44.847 45.100 0.055 0.000 0.683 376 G HN 0.503 nan 8.290 nan 0.000 0.527 377 R N -0.278 120.225 120.500 0.006 0.000 2.335 377 R HA 0.486 4.825 4.340 -0.002 0.000 0.302 377 R C 0.696 177.020 176.300 0.041 0.000 1.147 377 R CA -1.321 54.807 56.100 0.047 0.000 1.111 377 R CB 0.399 30.702 30.300 0.005 0.000 1.122 377 R HN 0.495 nan 8.270 nan 0.000 0.557 378 L N 0.837 122.105 121.223 0.075 0.000 3.742 378 L HA -0.244 4.095 4.340 -0.002 0.000 0.431 378 L C 0.406 177.290 176.870 0.024 0.000 1.220 378 L CA 1.016 55.890 54.840 0.056 0.000 0.863 378 L CB -1.465 40.620 42.059 0.044 0.000 1.751 378 L HN 0.666 nan 8.230 nan 0.000 0.922 379 E N 1.014 121.228 120.200 0.023 0.000 2.166 379 E HA 0.258 4.607 4.350 -0.002 0.000 0.279 379 E C 0.567 177.177 176.600 0.015 0.000 1.095 379 E CA -0.430 55.973 56.400 0.004 0.000 0.888 379 E CB 0.513 30.212 29.700 -0.002 0.000 1.041 379 E HN 0.530 nan 8.360 nan 0.000 0.414 380 Q N 4.401 124.204 119.800 0.005 0.000 2.259 380 Q HA 0.351 4.690 4.340 -0.002 0.000 0.246 380 Q C -0.419 175.574 176.000 -0.012 0.000 0.920 380 Q CA -0.630 55.174 55.803 0.002 0.000 0.895 380 Q CB 1.291 30.026 28.738 -0.006 0.000 1.220 380 Q HN 0.405 nan 8.270 nan 0.000 0.439 381 I N 3.108 123.665 120.570 -0.022 0.000 2.411 381 I HA 0.147 4.316 4.170 -0.002 0.000 0.284 381 I C -0.870 175.203 176.117 -0.074 0.000 1.012 381 I CA -0.736 60.543 61.300 -0.034 0.000 1.119 381 I CB 1.182 39.171 38.000 -0.018 0.000 1.261 381 I HN 0.848 nan 8.210 nan 0.000 0.448 382 D N 5.177 125.534 120.400 -0.073 0.000 3.018 382 D HA 0.186 4.824 4.640 -0.002 0.000 0.331 382 D C 0.932 177.183 176.300 -0.082 0.000 1.334 382 D CA -0.561 53.378 54.000 -0.101 0.000 0.900 382 D CB 0.599 41.342 40.800 -0.095 0.000 1.059 382 D HN 0.084 nan 8.370 nan 0.000 0.498 383 R N 0.258 120.714 120.500 -0.074 0.000 2.115 383 R HA 0.204 4.543 4.340 -0.002 0.000 0.230 383 R C 1.539 177.806 176.300 -0.056 0.000 1.111 383 R CA 1.294 57.362 56.100 -0.053 0.000 0.976 383 R CB -0.410 29.867 30.300 -0.038 0.000 0.870 383 R HN 0.451 nan 8.270 nan 0.000 0.445 384 G N -1.505 107.245 108.800 -0.084 0.000 3.365 384 G HA2 0.319 4.278 3.960 -0.002 0.000 0.185 384 G HA3 0.319 4.278 3.960 -0.002 0.000 0.185 384 G C -0.674 174.171 174.900 -0.091 0.000 1.565 384 G CA 0.045 45.100 45.100 -0.076 0.000 0.984 384 G HN 0.204 nan 8.290 nan 0.000 0.604 385 Q N -3.445 116.292 119.800 -0.106 0.000 2.626 385 Q HA 0.540 4.878 4.340 -0.002 0.000 0.300 385 Q C 0.066 175.977 176.000 -0.148 0.000 0.988 385 Q CA 0.414 56.153 55.803 -0.107 0.000 0.761 385 Q CB 1.426 30.137 28.738 -0.045 0.000 1.494 385 Q HN 1.406 nan 8.270 nan 0.000 0.439 386 G N -0.199 108.538 108.800 -0.105 0.000 3.753 386 G HA2 0.041 4.000 3.960 -0.002 0.000 0.196 386 G HA3 0.041 4.000 3.960 -0.002 0.000 0.196 386 G C -0.817 174.173 174.900 0.151 0.000 1.538 386 G CA 0.055 45.190 45.100 0.057 0.000 1.040 386 G HN 1.098 nan 8.290 nan 0.000 0.427 387 F N -0.969 118.988 119.950 0.011 0.000 2.741 387 F HA 0.847 5.373 4.527 -0.002 0.000 0.313 387 F C -1.197 174.623 175.800 0.034 0.000 1.153 387 F CA -1.693 56.319 58.000 0.021 0.000 0.931 387 F CB 0.820 39.835 39.000 0.026 0.000 1.335 387 F HN 0.248 nan 8.300 nan 0.000 0.460 388 L N 2.528 123.875 121.223 0.207 0.000 2.319 388 L HA 0.747 5.086 4.340 -0.002 0.000 0.280 388 L C -0.265 176.712 176.870 0.178 0.000 1.099 388 L CA -0.614 54.288 54.840 0.103 0.000 0.828 388 L CB 0.339 42.464 42.059 0.110 0.000 1.150 388 L HN 0.937 nan 8.230 nan 0.000 0.442 389 A N 6.300 129.151 122.820 0.051 0.000 2.357 389 A HA 0.772 5.091 4.320 -0.002 0.000 0.295 389 A C -1.344 176.282 177.584 0.071 0.000 1.121 389 A CA -0.434 51.664 52.037 0.102 0.000 0.742 389 A CB 0.731 19.744 19.000 0.022 0.000 1.181 389 A HN 0.556 nan 8.150 nan 0.000 0.454 390 L N 2.192 123.476 121.223 0.101 0.000 2.381 390 L HA 0.643 4.981 4.340 -0.002 0.000 0.268 390 L C -0.487 176.438 176.870 0.092 0.000 0.997 390 L CA -0.662 54.227 54.840 0.081 0.000 0.818 390 L CB 2.353 44.461 42.059 0.082 0.000 1.310 390 L HN 0.415 nan 8.230 nan 0.000 0.416 391 V N 0.967 120.929 119.914 0.081 0.000 2.435 391 V HA 0.551 4.670 4.120 -0.002 0.000 0.290 391 V C -0.940 175.215 176.094 0.101 0.000 1.030 391 V CA -0.408 61.949 62.300 0.095 0.000 0.881 391 V CB 1.743 33.619 31.823 0.088 0.000 0.983 391 V HN 0.735 nan 8.190 nan 0.000 0.445 392 D N 1.086 121.559 120.400 0.120 0.000 2.732 392 D HA 0.346 4.985 4.640 -0.002 0.000 0.229 392 D C 0.042 176.461 176.300 0.199 0.000 1.152 392 D CA -0.530 53.557 54.000 0.146 0.000 0.854 392 D CB 1.668 42.542 40.800 0.123 0.000 1.590 392 D HN 0.434 nan 8.370 nan 0.000 0.468 393 Y N 2.827 123.172 120.300 0.076 0.000 2.421 393 Y HA 0.230 4.780 4.550 -0.001 0.000 0.292 393 Y C 0.822 176.787 175.900 0.108 0.000 1.136 393 Y CA 0.687 58.832 58.100 0.076 0.000 1.255 393 Y CB -0.493 38.034 38.460 0.112 0.000 0.991 393 Y HN 0.475 nan 8.280 nan 0.000 0.552 394 A N 3.048 125.924 122.820 0.092 0.000 2.515 394 A HA 0.002 4.320 4.320 -0.002 0.000 0.276 394 A C -0.019 177.560 177.584 -0.009 0.000 1.104 394 A CA 0.438 52.482 52.037 0.011 0.000 0.822 394 A CB -1.429 17.559 19.000 -0.020 0.000 1.016 394 A HN 0.598 nan 8.150 nan 0.000 0.530 395 H N 0.797 119.692 119.070 -0.293 0.000 2.630 395 H HA 0.785 5.341 4.556 -0.001 0.000 0.343 395 H C -0.247 174.953 175.328 -0.213 0.000 1.232 395 H CA -1.253 54.655 56.048 -0.234 0.000 1.294 395 H CB 0.341 29.956 29.762 -0.246 0.000 1.746 395 H HN 0.623 nan 8.280 nan 0.000 0.593 396 K N -1.062 119.147 120.400 -0.317 0.000 6.650 396 K HA -0.123 4.196 4.320 -0.002 0.000 0.632 396 K C -2.529 173.928 176.600 -0.237 0.000 2.550 396 K CA 0.292 56.380 56.287 -0.331 0.000 1.969 396 K CB -0.872 31.337 32.500 -0.484 0.000 2.515 396 K HN 0.411 nan 8.250 nan 0.000 0.176 397 P HA -0.282 nan 4.420 nan 0.000 0.214 397 P C 1.228 178.443 177.300 -0.142 0.000 1.163 397 P CA 1.451 64.463 63.100 -0.147 0.000 0.889 397 P CB 0.124 31.760 31.700 -0.106 0.000 0.790 398 E N 0.077 120.195 120.200 -0.135 0.000 2.031 398 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 398 E C 1.919 178.441 176.600 -0.131 0.000 0.994 398 E CA 1.731 58.062 56.400 -0.115 0.000 0.800 398 E CB -0.699 28.943 29.700 -0.096 0.000 0.752 398 E HN 0.046 nan 8.360 nan 0.000 0.447 399 A N 1.438 124.165 122.820 -0.155 0.000 1.908 399 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 399 A C 2.296 179.798 177.584 -0.136 0.000 1.181 399 A CA 1.623 53.572 52.037 -0.147 0.000 0.627 399 A CB -0.815 18.098 19.000 -0.145 0.000 0.818 399 A HN 0.372 nan 8.150 nan 0.000 0.445 400 L N -0.461 120.665 121.223 -0.163 0.000 2.046 400 L HA -0.116 4.222 4.340 -0.002 0.000 0.208 400 L C 2.499 179.289 176.870 -0.133 0.000 1.077 400 L CA 2.331 57.065 54.840 -0.177 0.000 0.747 400 L CB -0.486 41.405 42.059 -0.281 0.000 0.896 400 L HN 0.480 nan 8.230 nan 0.000 0.432 401 R N -0.848 119.580 120.500 -0.119 0.000 2.081 401 R HA -0.165 4.173 4.340 -0.002 0.000 0.235 401 R C 2.444 178.705 176.300 -0.065 0.000 1.131 401 R CA 1.779 57.828 56.100 -0.084 0.000 0.960 401 R CB -0.278 29.977 30.300 -0.075 0.000 0.856 401 R HN 0.643 nan 8.270 nan 0.000 0.436 402 S N -0.755 114.893 115.700 -0.086 0.000 2.377 402 S HA -0.051 4.418 4.470 -0.002 0.000 0.223 402 S C 2.053 176.632 174.600 -0.035 0.000 1.030 402 S CA 0.985 59.133 58.200 -0.086 0.000 0.970 402 S CB -0.430 62.663 63.200 -0.179 0.000 0.830 402 S HN 0.131 nan 8.310 nan 0.000 0.473 403 V N 2.658 122.551 119.914 -0.035 0.000 2.255 403 V HA -0.175 3.944 4.120 -0.002 0.000 0.247 403 V C 2.624 178.753 176.094 0.058 0.000 1.051 403 V CA 2.028 64.356 62.300 0.047 0.000 1.018 403 V CB -0.963 30.877 31.823 0.029 0.000 0.641 403 V HN 0.451 nan 8.190 nan 0.000 0.445 404 L N 0.250 121.481 121.223 0.014 0.000 1.970 404 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 404 L C 2.866 179.762 176.870 0.043 0.000 1.071 404 L CA 2.358 57.212 54.840 0.023 0.000 0.751 404 L CB -1.415 40.638 42.059 -0.010 0.000 0.889 404 L HN 0.583 nan 8.230 nan 0.000 0.432 405 T N -2.967 111.606 114.554 0.031 0.000 2.624 405 T HA -0.251 4.098 4.350 -0.002 0.000 0.268 405 T C 1.634 176.377 174.700 0.070 0.000 1.041 405 T CA 1.939 64.064 62.100 0.041 0.000 1.159 405 T CB -1.296 67.587 68.868 0.025 0.000 0.863 405 T HN 0.505 nan 8.240 nan 0.000 0.434 406 T N -0.900 113.711 114.554 0.095 0.000 3.215 406 T HA 0.248 4.597 4.350 -0.002 0.000 0.254 406 T C 1.301 176.066 174.700 0.110 0.000 1.149 406 T CA 0.053 62.227 62.100 0.123 0.000 1.042 406 T CB -0.260 68.731 68.868 0.205 0.000 0.966 406 T HN 0.165 nan 8.240 nan 0.000 0.534 407 L N 0.144 121.428 121.223 0.101 0.000 2.672 407 L HA 0.602 4.941 4.340 -0.002 0.000 0.236 407 L C 1.292 178.230 176.870 0.113 0.000 1.092 407 L CA -0.259 54.641 54.840 0.100 0.000 0.887 407 L CB -0.205 41.912 42.059 0.097 0.000 1.168 407 L HN 0.377 nan 8.230 nan 0.000 0.502 408 A N -1.259 121.628 122.820 0.110 0.000 2.354 408 A HA 0.494 4.813 4.320 -0.002 0.000 0.269 408 A C -0.863 176.824 177.584 0.171 0.000 1.109 408 A CA 0.065 52.176 52.037 0.123 0.000 0.800 408 A CB 0.040 19.091 19.000 0.085 0.000 1.045 408 A HN 0.385 nan 8.150 nan 0.000 0.489 409 H N 1.011 120.114 119.070 0.055 0.000 2.928 409 H HA 0.553 5.108 4.556 -0.002 0.000 0.371 409 H C -2.659 172.694 175.328 0.042 0.000 1.186 409 H CA -1.701 54.375 56.048 0.046 0.000 1.134 409 H CB 1.681 31.471 29.762 0.047 0.000 1.824 409 H HN 0.379 nan 8.280 nan 0.000 0.554 410 P HA 0.041 nan 4.420 nan 0.000 0.243 410 P C -0.817 176.415 177.300 -0.113 0.000 1.134 410 P CA 0.964 63.822 63.100 -0.403 0.000 1.109 410 P CB -0.487 30.885 31.700 -0.546 0.000 1.140 411 D N 3.091 123.499 120.400 0.014 0.000 10.657 411 D HA -0.209 4.429 4.640 -0.002 0.000 0.325 411 D C 0.595 176.997 176.300 0.170 0.000 3.084 411 D CA 1.119 55.174 54.000 0.091 0.000 2.723 411 D CB 0.165 41.017 40.800 0.087 0.000 1.185 411 D HN 0.701 nan 8.370 nan 0.000 0.923 412 R N 1.526 122.097 120.500 0.118 0.000 1.847 412 R HA -0.060 4.279 4.340 -0.002 0.000 0.061 412 R C -0.515 175.844 176.300 0.098 0.000 0.719 412 R CA 0.699 56.863 56.100 0.106 0.000 2.775 412 R CB -0.579 29.802 30.300 0.136 0.000 0.810 412 R HN 0.700 nan 8.270 nan 0.000 0.564 413 R N 0.484 121.066 120.500 0.136 0.000 1.156 413 R HA -0.048 4.291 4.340 -0.002 0.000 0.422 413 R C -1.426 175.061 176.300 0.312 0.000 1.346 413 R CA 0.932 57.168 56.100 0.226 0.000 1.139 413 R CB -0.673 29.737 30.300 0.184 0.000 3.355 413 R HN 0.322 nan 8.270 nan 0.000 0.502 414 L N 2.274 123.680 121.223 0.305 0.000 2.376 414 L HA 0.790 5.129 4.340 -0.002 0.000 0.275 414 L C -0.525 176.411 176.870 0.110 0.000 0.987 414 L CA -0.497 54.474 54.840 0.219 0.000 0.828 414 L CB 1.696 43.839 42.059 0.139 0.000 1.249 414 L HN 0.830 nan 8.230 nan 0.000 0.409 415 A N 4.677 127.510 122.820 0.022 0.000 2.350 415 A HA 0.857 5.176 4.320 -0.002 0.000 0.324 415 A C -1.303 176.239 177.584 -0.069 0.000 1.118 415 A CA -0.492 51.390 52.037 -0.257 0.000 0.783 415 A CB 1.854 20.440 19.000 -0.690 0.000 1.236 415 A HN 0.425 nan 8.150 nan 0.000 0.457 416 V N 1.996 121.875 119.914 -0.059 0.000 2.569 416 