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 3cs2_1_A DATA FIRST_RESID 34 DATA SEQUENCE GDRINTVRGP ITISEAGFTL THEHICASSA GFLRAWPEFF GSRKALAEKA DATA SEQUENCE VRGLRRARAA GVRTIVDVST FDIGRDVSLL AEVSRAADVH IVAATGLWFD DATA SEQUENCE PPLSMRLRSV EELTQFFLRE IQYGIEDTGI RAGIIXVATT GKATPFQELV DATA SEQUENCE LKAAARASLA TGVPVTTHTA ASQRDGEQQA AIFESEGLSP SRVCIGHSDD DATA SEQUENCE TDDLSYLTAL AARGYLIGLD HIPHSAIGLE DNASASALLG IRSWQTRALL DATA SEQUENCE IKALIDQGYM KQILVSNDWL FGFSSYVTNI MDVMDRVNPD GMAFIPLRVI DATA SEQUENCE PFLREKGVPQ ETLAGITVTN PARFLSPTLR A 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 34 G C 0.000 174.872 174.900 -0.047 0.000 0.946 34 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 35 D N 0.983 121.357 120.400 -0.042 0.000 2.367 35 D HA 0.063 4.718 4.640 0.025 0.000 0.207 35 D C 0.523 176.796 176.300 -0.045 0.000 1.034 35 D CA 0.227 54.204 54.000 -0.038 0.000 0.861 35 D CB 0.820 41.601 40.800 -0.030 0.000 0.943 35 D HN 0.303 nan 8.370 nan 0.000 0.515 36 R N 0.435 120.904 120.500 -0.052 0.000 2.686 36 R HA 0.531 4.886 4.340 0.025 0.000 0.283 36 R C -0.657 175.599 176.300 -0.073 0.000 0.978 36 R CA -0.729 55.335 56.100 -0.060 0.000 0.897 36 R CB 2.322 32.591 30.300 -0.052 0.000 1.192 36 R HN 0.003 nan 8.270 nan 0.000 0.457 37 I N 2.280 122.800 120.570 -0.084 0.000 2.336 37 I HA 0.190 4.375 4.170 0.025 0.000 0.292 37 I C 0.123 176.188 176.117 -0.088 0.000 0.991 37 I CA -0.786 60.459 61.300 -0.093 0.000 1.227 37 I CB 1.171 39.112 38.000 -0.099 0.000 1.366 37 I HN 0.208 nan 8.210 nan 0.000 0.466 38 N N 4.712 123.363 118.700 -0.080 0.000 2.470 38 N HA 0.210 4.965 4.740 0.025 0.000 0.268 38 N C -0.063 175.415 175.510 -0.053 0.000 1.136 38 N CA 0.056 53.068 53.050 -0.064 0.000 0.961 38 N CB 1.266 39.715 38.487 -0.063 0.000 1.067 38 N HN 0.702 nan 8.380 nan 0.000 0.468 39 T N -3.039 111.495 114.554 -0.034 0.000 2.883 39 T HA 0.330 4.695 4.350 0.025 0.000 0.284 39 T C 1.333 176.039 174.700 0.011 0.000 1.041 39 T CA -0.780 61.317 62.100 -0.005 0.000 1.007 39 T CB 0.707 69.588 68.868 0.023 0.000 1.220 39 T HN 0.112 nan 8.240 nan 0.000 0.552 40 V N -0.989 118.941 119.914 0.027 0.000 3.141 40 V HA 0.217 4.352 4.120 0.025 0.000 0.265 40 V C 1.751 177.864 176.094 0.031 0.000 1.126 40 V CA 0.701 63.017 62.300 0.026 0.000 1.141 40 V CB -1.225 30.614 31.823 0.027 0.000 0.743 40 V HN 0.814 nan 8.190 nan 0.000 0.492 41 R N 0.955 121.481 120.500 0.045 0.000 2.432 41 R HA 0.546 4.901 4.340 0.025 0.000 0.260 41 R C 0.915 177.236 176.300 0.034 0.000 0.935 41 R CA 0.518 56.645 56.100 0.044 0.000 1.080 41 R CB 0.716 31.055 30.300 0.066 0.000 1.155 41 R HN 0.716 nan 8.270 nan 0.000 0.531 42 G N 1.491 110.303 108.800 0.021 0.000 2.384 42 G HA2 -0.141 3.834 3.960 0.025 0.000 0.668 42 G HA3 -0.141 3.834 3.960 0.025 0.000 0.668 42 G C -3.061 171.832 174.900 -0.012 0.000 1.280 42 G CA -1.331 43.772 45.100 0.006 0.000 0.992 42 G HN -0.150 nan 8.290 nan 0.000 0.512 43 P HA 0.528 nan 4.420 nan 0.000 0.275 43 P C 0.118 177.382 177.300 -0.060 0.000 1.227 43 P CA -0.165 62.908 63.100 -0.044 0.000 0.781 43 P CB 0.687 32.365 31.700 -0.036 0.000 0.906 44 I N -1.286 119.222 120.570 -0.103 0.000 2.846 44 I HA 0.667 4.852 4.170 0.025 0.000 0.307 44 I C 0.152 176.203 176.117 -0.109 0.000 1.053 44 I CA -1.030 60.186 61.300 -0.139 0.000 1.050 44 I CB 2.170 39.978 38.000 -0.320 0.000 1.239 44 I HN 0.233 nan 8.210 nan 0.000 0.439 45 T N 0.957 115.459 114.554 -0.087 0.000 2.868 45 T HA 0.284 4.649 4.350 0.025 0.000 0.292 45 T C 1.333 175.991 174.700 -0.069 0.000 1.028 45 T CA -0.664 61.399 62.100 -0.062 0.000 1.059 45 T CB 0.960 69.806 68.868 -0.036 0.000 0.991 45 T HN 0.509 nan 8.240 nan 0.000 0.531 46 I N 1.921 122.460 120.570 -0.050 0.000 2.208 46 I HA -0.176 4.009 4.170 0.025 0.000 0.245 46 I C 2.861 178.961 176.117 -0.028 0.000 1.097 46 I CA 2.085 63.359 61.300 -0.042 0.000 1.363 46 I CB -2.071 35.910 38.000 -0.032 0.000 1.051 46 I HN 0.943 nan 8.210 nan 0.000 0.413 47 S N 0.197 115.886 115.700 -0.018 0.000 2.481 47 S HA -0.111 4.374 4.470 0.025 0.000 0.231 47 S C 1.678 176.285 174.600 0.012 0.000 0.996 47 S CA 0.671 58.871 58.200 -0.000 0.000 0.942 47 S CB -0.429 62.774 63.200 0.005 0.000 0.768 47 S HN 0.520 nan 8.310 nan 0.000 0.520 48 E N 1.126 121.320 120.200 -0.010 0.000 2.274 48 E HA 0.069 4.434 4.350 0.025 0.000 0.194 48 E C 2.270 178.884 176.600 0.023 0.000 0.996 48 E CA 0.674 57.081 56.400 0.012 0.000 0.840 48 E CB -0.303 29.361 29.700 -0.059 0.000 0.772 48 E HN 0.755 nan 8.360 nan 0.000 0.491 49 A N 1.331 124.136 122.820 -0.025 0.000 1.902 49 A HA 0.016 4.351 4.320 0.025 0.000 0.217 49 A C 1.609 179.263 177.584 0.117 0.000 1.181 49 A CA 1.464 53.511 52.037 0.017 0.000 0.623 49 A CB -1.063 17.932 19.000 -0.008 0.000 0.818 49 A HN 0.365 nan 8.150 nan 0.000 0.443 50 G N -1.432 107.425 108.800 0.095 0.000 2.575 50 G HA2 -0.246 3.729 3.960 0.025 0.000 0.267 50 G HA3 -0.246 3.729 3.960 0.025 0.000 0.267 50 G C 0.045 175.038 174.900 0.154 0.000 1.264 50 G CA 0.060 45.237 45.100 0.129 0.000 0.935 50 G HN 1.171 nan 8.290 nan 0.000 0.568 51 F N 2.563 122.541 119.950 0.046 0.000 2.590 51 F HA 0.471 5.012 4.527 0.024 0.000 0.389 51 F C 0.898 176.729 175.800 0.053 0.000 1.049 51 F CA 1.062 59.087 58.000 0.041 0.000 1.199 51 F CB 0.348 39.367 39.000 0.032 0.000 1.058 51 F HN 0.468 nan 8.300 nan 0.000 0.556 52 T N 7.811 122.399 114.554 0.056 0.000 2.841 52 T HA 0.440 4.805 4.350 0.025 0.000 0.285 52 T C -0.457 174.297 174.700 0.090 0.000 0.991 52 T CA -0.651 61.528 62.100 0.131 0.000 0.966 52 T CB 1.090 69.996 68.868 0.062 0.000 0.962 52 T HN 0.378 nan 8.240 nan 0.000 0.438 53 L N 3.486 124.822 121.223 0.188 0.000 2.260 53 L HA 0.327 4.683 4.340 0.025 0.000 0.289 53 L C 1.714 178.649 176.870 0.109 0.000 1.057 53 L CA -0.512 54.422 54.840 0.158 0.000 0.811 53 L CB 0.937 43.116 42.059 0.200 0.000 1.184 53 L HN 0.853 nan 8.230 nan 0.000 0.429 54 T N -2.112 112.495 114.554 0.088 0.000 3.107 54 T HA 0.011 4.377 4.350 0.025 0.000 0.249 54 T C 0.377 175.136 174.700 0.098 0.000 1.096 54 T CA 0.212 62.366 62.100 0.090 0.000 1.012 54 T CB -0.255 68.653 68.868 0.066 0.000 0.977 54 T HN 0.602 nan 8.240 nan 0.000 0.527 55 H N 0.683 119.755 119.070 0.003 0.000 3.239 55 H HA 0.495 5.066 4.556 0.025 0.000 0.320 55 H C -1.158 174.137 175.328 -0.054 0.000 1.074 55 H CA -0.484 55.539 56.048 -0.041 0.000 1.553 55 H CB 0.667 30.424 29.762 -0.009 0.000 1.752 55 H HN 0.042 nan 8.280 nan 0.000 0.513 56 E N 2.733 122.822 120.200 -0.184 0.000 2.458 56 E HA 0.331 4.696 4.350 0.025 0.000 0.278 56 E C -0.990 175.265 176.600 -0.576 0.000 1.004 56 E CA -0.912 55.400 56.400 -0.147 0.000 0.823 56 E CB 2.105 31.810 29.700 0.009 0.000 1.396 56 E HN 0.600 nan 8.360 nan 0.000 0.463 57 H N 0.558 119.593 119.070 -0.058 0.000 2.806 57 H HA 0.314 4.886 4.556 0.027 0.000 0.367 57 H C 1.006 176.297 175.328 -0.063 0.000 1.136 57 H CA -0.600 55.383 56.048 -0.108 0.000 1.178 57 H CB 1.851 31.491 29.762 -0.203 0.000 1.718 57 H HN 0.275 nan 8.280 nan 0.000 0.540 58 I N 0.495 121.145 120.570 0.133 0.000 2.193 58 I HA -0.112 4.073 4.170 0.025 0.000 0.240 58 I C 1.250 177.456 176.117 0.149 0.000 1.084 58 I CA 1.191 62.635 61.300 0.241 0.000 1.365 58 I CB -0.139 37.960 38.000 0.165 0.000 1.064 58 I HN 0.355 nan 8.210 nan 0.000 0.410 59 C N 1.258 120.576 119.300 0.029 0.000 2.642 59 C HA 0.759 5.234 4.460 0.025 0.000 0.344 59 C C -0.116 174.800 174.990 -0.124 0.000 1.110 59 C CA -0.836 58.147 59.018 -0.058 0.000 1.298 59 C CB 0.458 28.103 27.740 -0.158 0.000 1.827 59 C HN 0.430 nan 8.230 nan 0.000 0.467 60 A N 4.873 127.572 122.820 -0.202 0.000 2.260 60 A HA 0.736 5.071 4.320 0.025 0.000 0.312 60 A C 0.208 177.753 177.584 -0.066 0.000 1.321 60 A CA 0.204 52.033 52.037 -0.345 0.000 0.928 60 A CB 0.821 19.392 19.000 -0.715 0.000 1.158 60 A HN 1.170 nan 8.150 nan 0.000 0.542 61 S N 1.413 117.042 115.700 -0.118 0.000 3.952 61 S HA 0.841 5.326 4.470 0.025 0.000 0.293 61 S C -0.221 174.297 174.600 -0.136 0.000 1.090 61 S CA 0.026 58.203 58.200 -0.040 0.000 1.264 61 S CB 1.061 64.352 63.200 0.152 0.000 1.393 61 S HN 0.886 nan 8.310 nan 0.000 0.757 62 S N 0.396 116.048 115.700 -0.081 0.000 2.588 62 S HA 0.765 5.250 4.470 0.025 0.000 0.275 62 S C -0.808 173.758 174.600 -0.056 0.000 1.130 62 S CA -0.274 57.876 58.200 -0.083 0.000 0.855 62 S CB 1.406 64.552 63.200 -0.091 0.000 1.116 62 S HN 1.080 nan 8.310 nan 0.000 0.472 63 A N 0.599 123.292 122.820 -0.211 0.000 2.566 63 A HA 0.461 4.796 4.320 0.025 0.000 0.245 63 A C 1.569 179.106 177.584 -0.077 0.000 1.056 63 A CA 0.800 52.627 52.037 -0.349 0.000 0.757 63 A CB -1.353 17.158 19.000 -0.814 0.000 0.979 63 A HN 2.130 nan 8.150 nan 0.000 0.508 64 G N 1.558 110.350 108.800 -0.014 0.000 2.267 64 G HA2 -0.382 3.593 3.960 0.025 0.000 0.257 64 G HA3 -0.382 3.593 3.960 0.025 0.000 0.257 64 G C 0.886 175.867 174.900 0.135 0.000 0.998 64 G CA 1.061 46.200 45.100 0.066 0.000 0.620 64 G HN 1.307 nan 8.290 nan 0.000 0.529 65 F N 0.891 120.863 119.950 0.038 0.000 2.113 65 F HA 0.195 4.716 4.527 -0.010 0.000 0.297 65 F C 2.441 178.359 175.800 0.197 0.000 1.103 65 F CA 2.141 60.204 58.000 0.105 0.000 1.248 65 F CB -0.253 38.776 39.000 0.048 0.000 0.999 65 F HN 0.218 nan 8.300 nan 0.000 0.475 66 L N 1.011 122.418 121.223 0.306 0.000 2.079 66 L HA -0.190 4.165 4.340 0.025 0.000 0.210 66 L C 2.329 179.267 176.870 0.113 0.000 1.081 66 L CA 1.768 56.750 54.840 0.236 0.000 0.752 66 L CB -0.750 41.360 42.059 0.085 0.000 0.896 66 L HN 0.051 nan 8.230 nan 0.000 0.433 67 R N -0.636 119.910 120.500 0.076 0.000 2.119 67 R HA 0.108 4.464 4.340 0.025 0.000 0.222 67 R C 2.052 178.376 176.300 0.039 0.000 1.088 67 R CA 1.076 57.209 56.100 0.055 0.000 0.984 67 R CB -0.648 29.682 30.300 0.051 0.000 0.884 67 R HN 0.503 nan 8.270 nan 0.000 0.447 68 A N -0.791 122.036 122.820 0.012 0.000 2.021 68 A HA -0.054 4.281 4.320 0.025 0.000 0.216 68 A C 0.551 178.139 177.584 0.005 0.000 1.163 68 A CA 0.425 52.454 52.037 -0.013 0.000 0.676 68 A CB 0.042 19.027 19.000 -0.025 0.000 0.818 68 A HN 0.427 nan 8.150 nan 0.000 0.453 69 W N 0.515 121.635 121.300 -0.301 0.000 1.067 69 W HA 0.341 5.002 4.660 0.002 0.000 0.313 69 W C -2.714 173.713 176.519 -0.154 0.000 0.868 69 W CA -1.933 55.216 57.345 -0.327 0.000 1.561 69 W CB 0.820 29.865 29.460 -0.692 0.000 1.608 69 W HN 0.114 nan 8.180 nan 0.000 0.485 70 P HA -0.157 nan 4.420 nan 0.000 0.221 70 P C 0.878 178.364 177.300 0.309 0.000 1.150 70 P CA 1.622 64.911 63.100 0.314 0.000 0.800 70 P CB 0.488 32.308 31.700 0.199 0.000 0.787 71 E N -0.784 119.578 120.200 0.270 0.000 2.333 71 E HA -0.130 4.235 4.350 0.025 0.000 0.198 71 E C 1.550 178.165 176.600 0.026 0.000 1.007 71 E CA 0.543 57.061 56.400 0.196 0.000 0.845 71 E CB -1.217 28.640 29.700 0.262 0.000 0.766 71 E HN 0.275 nan 8.360 nan 0.000 0.507 72 F N -0.380 119.323 119.950 -0.412 0.000 2.333 72 F HA -0.101 4.456 4.527 0.049 0.000 0.300 72 F C 0.676 176.108 175.800 -0.614 0.000 1.083 72 F CA 0.941 58.458 58.000 -0.804 0.000 1.395 72 F CB 0.155 38.325 39.000 -1.383 0.000 1.056 72 F HN -0.052 nan 8.300 nan 0.000 0.529 73 F N 0.017 119.965 119.950 -0.004 0.000 2.750 73 F HA 0.406 4.940 4.527 0.011 0.000 0.297 73 F C 1.509 177.291 175.800 -0.030 0.000 1.138 73 F CA 0.276 58.273 58.000 -0.005 0.000 1.346 73 F CB 0.227 39.294 39.000 0.112 0.000 0.965 73 F HN 0.125 nan 8.300 nan 0.000 0.514 74 G N 0.816 109.645 108.800 0.048 0.000 4.655 74 G HA2 -0.302 3.673 3.960 0.025 0.000 0.220 74 G HA3 -0.302 3.673 3.960 0.025 0.000 0.220 74 G C 0.328 175.286 174.900 0.098 0.000 1.403 74 G CA 0.323 45.456 45.100 0.056 0.000 0.931 74 G HN 0.876 nan 8.290 nan 0.000 0.654 75 S N -1.441 114.339 115.700 0.134 0.000 2.611 75 S HA 0.689 5.175 4.470 0.025 0.000 0.268 75 S C 0.366 175.043 174.600 0.129 0.000 1.156 75 S CA 0.582 58.859 58.200 0.128 0.000 0.817 75 S CB 1.745 64.993 63.200 0.079 0.000 1.122 75 S HN 0.902 nan 8.310 nan 0.000 0.466 76 R N 0.977 121.537 120.500 0.101 0.000 2.096 76 R HA -0.045 4.310 4.340 0.025 0.000 0.235 76 R C 2.099 178.413 176.300 0.022 0.000 1.127 76 R CA 1.591 57.720 56.100 0.048 0.000 0.968 76 R CB -0.363 29.960 30.300 0.038 0.000 0.861 76 R HN 0.729 nan 8.270 nan 0.000 0.440 77 K N 0.172 120.590 120.400 0.030 0.000 2.032 77 K HA -0.143 4.192 4.320 0.025 0.000 0.209 77 K C 1.859 178.465 176.600 0.010 0.000 1.048 77 K CA 1.574 57.870 56.287 0.014 0.000 0.927 77 K CB -0.187 32.323 32.500 0.017 0.000 0.712 77 K HN 0.261 nan 8.250 nan 0.000 0.441 78 A N 1.414 124.252 122.820 0.029 0.000 1.933 78 A HA -0.150 4.185 4.320 0.025 0.000 0.218 78 A C 2.061 179.660 177.584 0.025 0.000 1.175 78 A CA 1.295 53.350 52.037 0.030 0.000 0.628 78 A CB -0.486 18.545 19.000 0.051 0.000 0.814 78 A HN 0.403 nan 8.150 nan 0.000 0.444 79 L N -0.321 120.921 121.223 0.030 0.000 2.027 79 L HA 0.020 4.375 4.340 0.025 0.000 0.206 79 L C 2.622 179.464 176.870 -0.047 0.000 1.074 79 L CA 2.201 57.044 54.840 0.004 0.000 0.745 79 L CB -0.829 41.190 42.059 -0.067 0.000 0.898 79 L HN 0.304 nan 8.230 nan 0.000 0.433 80 A N -0.536 122.252 122.820 -0.053 0.000 1.883 80 A HA -0.251 4.084 4.320 0.025 0.000 0.217 80 A C 2.164 179.687 177.584 -0.102 0.000 1.186 80 A CA 1.999 53.991 52.037 -0.075 0.000 0.624 80 A CB -0.745 18.226 19.000 -0.048 0.000 0.822 80 A HN 0.640 nan 8.150 nan 0.000 0.444 81 E N -0.585 119.572 120.200 -0.071 0.000 2.077 81 E HA -0.215 4.151 4.350 0.025 0.000 0.193 81 E C 2.122 178.653 176.600 -0.115 0.000 0.989 81 E CA 1.394 57.748 56.400 -0.075 0.000 0.800 81 E CB -0.145 29.532 29.700 -0.039 0.000 0.746 81 E HN 0.693 nan 8.360 nan 0.000 0.452 82 K N 0.858 121.193 120.400 -0.108 0.000 2.057 82 K HA -0.111 4.224 4.320 0.025 0.000 0.206 82 K C 2.148 178.495 176.600 -0.423 0.000 1.050 82 K CA 1.136 57.345 56.287 -0.130 0.000 0.935 82 K CB -0.080 32.421 32.500 0.002 0.000 0.715 82 K HN 0.075 nan 8.250 nan 0.000 0.439 83 A N 0.761 123.234 122.820 -0.577 0.000 1.930 83 A HA -0.082 4.253 4.320 0.025 0.000 0.217 83 A C 2.217 179.349 177.584 -0.754 0.000 1.175 83 A CA 1.486 52.795 52.037 -1.213 0.000 0.627 83 A CB -0.562 18.111 19.000 -0.546 0.000 0.815 83 A HN 0.174 nan 8.150 nan 0.000 0.443 84 V N 0.242 119.933 119.914 -0.372 0.000 2.295 84 V HA -0.289 3.846 4.120 0.025 0.000 0.246 84 V C 2.634 178.613 176.094 -0.191 0.000 1.049 84 V CA 2.251 64.418 62.300 -0.222 0.000 1.024 84 V CB -0.871 30.871 31.823 -0.135 0.000 0.648 84 V HN 0.533 nan 8.190 nan 0.000 0.447 85 R N 0.224 120.614 120.500 -0.183 0.000 2.083 85 R HA -0.131 4.225 4.340 0.025 0.000 0.237 85 R C 2.503 178.748 176.300 -0.093 0.000 1.137 85 R CA 1.619 57.654 56.100 -0.109 0.000 0.951 85 R CB -0.954 29.302 30.300 -0.072 0.000 0.851 85 R HN 0.594 nan 8.270 nan 0.000 0.434 86 G N 1.326 110.026 108.800 -0.166 0.000 2.421 86 G HA2 -0.224 3.752 3.960 0.025 0.000 0.216 86 G HA3 -0.224 3.752 3.960 0.025 0.000 0.216 86 G C 1.494 176.441 174.900 0.079 0.000 1.171 86 G CA 0.446 45.571 45.100 0.041 0.000 0.775 86 G HN 0.114 nan 8.290 nan 0.000 0.543 87 L N -0.173 121.026 121.223 -0.041 0.000 2.042 87 L HA -0.101 4.254 4.340 0.025 0.000 0.210 87 L C 3.190 180.057 176.870 -0.006 0.000 1.076 87 L CA 1.178 56.035 54.840 0.027 0.000 0.749 87 L CB -0.326 41.717 42.059 -0.026 0.000 0.893 87 L HN 0.165 nan 8.230 nan 0.000 0.432 88 R N -0.333 120.142 120.500 -0.041 0.000 2.096 88 R HA -0.128 4.227 4.340 0.025 0.000 0.235 88 R C 2.411 178.693 176.300 -0.030 0.000 1.127 88 R CA 1.183 57.259 56.100 -0.040 0.000 0.968 88 R CB -0.236 30.035 30.300 -0.048 0.000 0.861 88 R HN 0.365 nan 8.270 nan 0.000 0.440 89 R N 0.079 120.570 120.500 -0.016 0.000 2.115 89 R HA 0.006 4.361 4.340 0.025 0.000 0.226 89 R C 2.273 178.556 176.300 -0.028 0.000 1.100 89 R CA 1.099 57.188 56.100 -0.018 0.000 0.980 89 R CB -0.193 30.106 30.300 -0.002 0.000 0.875 89 R HN 0.183 nan 8.270 nan 0.000 0.445 90 A N 1.282 124.099 122.820 -0.004 0.000 1.898 90 A HA -0.167 4.168 4.320 0.025 0.000 0.216 90 A C 2.124 179.664 177.584 -0.073 0.000 1.181 90 A CA 1.178 53.199 52.037 -0.027 0.000 0.620 90 A CB -0.423 18.601 19.000 0.040 0.000 0.819 90 A HN 0.210 nan 8.150 nan 0.000 0.442 91 R N -0.236 120.235 120.500 -0.050 0.000 2.083 91 R HA -0.140 4.215 4.340 0.025 0.000 0.237 91 R C 2.287 178.538 176.300 -0.082 0.000 1.137 91 R CA 1.573 57.634 56.100 -0.065 0.000 0.951 91 R CB -0.463 29.806 30.300 -0.051 0.000 0.851 91 R HN 0.423 nan 8.270 nan 0.000 0.434 92 A N 0.718 123.496 122.820 -0.070 0.000 1.917 92 A HA -0.148 4.187 4.320 0.025 0.000 0.219 92 A C 2.248 179.775 177.584 -0.096 0.000 1.182 92 A CA 1.861 53.856 52.037 -0.070 0.000 0.633 92 A CB -0.767 18.200 19.000 -0.054 0.000 0.819 92 A HN 0.553 nan 8.150 nan 0.000 0.448 93 A N -2.271 120.475 122.820 -0.124 0.000 2.235 93 A HA 0.403 4.738 4.320 0.025 0.000 0.208 93 A C 1.713 179.134 177.584 -0.271 0.000 1.172 93 A CA 1.323 53.256 52.037 -0.173 0.000 0.786 93 A CB -0.782 18.111 19.000 -0.178 0.000 0.804 93 A HN 1.916 nan 8.150 nan 0.000 0.479 94 G N -2.196 106.450 108.800 -0.256 0.000 2.192 94 G HA2 -0.147 3.828 3.960 0.025 0.000 0.193 94 G HA3 -0.147 3.828 3.960 0.025 0.000 0.193 94 G C 0.079 174.733 174.900 -0.409 0.000 0.999 94 G CA -0.084 44.830 45.100 -0.309 0.000 0.659 94 G HN 0.634 nan 8.290 nan 0.000 0.503 95 V N 2.240 121.938 119.914 -0.359 0.000 2.508 95 V HA 0.364 4.499 4.120 0.025 0.000 0.281 95 V C 1.527 177.628 176.094 0.012 0.000 1.041 95 V CA -0.043 62.160 62.300 -0.162 0.000 1.016 95 V CB 1.323 33.112 31.823 -0.057 0.000 0.984 95 V HN 0.320 nan 8.190 nan 0.000 0.478 96 R N 2.311 122.893 120.500 0.137 0.000 2.225 96 R HA 0.233 4.589 4.340 0.025 0.000 0.194 96 R C 0.203 176.601 176.300 0.162 0.000 0.957 96 R CA 0.392 56.567 56.100 0.124 0.000 1.042 96 R CB 0.569 30.977 30.300 0.179 0.000 1.004 96 R HN 0.670 nan 8.270 nan 0.000 0.509 97 T N 1.706 116.384 114.554 0.206 0.000 2.993 97 T HA 0.542 4.907 4.350 0.025 0.000 0.312 97 T C -0.402 174.400 174.700 0.170 0.000 1.115 97 T CA -0.657 61.568 62.100 0.208 0.000 1.027 97 T CB 2.292 71.282 68.868 0.203 0.000 1.116 97 T HN 0.155 nan 8.240 nan 0.000 0.464 98 I N -0.826 119.826 120.570 0.137 0.000 2.740 98 I HA 0.909 5.094 4.170 0.025 0.000 0.303 98 I C -1.129 175.029 176.117 0.068 0.000 1.044 98 I CA -1.330 60.036 61.300 0.111 0.000 1.064 98 I CB 1.963 40.030 38.000 0.112 0.000 1.249 98 I HN 0.290 nan 8.210 nan 0.000 0.433 99 V N 3.420 123.355 119.914 0.035 0.000 2.328 99 V HA 0.249 4.384 4.120 0.025 0.000 0.278 99 V C -0.418 175.620 176.094 -0.093 0.000 1.021 99 V CA -0.252 62.040 62.300 -0.013 0.000 0.838 99 V CB 0.970 32.795 31.823 0.003 0.000 0.999 99 V HN 0.737 nan 8.190 nan 0.000 0.447 100 D N 4.423 124.765 120.400 -0.096 0.000 2.365 100 D HA 0.130 4.785 4.640 0.025 0.000 0.237 100 D C 0.720 176.890 176.300 -0.217 0.000 1.190 100 D CA -0.253 53.646 54.000 -0.167 0.000 0.867 100 D CB 1.839 42.597 40.800 -0.069 0.000 1.050 100 D HN 0.452 nan 8.370 nan 0.000 0.491 101 V N 1.613 121.277 119.914 -0.417 0.000 3.337 101 V HA 0.239 4.374 4.120 0.025 0.000 0.343 101 V C 0.443 176.428 176.094 -0.181 0.000 1.302 101 V CA -0.627 61.470 62.300 -0.338 0.000 1.268 101 V CB -0.830 30.675 31.823 -0.530 0.000 1.185 101 V HN 0.274 nan 8.190 nan 0.000 0.447 102 S N 2.676 118.330 115.700 -0.075 0.000 2.505 102 S HA 0.440 4.925 4.470 0.025 0.000 0.276 102 S C 0.845 175.437 174.600 -0.014 0.000 1.274 102 S CA 0.140 58.339 58.200 -0.002 0.000 1.053 102 S CB 0.826 64.045 63.200 0.031 0.000 0.919 102 S HN 0.878 nan 8.310 nan 0.000 0.490 103 T N 0.551 115.104 114.554 -0.001 0.000 2.862 103 T HA 0.401 4.766 4.350 0.025 0.000 0.276 103 T C 0.990 175.796 174.700 0.177 0.000 0.974 103 T CA -0.822 61.348 62.100 0.117 0.000 0.966 103 T CB 0.170 69.153 68.868 0.192 0.000 1.072 103 T HN 0.372 nan 8.240 