V HA 0.539 4.658 4.120 -0.002 0.000 0.301 416 V C -0.416 175.739 176.094 0.102 0.000 1.044 416 V CA -0.681 61.654 62.300 0.060 0.000 0.874 416 V CB 1.211 33.101 31.823 0.113 0.000 1.002 416 V HN 1.043 nan 8.190 nan 0.000 0.424 417 V N 7.138 127.122 119.914 0.117 0.000 2.398 417 V HA 0.951 5.069 4.120 -0.002 0.000 0.286 417 V C -0.818 175.400 176.094 0.206 0.000 1.026 417 V CA -0.196 62.160 62.300 0.094 0.000 0.868 417 V CB 1.113 32.958 31.823 0.036 0.000 0.982 417 V HN 0.994 nan 8.190 nan 0.000 0.443 418 F N 4.121 124.048 119.950 -0.038 0.000 2.831 418 F HA 1.036 5.562 4.527 -0.002 0.000 0.318 418 F C -0.274 175.494 175.800 -0.053 0.000 1.174 418 F CA -0.105 57.872 58.000 -0.039 0.000 0.918 418 F CB 1.116 40.099 39.000 -0.028 0.000 1.364 418 F HN 0.943 nan 8.300 nan 0.000 0.475 419 G N -0.270 108.549 108.800 0.032 0.000 2.554 419 G HA2 0.779 4.738 3.960 -0.002 0.000 0.306 419 G HA3 0.779 4.738 3.960 -0.002 0.000 0.306 419 G C -2.279 172.686 174.900 0.108 0.000 1.320 419 G CA -0.397 44.642 45.100 -0.101 0.000 0.800 419 G HN 1.381 nan 8.290 nan 0.000 0.481 420 A N -1.482 121.357 122.820 0.031 0.000 2.387 420 A HA 0.948 5.267 4.320 -0.002 0.000 0.303 420 A C 0.288 177.873 177.584 0.000 0.000 1.145 420 A CA -0.015 52.049 52.037 0.046 0.000 0.801 420 A CB 1.413 20.445 19.000 0.053 0.000 1.342 420 A HN 1.936 nan 8.150 nan 0.000 0.440 421 G N -0.560 108.243 108.800 0.004 0.000 2.377 421 G HA2 0.514 4.473 3.960 -0.002 0.000 0.299 421 G HA3 0.514 4.473 3.960 -0.002 0.000 0.299 421 G C 0.266 175.159 174.900 -0.012 0.000 1.150 421 G CA 0.164 45.256 45.100 -0.013 0.000 0.847 421 G HN 1.121 nan 8.290 nan 0.000 0.501 422 G N 0.657 109.445 108.800 -0.020 0.000 2.415 422 G HA2 0.438 4.397 3.960 -0.002 0.000 0.269 422 G HA3 0.438 4.397 3.960 -0.002 0.000 0.269 422 G C -0.002 174.892 174.900 -0.011 0.000 1.209 422 G CA -0.082 45.007 45.100 -0.017 0.000 0.835 422 G HN 0.674 nan 8.290 nan 0.000 0.534 423 D N -0.497 119.899 120.400 -0.007 0.000 3.017 423 D HA -0.109 4.530 4.640 -0.002 0.000 0.220 423 D C 0.427 176.728 176.300 0.002 0.000 1.141 423 D CA 0.875 54.874 54.000 -0.002 0.000 0.848 423 D CB -0.606 40.192 40.800 -0.002 0.000 1.102 423 D HN 0.383 nan 8.370 nan 0.000 0.427 424 R N 0.339 120.840 120.500 0.002 0.000 2.807 424 R HA 0.395 4.734 4.340 -0.002 0.000 0.276 424 R C -0.459 175.843 176.300 0.005 0.000 0.979 424 R CA -0.893 55.211 56.100 0.007 0.000 0.928 424 R CB 0.900 31.206 30.300 0.011 0.000 1.191 424 R HN -0.036 nan 8.270 nan 0.000 0.471 425 D N 2.298 122.701 120.400 0.005 0.000 2.570 425 D HA -0.019 4.620 4.640 -0.002 0.000 0.243 425 D C -1.252 175.047 176.300 -0.002 0.000 1.171 425 D CA -0.575 53.426 54.000 0.001 0.000 0.879 425 D CB 0.862 41.661 40.800 -0.002 0.000 1.143 425 D HN 0.118 nan 8.370 nan 0.000 0.511 426 P HA 0.030 nan 4.420 nan 0.000 0.222 426 P C 1.500 178.798 177.300 -0.003 0.000 1.153 426 P CA 0.560 63.659 63.100 -0.002 0.000 0.798 426 P CB 0.128 31.826 31.700 -0.003 0.000 0.796 427 G N 1.421 110.217 108.800 -0.007 0.000 2.562 427 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.223 427 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.223 427 G C 1.522 176.413 174.900 -0.014 0.000 1.102 427 G CA 1.142 46.236 45.100 -0.010 0.000 0.742 427 G HN 0.398 nan 8.290 nan 0.000 0.587 428 K N 0.422 120.812 120.400 -0.017 0.000 2.228 428 K HA 0.023 4.342 4.320 -0.002 0.000 0.202 428 K C 2.514 179.113 176.600 -0.001 0.000 1.051 428 K CA 0.505 56.777 56.287 -0.025 0.000 0.960 428 K CB -0.196 32.281 32.500 -0.039 0.000 0.743 428 K HN 0.268 nan 8.250 nan 0.000 0.458 429 R N 0.733 121.242 120.500 0.016 0.000 2.070 429 R HA -0.064 4.275 4.340 -0.002 0.000 0.233 429 R C 2.575 178.903 176.300 0.047 0.000 1.137 429 R CA 1.480 57.606 56.100 0.045 0.000 0.945 429 R CB -0.632 29.685 30.300 0.027 0.000 0.845 429 R HN 0.271 nan 8.270 nan 0.000 0.430 430 A N 2.086 124.919 122.820 0.021 0.000 1.859 430 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 430 A C -0.363 177.234 177.584 0.022 0.000 1.209 430 A CA 1.803 53.850 52.037 0.017 0.000 0.639 430 A CB -1.685 17.318 19.000 0.004 0.000 0.835 430 A HN 0.260 nan 8.150 nan 0.000 0.450 431 P HA -0.052 nan 4.420 nan 0.000 0.225 431 P C 1.631 178.930 177.300 -0.003 0.000 1.156 431 P CA 1.265 64.364 63.100 -0.002 0.000 0.787 431 P CB -0.157 31.532 31.700 -0.019 0.000 0.802 432 M N 0.185 119.788 119.600 0.005 0.000 2.108 432 M HA -0.077 4.402 4.480 -0.002 0.000 0.261 432 M C 2.090 178.423 176.300 0.055 0.000 1.066 432 M CA 2.452 57.738 55.300 -0.023 0.000 1.107 432 M CB -0.950 31.653 32.600 0.005 0.000 1.356 432 M HN -0.063 nan 8.290 nan 0.000 0.406 433 G N -0.797 108.119 108.800 0.194 0.000 2.408 433 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.217 433 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.217 433 G C 1.589 176.555 174.900 0.110 0.000 1.150 433 G CA 1.164 46.413 45.100 0.247 0.000 0.776 433 G HN 0.545 nan 8.290 nan 0.000 0.542 434 R N 0.672 121.205 120.500 0.054 0.000 2.083 434 R HA 0.044 4.383 4.340 -0.002 0.000 0.237 434 R C 2.431 178.737 176.300 0.011 0.000 1.137 434 R CA 1.707 57.822 56.100 0.024 0.000 0.951 434 R CB -1.119 29.186 30.300 0.009 0.000 0.851 434 R HN 0.414 nan 8.270 nan 0.000 0.434 435 I N 1.011 121.575 120.570 -0.011 0.000 2.151 435 I HA -0.260 3.909 4.170 -0.002 0.000 0.243 435 I C 3.061 179.161 176.117 -0.028 0.000 1.080 435 I CA 1.828 63.106 61.300 -0.037 0.000 1.339 435 I CB -0.335 37.616 38.000 -0.082 0.000 1.039 435 I HN 0.478 nan 8.210 nan 0.000 0.409 436 A N 0.205 