nan 0.000 0.538 104 F N 2.093 122.148 119.950 0.175 0.000 2.063 104 F HA -0.268 4.304 4.527 0.075 0.000 0.297 104 F C 2.054 177.942 175.800 0.147 0.000 1.099 104 F CA 2.640 60.761 58.000 0.203 0.000 1.220 104 F CB -0.435 38.765 39.000 0.333 0.000 0.972 104 F HN 0.770 nan 8.300 nan 0.000 0.487 105 D N -0.179 120.304 120.400 0.137 0.000 2.349 105 D HA -0.097 4.558 4.640 0.025 0.000 0.224 105 D C 1.770 178.058 176.300 -0.020 0.000 1.029 105 D CA 0.717 54.727 54.000 0.016 0.000 0.879 105 D CB -0.809 40.161 40.800 0.284 0.000 0.906 105 D HN 0.494 nan 8.370 nan 0.000 0.528 106 I N 0.357 120.853 120.570 -0.124 0.000 3.812 106 I HA 0.148 4.333 4.170 0.025 0.000 0.320 106 I C 1.345 177.329 176.117 -0.221 0.000 1.276 106 I CA 0.291 61.377 61.300 -0.357 0.000 1.164 106 I CB -0.123 37.539 38.000 -0.563 0.000 1.009 106 I HN 0.130 nan 8.210 nan 0.000 0.431 107 G N 2.331 111.027 108.800 -0.174 0.000 2.176 107 G HA2 -0.332 3.644 3.960 0.025 0.000 0.252 107 G HA3 -0.332 3.644 3.960 0.025 0.000 0.252 107 G C 0.533 175.393 174.900 -0.068 0.000 1.024 107 G CA -0.060 44.967 45.100 -0.122 0.000 0.755 107 G HN 0.503 nan 8.290 nan 0.000 0.507 108 R N 0.575 121.045 120.500 -0.051 0.000 2.494 108 R HA 0.097 4.452 4.340 0.025 0.000 0.291 108 R C -0.953 175.359 176.300 0.021 0.000 0.953 108 R CA 0.704 56.803 56.100 -0.002 0.000 1.098 108 R CB 0.204 30.527 30.300 0.038 0.000 0.911 108 R HN 0.150 nan 8.270 nan 0.000 0.407 109 D N 5.102 125.509 120.400 0.013 0.000 2.462 109 D HA 0.058 4.713 4.640 0.025 0.000 0.249 109 D C 0.773 177.089 176.300 0.027 0.000 1.117 109 D CA -0.338 53.676 54.000 0.024 0.000 0.900 109 D CB 1.517 42.319 40.800 0.004 0.000 1.039 109 D HN 0.363 nan 8.370 nan 0.000 0.516 110 V N 3.044 122.984 119.914 0.043 0.000 2.490 110 V HA -0.198 3.937 4.120 0.025 0.000 0.250 110 V C 2.038 178.150 176.094 0.030 0.000 1.061 110 V CA 1.863 64.185 62.300 0.037 0.000 1.064 110 V CB -0.038 31.815 31.823 0.049 0.000 0.670 110 V HN 0.480 nan 8.190 nan 0.000 0.461 111 S N -0.144 115.575 115.700 0.032 0.000 2.423 111 S HA -0.156 4.329 4.470 0.025 0.000 0.231 111 S C 1.722 176.330 174.600 0.014 0.000 1.014 111 S CA 1.600 59.814 58.200 0.025 0.000 0.965 111 S CB -0.275 62.942 63.200 0.028 0.000 0.785 111 S HN 0.517 nan 8.310 nan 0.000 0.495 112 L N 1.328 122.556 121.223 0.008 0.000 2.044 112 L HA 0.063 4.419 4.340 0.025 0.000 0.205 112 L C 1.826 178.696 176.870 -0.000 0.000 1.075 112 L CA 1.404 56.242 54.840 -0.005 0.000 0.747 112 L CB -0.669 41.378 42.059 -0.021 0.000 0.903 112 L HN 0.116 nan 8.230 nan 0.000 0.435 113 L N 0.339 121.568 121.223 0.010 0.000 2.013 113 L HA -0.212 4.143 4.340 0.025 0.000 0.212 113 L C 2.747 179.626 176.870 0.016 0.000 1.073 113 L CA 2.222 57.072 54.840 0.018 0.000 0.753 113 L CB -1.648 40.424 42.059 0.022 0.000 0.890 113 L HN 0.378 nan 8.230 nan 0.000 0.432 114 A N -0.977 121.852 122.820 0.016 0.000 1.902 114 A HA -0.275 4.060 4.320 0.025 0.000 0.217 114 A C 2.354 179.943 177.584 0.007 0.000 1.181 114 A CA 1.831 53.877 52.037 0.016 0.000 0.623 114 A CB -0.663 18.348 19.000 0.018 0.000 0.818 114 A HN 0.534 nan 8.150 nan 0.000 0.443 115 E N 0.174 120.376 120.200 0.002 0.000 2.058 115 E HA -0.177 4.188 4.350 0.025 0.000 0.194 115 E C 1.931 178.521 176.600 -0.017 0.000 0.997 115 E CA 2.228 58.624 56.400 -0.007 0.000 0.801 115 E CB -0.241 29.454 29.700 -0.009 0.000 0.746 115 E HN 0.561 nan 8.360 nan 0.000 0.450 116 V N -1.242 118.659 119.914 -0.021 0.000 2.719 116 V HA -0.084 4.051 4.120 0.025 0.000 0.252 116 V C 2.338 178.415 176.094 -0.029 0.000 1.065 116 V CA 1.634 63.911 62.300 -0.038 0.000 1.086 116 V CB -0.311 31.478 31.823 -0.056 0.000 0.700 116 V HN 0.235 nan 8.190 nan 0.000 0.467 117 S N 0.896 116.590 115.700 -0.009 0.000 2.348 117 S HA -0.225 4.261 4.470 0.025 0.000 0.221 117 S C 2.265 176.852 174.600 -0.022 0.000 1.033 117 S CA 2.009 60.206 58.200 -0.006 0.000 1.010 117 S CB -0.391 62.820 63.200 0.018 0.000 0.891 117 S HN 0.687 nan 8.310 nan 0.000 0.442 118 R N 0.650 121.142 120.500 -0.013 0.000 2.073 118 R HA -0.019 4.336 4.340 0.025 0.000 0.234 118 R C 2.682 178.966 176.300 -0.028 0.000 1.134 118 R CA 1.365 57.455 56.100 -0.017 0.000 0.952 118 R CB -0.698 29.598 30.300 -0.007 0.000 0.850 118 R HN 0.527 nan 8.270 nan 0.000 0.433 119 A N 1.083 123.885 122.820 -0.030 0.000 1.898 119 A HA -0.048 4.288 4.320 0.025 0.000 0.216 119 A C 2.237 179.793 177.584 -0.046 0.000 1.181 119 A CA 1.656 53.671 52.037 -0.037 0.000 0.620 119 A CB -0.391 18.585 19.000 -0.040 0.000 0.819 119 A HN 0.397 nan 8.150 nan 0.000 0.442 120 A N -1.522 121.266 122.820 -0.053 0.000 2.132 120 A HA 0.275 4.610 4.320 0.025 0.000 0.213 120 A C 0.833 178.380 177.584 -0.062 0.000 1.154 120 A CA 1.125 53.127 52.037 -0.058 0.000 0.753 120 A CB -0.249 18.714 19.000 -0.061 0.000 0.826 120 A HN 0.584 nan 8.150 nan 0.000 0.469 121 D N -1.042 119.318 120.400 -0.067 0.000 2.705 121 D HA -0.122 4.533 4.640 0.025 0.000 0.240 121 D C -0.737 175.473 176.300 -0.150 0.000 1.137 121 D CA 0.877 54.817 54.000 -0.099 0.000 0.677 121 D CB -1.571 39.177 40.800 -0.086 0.000 1.049 121 D HN 0.208 nan 8.370 nan 0.000 0.427 122 V N 2.360 122.196 119.914 -0.130 0.000 2.604 122 V HA 0.377 4.512 4.120 0.025 0.000 0.305 122 V C 0.493 176.517 176.094 -0.117 0.000 1.043 122 V CA -0.986 61.232 62.300 -0.137 0.000 0.888 122 V CB 1.980 33.785 31.823 -0.030 0.000 0.995 122 V HN 0.239 nan 8.190 nan 0.000 0.429 123 H N 4.301 123.389 119.070 0.030 0.000 2.764 123 H HA 0.485 5.056 4.556 0.025 0.000 0.341 123 H C -0.504 174.842 175.328 0.029 0.000 1.072 123 H CA 0.287 56.350 56.048 0.025 0.000 1.444 123 H CB 1.083 30.860 29.762 0.026 0.000 1.458 123 H HN 0.426 nan 8.280 nan 0.000 0.572 124 I N 2.891 123.549 120.570 0.148 0.000 2.499 124 I HA 0.121 4.306 4.170 0.025 0.000 0.288 124 I C -0.328 175.821 176.117 0.053 0.000 1.048 124 I CA -0.838 60.514 61.300 0.085 0.000 1.062 124 I CB 2.231 40.267 38.000 0.060 0.000 1.238 124 I HN 0.138 nan 8.210 nan 0.000 0.426 125 V N 5.435 125.366 119.914 0.028 0.000 2.407 125 V HA 0.584 4.720 4.120 0.025 0.000 0.278 125 V C 0.606 176.685 176.094 -0.025 0.000 1.037 125 V CA -0.413 61.882 62.300 -0.008 0.000 0.900 125 V CB 1.339 33.148 31.823 -0.023 0.000 0.983 125 V HN 0.838 nan 8.190 nan 0.000 0.459 126 A N 4.288 127.090 122.820 -0.030 0.000 2.264 126 A HA 0.924 5.260 4.320 0.025 0.000 0.304 126 A C 0.185 177.733 177.584 -0.059 0.000 1.100 126 A CA -0.072 51.944 52.037 -0.035 0.000 0.839 126 A CB 1.036 20.026 19.000 -0.016 0.000 1.121 126 A HN 1.258 nan 8.150 nan 0.000 0.496 127 A N -0.039 122.745 122.820 -0.059 0.000 2.356 127 A HA 0.781 5.117 4.320 0.025 0.000 0.323 127 A C 0.108 177.649 177.584 -0.072 0.000 1.119 127 A CA -0.003 51.984 52.037 -0.083 0.000 0.790 127 A CB 1.353 20.300 19.000 -0.090 0.000 1.273 127 A HN 1.109 nan 8.150 nan 0.000 0.452 128 T N -0.715 113.758 114.554 -0.135 0.000 2.819 128 T HA 0.790 5.156 4.350 0.025 0.000 0.271 128 T C 0.494 175.029 174.700 -0.274 0.000 0.986 128 T CA 0.952 62.948 62.100 -0.173 0.000 0.989 128 T CB 0.923 69.637 68.868 -0.257 0.000 1.396 128 T HN 2.670 nan 8.240 nan 0.000 0.597 129 G N -0.292 108.192 108.800 -0.527 0.000 2.526 129 G HA2 0.079 4.054 3.960 0.025 0.000 0.250 129 G HA3 0.079 4.054 3.960 0.025 0.000 0.250 129 G C -1.763 173.197 174.900 0.099 0.000 1.289 129 G CA -0.367 44.323 45.100 -0.683 0.000 0.947 129 G HN 0.893 nan 8.290 nan 0.000 0.517 130 L N -1.163 120.198 121.223 0.231 0.000 2.493 130 L HA 0.591 4.946 4.340 0.025 0.000 0.265 130 L C 0.020 177.131 176.870 0.402 0.000 0.954 130 L CA -0.703 54.398 54.840 0.433 0.000 0.844 130 L CB 2.169 44.568 42.059 0.566 0.000 1.302 130 L HN 0.869 nan 8.230 nan 0.000 0.405 131 W N 3.206 124.606 121.300 0.167 0.000 2.090 131 W HA 0.349 5.003 4.660 -0.011 0.000 0.609 131 W C 0.713 177.308 176.519 0.126 0.000 1.671 131 W CA -0.138 57.256 57.345 0.082 0.000 1.756 131 W CB 0.323 29.736 29.460 -0.078 0.000 2.998 131 W HN 0.344 nan 8.180 nan 0.000 0.761 132 F N 0.827 120.503 119.950 -0.456 0.000 2.668 132 F HA 0.319 4.870 4.527 0.040 0.000 0.297 132 F C 0.116 175.747 175.800 -0.282 0.000 1.124 132 F CA -0.496 57.239 58.000 -0.442 0.000 1.353 132 F CB -0.447 38.182 39.000 -0.618 0.000 0.992 132 F HN 0.050 nan 8.300 nan 0.000 0.524 133 D N 2.268 122.615 120.400 -0.089 0.000 2.957 133 D HA 0.243 4.898 4.640 0.025 0.000 0.352 133 D C -2.783 173.606 176.300 0.149 0.000 1.352 133 D CA -2.110 51.917 54.000 0.046 0.000 0.831 133 D CB 0.605 41.455 40.800 0.084 0.000 1.147 133 D HN 0.050 nan 8.370 nan 0.000 0.467 134 P HA 0.225 nan 4.420 nan 0.000 0.271 134 P C -2.528 174.819 177.300 0.079 0.000 1.216 134 P CA -1.026 62.190 63.100 0.194 0.000 0.771 134 P CB 0.939 32.764 31.700 0.208 0.000 0.864 135 P HA 0.184 nan 4.420 nan 0.000 0.279 135 P C 1.304 178.587 177.300 -0.029 0.000 1.282 135 P CA -0.469 62.667 63.100 0.061 0.000 0.788 135 P CB 1.109 32.888 31.700 0.131 0.000 1.139 136 L N -0.051 121.150 121.223 -0.037 0.000 2.042 136 L HA -0.196 4.159 4.340 0.025 0.000 0.210 136 L C 2.528 179.342 176.870 -0.094 0.000 1.076 136 L CA 1.875 56.667 54.840 -0.079 0.000 0.749 136 L CB -0.789 41.243 42.059 -0.046 0.000 0.893 136 L HN 0.374 nan 8.230 nan 0.000 0.432 137 S N -1.087 114.579 115.700 -0.056 0.000 2.447 137 S HA -0.090 4.395 4.470 0.025 0.000 0.233 137 S C 1.880 176.412 174.600 -0.113 0.000 1.006 137 S CA 0.955 59.112 58.200 -0.071 0.000 0.957 137 S CB 0.004 63.173 63.200 -0.052 0.000 0.773 137 S HN 0.279 nan 8.310 nan 0.000 0.507 138 M N 1.020 120.552 119.600 -0.113 0.000 2.216 138 M HA 0.146 4.641 4.480 0.025 0.000 0.264 138 M C 1.989 178.142 176.300 -0.245 0.000 1.080 138 M CA 1.080 56.317 55.300 -0.106 0.000 1.153 138 M CB -1.034 31.574 32.600 0.013 0.000 1.356 138 M HN 0.200 nan 8.290 nan 0.000 0.432 139 R N 0.411 120.587 120.500 -0.539 0.000 2.159 139 R HA -0.062 4.293 4.340 0.025 