123.016 122.820 -0.015 0.000 1.933 436 A HA -0.158 4.161 4.320 -0.002 0.000 0.218 436 A C 2.498 180.110 177.584 0.047 0.000 1.175 436 A CA 1.895 53.950 52.037 0.030 0.000 0.628 436 A CB -0.972 18.137 19.000 0.182 0.000 0.814 436 A HN 0.439 nan 8.150 nan 0.000 0.444 437 A N -0.999 121.848 122.820 0.045 0.000 1.873 437 A HA -0.165 4.154 4.320 -0.002 0.000 0.215 437 A C 2.121 179.718 177.584 0.022 0.000 1.186 437 A CA 1.742 53.799 52.037 0.032 0.000 0.616 437 A CB -0.537 18.480 19.000 0.028 0.000 0.823 437 A HN 0.561 nan 8.150 nan 0.000 0.442 438 Q N -0.703 119.106 119.800 0.015 0.000 2.084 438 Q HA -0.056 4.283 4.340 -0.002 0.000 0.202 438 Q C 1.927 177.936 176.000 0.016 0.000 0.978 438 Q CA 1.803 57.613 55.803 0.012 0.000 0.844 438 Q CB -0.169 28.572 28.738 0.004 0.000 0.898 438 Q HN 0.693 nan 8.270 nan 0.000 0.426 439 L N -1.251 119.981 121.223 0.015 0.000 2.388 439 L HA 0.282 4.621 4.340 -0.002 0.000 0.209 439 L C 0.856 177.746 176.870 0.033 0.000 1.061 439 L CA -0.160 54.692 54.840 0.020 0.000 0.834 439 L CB -0.017 42.047 42.059 0.008 0.000 1.029 439 L HN 0.042 nan 8.230 nan 0.000 0.473 440 A N -0.144 122.694 122.820 0.030 0.000 2.296 440 A HA 0.130 4.449 4.320 -0.002 0.000 0.264 440 A C 0.286 177.895 177.584 0.041 0.000 1.097 440 A CA -0.117 51.941 52.037 0.034 0.000 0.811 440 A CB 0.282 19.293 19.000 0.019 0.000 1.072 440 A HN 0.172 nan 8.150 nan 0.000 0.495 441 D N -1.103 119.328 120.400 0.050 0.000 2.431 441 D HA 0.137 4.776 4.640 -0.002 0.000 0.227 441 D C -0.104 176.206 176.300 0.017 0.000 1.030 441 D CA 0.474 54.526 54.000 0.087 0.000 0.897 441 D CB 0.398 41.321 40.800 0.205 0.000 1.058 441 D HN 0.296 nan 8.370 nan 0.000 0.500 442 L N 2.100 123.231 121.223 -0.152 0.000 2.343 442 L HA 0.412 4.751 4.340 -0.002 0.000 0.278 442 L C -1.298 175.428 176.870 -0.241 0.000 0.996 442 L CA -0.609 54.023 54.840 -0.345 0.000 0.831 442 L CB 2.126 43.566 42.059 -1.032 0.000 1.232 442 L HN -0.266 nan 8.230 nan 0.000 0.413 443 V N 6.364 126.192 119.914 -0.142 0.000 2.448 443 V HA 0.567 4.686 4.120 -0.002 0.000 0.295 443 V C -1.051 174.965 176.094 -0.130 0.000 1.025 443 V CA -0.225 62.031 62.300 -0.073 0.000 0.859 443 V CB 1.978 33.822 31.823 0.034 0.000 0.988 443 V HN 0.472 nan 8.190 nan 0.000 0.431 444 V N 7.153 126.983 119.914 -0.140 0.000 2.357 444 V HA 0.453 4.571 4.120 -0.002 0.000 0.284 444 V C -0.026 175.904 176.094 -0.274 0.000 1.018 444 V CA -0.532 61.652 62.300 -0.194 0.000 0.841 444 V CB 1.621 33.351 31.823 -0.155 0.000 0.991 444 V HN 0.764 nan 8.190 nan 0.000 0.437 445 V N 5.478 125.200 119.914 -0.321 0.000 2.407 445 V HA 0.644 4.763 4.120 -0.002 0.000 0.278 445 V C 0.598 176.517 176.094 -0.291 0.000 1.037 445 V CA 0.012 62.053 62.300 -0.432 0.000 0.900 445 V CB 1.359 32.935 31.823 -0.412 0.000 0.983 445 V HN 1.070 nan 8.190 nan 0.000 0.459 446 T N 1.025 115.410 114.554 -0.281 0.000 2.604 446 T HA 0.475 4.824 4.350 -0.002 0.000 0.267 446 T C -1.257 173.337 174.700 -0.177 0.000 0.923 446 T CA -0.907 61.079 62.100 -0.191 0.000 1.077 446 T CB 1.294 70.071 68.868 -0.152 0.000 1.392 446 T HN 0.453 nan 8.240 nan 0.000 0.531 447 D N 1.731 122.035 120.400 -0.160 0.000 2.329 447 D HA 0.547 5.185 4.640 -0.002 0.000 0.232 447 D C -1.172 175.023 176.300 -0.174 0.000 1.088 447 D CA -0.127 53.784 54.000 -0.149 0.000 0.835 447 D CB 1.531 42.252 40.800 -0.133 0.000 1.078 447 D HN 0.445 nan 8.370 nan 0.000 0.495 448 D N 0.980 121.304 120.400 -0.127 0.000 2.163 448 D HA 0.091 4.729 4.640 -0.002 0.000 0.248 448 D C 0.028 176.273 176.300 -0.093 0.000 1.035 448 D CA -0.560 53.370 54.000 -0.116 0.000 0.872 448 D CB 0.795 41.558 40.800 -0.061 0.000 1.183 448 D HN 0.091 nan 8.370 nan 0.000 0.445 449 N N 4.551 123.195 118.700 -0.094 0.000 2.998 449 N HA -0.166 4.572 4.740 -0.002 0.000 0.310 449 N C -1.925 173.554 175.510 -0.051 0.000 1.111 449 N CA -0.049 52.961 53.050 -0.067 0.000 0.815 449 N CB -0.111 38.346 38.487 -0.050 0.000 0.986 449 N HN 0.418 nan 8.380 nan 0.000 0.616 450 P HA -0.081 nan 4.420 nan 0.000 0.223 450 P C 0.632 177.914 177.300 -0.030 0.000 1.151 450 P CA 0.532 63.606 63.100 -0.043 0.000 0.787 450 P CB 0.346 32.017 31.700 -0.048 0.000 0.788 451 R N -0.870 119.614 120.500 -0.027 0.000 3.750 451 R HA -0.247 4.092 4.340 -0.002 0.000 0.495 451 R C 1.279 177.570 176.300 -0.016 0.000 0.241 451 R CA 2.042 58.131 56.100 -0.018 0.000 1.551 451 R CB -2.401 27.891 30.300 -0.014 0.000 0.956 451 R HN 0.065 nan 8.270 nan 0.000 0.584 452 D N 0.510 120.903 120.400 -0.012 0.000 2.219 452 D HA -0.006 4.633 4.640 -0.002 0.000 0.205 452 D C 0.312 176.605 176.300 -0.012 0.000 0.970 452 D CA 1.083 55.077 54.000 -0.010 0.000 0.851 452 D CB -0.067 40.729 40.800 -0.006 0.000 0.943 452 D HN 0.329 nan 8.370 nan 0.000 0.488 453 E N 0.779 120.970 120.200 -0.014 0.000 2.373 453 E HA 0.014 4.363 4.350 -0.002 0.000 0.267 453 E C -0.537 176.051 176.600 -0.021 0.000 1.032 453 E CA -0.419 55.971 56.400 -0.016 0.000 0.889 453 E CB 0.677 30.367 29.700 -0.017 0.000 0.984 453 E HN -0.053 nan 8.360 nan 0.000 0.425 454 D N 4.625 125.013 120.400 -0.021 0.000 2.371 454 D HA 0.037 4.676 4.640 -0.002 0.000 0.256 454 D C -1.825 174.455 176.300 -0.032 0.000 1.193 454 D CA -1.418 52.567 54.000 -0.024 0.000 0.881 454 D CB 1.214 42.001 40.800 -0.021 0.000 1.143 454 D HN 0.185 nan 8.370 nan 0.000 0.473 455 P HA -0.144 nan 4.420 nan 0.000 0.215 455 P C 1.082 178.350 177.300 -0.054 0.000 1.153 455 P CA 1.247 64.318 63.100 -0.049 0.000 0.853 455 P CB 0.125 31.793 31.700 -0.053 0.000 0.788 456 T N -0.710 113.815 