0.000 0.237 139 R C 1.790 177.744 176.300 -0.577 0.000 1.131 139 R CA 0.952 56.374 56.100 -1.130 0.000 0.982 139 R CB -0.482 29.427 30.300 -0.652 0.000 0.868 139 R HN 0.375 nan 8.270 nan 0.000 0.453 140 L N 0.629 121.705 121.223 -0.244 0.000 2.591 140 L HA 0.080 4.435 4.340 0.025 0.000 0.228 140 L C 0.575 177.445 176.870 0.000 0.000 1.133 140 L CA 0.003 54.789 54.840 -0.089 0.000 0.880 140 L CB -0.049 41.968 42.059 -0.071 0.000 1.033 140 L HN -0.017 nan 8.230 nan 0.000 0.450 141 R N 0.619 121.156 120.500 0.061 0.000 2.500 141 R HA 0.299 4.654 4.340 0.025 0.000 0.275 141 R C 0.446 176.826 176.300 0.134 0.000 1.051 141 R CA -0.131 56.019 56.100 0.083 0.000 1.088 141 R CB 1.283 31.619 30.300 0.061 0.000 1.063 141 R HN 0.060 nan 8.270 nan 0.000 0.511 142 S N -0.483 115.254 115.700 0.062 0.000 2.645 142 S HA 0.043 4.528 4.470 0.025 0.000 0.266 142 S C 1.309 175.919 174.600 0.016 0.000 1.258 142 S CA -0.701 57.527 58.200 0.046 0.000 0.990 142 S CB 1.165 64.379 63.200 0.023 0.000 0.967 142 S HN 0.421 nan 8.310 nan 0.000 0.556 143 V N 1.074 120.989 119.914 0.001 0.000 2.392 143 V HA -0.178 3.957 4.120 0.025 0.000 0.249 143 V C 2.213 178.283 176.094 -0.040 0.000 1.059 143 V CA 2.532 64.813 62.300 -0.031 0.000 1.051 143 V CB -1.145 30.670 31.823 -0.013 0.000 0.658 143 V HN 0.938 nan 8.190 nan 0.000 0.455 144 E N 0.122 120.310 120.200 -0.019 0.000 2.047 144 E HA -0.176 4.189 4.350 0.025 0.000 0.191 144 E C 2.161 178.744 176.600 -0.029 0.000 0.987 144 E CA 1.690 58.080 56.400 -0.016 0.000 0.799 144 E CB -0.245 29.455 29.700 -0.001 0.000 0.752 144 E HN 0.737 nan 8.360 nan 0.000 0.449 145 E N 0.428 120.612 120.200 -0.027 0.000 2.038 145 E HA -0.187 4.178 4.350 0.025 0.000 0.195 145 E C 2.137 178.693 176.600 -0.073 0.000 1.000 145 E CA 1.027 57.409 56.400 -0.029 0.000 0.803 145 E CB -0.209 29.479 29.700 -0.019 0.000 0.750 145 E HN 0.195 nan 8.360 nan 0.000 0.448 146 L N 0.757 121.894 121.223 -0.144 0.000 2.042 146 L HA -0.217 4.138 4.340 0.025 0.000 0.210 146 L C 2.618 179.139 176.870 -0.582 0.000 1.076 146 L CA 1.356 55.965 54.840 -0.385 0.000 0.749 146 L CB -0.815 40.986 42.059 -0.430 0.000 0.893 146 L HN 0.207 nan 8.230 nan 0.000 0.432 147 T N -1.204 113.172 114.554 -0.297 0.000 2.684 147 T HA -0.213 4.152 4.350 0.025 0.000 0.267 147 T C 1.939 176.596 174.700 -0.071 0.000 1.036 147 T CA 1.137 63.148 62.100 -0.150 0.000 1.148 147 T CB -0.167 68.679 68.868 -0.036 0.000 0.863 147 T HN 0.286 nan 8.240 nan 0.000 0.436 148 Q N 0.119 119.898 119.800 -0.035 0.000 2.124 148 Q HA -0.038 4.318 4.340 0.025 0.000 0.202 148 Q C 2.068 178.109 176.000 0.069 0.000 0.977 148 Q CA 1.179 57.000 55.803 0.030 0.000 0.850 148 Q CB -0.643 28.124 28.738 0.048 0.000 0.901 148 Q HN 0.602 nan 8.270 nan 0.000 0.429 149 F N 0.710 120.597 119.950 -0.105 0.000 2.113 149 F HA -0.181 4.370 4.527 0.040 0.000 0.297 149 F C 1.738 177.603 175.800 0.109 0.000 1.103 149 F CA 0.872 58.845 58.000 -0.046 0.000 1.248 149 F CB -0.346 38.577 39.000 -0.129 0.000 0.999 149 F HN -0.092 nan 8.300 nan 0.000 0.475 150 F N 0.861 120.680 119.950 -0.218 0.000 2.095 150 F HA -0.200 4.336 4.527 0.015 0.000 0.298 150 F C 2.416 178.058 175.800 -0.263 0.000 1.104 150 F CA 1.114 58.933 58.000 -0.301 0.000 1.232 150 F CB -1.696 37.242 39.000 -0.104 0.000 0.987 150 F HN 0.018 nan 8.300 nan 0.000 0.475 151 L N -0.447 120.786 121.223 0.016 0.000 2.079 151 L HA -0.228 4.127 4.340 0.025 0.000 0.210 151 L C 2.737 179.495 176.870 -0.187 0.000 1.081 151 L CA 1.405 56.190 54.840 -0.092 0.000 0.752 151 L CB -0.629 41.392 42.059 -0.063 0.000 0.896 151 L HN 0.094 nan 8.230 nan 0.000 0.433 152 R N 0.597 121.049 120.500 -0.081 0.000 2.083 152 R HA -0.204 4.151 4.340 0.025 0.000 0.237 152 R C 2.008 178.259 176.300 -0.082 0.000 1.137 152 R CA 1.887 58.003 56.100 0.026 0.000 0.951 152 R CB -0.143 30.226 30.300 0.116 0.000 0.851 152 R HN 0.463 nan 8.270 nan 0.000 0.434 153 E N -0.155 119.928 120.200 -0.196 0.000 2.208 153 E HA -0.114 4.251 4.350 0.025 0.000 0.193 153 E C 2.043 178.556 176.600 -0.144 0.000 0.988 153 E CA 0.957 57.253 56.400 -0.174 0.000 0.828 153 E CB 0.053 29.580 29.700 -0.288 0.000 0.763 153 E HN 0.458 nan 8.360 nan 0.000 0.478 154 I N 0.785 121.250 120.570 -0.176 0.000 2.339 154 I HA -0.226 3.960 4.170 0.025 0.000 0.245 154 I C 2.284 178.276 176.117 -0.208 0.000 1.096 154 I CA 1.114 62.310 61.300 -0.173 0.000 1.408 154 I CB 0.003 37.903 38.000 -0.167 0.000 1.092 154 I HN 0.013 nan 8.210 nan 0.000 0.423 155 Q N -0.912 118.676 119.800 -0.354 0.000 2.324 155 Q HA -0.004 4.351 4.340 0.025 0.000 0.207 155 Q C 1.561 177.323 176.000 -0.397 0.000 0.928 155 Q CA 0.982 56.487 55.803 -0.497 0.000 0.890 155 Q CB 0.271 28.496 28.738 -0.856 0.000 1.001 155 Q HN 0.448 nan 8.270 nan 0.000 0.517 156 Y N -0.503 119.784 120.300 -0.022 0.000 2.506 156 Y HA 0.449 5.012 4.550 0.023 0.000 0.287 156 Y C 1.044 176.939 175.900 -0.008 0.000 1.147 156 Y CA 0.414 58.507 58.100 -0.011 0.000 1.241 156 Y CB 0.601 39.059 38.460 -0.003 0.000 1.279 156 Y HN 0.047 nan 8.280 nan 0.000 0.527 157 G N -0.092 108.776 108.800 0.114 0.000 2.321 157 G HA2 0.152 4.127 3.960 0.025 0.000 0.339 157 G HA3 0.152 4.127 3.960 0.025 0.000 0.339 157 G C -1.569 173.369 174.900 0.065 0.000 1.518 157 G CA -1.141 43.999 45.100 0.067 0.000 0.994 157 G HN 0.013 nan 8.290 nan 0.000 0.668 158 I N 1.975 122.577 120.570 0.052 0.000 2.395 158 I HA 0.349 4.534 4.170 0.025 0.000 0.289 158 I C 1.106 177.285 176.117 0.103 0.000 1.023 158 I CA 0.277 61.622 61.300 0.074 0.000 1.350 158 I CB 0.949 38.989 38.000 0.068 0.000 1.409 158 I HN 0.971 nan 8.210 nan 0.000 0.507 159 E N 3.402 123.686 120.200 0.140 0.000 3.259 159 E HA -0.320 4.045 4.350 0.025 0.000 0.332 159 E C -0.031 176.630 176.600 0.101 0.000 1.477 159 E CA 1.706 58.187 56.400 0.135 0.000 1.742 159 E CB -0.472 29.306 29.700 0.130 0.000 1.842 159 E HN 0.931 nan 8.360 nan 0.000 0.499 160 D N 0.171 120.620 120.400 0.082 0.000 2.463 160 D HA 0.045 4.700 4.640 0.025 0.000 0.224 160 D C 0.960 177.293 176.300 0.055 0.000 1.174 160 D CA 0.916 54.954 54.000 0.063 0.000 0.829 160 D CB -0.150 40.682 40.800 0.054 0.000 0.993 160 D HN 0.406 nan 8.370 nan 0.000 0.497 161 T N -4.658 109.931 114.554 0.059 0.000 3.044 161 T HA 0.311 4.676 4.350 0.025 0.000 0.250 161 T C 1.855 176.581 174.700 0.043 0.000 1.081 161 T CA 0.501 62.629 62.100 0.048 0.000 1.040 161 T CB -0.124 68.772 68.868 0.048 0.000 0.962 161 T HN 0.285 nan 8.240 nan 0.000 0.506 162 G N 1.719 110.549 108.800 0.050 0.000 2.196 162 G HA2 -0.255 3.720 3.960 0.025 0.000 0.268 162 G HA3 -0.255 3.720 3.960 0.025 0.000 0.268 162 G C 0.115 175.037 174.900 0.036 0.000 0.975 162 G CA 0.344 45.473 45.100 0.048 0.000 0.648 162 G HN 0.682 nan 8.290 nan 0.000 0.538 163 I N 1.734 122.324 120.570 0.032 0.000 2.436 163 I HA 0.234 4.419 4.170 0.025 0.000 0.289 163 I C 1.008 177.129 176.117 0.008 0.000 1.083 163 I CA -0.221 61.090 61.300 0.020 0.000 1.372 163 I CB 0.466 38.480 38.000 0.023 0.000 1.408 163 I HN 0.055 nan 8.210 nan 0.000 0.516 164 R N 5.467 125.961 120.500 -0.010 0.000 2.368 164 R HA 0.625 4.980 4.340 0.025 0.000 0.302 164 R C -0.182 176.086 176.300 -0.052 0.000 1.002 164 R CA -0.774 55.304 56.100 -0.036 0.000 0.929 164 R CB 1.538 31.810 30.300 -0.047 0.000 1.073 164 R HN 0.684 nan 8.270 nan 0.000 0.464 165 A N 1.368 124.144 122.820 -0.072 0.000 2.462 165 A HA 0.323 4.659 4.320 0.025 0.000 0.243 165 A C 1.056 178.577 177.584 -0.106 0.000 1.076 165 A CA 0.095 52.080 52.037 -0.087 0.000 0.773 165 A CB 0.359 19.294 19.000 -0.110 0.000 1.010 165 A HN 0.932 nan 8.150 nan 0.000 0.493 166 G N 0.592 109.328 108.800 -0.107 0.000 3.453 166 G HA2 0.465 4.440 3.960 0.025 0.000 0.263 166 G HA3 0.465 4.440 3.960 0.025 0.000 0.263 166 G C -0.026 174.774 174.900 -0.168 0.000 1.060 166 G CA 0.263 45.286 45.100 -0.129 0.000 0.793 166 G HN 0.721 nan 8.290 nan 0.000 0.532 167 I N -0.611 119.860 120.570 -0.164 0.000 3.021 167 I HA 0.519 4.704 4.170 0.025 0.000 0.305 167 I C -1.498 174.509 176.117 -0.182 0.000 1.434 167 I CA -1.129 60.057 61.300 -0.190 0.000 0.969 167 I CB 2.363 40.272 38.000 -0.151 0.000 1.328 167 I HN -0.101 nan 8.210 nan 0.000 0.486 171 A N 0.762 123.756 122.820 0.290 0.000 2.547 171 A HA 1.026 5.361 4.320 0.025 0.000 0.297 171 A C -0.398 177.306 177.584 0.201 0.000 1.056 171 A CA 0.004 52.231 52.037 0.318 0.000 0.688 171 A CB 1.753 20.956 19.000 0.338 0.000 1.282 171 A HN 2.537 nan 8.150 nan 0.000 0.400 172 T N -1.425 113.242 114.554 0.187 0.000 2.916 172 T HA 0.809 5.174 4.350 0.025 0.000 0.292 172 T C -0.266 174.469 174.700 0.058 0.000 1.064 172 T CA -0.039 62.106 62.100 0.075 0.000 1.011 172 T CB 1.745 70.630 68.868 0.028 0.000 1.152 172 T HN 1.579 nan 8.240 nan 0.000 0.510 173 T N -1.351 113.155 114.554 -0.080 0.000 3.418 173 T HA 0.681 5.046 4.350 0.025 0.000 0.315 173 T C 0.670 175.312 174.700 -0.096 0.000 1.447 173 T CA -0.034 61.992 62.100 -0.122 0.000 1.641 173 T CB -0.230 68.407 68.868 -0.385 0.000 0.904 173 T HN 2.001 nan 8.240 nan 0.000 0.640 174 G N 2.005 110.771 108.800 -0.056 0.000 2.500 174 G HA2 0.032 4.007 3.960 0.025 0.000 0.209 174 G HA3 0.032 4.007 3.960 0.025 0.000 0.209 174 G C -0.586 174.286 174.900 -0.048 0.000 1.283 174 G CA -0.668 44.398 45.100 -0.057 0.000 0.960 174 G HN 0.844 nan 8.290 nan 0.000 0.528 175 K N 0.877 121.250 120.400 -0.046 0.000 2.511 175 K HA 0.533 4.869 4.320 0.025 0.000 0.280 175 K C 0.945 177.525 176.600 -0.033 0.000 1.008 175 K CA 1.044 57.307 56.287 -0.039 0.000 1.050 175 K CB 0.152 32.632 32.500 -0.033 0.000 0.889 175 K HN 1.805 nan 8.250 nan 0.000 0.484 176 A N 4.291 127.090 122.820 -0.035 0.000 2.540 176 A HA 0.167 4.502 4.320 0.025 0.000 0.239 176 A C 0.367 177.948 177.584 -0.005 0.000 1.061 176 A CA 0.341 52.363 52.037 -0.024 0.000 0.758 176 A CB -0.627 18.347 19.000 -0.044 0.000 0.991 176 A HN 0.922 nan 8.150 nan 0.000 0.502 177 T N 0.938 115.503 114.554 0.019 0.000 2.766 177 T HA 0.323 4.688 4.350 0.025 0.000 0.295 177 T C -1.809 172.925 174.700 0.056 0.000 1.024 177 T CA -0.833 61.294 62.100 0.045 0.000 1.018 177 T CB 0.231 69.151 68.868 0.086 0.000 1.002 177 T HN 0.358 nan 8.240 nan 0.000 0.532 178 P HA 0.009 nan 4.420 nan 0.000 0.217 178 P C 1.202 178.569 177.300 0.111 0.000 1.150 178 P CA 0.528 63.672 63.100 0.072 0.000 0.832 178 P CB -0.122 31.624 31.700 0.076 0.000 0.787 179 F N 0.803 120.769 119.950 0.026 0.000 2.146 179 F HA -0.159 4.388 4.527 0.032 0.000 0.298 179 F C 2.120 177.958 175.800 0.063 0.000 1.096 179 F CA 1.596 59.622 58.000 0.042 0.000 1.275 179 F CB -0.882 38.146 39.000 0.047 0.000 1.008 179 F HN -0.133 nan 8.300 nan 0.000 0.480 180 Q N 0.140 119.932 119.800 -0.013 0.000 2.181 180 Q HA -0.230 4.126 4.340 0.025 0.000 0.205 180 Q C 2.051 177.982 176.000 -0.115 0.000 0.980 180 Q CA 2.013 57.763 55.803 -0.088 0.000 0.862 180 Q CB -0.325 28.428 28.738 0.026 0.000 0.905 180 Q HN 0.572 nan 8.270 nan 0.000 0.429 181 E N 0.540 120.692 120.200 -0.081 0.000 2.085 181 E HA -0.192 4.174 4.350 0.025 0.000 0.194 181 E C 2.031 178.578 176.600 -0.089 0.000 0.994 181 E CA 0.969 57.324 56.400 -0.077 0.000 0.801 181 E CB -0.148 29.525 29.700 -0.045 0.000 0.743 181 E HN 0.359 nan 8.360 nan 0.000 0.453 182 L N 0.600 121.741 121.223 -0.137 0.000 2.046 182 L HA -0.181 4.175 4.340 0.025 0.000 0.208 182 L C 2.548 179.322 176.870 -0.160 0.000 1.077 182 L CA 0.788 55.541 54.840 -0.144 0.000 0.747 182 L CB -0.606 41.350 42.059 -0.172 0.000 0.896 182 L HN 0.065 nan 8.230 nan 0.000 0.432 183 V N 0.070 119.806 119.914 -0.297 0.000 2.287 183 V HA -0.300 3.835 4.120 0.025 0.000 0.248 183 V C 2.470 178.655 176.094 0.151 0.000 1.053 183 V CA 1.693 63.950 62.300 -0.072 0.000 1.027 183 V CB -0.387 31.365 31.823 -0.117 0.000 0.646 183 V HN 0.253 nan 8.190 nan 0.000 0.447 184 L N -0.465 120.807 121.223 0.081 0.000 2.083 184 L HA -0.166 4.189 4.340 0.025 0.000 0.209 184 L C 2.375 179.395 176.870 0.249 0.000 1.083 184 L CA 1.887 56.837 54.840 0.183 0.000 0.752 184 L CB -0.734 41.275 42.059 -0.084 0.000 0.899 184 L HN 0.253 nan 8.230 nan 0.000 0.433 185 K N -0.891 119.582 120.400 0.122 0.000 2.057 185 K HA -0.120 4.215 4.320 0.025 0.000 0.207 185 K C 2.177 178.869 176.600 0.152 0.000 1.049 185 K CA 1.347 57.709 56.287 0.124 0.000 0.931 185 K CB -0.355 32.176 32.500 0.052 0.000 0.714 185 K HN 0.323 nan 8.250 nan 0.000 0.440 186 A N 1.363 124.272 122.820 0.149 0.000 1.930 186 A HA -0.095 4.241 4.320 0.025 0.000 0.217 186 A C 2.351 180.148 177.584 0.355 0.000 1.175 186 A CA 1.748 53.886 52.037 0.167 0.000 0.627 186 A CB -0.706 18.297 19.000 0.005 0.000 0.815 186 A HN 0.330 nan 8.150 nan 0.000 0.443 187 A N 0.060 123.148 122.820 0.447 0.000 1.883 187 A HA 0.105 4.440 4.320 0.025 0.000 0.217 187 A C 2.531 180.203 177.584 0.147 0.000 1.186 187 A CA 2.288 54.492 52.037 0.278 0.000 0.624 187 A CB -1.123 17.992 19.000 0.192 0.000 0.822 187 A HN 1.097 nan 8.150 nan 0.000 0.444 188 A N -0.268 122.670 122.820 0.197 0.000 1.908 188 A HA -0.190 4.145 4.320 0.025 0.000 0.218 188 A C 2.250 179.884 177.584 0.083 0.000 1.181 188 A CA 1.664 53.776 52.037 0.126 0.000 0.627 188 A CB -0.470 18.688 19.000 0.262 0.000 0.818 188 A HN 0.578 nan 8.150 nan 0.000 0.445 189 R N -0.585 119.978 120.500 0.105 0.000 2.075 189 R HA -0.023 4.332 4.340 0.025 0.000 0.232 189 R C 2.487 178.818 176.300 0.051 0.000 1.126 189 R CA 1.133 57.274 56.100 0.068 0.000 0.963 189 R CB -0.471 29.867 30.300 0.064 0.000 0.858 189 R HN 0.502 nan 8.270 nan 0.000 0.435 190 A N 0.418 123.289 122.820 0.084 0.000 1.902 190 A HA -0.196 4.139 4.320 0.025 0.000 0.217 190 A C 2.198 179.775 177.584 -0.012 0.000 1.181 190 A CA 1.907 53.978 52.037 0.057 0.000 0.623 190 A CB -0.594 18.493 19.000 0.145 0.000 0.818 190 A HN 0.310 nan 8.150 nan 0.000 0.443 191 S N -0.674 115.007 115.700 -0.031 0.000 2.368 191 S HA -0.054 4.432 4.470 0.025 0.000 0.224 191 S C 1.935 176.494 174.600 -0.068 0.000 1.029 191 S CA 1.230 59.380 58.200 -0.083 0.000 0.988 191 S CB -0.463 62.664 63.200 -0.122 0.000 0.838 191 S HN 0.485 nan 8.310 nan 0.000 0.462 192 L N 0.919 122.119 121.223 -0.038 0.000 2.079 192 L HA -0.092 4.263 4.340 0.025 0.000 0.210 192 L C 2.835 179.686 176.870 -0.031 0.000 1.081 192 L CA 1.381 56.204 54.840 -0.028 0.000 0.752 192 L CB -0.522 41.535 42.059 -0.004 0.000 0.896 192 L HN 0.438 nan 8.230 nan 0.000 0.433 193 A N -0.876 121.927 122.820 -0.028 0.000 1.970 193 A HA -0.125 4.210 4.320 0.025 0.000 0.216 193 A C 2.259 179.813 177.584 -0.051 0.000 1.170 193 A CA 1.787 53.805 52.037 -0.031 0.000 0.645 193 A CB -0.474 18.512 19.000 -0.023 0.000 0.816 193 A HN 0.493 nan 8.150 nan 0.000 0.447 194 T N -6.234 108.280 114.554 -0.068 0.000 2.969 194 T HA 0.428 4.794 4.350 0.025 0.000 0.250 194 T C 1.474 176.117 174.700 -0.095 0.000 1.021 194 T CA 1.118 63.166 62.100 -0.088 0.000 1.003 194 T CB 0.435 69.238 68.868 -0.108 0.000 1.040 194 T HN 1.629 nan 8.240 nan 0.000 0.492 195 G N 1.046 109.787 108.800 -0.097 0.000 2.199 195 G HA2 -0.241 3.735 3.960 0.025 0.000 0.254 195 G HA3 -0.241 3.735 3.960 0.025 0.000 0.254 195 G C 0.138 174.946 174.900 -0.153 0.000 0.982 195 G CA 0.030 45.063 45.100 -0.111 0.000 0.632 195 G HN 0.710 nan 8.290 nan 0.000 0.529 196 V N 3.764 123.579 119.914 -0.165 0.000 2.637 196 V HA 0.400 4.536 4.120 0.025 0.000 0.296 196 V C -0.802 175.129 176.094 -0.271 0.000 1.046 196 V CA -0.652 61.519 62.300 -0.216 0.000 1.066 196 V CB 1.378 33.090 31.823 -0.185 0.000 0.968 196 V HN 0.288 nan 8.190 nan 0.000 0.483 197 P HA 0.309 nan 4.420 nan 0.000 0.276 197 P C -1.038 176.064 177.300 -0.331 0.000 1.261 197 P CA -0.254 62.553 63.100 -0.488 0.000 0.800 197 P CB 1.145 32.137 31.700 -1.180 0.000 1.066 198 V N -0.171 119.617 119.914 -0.209 0.000 2.581 198 V HA 0.596 4.731 4.120 0.025 0.000 0.303 198 V C 0.433 176.573 176.094 0.076 0.000 1.041 198 V CA -0.225 61.992 62.300 -0.138 0.000 0.907 198 V CB 1.628 33.251 31.823 -0.335 0.000 0.994 198 V HN 0.678 nan 8.190 nan 0.000 0.442 199 T N 2.154 116.767 114.554 0.098 0.000 2.909 199 T HA 0.713 5.078 4.350 0.025 0.000 0.299 199 T C -0.566 174.223 174.700 0.148 0.000 1.073 199 T CA -0.134 62.068 62.100 0.171 0.000 0.999 199 T CB 1.740 70.737 68.868 0.215 0.000 1.098 199 T HN 1.069 nan 8.240 nan 0.000 0.477 200 T N 0.768 115.407 114.554 0.141 0.000 2.893 200 T HA 0.562 4.927 4.350 0.025 0.000 0.291 200 T C -0.727 174.029 174.700 0.093 0.000 1.028 200 T CA -0.735 61.469 62.100 0.174 0.000 0.995 200 T CB 1.242 70.235 68.868 0.208 0.000 1.051 200 T HN 0.770 nan 8.240 nan 0.000 0.470 201 H N 1.406 120.538 119.070 0.103 0.000 2.548 201 H HA 0.602 5.178 4.556 0.033 0.000 0.331 201 H C 0.162 175.537 175.328 0.078 0.000 1.093 201 H CA 0.005 56.082 56.048 0.048 0.000 1.367 201 H CB 0.930 30.951 29.762 0.431 0.000 1.455 201 H HN 1.005 nan 8.280 nan 0.000 0.519 202 T N 1.818 116.211 114.554 -0.270 0.000 2.916 202 T HA 0.643 5.008 4.350 0.025 0.000 0.292 202 T C -0.369 174.243 174.700 -0.147 0.000 1.055 202 T CA -0.832 61.220 62.100 -0.080 0.000 1.009 202 T CB 1.525 70.377 68.868 -0.026 0.000 1.118 202 T HN 0.758 nan 8.240 nan 0.000 0.497 203 A N 1.264 124.070 122.820 -0.024 0.000 2.650 203 A HA 0.685 5.021 4.320 0.025 0.000 0.320 203 A C 1.617 179.165 177.584 -0.060 0.000 1.466 203 A CA -0.220 51.798 52.037 -0.031 0.000 1.099 203 A CB -0.848 18.137 19.000 -0.025 0.000 1.136 203 A HN 1.312 nan 8.150 nan 0.000 0.532 204 A N 2.029 124.818 122.820 -0.051 0.000 1.940 204 A HA -0.117 4.218 4.320 0.025 0.000 0.219 204 A C 2.395 179.845 177.584 -0.223 0.000 1.176 204 A CA 2.168 54.160 52.037 -0.074 0.000 0.631 204 A CB -0.691 18.321 19.000 0.019 0.000 0.814 204 A HN 1.419 nan 8.150 nan 0.000 0.446 205 S N -0.666 114.948 115.700 -0.143 0.000 2.474 205 S HA -0.152 4.333 4.470 0.025 0.000 0.235 205 S C 1.443 175.930 174.600 -0.188 0.000 0.997 205 S CA 1.232 59.341 58.200 -0.151 0.000 0.949 205 S CB -0.319 62.833 63.200 -0.080 0.000 0.766 205 S HN 0.716 nan 8.310 nan 0.000 0.517 206 Q N 0.324 120.016 119.800 -0.181 0.000 2.220 206 Q HA 0.326 4.681 4.340 0.025 0.000 0.205 206 Q C -0.324 175.542 176.000 -0.223 0.000 0.865 206 Q CA -0.343 55.361 55.803 -0.166 0.000 0.960 206 Q CB 0.183 28.858 28.738 -0.105 0.000 1.097 206 Q HN 0.476 nan 8.270 nan 0.000 0.493 207 R N 0.272 120.523 120.500 -0.414 0.000 3.758 207 R HA -0.208 4.147 4.340 0.025 0.000 0.299 207 R C -0.164 176.072 176.300 -0.107 0.000 1.182 207 R CA 0.602 56.368 56.100 -0.556 0.000 0.809 207 R CB -1.674 28.384 30.300 -0.403 0.000 1.249 207 R HN 0.307 nan 8.270 nan 0.000 0.497 208 D N 0.015 120.376 120.400 -0.066 0.000 2.191 208 D HA -0.171 4.484 4.640 0.025 0.000 0.195 208 D C 2.011 178.330 176.300 0.033 0.000 1.003 208 D CA 1.916 55.911 54.000 -0.007 0.000 0.867 208 D CB -0.364 40.436 40.800 0.000 0.000 0.926 208 D HN 0.631 nan 8.370 nan 0.000 0.450 209 G N 0.299 109.188 108.800 0.150 0.000 2.450 209 G HA2 -0.283 3.692 3.960 0.025 0.000 0.220 209 G HA3 -0.283 3.692 3.960 0.025 0.000 0.220 209 G C 1.476 176.341 174.900 -0.059 0.000 1.130 209 G CA 0.704 45.830 45.100 0.044 0.000 0.760 209 G HN 0.326 nan 8.290 nan 0.000 0.557 210 E N -0.367 119.869 120.200 0.061 0.000 2.047 210 E HA -0.156 4.209 4.350 0.025 0.000 0.191 210 E C 2.427 178.987 176.600 -0.067 0.000 0.987 210 E CA 1.033 57.427 56.400 -0.009 0.000 0.799 210 E CB -0.149 29.590 29.700 0.065 0.000 0.752 210 E HN 0.562 nan 8.360 nan 0.000 0.449 211 Q N 0.717 120.476 119.800 -0.067 0.000 2.083 211 Q HA -0.204 4.151 4.340 0.025 0.000 0.198 211 Q C 2.149 178.031 176.000 -0.196 0.000 0.969 211 Q CA 1.174 56.915 55.803 -0.103 0.000 0.838 211 Q CB 0.148 28.835 28.738 -0.085 0.000 0.900 211 Q HN 0.311 nan 8.270 nan 0.000 0.436 212 Q N -0.034 119.625 119.800 -0.235 0.000 2.045 212 Q HA -0.212 4.144 4.340 0.025 0.000 