114.554 -0.047 0.000 2.821 456 T HA -0.077 4.272 4.350 -0.002 0.000 0.267 456 T C 1.925 176.598 174.700 -0.046 0.000 1.046 456 T CA 1.402 63.472 62.100 -0.049 0.000 1.139 456 T CB -0.901 67.942 68.868 -0.042 0.000 0.871 456 T HN 0.055 nan 8.240 nan 0.000 0.454 457 A N 1.241 124.039 122.820 -0.037 0.000 1.940 457 A HA -0.044 4.274 4.320 -0.002 0.000 0.219 457 A C 2.250 179.813 177.584 -0.035 0.000 1.176 457 A CA 1.247 53.265 52.037 -0.032 0.000 0.631 457 A CB -0.773 18.212 19.000 -0.025 0.000 0.814 457 A HN 0.521 nan 8.150 nan 0.000 0.446 458 I N -1.015 119.531 120.570 -0.040 0.000 2.202 458 I HA -0.240 3.928 4.170 -0.002 0.000 0.242 458 I C 2.748 178.831 176.117 -0.058 0.000 1.091 458 I CA 1.359 62.634 61.300 -0.042 0.000 1.368 458 I CB -0.315 37.659 38.000 -0.044 0.000 1.058 458 I HN 0.239 nan 8.210 nan 0.000 0.410 459 R N 0.482 120.935 120.500 -0.078 0.000 2.096 459 R HA -0.160 4.179 4.340 -0.002 0.000 0.235 459 R C 2.767 179.015 176.300 -0.087 0.000 1.127 459 R CA 1.573 57.608 56.100 -0.108 0.000 0.968 459 R CB -0.585 29.642 30.300 -0.121 0.000 0.861 459 R HN 0.372 nan 8.270 nan 0.000 0.440 460 R N 1.498 121.959 120.500 -0.063 0.000 2.083 460 R HA -0.204 4.135 4.340 -0.002 0.000 0.237 460 R C 1.846 178.122 176.300 -0.039 0.000 1.137 460 R CA 2.056 58.127 56.100 -0.049 0.000 0.951 460 R CB -1.260 29.017 30.300 -0.038 0.000 0.851 460 R HN 0.465 nan 8.270 nan 0.000 0.434 461 E N -0.391 119.790 120.200 -0.032 0.000 2.150 461 E HA -0.048 4.301 4.350 -0.002 0.000 0.193 461 E C 2.046 178.640 176.600 -0.009 0.000 0.985 461 E CA 1.032 57.421 56.400 -0.018 0.000 0.814 461 E CB -0.144 29.549 29.700 -0.012 0.000 0.752 461 E HN 0.649 nan 8.360 nan 0.000 0.466 462 I N 0.464 121.024 120.570 -0.017 0.000 2.252 462 I HA -0.282 3.886 4.170 -0.002 0.000 0.245 462 I C 2.121 178.234 176.117 -0.007 0.000 1.102 462 I CA 0.868 62.170 61.300 0.004 0.000 1.385 462 I CB -0.067 37.908 38.000 -0.043 0.000 1.064 462 I HN 0.158 nan 8.210 nan 0.000 0.414 463 L N 0.246 121.443 121.223 -0.043 0.000 2.083 463 L HA -0.192 4.147 4.340 -0.002 0.000 0.209 463 L C 2.797 179.655 176.870 -0.020 0.000 1.083 463 L CA 1.197 56.011 54.840 -0.042 0.000 0.752 463 L CB -0.770 41.254 42.059 -0.060 0.000 0.899 463 L HN 0.236 nan 8.230 nan 0.000 0.433 464 A N 0.475 123.285 122.820 -0.017 0.000 1.917 464 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 464 A C 2.426 180.010 177.584 -0.001 0.000 1.182 464 A CA 1.954 53.985 52.037 -0.009 0.000 0.633 464 A CB -1.342 17.652 19.000 -0.009 0.000 0.819 464 A HN 0.450 nan 8.150 nan 0.000 0.448 465 G N -0.739 108.066 108.800 0.008 0.000 2.418 465 G HA2 0.031 3.990 3.960 -0.002 0.000 0.217 465 G HA3 0.031 3.990 3.960 -0.002 0.000 0.217 465 G C 1.626 176.537 174.900 0.018 0.000 1.158 465 G CA 1.269 46.379 45.100 0.017 0.000 0.771 465 G HN 0.899 nan 8.290 nan 0.000 0.545 466 A N 0.675 123.508 122.820 0.021 0.000 2.168 466 A HA 0.517 4.836 4.320 -0.002 0.000 0.215 466 A C 2.338 179.927 177.584 0.009 0.000 1.152 466 A CA 1.335 53.385 52.037 0.022 0.000 0.716 466 A CB -0.307 18.709 19.000 0.027 0.000 0.794 466 A HN 0.728 nan 8.150 nan 0.000 0.465 467 A N 0.024 122.846 122.820 0.003 0.000 2.250 467 A HA 0.126 4.445 4.320 -0.002 0.000 0.208 467 A C 1.048 178.633 177.584 0.002 0.000 1.254 467 A CA 0.675 52.712 52.037 -0.001 0.000 0.858 467 A CB -0.232 18.765 19.000 -0.004 0.000 0.820 467 A HN 0.384 nan 8.150 nan 0.000 0.484 468 E N -0.927 119.276 120.200 0.005 0.000 2.481 468 E HA 0.068 4.417 4.350 -0.002 0.000 0.198 468 E C 0.384 176.988 176.600 0.006 0.000 1.027 468 E CA -0.027 56.376 56.400 0.004 0.000 0.900 468 E CB -0.225 29.477 29.700 0.004 0.000 0.993 468 E HN 0.200 nan 8.360 nan 0.000 0.482 469 V N 2.224 122.143 119.914 0.008 0.000 1.956 469 V HA 0.171 4.290 4.120 -0.002 0.000 0.248 469 V C 1.108 177.208 176.094 0.011 0.000 1.615 469 V CA 0.399 62.705 62.300 0.011 0.000 1.558 469 V CB -0.644 31.186 31.823 0.013 0.000 1.529 469 V HN 0.232 nan 8.190 nan 0.000 0.505 470 G N 2.650 111.456 108.800 0.009 0.000 3.155 470 G HA2 0.362 4.320 3.960 -0.002 0.000 0.213 470 G HA3 0.362 4.320 3.960 -0.002 0.000 0.213 470 G C 0.926 175.833 174.900 0.011 0.000 1.196 470 G CA 0.613 45.718 45.100 0.009 0.000 0.846 470 G HN 0.906 nan 8.290 nan 0.000 0.516 471 G N -0.611 108.198 108.800 0.014 0.000 3.851 471 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.194 471 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.194 471 G C 0.757 175.671 174.900 0.023 0.000 1.402 471 G CA 0.829 45.940 45.100 0.017 0.000 0.901 471 G HN 0.216 nan 8.290 nan 0.000 0.685 472 D N 1.513 121.928 120.400 0.024 0.000 2.128 472 D HA 0.398 5.036 4.640 -0.002 0.000 0.213 472 D C 1.881 178.206 176.300 0.040 0.000 0.983 472 D CA 1.335 55.354 54.000 0.032 0.000 0.889 472 D CB -0.391 40.426 40.800 0.030 0.000 1.018 472 D HN 0.434 nan 8.370 nan 0.000 0.448 473 A N -0.621 122.220 122.820 0.035 0.000 2.251 473 A HA 0.407 4.726 4.320 -0.002 0.000 0.278 473 A C -0.068 177.534 177.584 0.031 0.000 1.206 473 A CA -0.118 51.940 52.037 0.035 0.000 0.822 473 A CB 0.390 19.404 19.000 0.023 0.000 1.187 473 A HN 0.385 nan 8.150 nan 0.000 0.504 474 Q N 0.027 119.837 119.800 0.017 0.000 2.483 474 Q HA 0.458 4.797 4.340 -0.002 0.000 0.245 474 Q C -2.053 173.927 176.000 -0.032 0.000 0.902 474 Q CA -0.332 55.477 55.803 0.011 0.000 0.767 474 Q CB 1.561 30.329 28.738 0.050 0.000 1.341 474 Q HN 0.796 nan 8.270 nan 0.000 0.453 475 V N 4.220 124.113 119.914 -0.035 0.000 2.472 475 V HA 0.802 4.921 4.120 -0.002 0.000 0.290 475 V C -1.077 174.965 176.094 -0.086 0.000 1.037 475 V CA -0.203 62.059 62.300 -0.063 0.000 0.908 475 V CB 1.629 33.425 31.823 -0.046 0.000 0.985 475 V HN 0.554 nan 8.190 nan 0.000 0.454 476 V N 5.573 125.408 119.914 -0.132 0.000 3.040 476 V HA 0.693 4.812 4.120 -0.002 0.000 0.312 476 V C -0.874 175.109 176.094 -0.185 0.000 1.115 476 V CA -0.488 61.714 62.300 -0.163 0.000 0.998 476 V CB 2.192 33.881 31.823 -0.223 0.000 1.042 476 V HN 1.075 nan 8.190 nan 0.000 0.433 477 E N 4.299 124.396 120.200 -0.172 0.000 2.182 477 E HA 0.525 4.874 4.350 -0.002 0.000 0.258 477 E C -1.666 174.836 176.600 -0.163 0.000 0.879 477 E CA -0.572 55.728 56.400 -0.167 0.000 0.754 477 E CB 1.466 31.087 29.700 -0.131 0.000 1.162 477 E HN 0.704 nan 8.360 nan 0.000 0.419 478 I N 4.542 125.010 120.570 -0.170 0.000 2.448 478 I HA 0.268 4.437 4.170 -0.002 0.000 0.281 478 I C 0.944 176.995 176.117 -0.110 0.000 1.027 478 I CA -0.371 60.848 61.300 -0.135 0.000 1.111 478 I CB 1.702 39.613 38.000 -0.147 0.000 1.236 478 I HN 0.681 nan 8.210 nan 0.000 0.452 479 A N 3.986 126.752 122.820 -0.089 0.000 1.865 479 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 479 A C 1.005 178.543 177.584 -0.076 0.000 1.191 479 A CA 1.246 53.233 52.037 -0.084 0.000 0.623 479 A CB -0.441 18.519 19.000 -0.066 0.000 0.826 479 A HN 0.756 nan 8.150 nan 0.000 0.444 480 D N -1.555 118.817 120.400 -0.046 0.000 2.382 480 D HA 0.252 4.891 4.640 -0.002 0.000 0.259 480 D C 1.234 177.525 176.300 -0.014 0.000 1.224 480 D CA 0.001 53.988 54.000 -0.021 0.000 0.894 480 D CB 0.652 41.462 40.800 0.016 0.000 1.127 480 D HN 0.257 nan 8.370 nan 0.000 0.487 481 R N 3.178 123.643 120.500 -0.059 0.000 2.091 481 R HA -0.220 4.119 4.340 -0.002 0.000 0.238 481 R C 1.970 178.365 176.300 0.158 0.000 1.136 481 R CA 1.661 57.709 56.100 -0.087 0.000 0.959 481 R CB -0.006 29.999 30.300 -0.492 0.000 0.856 481 R HN 0.405 nan 8.270 nan 0.000 0.437 482 R N 0.733 121.417 120.500 0.307 0.000 2.073 482 R HA -0.117 4.222 4.340 -0.002 0.000 0.234 482 R C 1.348 177.748 176.300 0.167 0.000 1.134 482 R CA 2.386 58.672 56.100 0.311 0.000 0.952 482 R CB -0.677 29.777 30.300 0.256 0.000 0.850 482 R HN 0.287 nan 8.270 nan 0.000 0.433 483 D N 0.309 120.780 120.400 0.118 0.000 2.178 483 D HA -0.064 4.575 4.640 -0.002 0.000 0.202 483 D C 1.729 178.092 176.300 0.105 0.000 0.974 483 D CA 1.518 55.576 54.000 0.096 0.000 0.841 483 D CB -0.381 40.459 40.800 0.066 0.000 0.953 483 D HN 0.428 nan 8.370 nan 0.000 0.478 484 A N 0.842 123.707 122.820 0.074 0.000 1.883 484 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 484 A C 2.345 179.995 177.584 0.110 0.000 1.186 484 A CA 1.044 53.112 52.037 0.051 0.000 0.624 484 A CB -0.751 18.246 19.000 -0.006 0.000 0.822 484 A HN 0.197 nan 8.150 nan 0.000 0.444 485 I N -0.924 119.725 120.570 0.132 0.000 2.179 485 I HA -0.258 3.911 4.170 -0.002 0.000 0.242 485 I C 2.711 178.917 176.117 0.148 0.000 1.088 485 I CA 1.141 62.530 61.300 0.147 0.000 1.357 485 I CB -0.380 37.724 38.000 0.172 0.000 1.051 485 I HN 0.226 nan 8.210 nan 0.000 0.409 486 R N 0.001 120.585 120.500 0.140 0.000 2.091 486 R HA -0.244 4.094 4.340 -0.002 0.000 0.238 486 R C 2.241 178.622 176.300 0.135 0.000 1.136 486 R CA 1.826 58.001 56.100 0.125 0.000 0.959 486 R CB -1.211 29.152 30.300 0.105 0.000 0.856 486 R HN 0.502 nan 8.270 nan 0.000 0.437 487 H N 0.657 119.765 119.070 0.063 0.000 2.290 487 H HA -0.062 4.493 4.556 -0.002 0.000 0.298 487 H C 1.909 177.287 175.328 0.084 0.000 1.087 487 H CA 2.266 58.348 56.048 0.058 0.000 1.291 487 H CB -0.064 29.707 29.762 0.015 0.000 1.369 487 H HN 0.258 nan 8.280 nan 0.000 0.492 488 A N -0.168 122.758 122.820 0.177 0.000 1.930 488 A HA -0.096 4.223 4.320 -0.002 0.000 0.217 488 A C 2.666 180.368 177.584 0.197 0.000 1.175 488 A CA 1.474 53.580 52.037 0.115 0.000 0.627 488 A CB -0.834 18.200 19.000 0.056 0.000 0.815 488 A HN 0.338 nan 8.150 nan 0.000 0.443 489 V N -0.087 119.931 119.914 0.174 0.000 2.261 489 V HA -0.266 3.853 4.120 -0.002 0.000 0.246 489 V C 3.018 179.165 176.094 0.088 0.000 1.047 489 V CA 2.040 64.459 62.300 0.198 0.000 1.015 489 V CB -1.178 30.782 31.823 0.228 0.000 0.642 489 V HN 0.596 nan 8.190 nan 0.000 0.446 490 A N -1.495 121.361 122.820 0.061 0.000 2.125 490 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 490 A C 1.913 179.474 177.584 -0.038 0.000 1.156 490 A CA 1.574 53.610 52.037 -0.002 0.000 0.671 490 A CB -0.865 18.124 19.000 -0.019 0.000 0.794 490 A HN 0.839 nan 8.150 nan 0.000 0.459 491 W N 0.529 121.691 121.300 -0.231 0.000 2.658 491 W HA 0.426 5.084 4.660 -0.002 0.000 0.263 491 W C 1.116 177.490 176.519 -0.241 0.000 1.274 491 W CA 0.285 57.495 57.345 -0.224 0.000 1.343 491 W CB -0.094 29.245 29.460 -0.201 0.000 1.106 491 W HN 0.332 nan 8.180 nan 0.000 0.615 492 A N 1.790 124.419 122.820 -0.318 0.000 2.409 492 A HA 0.612 4.931 4.320 -0.002 0.000 0.246 492 A C 0.249 177.380 177.584 -0.755 0.000 1.099 492 A CA 0.644 52.228 52.037 -0.755 0.000 0.789 492 A CB -0.213 17.969 19.000 -1.363 0.000 1.053 492 A HN 0.493 nan 8.150 nan 0.000 0.503 493 R N 0.184 120.303 120.500 -0.635 0.000 2.651 493 R HA 0.656 4.995 4.340 -0.002 0.000 0.278 493 R C -3.313 172.891 176.300 -0.159 0.000 1.010 493 R CA -1.673 54.212 56.100 -0.358 0.000 0.896 493 R CB -0.072 30.030 30.300 -0.331 0.000 1.211 493 R HN 0.647 nan 8.270 nan 0.000 0.456 494 P HA 0.100 nan 4.420 nan 0.000 0.255 494 P C 1.010 178.348 177.300 0.063 0.000 1.161 494 P CA 2.430 65.588 63.100 0.095 0.000 0.768 494 P CB 0.677 32.414 31.700 0.062 0.000 0.746 495 