0.206 212 Q C 2.130 177.793 176.000 -0.561 0.000 0.991 212 Q CA 1.631 57.153 55.803 -0.468 0.000 0.851 212 Q CB -0.313 28.265 28.738 -0.266 0.000 0.911 212 Q HN 0.464 nan 8.270 nan 0.000 0.418 213 A N 1.210 123.865 122.820 -0.276 0.000 1.908 213 A HA -0.198 4.137 4.320 0.025 0.000 0.218 213 A C 2.339 179.922 177.584 -0.001 0.000 1.181 213 A CA 1.821 53.784 52.037 -0.123 0.000 0.627 213 A CB -0.935 17.820 19.000 -0.408 0.000 0.818 213 A HN 0.435 nan 8.150 nan 0.000 0.445 214 A N -0.265 122.511 122.820 -0.073 0.000 1.902 214 A HA -0.093 4.242 4.320 0.025 0.000 0.217 214 A C 2.137 179.701 177.584 -0.034 0.000 1.181 214 A CA 1.586 53.609 52.037 -0.024 0.000 0.623 214 A CB -0.575 18.401 19.000 -0.040 0.000 0.818 214 A HN 0.519 nan 8.150 nan 0.000 0.443 215 I N -1.670 118.810 120.570 -0.150 0.000 2.202 215 I HA -0.205 3.980 4.170 0.025 0.000 0.242 215 I C 2.195 178.296 176.117 -0.027 0.000 1.091 215 I CA 1.109 62.318 61.300 -0.152 0.000 1.368 215 I CB -0.381 37.442 38.000 -0.296 0.000 1.058 215 I HN 0.271 nan 8.210 nan 0.000 0.410 216 F N 1.391 121.380 119.950 0.065 0.000 2.126 216 F HA -0.199 4.342 4.527 0.022 0.000 0.299 216 F C 2.536 178.389 175.800 0.087 0.000 1.096 216 F CA 1.263 59.316 58.000 0.089 0.000 1.255 216 F CB -1.055 38.030 39.000 0.142 0.000 0.997 216 F HN 0.123 nan 8.300 nan 0.000 0.479 217 E N -0.155 120.214 120.200 0.282 0.000 2.150 217 E HA -0.171 4.194 4.350 0.025 0.000 0.193 217 E C 2.277 178.946 176.600 0.116 0.000 0.985 217 E CA 1.439 57.949 56.400 0.182 0.000 0.814 217 E CB -0.360 29.441 29.700 0.169 0.000 0.752 217 E HN 0.410 nan 8.360 nan 0.000 0.466 218 S N 0.915 116.671 115.700 0.094 0.000 2.469 218 S HA -0.125 4.360 4.470 0.025 0.000 0.238 218 S C 1.547 176.187 174.600 0.067 0.000 0.998 218 S CA 0.832 59.069 58.200 0.062 0.000 0.957 218 S CB 0.021 63.243 63.200 0.038 0.000 0.764 218 S HN 0.123 nan 8.310 nan 0.000 0.514 219 E N 0.551 120.809 120.200 0.097 0.000 2.481 219 E HA 0.234 4.599 4.350 0.025 0.000 0.198 219 E C 1.266 177.913 176.600 0.078 0.000 1.027 219 E CA 0.462 56.916 56.400 0.090 0.000 0.900 219 E CB 0.180 29.954 29.700 0.123 0.000 0.993 219 E HN 0.695 nan 8.360 nan 0.000 0.482 220 G N 1.984 110.831 108.800 0.078 0.000 2.143 220 G HA2 -0.289 3.686 3.960 0.025 0.000 0.248 220 G HA3 -0.289 3.686 3.960 0.025 0.000 0.248 220 G C 0.124 175.053 174.900 0.048 0.000 0.991 220 G CA 0.438 45.571 45.100 0.055 0.000 0.689 220 G HN 0.255 nan 8.290 nan 0.000 0.522 221 L N 1.877 123.144 121.223 0.074 0.000 2.416 221 L HA 0.631 4.986 4.340 0.025 0.000 0.272 221 L C 0.864 177.743 176.870 0.015 0.000 1.161 221 L CA -0.035 54.828 54.840 0.038 0.000 0.845 221 L CB 0.927 43.017 42.059 0.051 0.000 1.119 221 L HN 0.162 nan 8.230 nan 0.000 0.464 222 S N 6.803 122.481 115.700 -0.036 0.000 2.537 222 S HA 0.104 4.589 4.470 0.025 0.000 0.286 222 S C -1.611 172.899 174.600 -0.151 0.000 1.299 222 S CA -0.538 57.613 58.200 -0.082 0.000 1.067 222 S CB 0.683 63.835 63.200 -0.080 0.000 0.864 222 S HN 0.608 nan 8.310 nan 0.000 0.494 223 P HA -0.105 nan 4.420 nan 0.000 0.218 223 P C 1.418 178.461 177.300 -0.427 0.000 1.148 223 P CA 0.929 63.571 63.100 -0.763 0.000 0.822 223 P CB -0.027 30.944 31.700 -1.217 0.000 0.784 224 S N -1.532 114.030 115.700 -0.230 0.000 2.547 224 S HA -0.027 4.458 4.470 0.025 0.000 0.235 224 S C 1.703 176.315 174.600 0.019 0.000 0.980 224 S CA 0.517 58.667 58.200 -0.083 0.000 0.941 224 S CB -0.659 62.504 63.200 -0.061 0.000 0.763 224 S HN 0.020 nan 8.310 nan 0.000 0.532 225 R N 0.674 121.156 120.500 -0.029 0.000 2.310 225 R HA 0.350 4.705 4.340 0.025 0.000 0.202 225 R C -0.337 176.016 176.300 0.088 0.000 0.933 225 R CA 0.117 56.205 56.100 -0.021 0.000 1.054 225 R CB 0.006 30.240 30.300 -0.109 0.000 0.985 225 R HN 0.359 nan 8.270 nan 0.000 0.489 226 V N 0.448 120.460 119.914 0.162 0.000 2.540 226 V HA 0.232 4.367 4.120 0.025 0.000 0.302 226 V C -0.417 175.826 176.094 0.247 0.000 1.035 226 V CA -1.194 61.223 62.300 0.195 0.000 0.873 226 V CB 2.402 34.343 31.823 0.198 0.000 0.992 226 V HN 0.098 nan 8.190 nan 0.000 0.428 227 C N 7.076 126.479 119.300 0.171 0.000 2.298 227 C HA 0.594 5.069 4.460 0.025 0.000 0.323 227 C C -0.189 174.812 174.990 0.018 0.000 1.284 227 C CA -0.656 58.326 59.018 -0.060 0.000 1.577 227 C CB -0.411 27.132 27.740 -0.329 0.000 2.249 227 C HN 0.699 nan 8.230 nan 0.000 0.497 228 I N 6.748 127.310 120.570 -0.013 0.000 2.291 228 I HA 0.315 4.500 4.170 0.025 0.000 0.292 228 I C 1.138 177.204 176.117 -0.084 0.000 1.064 228 I CA 0.503 61.785 61.300 -0.031 0.000 1.269 228 I CB 0.092 38.038 38.000 -0.090 0.000 1.418 228 I HN 0.895 nan 8.210 nan 0.000 0.485 229 G N 4.541 113.268 108.800 -0.121 0.000 2.535 229 G HA2 0.321 4.296 3.960 0.025 0.000 0.303 229 G HA3 0.321 4.296 3.960 0.025 0.000 0.303 229 G C 0.205 174.906 174.900 -0.332 0.000 1.237 229 G CA -0.301 44.641 45.100 -0.264 0.000 0.986 229 G HN 0.754 nan 8.290 nan 0.000 0.494 230 H N -1.080 117.760 119.070 -0.384 0.000 2.731 230 H HA -0.149 4.421 4.556 0.023 0.000 0.305 230 H C 1.852 177.041 175.328 -0.232 0.000 1.132 230 H CA 0.555 56.290 56.048 -0.521 0.000 1.148 230 H CB -1.758 27.626 29.762 -0.629 0.000 1.379 230 H HN 0.307 nan 8.280 nan 0.000 0.398 231 S N -0.020 115.653 115.700 -0.044 0.000 2.489 231 S HA -0.084 4.402 4.470 0.025 0.000 0.228 231 S C 1.719 176.352 174.600 0.056 0.000 0.995 231 S CA 0.756 58.975 58.200 0.032 0.000 0.934 231 S CB 0.134 63.332 63.200 -0.002 0.000 0.771 231 S HN 0.698 nan 8.310 nan 0.000 0.522 232 D N 1.046 121.469 120.400 0.038 0.000 2.371 232 D HA -0.092 4.563 4.640 0.025 0.000 0.221 232 D C 0.431 176.781 176.300 0.084 0.000 0.986 232 D CA 0.453 54.496 54.000 0.071 0.000 0.899 232 D CB -0.310 40.543 40.800 0.089 0.000 0.902 232 D HN 0.156 nan 8.370 nan 0.000 0.530 233 D N 0.283 120.731 120.400 0.080 0.000 2.350 233 D HA -0.052 4.603 4.640 0.025 0.000 0.216 233 D C 0.680 177.009 176.300 0.049 0.000 0.968 233 D CA 0.777 54.824 54.000 0.079 0.000 0.894 233 D CB 0.064 40.913 40.800 0.081 0.000 0.909 233 D HN 0.214 nan 8.370 nan 0.000 0.520 234 T N -0.829 113.758 114.554 0.055 0.000 2.945 234 T HA 0.171 4.537 4.350 0.025 0.000 0.286 234 T C 0.151 174.883 174.700 0.053 0.000 1.025 234 T CA -0.789 61.334 62.100 0.037 0.000 1.039 234 T CB 1.426 70.312 68.868 0.031 0.000 1.068 234 T HN -0.269 nan 8.240 nan 0.000 0.497 235 D N 1.049 121.471 120.400 0.035 0.000 2.379 235 D HA 0.092 4.747 4.640 0.025 0.000 0.208 235 D C -0.047 176.283 176.300 0.050 0.000 1.065 235 D CA 0.037 54.062 54.000 0.041 0.000 0.848 235 D CB 0.281 41.097 40.800 0.026 0.000 0.949 235 D HN 0.522 nan 8.370 nan 0.000 0.509 236 D N 1.724 122.159 120.400 0.058 0.000 2.441 236 D HA -0.044 4.611 4.640 0.025 0.000 0.243 236 D C 1.389 177.765 176.300 0.126 0.000 1.257 236 D CA -0.221 53.828 54.000 0.081 0.000 1.027 236 D CB 0.537 41.377 40.800 0.066 0.000 1.084 236 D HN -0.039 nan 8.370 nan 0.000 0.514 237 L N 3.796 125.069 121.223 0.084 0.000 2.083 237 L HA -0.178 4.177 4.340 0.025 0.000 0.209 237 L C 2.273 179.177 176.870 0.057 0.000 1.083 237 L CA 2.109 56.990 54.840 0.069 0.000 0.752 237 L CB -0.748 41.345 42.059 0.056 0.000 0.899 237 L HN 0.424 nan 8.230 nan 0.000 0.433 238 S N -1.681 114.060 115.700 0.067 0.000 2.428 238 S HA -0.262 4.224 4.470 0.025 0.000 0.230 238 S C 2.149 176.781 174.600 0.054 0.000 1.014 238 S CA 0.922 59.152 58.200 0.050 0.000 0.957 238 S CB -1.142 62.090 63.200 0.053 0.000 0.784 238 S HN 0.626 nan 8.310 nan 0.000 0.499 239 Y N 2.470 122.754 120.300 -0.026 0.000 2.181 239 Y HA 0.003 4.568 4.550 0.024 0.000 0.288 239 Y C 1.850 177.715 175.900 -0.058 0.000 1.146 239 Y CA 1.466 59.542 58.100 -0.040 0.000 1.164 239 Y CB -0.474 37.964 38.460 -0.037 0.000 0.982 239 Y HN 0.240 nan 8.280 nan 0.000 0.515 240 L N -0.097 120.989 121.223 -0.228 0.000 2.027 240 L HA -0.179 4.176 4.340 0.025 0.000 0.206 240 L C 2.695 179.382 176.870 -0.305 0.000 1.074 240 L CA 1.937 56.579 54.840 -0.331 0.000 0.745 240 L CB -1.288 40.696 42.059 -0.126 0.000 0.898 240 L HN 0.390 nan 8.230 nan 0.000 0.433 241 T N -2.145 112.281 114.554 -0.214 0.000 2.788 241 T HA -0.132 4.233 4.350 0.025 0.000 0.268 241 T C 1.970 176.457 174.700 -0.354 0.000 1.044 241 T CA 0.960 62.869 62.100 -0.319 0.000 1.139 241 T CB -0.413 68.402 68.868 -0.088 0.000 0.867 241 T HN 0.305 nan 8.240 nan 0.000 0.454 242 A N 1.786 124.486 122.820 -0.201 0.000 1.883 242 A HA 0.106 4.441 4.320 0.025 0.000 0.217 242 A C 2.468 179.959 177.584 -0.156 0.000 1.186 242 A CA 1.496 53.451 52.037 -0.137 0.000 0.624 242 A CB -0.964 17.990 19.000 -0.076 0.000 0.822 242 A HN 0.543 nan 8.150 nan 0.000 0.444 243 L N -0.943 120.142 121.223 -0.230 0.000 2.056 243 L HA -0.174 4.181 4.340 0.025 0.000 0.207 243 L C 3.124 179.953 176.870 -0.069 0.000 1.078 243 L CA 1.010 55.766 54.840 -0.140 0.000 0.749 243 L CB -0.544 41.325 42.059 -0.316 0.000 0.901 243 L HN 0.445 nan 8.230 nan 0.000 0.433 244 A N 0.085 122.736 122.820 -0.282 0.000 1.902 244 A HA -0.206 4.129 4.320 0.025 0.000 0.217 244 A C 2.528 179.921 177.584 -0.318 0.000 1.181 244 A CA 1.764 53.580 52.037 -0.369 0.000 0.623 244 A CB -0.753 17.817 19.000 -0.717 0.000 0.818 244 A HN 0.409 nan 8.150 nan 0.000 0.443 245 A N -0.168 122.427 122.820 -0.374 0.000 1.940 245 A HA -0.191 4.145 4.320 0.025 0.000 0.219 245 A C 2.170 179.760 177.584 0.011 0.000 1.176 245 A CA 1.646 53.657 52.037 -0.042 0.000 0.631 245 A CB -0.435 18.568 19.000 0.004 0.000 0.814 245 A HN 0.566 nan 8.150 nan 0.000 0.446 246 R N -1.734 118.770 120.500 0.006 0.000 2.276 246 R HA 0.175 4.530 4.340 0.025 0.000 0.203 246 R C 1.333 177.585 176.300 -0.080 0.000 1.017 246 R CA 0.621 56.741 56.100 0.034 0.000 1.010 246 R CB -0.076 30.323 30.300 0.165 0.000 0.900 246 R HN 0.722 nan 8.270 nan 0.000 0.469 247 G N -0.948 107.797 108.800 -0.092 0.000 2.184 247 G HA2 -0.257 3.718 3.960 0.025 0.000 0.206 247 G HA3 -0.257 3.718 3.960 0.025 0.000 0.206 247 G C -0.301 174.437 174.900 -0.270 0.000 0.995 247 G CA -0.646 44.352 45.100 -0.171 0.000 0.651 247 G HN 0.190 nan 8.290 nan 0.000 0.511 248 Y N 1.025 121.292 120.300 -0.055 0.000 2.497 248 Y HA 0.473 5.038 4.550 0.025 0.000 0.334 248 Y C 1.302 177.142 175.900 -0.099 0.000 1.199 248 Y CA -0.529 57.533 58.100 -0.063 0.000 1.425 248 Y CB 0.532 38.948 38.460 -0.073 0.000 1.291 248 Y HN 0.003 nan 8.280 nan 0.000 0.562 249 L N 4.833 126.075 121.223 0.031 0.000 2.397 249 L HA 0.154 4.509 4.340 0.025 0.000 0.271 249 L C -0.167 176.644 176.870 -0.098 0.000 1.148 249 L CA -0.205 54.571 54.840 -0.105 0.000 0.825 249 L CB 0.481 42.346 42.059 -0.323 0.000 1.117 249 L HN 0.488 nan 8.230 nan 0.000 0.456 250 I N 2.486 122.984 120.570 -0.120 0.000 2.330 250 I HA 0.270 4.455 4.170 0.025 0.000 0.289 250 I C 0.814 176.858 176.117 -0.122 0.000 1.001 250 I CA -0.354 60.877 61.300 -0.115 0.000 1.193 250 I CB 1.161 39.097 38.000 -0.107 0.000 1.345 250 I HN 0.563 nan 8.210 nan 0.000 0.461 251 G N 7.471 116.196 108.800 -0.125 0.000 2.457 251 G HA2 0.507 4.482 3.960 0.025 0.000 0.316 251 G HA3 0.507 4.482 3.960 0.025 0.000 0.316 251 G C -0.089 174.755 174.900 -0.093 0.000 1.030 251 G CA -0.415 44.610 45.100 -0.125 0.000 1.073 251 G HN 0.556 nan 8.290 nan 0.000 0.430 252 L N 3.197 124.389 121.223 -0.051 0.000 2.449 252 L HA 0.258 4.613 4.340 0.025 0.000 0.255 252 L C 0.148 177.026 176.870 0.014 0.000 1.167 252 L CA -0.537 54.299 54.840 -0.006 0.000 1.090 252 L CB 0.545 42.623 42.059 0.032 0.000 1.385 252 L HN 0.661 nan 8.230 nan 0.000 0.411 253 D N -2.797 117.579 120.400 -0.041 0.000 2.469 253 D HA -0.024 4.631 4.640 0.025 0.000 0.215 253 D C 1.058 177.370 176.300 0.021 0.000 1.154 253 D CA 0.011 53.998 54.000 -0.021 0.000 0.832 253 D CB 0.087 40.804 40.800 -0.138 0.000 1.008 253 D HN 0.405 nan 8.370 nan 0.000 0.506 254 H N 0.315 119.324 119.070 -0.102 0.000 2.505 254 H HA 0.195 4.765 4.556 0.023 0.000 0.286 254 H C 1.214 176.560 175.328 0.030 0.000 1.072 254 H CA -0.518 55.383 56.048 -0.244 0.000 1.141 254 H CB 0.667 30.227 29.762 -0.335 0.000 1.550 254 H HN -0.010 nan 8.280 nan 0.000 0.547 255 I N 1.922 122.632 120.570 0.234 0.000 2.113 255 I HA -0.230 3.955 4.170 0.025 0.000 0.242 255 I C -0.646 175.613 176.117 0.237 0.000 1.057 255 I CA 1.418 62.895 61.300 0.294 0.000 1.314 255 I CB -2.258 35.968 38.000 0.376 0.000 1.022 255 I HN 0.297 nan 8.210 nan 0.000 0.408 256 P HA -0.075 nan 4.420 nan 0.000 0.249 256 P C 0.338 177.592 177.300 -0.077 0.000 1.229 256 P CA 0.771 63.588 63.100 -0.471 0.000 0.788 256 P CB -0.530 30.515 31.700 -1.093 0.000 1.072 257 H N 0.499 119.538 119.070 -0.051 0.000 3.045 257 H HA 0.275 4.845 4.556 0.024 0.000 0.254 257 H C 0.009 175.314 175.328 -0.039 0.000 1.747 257 H CA -0.076 55.933 56.048 -0.065 0.000 1.444 257 H CB 0.069 29.668 29.762 -0.273 0.000 1.778 257 H HN 0.004 nan 8.280 nan 0.000 0.544 258 S N 2.069 117.801 115.700 0.054 0.000 2.718 258 S HA 0.374 4.859 4.470 0.025 0.000 0.294 258 S C 0.538 175.159 174.600 0.034 0.000 1.157 258 S CA -0.756 57.480 58.200 0.061 0.000 1.121 258 S CB 0.477 63.739 63.200 0.104 0.000 1.015 258 S HN 0.631 nan 8.310 nan 0.000 0.479 259 A N 5.641 128.477 122.820 0.028 0.000 2.711 259 A HA 0.285 4.620 4.320 0.025 0.000 0.242 259 A C 0.460 178.061 177.584 0.029 0.000 1.607 259 A CA -0.182 51.870 52.037 0.024 0.000 1.370 259 A CB -0.935 18.079 19.000 0.023 0.000 0.934 259 A HN 0.877 nan 8.150 nan 0.000 0.628 260 I N 0.508 121.099 120.570 0.035 0.000 2.471 260 I HA 0.357 4.542 4.170 0.025 0.000 0.286 260 I C 1.242 177.377 176.117 0.031 0.000 1.079 260 I CA 0.903 62.223 61.300 0.034 0.000 1.398 260 I CB 0.543 38.571 38.000 0.046 0.000 1.403 260 I HN 0.640 nan 8.210 nan 0.000 0.530 261 G N 6.156 114.971 108.800 0.025 0.000 2.314 261 G HA2 -0.251 3.724 3.960 0.025 0.000 0.292 261 G HA3 -0.251 3.724 3.960 0.025 0.000 0.292 261 G C -0.189 174.725 174.900 0.022 0.000 1.059 261 G CA 0.125 45.239 45.100 0.023 0.000 0.982 261 G HN 0.568 nan 8.290 nan 0.000 0.505 262 L N -1.309 119.927 121.223 0.022 0.000 3.631 262 L HA 0.387 4.742 4.340 0.025 0.000 0.346 262 L C 1.338 178.221 176.870 0.021 0.000 1.329 262 L CA 0.276 55.129 54.840 0.022 0.000 1.018 262 L CB 0.552 42.626 42.059 0.025 0.000 1.412 262 L HN 0.156 nan 8.230 nan 0.000 0.618 263 E N -0.421 119.790 120.200 0.018 0.000 2.409 263 E HA -0.186 4.180 4.350 0.025 0.000 0.198 263 E C 1.415 178.024 176.600 0.014 0.000 1.024 263 E CA 1.187 57.597 56.400 0.017 0.000 0.861 263 E CB -0.012 29.697 29.700 0.014 0.000 0.788 263 E HN 0.676 nan 8.360 nan 0.000 0.521 264 D N -0.101 120.307 120.400 0.013 0.000 2.263 264 D HA -0.172 4.483 4.640 0.025 0.000 0.208 264 D C 0.591 176.897 176.300 0.010 0.000 0.971 264 D CA 0.683 54.689 54.000 0.010 0.000 0.867 264 D CB -0.013 40.793 40.800 0.010 0.000 0.929 264 D HN -0.083 nan 8.370 nan 0.000 0.492 265 N N -0.204 118.505 118.700 0.015 0.000 2.626 265 N HA 0.355 5.110 4.740 0.025 0.000 0.242 265 N C 0.318 175.844 175.510 0.026 0.000 1.005 265 N CA -0.181 52.879 53.050 0.017 0.000 0.905 265 N CB 1.402 39.902 38.487 0.022 0.000 1.128 265 N HN 0.130 nan 8.380 nan 0.000 0.512 266 A N 2.329 125.161 122.820 0.020 0.000 1.929 266 A HA -0.113 4.222 4.320 0.025 0.000 0.216 266 A C 2.013 179.628 177.584 0.050 0.000 1.176 266 A CA 1.871 53.924 52.037 0.027 0.000 0.628 266 A CB -0.438 18.570 19.000 0.013 0.000 0.816 266 A HN 0.692 nan 8.150 nan 0.000 0.444 267 S N 0.008 115.737 115.700 0.049 0.000 2.406 267 S HA 0.155 4.640 4.470 0.025 0.000 0.228 267 S C 2.054 176.789 174.600 0.226 0.000 1.020 267 S CA 1.087 59.355 58.200 0.114 0.000 0.965 267 S CB -0.493 62.681 63.200 -0.042 0.000 0.798 267 S HN 0.764 nan 8.310 nan 0.000 0.488 268 A N 2.683 125.585 122.820 0.138 0.000 1.855 268 A HA 0.000 4.335 4.320 0.025 0.000 0.215 268 A C 2.540 180.167 177.584 0.070 0.000 1.191 268 A CA 1.986 54.090 52.037 0.112 0.000 0.613 268 A CB -1.390 17.651 19.000 0.069 0.000 0.829 268 A HN 0.818 nan 8.150 nan 0.000 0.442 269 S N 0.053 115.786 115.700 0.056 0.000 2.442 269 S HA 0.097 4.582 4.470 0.025 0.000 0.236 269 S C 1.921 176.550 174.600 0.048 0.000 1.007 269 S CA 1.265 59.490 58.200 0.042 0.000 0.965 269 S CB -0.449 62.770 63.200 0.033 0.000 0.773 269 S HN 0.839 nan 8.310 nan 0.000 0.504 270 A N 1.515 124.379 122.820 0.073 0.000 1.929 270 A HA 0.227 4.562 4.320 0.025 0.000 0.216 270 A C 2.149 179.780 177.584 0.077 0.000 1.176 270 A CA 1.154 53.242 52.037 0.083 0.000 0.628 270 A CB -0.777 18.293 19.000 0.117 0.000 0.816 270 A HN 0.507 nan 8.150 nan 0.000 0.444 271 L N -0.303 120.966 121.223 0.077 0.000 1.994 271 L HA -0.105 4.250 4.340 0.025 0.000 0.208 271 L C 2.239 179.090 176.870 -0.031 0.000 1.071 271 L CA 1.820 56.638 54.840 -0.037 0.000 0.745 271 L CB -0.324 41.655 42.059 -0.133 0.000 0.892 271 L HN 0.415 nan 8.230 nan 0.000 0.431 272 L N -1.616 119.599 121.223 -0.012 0.000 2.117 272 L HA 0.407 4.763 4.340 0.025 0.000 0.200 272 L C 1.059 177.935 176.870 0.009 0.000 1.110 272 L CA 0.364 55.196 54.840 -0.013 0.000 0.774 272 L CB -0.869 41.182 42.059 -0.014 0.000 0.934 272 L HN 0.394 nan 8.230 nan 0.000 0.456 273 G N -0.626 108.186 108.800 0.021 0.000 2.440 273 G HA2 -0.096 3.879 3.960 0.025 0.000 0.684 273 G HA3 -0.096 3.879 3.960 0.025 0.000 0.684 273 G C -0.397 174.520 174.900 0.029 0.000 1.309 273 G CA -0.478 44.638 45.100 0.026 0.000 0.931 273 G HN -0.039 nan 8.290 nan 0.000 0.612 274 I N 0.429 121.014 120.570 0.026 0.000 3.708 274 I HA 0.240 4.425 4.170 0.025 0.000 0.302 274 I C 1.700 177.831 176.117 0.023 0.000 1.255 274 I CA 0.212 61.526 61.300 0.024 0.000 1.362 274 I CB -0.534 37.476 38.000 0.017 0.000 1.100 274 I HN 0.535 nan 8.210 nan 0.000 0.434 275 R N 1.601 122.117 120.500 0.026 0.000 2.523 275 R HA -0.011 4.344 4.340 0.025 0.000 0.281 275 R C 0.868 177.186 176.300 0.029 0.000 0.969 275 R CA 0.210 56.324 56.100 0.023 0.000 1.093 275 R CB 0.129 30.450 30.300 0.034 0.000 0.917 275 R HN 0.346 nan 8.270 nan 0.000 0.408 276 S N 3.740 119.434 115.700 -0.009 0.000 2.593 276 S HA 0.035 4.520 4.470 0.025 0.000 0.269 276 S C 1.431 176.034 174.600 0.005 0.000 1.334 276 S CA -0.861 57.315 58.200 -0.040 0.000 1.015 276 S CB 0.580 63.680 63.200 -0.166 0.000 0.912 276 S HN 0.898 nan 8.310 nan 0.000 0.541 277 W N 1.355 122.650 121.300 -0.008 0.000 2.374 277 W HA -0.159 4.516 4.660 0.025 0.000 0.288 277 W C 1.077 177.557 176.519 -0.064 0.000 1.218 277 W CA 1.100 58.458 57.345 0.021 0.000 1.245 277 W CB -1.055 28.481 29.460 0.126 0.000 1.126 277 W HN 0.651 nan 8.180 nan 0.000 0.545 278 Q N 1.207 120.470 119.800 -0.895 0.000 2.084 278 Q HA -0.116 4.239 4.340 0.025 0.000 0.202 278 Q C 2.398 178.202 176.000 -0.327 0.000 0.978 278 Q CA 3.307 58.463 55.803 -1.079 0.000 0.844 278 Q CB -0.917 27.129 28.738 -1.153 0.000 0.898 278 Q HN 0.146 nan 8.270 nan 0.000 0.426 279 T N 0.268 114.713 114.554 -0.183 0.000 2.746 279 T HA -0.129 4.237 4.350 0.025 0.000 0.267 279 T C 1.655 176.378 174.700 0.040 0.000 1.039 279 T CA 1.301 63.380 62.100 -0.035 0.000 1.142 279 T CB -0.109 68.745 68.868 -0.024 0.000 0.866 279 T HN 0.223 nan 8.240 nan 0.000 0.444 280 R N 0.987 121.528 120.500 0.069 0.000 2.066 280 R HA 0.065 4.420 4.340 0.025 0.000 0.232 280 R C 2.835 179.232 176.300 0.162 0.000 1.131 280 R CA 1.270 57.446 56.100 0.127 0.000 0.955 280 R CB -0.495 29.908 30.300 0.172 0.000 0.851 280 R HN 0.335 nan 8.270 nan 0.000 0.432 281 A N 1.175 124.118 122.820 0.204 0.000 1.978 281 A HA -0.134 4.201 4.320 0.025 0.000 0.220 281 A C 2.118 179.866 177.584 0.275 0.000 1.170 281 A CA 1.195 53.398 52.037 0.277 0.000 0.636 281 A CB -0.542 18.676 19.000 0.364 0.000 0.810 281 A HN 0.210 nan 8.150 nan 0.000 0.448 282 L N -0.675 120.693 121.223 0.241 0.000 2.275 282 L HA -0.110 4.245 4.340 0.025 0.000 0.215 282 L C 2.289 179.235 176.870 0.128 