G N 2.354 111.228 108.800 0.124 0.000 2.238 495 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.217 495 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.217 495 G C 0.097 175.057 174.900 0.100 0.000 0.996 495 G CA -0.354 44.797 45.100 0.086 0.000 0.632 495 G HN 0.466 nan 8.290 nan 0.000 0.503 496 D N -0.266 120.183 120.400 0.083 0.000 2.363 496 D HA 0.489 5.128 4.640 -0.002 0.000 0.240 496 D C 0.349 176.788 176.300 0.231 0.000 1.236 496 D CA 0.585 54.633 54.000 0.081 0.000 0.927 496 D CB 1.944 42.670 40.800 -0.123 0.000 1.150 496 D HN 0.753 nan 8.370 nan 0.000 0.458 497 V N 0.833 120.903 119.914 0.261 0.000 2.525 497 V HA 0.465 4.583 4.120 -0.002 0.000 0.299 497 V C -1.110 175.162 176.094 0.296 0.000 1.034 497 V CA -0.688 61.781 62.300 0.281 0.000 0.863 497 V CB 1.684 33.623 31.823 0.193 0.000 0.999 497 V HN 0.293 nan 8.190 nan 0.000 0.423 498 V N 8.020 128.128 119.914 0.324 0.000 2.483 498 V HA 0.823 4.942 4.120 -0.002 0.000 0.295 498 V C -1.133 175.072 176.094 0.185 0.000 1.035 498 V CA -0.516 61.936 62.300 0.253 0.000 0.896 498 V CB 1.653 33.652 31.823 0.293 0.000 0.986 498 V HN 1.017 nan 8.190 nan 0.000 0.447 499 L N 7.496 128.799 121.223 0.135 0.000 2.404 499 L HA 0.628 4.966 4.340 -0.002 0.000 0.272 499 L C -0.905 176.034 176.870 0.114 0.000 0.980 499 L CA -0.318 54.591 54.840 0.116 0.000 0.836 499 L CB 1.751 43.867 42.059 0.096 0.000 1.238 499 L HN 0.618 nan 8.230 nan 0.000 0.408 500 I N 5.099 125.742 120.570 0.120 0.000 2.306 500 I HA 0.607 4.776 4.170 -0.002 0.000 0.288 500 I C 0.377 176.569 176.117 0.124 0.000 1.036 500 I CA -0.367 61.009 61.300 0.127 0.000 1.221 500 I CB 0.541 38.623 38.000 0.137 0.000 1.385 500 I HN 0.713 nan 8.210 nan 0.000 0.472 501 A N 3.837 126.736 122.820 0.132 0.000 2.337 501 A HA 0.840 5.158 4.320 -0.002 0.000 0.331 501 A C 0.813 178.464 177.584 0.110 0.000 1.137 501 A CA 0.133 52.233 52.037 0.105 0.000 0.807 501 A CB 1.529 20.555 19.000 0.044 0.000 1.250 501 A HN 1.134 nan 8.150 nan 0.000 0.468 502 G N 0.010 108.850 108.800 0.066 0.000 2.195 502 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.224 502 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.224 502 G C 0.687 175.573 174.900 -0.024 0.000 0.990 502 G CA 0.670 45.781 45.100 0.017 0.000 0.639 502 G HN 0.720 nan 8.290 nan 0.000 0.514 503 K N -0.459 119.980 120.400 0.064 0.000 2.443 503 K HA 0.408 4.727 4.320 -0.002 0.000 0.200 503 K C 2.061 178.782 176.600 0.202 0.000 1.278 503 K CA 0.787 57.123 56.287 0.083 0.000 0.925 503 K CB 0.714 33.247 32.500 0.055 0.000 1.225 503 K HN 1.037 nan 8.250 nan 0.000 0.514 504 G N 2.874 111.816 108.800 0.236 0.000 2.665 504 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.326 504 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.326 504 G C 0.733 175.700 174.900 0.112 0.000 1.231 504 G CA 1.156 46.389 45.100 0.222 0.000 0.992 504 G HN 0.584 nan 8.290 nan 0.000 0.549 505 H N 1.589 120.621 119.070 -0.063 0.000 2.535 505 H HA 0.300 4.855 4.556 -0.003 0.000 0.273 505 H C 1.038 176.348 175.328 -0.029 0.000 0.983 505 H CA 1.305 57.311 56.048 -0.070 0.000 1.238 505 H CB -0.002 29.676 29.762 -0.140 0.000 1.412 505 H HN 0.435 nan 8.280 nan 0.000 0.562 506 E N 2.745 122.611 120.200 -0.558 0.000 2.289 506 E HA 0.145 4.494 4.350 -0.002 0.000 0.278 506 E C 0.155 176.683 176.600 -0.121 0.000 1.032 506 E CA -0.123 56.024 56.400 -0.422 0.000 0.854 506 E CB 1.093 30.541 29.700 -0.421 0.000 1.046 506 E HN 0.556 nan 8.360 nan 0.000 0.409 507 T N 0.763 115.283 114.554 -0.056 0.000 2.892 507 T HA 0.800 5.149 4.350 -0.002 0.000 0.280 507 T C 0.625 175.353 174.700 0.046 0.000 1.004 507 T CA -0.208 61.911 62.100 0.032 0.000 0.950 507 T CB 0.785 69.676 68.868 0.039 0.000 1.309 507 T HN 0.774 nan 8.240 nan 0.000 0.592 508 G N -0.074 108.786 108.800 0.101 0.000 2.819 508 G HA2 0.035 3.994 3.960 -0.002 0.000 0.682 508 G HA3 0.035 3.994 3.960 -0.002 0.000 0.682 508 G C -1.035 173.902 174.900 0.062 0.000 1.481 508 G CA -0.636 44.517 45.100 0.089 0.000 0.904 508 G HN 0.842 nan 8.290 nan 0.000 0.563 509 Q N -0.207 119.615 119.800 0.037 0.000 2.290 509 Q HA 0.658 4.997 4.340 -0.002 0.000 0.269 509 Q C 0.403 176.389 176.000 -0.023 0.000 1.016 509 Q CA -0.142 55.637 55.803 -0.040 0.000 0.754 509 Q CB 1.806 30.491 28.738 -0.088 0.000 1.247 509 Q HN 1.286 nan 8.270 nan 0.000 0.451 510 R N 0.718 121.198 120.500 -0.034 0.000 2.205 510 R HA 0.669 5.008 4.340 -0.002 0.000 0.342 510 R C 0.234 176.518 176.300 -0.027 0.000 1.058 510 R CA -0.049 56.038 56.100 -0.022 0.000 0.904 510 R CB 0.578 30.866 30.300 -0.019 0.000 1.089 510 R HN 0.623 nan 8.270 nan 0.000 0.471 511 G N 0.890 109.679 108.800 -0.018 0.000 2.728 511 G HA2 0.578 4.537 3.960 -0.002 0.000 0.296 511 G HA3 0.578 4.537 3.960 -0.002 0.000 0.296 511 G C 0.868 175.761 174.900 -0.011 0.000 1.401 511 G CA 0.440 45.528 45.100 -0.019 0.000 1.007 511 G HN 1.575 nan 8.290 nan 0.000 0.527 512 G N 2.190 110.983 108.800 -0.011 0.000 2.629 512 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.313 512 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.313 512 G C 1.241 176.138 174.900 -0.004 0.000 1.217 512 G CA 0.538 45.633 45.100 -0.007 0.000 0.994 512 G HN 1.773 nan 8.290 nan 0.000 0.549 513 G N 0.482 109.281 108.800 -0.002 0.000 3.609 513 G HA2 0.681 4.639 3.960 -0.002 0.000 0.280 513 G HA3 0.681 4.639 3.960 -0.002 0.000 0.280 513 G C 0.420 175.321 174.900 0.002 0.000 1.155 513 G CA 1.593 46.693 45.100 0.000 0.000 0.876 513 G HN 1.530 nan 8.290 nan 0.000 0.535 514 R N -0.581 119.919 120.500 0.002 0.000 2.621 514 R HA 0.771 5.110 4.340 -0.002 0.000 0.292 514 R C -1.297 175.006 176.300 0.006 0.000 0.969 514 R CA -0.639 55.464 56.100 0.005 0.000 0.887 514 R CB 1.730 32.034 30.300 0.007 0.000 1.180 514 R HN 0.498 nan 8.270 nan 0.000 0.450 515 V N 4.443 124.363 119.914 0.010 0.000 2.334 515 V HA 0.555 4.674 4.120 -0.002 0.000 0.281 515 V C -0.389 175.721 176.094 0.027 0.000 1.016 515 V CA -0.755 61.553 62.300 0.014 0.000 0.832 515 V CB 1.136 32.966 31.823 0.011 0.000 0.999 515 V HN 0.932 nan 8.190 nan 0.000 0.439 516 R N 7.556 128.080 120.500 0.041 0.000 2.404 516 R HA 0.487 4.826 4.340 -0.002 0.000 0.291 516 R C -2.528 173.830 176.300 0.096 0.000 1.025 516 R CA -1.910 54.229 56.100 0.064 0.000 0.991 516 R CB 0.855 31.201 30.300 0.077 0.000 1.053 516 R HN 0.517 nan 8.270 nan 0.000 0.479 517 P HA -0.003 nan 4.420 nan 0.000 0.267 517 P C -1.041 176.351 177.300 0.153 0.000 1.205 517 P CA 0.534 63.681 63.100 0.079 0.000 0.765 517 P CB 0.341 32.058 31.700 0.028 0.000 0.828 518 F N 2.126 122.073 119.950 -0.004 0.000 2.639 518 F HA 0.273 4.800 4.527 -0.001 0.000 0.320 518 F C -1.452 174.346 175.800 -0.003 0.000 1.128 518 F CA -0.565 57.434 58.000 -0.002 0.000 1.037 518 F CB 2.038 41.037 39.000 -0.003 0.000 1.288 518 F HN 0.151 nan 8.300 nan 0.000 0.463 519 D N 4.857 125.218 120.400 -0.066 0.000 2.476 519 D HA 0.184 4.823 4.640 -0.002 0.000 0.251 519 D C 0.197 176.503 176.300 0.010 0.000 1.291 519 D CA -0.229 53.794 54.000 0.038 0.000 0.939 519 D CB 1.476 42.263 40.800 -0.023 0.000 1.221 519 D HN 0.541 nan 8.370 nan 0.000 0.567 520 D N 2.301 122.828 120.400 0.211 0.000 2.239 520 D HA -0.154 4.485 4.640 -0.002 0.000 0.202 520 D C 1.721 178.079 176.300 0.097 0.000 0.993 520 D CA 1.113 55.251 54.000 0.229 0.000 0.874 520 D CB 0.384 41.310 40.800 0.212 0.000 0.922 520 D HN 0.467 nan 8.370 nan 0.000 0.464 521 R N -0.550 119.982 120.500 0.052 0.000 2.100 521 R HA 0.032 4.370 4.340 -0.002 0.000 0.220 521 R C 2.320 178.614 176.300 -0.010 0.000 1.091 521 R CA 0.357 56.473 56.100 0.026 0.000 0.986 521 R CB 0.013 30.328 30.300 0.025 0.000 0.888 521 R HN 0.071 nan 8.270 nan 0.000 0.444 522 V N 1.582 121.468 119.914 -0.047 0.000 2.283 522 V HA -0.125 3.994 4.120 -0.002 0.000 0.243 522 V C 0.774 176.810 176.094 -0.097 0.000 1.039 522 V CA 1.299 63.554 62.300 -0.075 0.000 1.016 522 V CB -0.328 31.437 31.823 -0.097 0.000 0.650 522 V HN 0.291 nan 8.190 nan 0.000 0.449 523 E N 0.435 120.532 120.200 -0.172 0.000 2.392 523 E HA 0.272 4.621 4.350 -0.002 0.000 0.264 523 E C 0.457 177.038 176.600 -0.032 0.000 1.024 523 E CA 0.197 56.511 56.400 -0.142 0.000 0.903 523 E CB 1.613 31.149 29.700 -0.274 0.000 0.963 523 E HN 0.197 nan 8.360 nan 0.000 0.432 524 L N 1.317 122.549 121.223 0.015 0.000 2.193 524 L HA -0.318 4.020 4.340 -0.002 0.000 0.487 524 L C 1.552 178.440 176.870 0.030 0.000 1.203 524 L CA 2.448 57.319 54.840 0.053 0.000 3.298 524 L CB -1.797 40.303 42.059 0.070 0.000 0.937 524 L HN 0.603 nan 8.230 nan 0.000 0.813 525 A N -0.147 122.676 122.820 0.005 0.000 1.883 525 A HA 0.180 4.498 4.320 -0.002 0.000 0.217 525 A C 2.314 179.893 177.584 -0.009 0.000 1.186 525 A CA 3.720 55.751 52.037 -0.009 0.000 0.624 525 A CB -1.076 17.913 19.000 -0.018 0.000 0.822 525 A HN 1.299 nan 8.150 nan 0.000 0.444 526 A N -0.169 122.642 122.820 -0.016 0.000 1.877 526 A HA 0.130 4.449 4.320 -0.002 0.000 0.216 526 A C 2.534 180.124 177.584 0.008 0.000 1.186 526 A CA 2.284 54.313 52.037 -0.014 0.000 0.620 526 A CB -1.114 17.866 19.000 -0.034 0.000 0.822 526 A HN 1.128 nan 8.150 nan 0.000 0.443 527 A N -0.301 122.534 122.820 0.025 0.000 1.908 527 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 527 A C 2.167 179.791 177.584 0.068 0.000 1.181 527 A CA 1.576 53.646 52.037 0.055 0.000 0.627 527 A CB -0.629 18.421 19.000 0.083 0.000 0.818 527 A HN 0.487 nan 8.150 nan 0.000 0.445 528 L N -1.086 120.172 121.223 0.058 0.000 2.093 528 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 528 L C 2.498 179.384 176.870 0.027 0.000 1.085 528 L CA 1.555 56.423 54.840 0.048 0.000 0.755 528 L CB -0.531 41.523 42.059 -0.008 0.000 0.904 528 L HN 0.410 nan 8.230 nan 0.000 0.435 529 E N 0.113 120.320 120.200 0.013 0.000 2.153 529 E HA -0.186 4.162 4.350 -0.002 0.000 0.194 529 E C 2.279 178.889 176.600 0.016 0.000 0.988 529 E CA 1.056 57.461 56.400 0.007 0.000 0.811 529 E CB -0.106 29.593 29.700 -0.001 0.000 0.746 529 E HN 0.483 nan 8.360 nan 0.000 0.466 530 A N 0.695 123.530 122.820 0.024 0.000 1.930 530 A HA -0.089 4.230 4.320 -0.002 0.000 0.217 530 A C 1.053 178.658 177.584 0.034 0.000 1.175 530 A CA 0.298 52.351 52.037 0.027 0.000 0.627 530 A CB -0.271 18.748 19.000 0.031 0.000 0.815 530 A HN 0.179 nan 8.150 nan 0.000 0.443 531 L N 1.230 122.481 121.223 0.048 0.000 2.827 531 L HA -0.038 4.301 4.340 -0.002 0.000 0.280 531 L C 1.302 178.197 176.870 0.042 0.000 1.122 531 L CA 0.973 55.849 54.840 0.059 0.000 1.044 531 L CB -1.139 40.979 42.059 0.098 0.000 1.402 531 L HN 0.584 nan 8.230 nan 0.000 0.467 532 E N 2.027 122.247 120.200 0.032 0.000 3.540 532 E HA -0.365 3.984 4.350 -0.002 0.000 0.294 532 E C 0.911 177.521 176.600 0.017 0.000 0.793 532 E CA 1.350 57.763 56.400 0.022 0.000 0.971 532 E CB -0.294 29.419 29.700 0.021 0.000 1.493 532 E HN 0.813 nan 8.360 nan 0.000 0.464 533 R N 0.000 120.511 120.500 0.019 0.000 2.786 533 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 533 R CA 0.000 56.107 56.100 0.012 0.000 0.921 533 R CB 0.000 30.306 30.300 0.011 0.000 0.687 533 R HN 0.000 nan 8.270 nan 0.000 0.535