0.000 1.119 282 L CA 0.460 55.419 54.840 0.199 0.000 0.790 282 L CB -0.345 41.809 42.059 0.159 0.000 0.919 282 L HN 0.398 nan 8.230 nan 0.000 0.443 283 L N -0.536 120.757 121.223 0.116 0.000 2.201 283 L HA -0.212 4.143 4.340 0.025 0.000 0.212 283 L C 2.361 179.284 176.870 0.089 0.000 1.105 283 L CA 1.143 56.038 54.840 0.092 0.000 0.775 283 L CB -0.251 41.858 42.059 0.083 0.000 0.913 283 L HN 0.263 nan 8.230 nan 0.000 0.440 284 I N -0.136 120.499 120.570 0.109 0.000 2.202 284 I HA -0.316 3.870 4.170 0.025 0.000 0.242 284 I C 2.639 178.805 176.117 0.082 0.000 1.091 284 I CA 1.332 62.689 61.300 0.094 0.000 1.368 284 I CB -0.295 37.774 38.000 0.115 0.000 1.058 284 I HN 0.198 nan 8.210 nan 0.000 0.410 285 K N 1.452 121.906 120.400 0.090 0.000 2.097 285 K HA -0.168 4.167 4.320 0.025 0.000 0.206 285 K C 2.215 178.846 176.600 0.051 0.000 1.049 285 K CA 1.397 57.719 56.287 0.058 0.000 0.933 285 K CB -0.115 32.410 32.500 0.043 0.000 0.717 285 K HN 0.283 nan 8.250 nan 0.000 0.442 286 A N 1.326 124.184 122.820 0.063 0.000 1.883 286 A HA -0.149 4.186 4.320 0.025 0.000 0.217 286 A C 2.117 179.751 177.584 0.082 0.000 1.186 286 A CA 1.450 53.524 52.037 0.063 0.000 0.624 286 A CB -0.682 18.357 19.000 0.064 0.000 0.822 286 A HN 0.337 nan 8.150 nan 0.000 0.444 287 L N -0.714 120.565 121.223 0.094 0.000 2.046 287 L HA -0.178 4.177 4.340 0.025 0.000 0.208 287 L C 2.502 179.452 176.870 0.133 0.000 1.077 287 L CA 1.173 56.101 54.840 0.146 0.000 0.747 287 L CB -0.490 41.635 42.059 0.109 0.000 0.896 287 L HN 0.395 nan 8.230 nan 0.000 0.432 288 I N -0.130 120.484 120.570 0.072 0.000 2.127 288 I HA -0.327 3.858 4.170 0.025 0.000 0.241 288 I C 2.083 178.202 176.117 0.003 0.000 1.075 288 I CA 1.374 62.693 61.300 0.032 0.000 1.334 288 I CB -0.427 37.585 38.000 0.020 0.000 1.040 288 I HN 0.255 nan 8.210 nan 0.000 0.405 289 D N 0.435 120.842 120.400 0.012 0.000 2.221 289 D HA -0.179 4.476 4.640 0.025 0.000 0.204 289 D C 2.039 178.326 176.300 -0.021 0.000 0.982 289 D CA 1.044 55.041 54.000 -0.005 0.000 0.857 289 D CB -0.235 40.570 40.800 0.007 0.000 0.934 289 D HN 0.445 nan 8.370 nan 0.000 0.475 290 Q N -0.776 119.025 119.800 0.002 0.000 2.403 290 Q HA 0.198 4.553 4.340 0.025 0.000 0.203 290 Q C 1.156 176.977 176.000 -0.299 0.000 0.932 290 Q CA 0.659 56.444 55.803 -0.029 0.000 0.945 290 Q CB 1.014 29.858 28.738 0.178 0.000 1.045 290 Q HN 0.329 nan 8.270 nan 0.000 0.511 291 G N 0.732 109.357 108.800 -0.293 0.000 2.134 291 G HA2 -0.267 3.708 3.960 0.025 0.000 0.209 291 G HA3 -0.267 3.708 3.960 0.025 0.000 0.209 291 G C -0.008 174.554 174.900 -0.564 0.000 0.993 291 G CA -0.276 44.563 45.100 -0.436 0.000 0.669 291 G HN 0.419 nan 8.290 nan 0.000 0.519 292 Y N 0.462 120.753 120.300 -0.014 0.000 2.751 292 Y HA 0.347 4.913 4.550 0.026 0.000 0.289 292 Y C 2.445 178.331 175.900 -0.023 0.000 1.110 292 Y CA 0.072 58.161 58.100 -0.019 0.000 1.251 292 Y CB -0.188 38.260 38.460 -0.020 0.000 1.178 292 Y HN 0.437 nan 8.280 nan 0.000 0.540 293 M N -1.243 118.388 119.600 0.052 0.000 2.202 293 M HA -0.171 4.324 4.480 0.025 0.000 0.262 293 M C 1.405 177.719 176.300 0.023 0.000 1.063 293 M CA 1.836 57.154 55.300 0.030 0.000 1.097 293 M CB -0.383 32.217 32.600 -0.001 0.000 1.382 293 M HN 0.046 nan 8.290 nan 0.000 0.413 294 K N 0.344 120.761 120.400 0.028 0.000 2.442 294 K HA -0.043 4.292 4.320 0.025 0.000 0.198 294 K C 1.251 177.859 176.600 0.014 0.000 1.042 294 K CA 0.750 57.047 56.287 0.016 0.000 0.958 294 K CB 0.029 32.539 32.500 0.016 0.000 0.766 294 K HN 0.508 nan 8.250 nan 0.000 0.474 295 Q N 0.063 119.886 119.800 0.038 0.000 2.188 295 Q HA 0.229 4.585 4.340 0.025 0.000 0.212 295 Q C -0.061 175.913 176.000 -0.043 0.000 0.846 295 Q CA 0.200 56.003 55.803 0.000 0.000 0.989 295 Q CB 0.545 29.297 28.738 0.022 0.000 1.114 295 Q HN 0.278 nan 8.270 nan 0.000 0.488 296 I N 1.321 121.867 120.570 -0.039 0.000 2.404 296 I HA 0.351 4.536 4.170 0.025 0.000 0.293 296 I C -0.504 175.557 176.117 -0.093 0.000 0.992 296 I CA -0.664 60.605 61.300 -0.052 0.000 1.149 296 I CB 1.440 39.433 38.000 -0.012 0.000 1.315 296 I HN -0.129 nan 8.210 nan 0.000 0.446 297 L N 7.034 128.185 121.223 -0.120 0.000 2.362 297 L HA 0.651 5.007 4.340 0.025 0.000 0.275 297 L C -0.592 176.235 176.870 -0.072 0.000 0.998 297 L CA -0.908 53.852 54.840 -0.133 0.000 0.820 297 L CB 2.179 44.097 42.059 -0.235 0.000 1.270 297 L HN 0.371 nan 8.230 nan 0.000 0.415 298 V N 1.513 121.401 119.914 -0.043 0.000 2.715 298 V HA 0.883 5.019 4.120 0.025 0.000 0.310 298 V C -0.554 175.571 176.094 0.052 0.000 1.054 298 V CA 0.184 62.493 62.300 0.014 0.000 0.928 298 V CB 2.096 33.945 31.823 0.043 0.000 1.007 298 V HN 0.854 nan 8.190 nan 0.000 0.437 299 S N 2.941 118.701 115.700 0.099 0.000 2.724 299 S HA 0.517 5.003 4.470 0.025 0.000 0.278 299 S C -0.015 174.702 174.600 0.195 0.000 1.190 299 S CA -0.276 58.014 58.200 0.151 0.000 0.860 299 S CB 1.833 65.127 63.200 0.157 0.000 1.206 299 S HN 0.897 nan 8.310 nan 0.000 0.507 300 N N 0.767 119.613 118.700 0.243 0.000 2.348 300 N HA 0.085 4.840 4.740 0.025 0.000 0.183 300 N C -0.697 175.090 175.510 0.462 0.000 1.094 300 N CA 0.276 53.515 53.050 0.314 0.000 0.885 300 N CB 0.066 38.713 38.487 0.267 0.000 1.065 300 N HN 0.722 nan 8.380 nan 0.000 0.472 301 D N 0.269 120.909 120.400 0.401 0.000 2.689 301 D HA -0.192 4.464 4.640 0.025 0.000 0.237 301 D C -0.498 176.121 176.300 0.531 0.000 1.148 301 D CA 0.415 54.709 54.000 0.489 0.000 0.656 301 D CB -1.048 39.949 40.800 0.328 0.000 1.050 301 D HN 0.386 nan 8.370 nan 0.000 0.426 302 W N -0.197 121.183 121.300 0.132 0.000 2.225 302 W HA 0.614 5.293 4.660 0.032 0.000 0.377 302 W C 0.357 176.765 176.519 -0.184 0.000 1.418 302 W CA -0.649 56.659 57.345 -0.061 0.000 1.562 302 W CB 0.786 30.159 29.460 -0.146 0.000 1.297 302 W HN 0.151 nan 8.180 nan 0.000 0.686 303 L N -0.919 119.878 121.223 -0.711 0.000 2.794 303 L HA 0.380 4.735 4.340 0.025 0.000 0.261 303 L C -1.383 174.996 176.870 -0.819 0.000 0.989 303 L CA -0.789 53.645 54.840 -0.678 0.000 0.900 303 L CB 1.379 43.116 42.059 -0.535 0.000 1.473 303 L HN 0.382 nan 8.230 nan 0.000 0.414 304 F N 0.266 120.191 119.950 -0.041 0.000 2.717 304 F HA 0.571 5.112 4.527 0.023 0.000 0.297 304 F C 1.282 177.105 175.800 0.040 0.000 1.113 304 F CA 0.154 58.163 58.000 0.016 0.000 1.319 304 F CB 1.120 40.143 39.000 0.038 0.000 1.097 304 F HN 0.682 nan 8.300 nan 0.000 0.595 305 G N -0.573 108.316 108.800 0.148 0.000 2.612 305 G HA2 0.513 4.488 3.960 0.025 0.000 0.298 305 G HA3 0.513 4.488 3.960 0.025 0.000 0.298 305 G C -2.039 173.063 174.900 0.337 0.000 1.336 305 G CA -0.364 44.919 45.100 0.306 0.000 0.953 305 G HN -0.141 nan 8.290 nan 0.000 0.482 306 F N 2.374 122.494 119.950 0.283 0.000 3.167 306 F HA 0.336 4.873 4.527 0.016 0.000 0.389 306 F C 0.972 176.872 175.800 0.168 0.000 1.233 306 F CA -1.611 56.453 58.000 0.108 0.000 1.238 306 F CB 1.236 40.220 39.000 -0.026 0.000 1.971 306 F HN 0.462 nan 8.300 nan 0.000 0.651 307 S N 0.335 116.217 115.700 0.303 0.000 2.501 307 S HA -0.027 4.458 4.470 0.025 0.000 0.220 307 S C 1.308 175.654 174.600 -0.423 0.000 0.997 307 S CA 0.739 58.776 58.200 -0.271 0.000 0.919 307 S CB -0.303 62.411 63.200 -0.810 0.000 0.778 307 S HN 0.454 nan 8.310 nan 0.000 0.523 308 S N -0.000 115.610 115.700 -0.149 0.000 2.743 308 S HA 0.356 4.841 4.470 0.025 0.000 0.230 308 S C -0.290 174.265 174.600 -0.075 0.000 0.950 308 S CA -0.609 57.537 58.200 -0.090 0.000 0.976 308 S CB -0.722 62.557 63.200 0.132 0.000 0.779 308 S HN 0.584 nan 8.310 nan 0.000 0.487 309 Y N 0.752 120.713 120.300 -0.565 0.000 2.876 309 Y HA 0.546 5.107 4.550 0.020 0.000 0.317 309 Y C -0.220 175.457 175.900 -0.372 0.000 1.369 309 Y CA -1.961 55.784 58.100 -0.591 0.000 1.101 309 Y CB 0.947 38.665 38.460 -1.237 0.000 1.346 309 Y HN 0.119 nan 8.280 nan 0.000 0.505 310 V N 0.702 120.106 119.914 -0.849 0.000 2.901 310 V HA 0.225 4.360 4.120 0.025 0.000 0.307 310 V C 0.068 176.026 176.094 -0.226 0.000 1.084 310 V CA -0.435 61.575 62.300 -0.483 0.000 1.184 310 V CB -0.313 31.203 31.823 -0.511 0.000 0.941 310 V HN 0.745 nan 8.190 nan 0.000 0.493 311 T N 4.795 119.272 114.554 -0.128 0.000 2.946 311 T HA 0.147 4.512 4.350 0.025 0.000 0.311 311 T C 0.956 175.588 174.700 -0.113 0.000 1.063 311 T CA 1.124 63.172 62.100 -0.086 0.000 1.139 311 T CB -0.451 68.369 68.868 -0.080 0.000 0.994 311 T HN 1.131 nan 8.240 nan 0.000 0.547 312 N N -0.578 118.042 118.700 -0.132 0.000 2.828 312 N HA -0.199 4.556 4.740 0.025 0.000 0.248 312 N C 0.824 176.315 175.510 -0.032 0.000 1.044 312 N CA 0.454 53.451 53.050 -0.089 0.000 0.851 312 N CB -1.170 37.267 38.487 -0.082 0.000 1.136 312 N HN 0.543 nan 8.380 nan 0.000 0.572 313 I N 0.594 121.153 120.570 -0.017 0.000 2.315 313 I HA -0.249 3.936 4.170 0.025 0.000 0.251 313 I C 2.034 178.191 176.117 0.065 0.000 1.125 313 I CA 1.666 62.995 61.300 0.048 0.000 1.392 313 I CB -0.159 37.900 38.000 0.099 0.000 1.065 313 I HN 0.324 nan 8.210 nan 0.000 0.424 314 M N -0.271 119.371 119.600 0.069 0.000 2.108 314 M HA -0.211 4.284 4.480 0.025 0.000 0.261 314 M C 1.817 178.152 176.300 0.058 0.000 1.066 314 M CA 1.670 57.008 55.300 0.065 0.000 1.107 314 M CB -1.174 31.481 32.600 0.093 0.000 1.356 314 M HN 0.267 nan 8.290 nan 0.000 0.406 315 D N 0.100 120.525 120.400 0.043 0.000 2.117 315 D HA -0.113 4.543 4.640 0.025 0.000 0.197 315 D C 2.162 178.493 176.300 0.051 0.000 0.987 315 D CA 1.113 55.139 54.000 0.044 0.000 0.829 315 D CB -0.437 40.374 40.800 0.019 0.000 0.961 315 D HN 0.193 nan 8.370 nan 0.000 0.460 316 V N 1.056 120.995 119.914 0.042 0.000 2.295 316 V HA -0.242 3.893 4.120 0.025 0.000 0.246 316 V C 2.563 178.694 176.094 0.061 0.000 1.049 316 V CA 1.409 63.735 62.300 0.045 0.000 1.024 316 V CB -0.443 31.404 31.823 0.040 0.000 0.648 316 V HN 0.184 nan 8.190 nan 0.000 0.447 317 M N -0.314 119.319 119.600 0.055 0.000 2.132 317 M HA -0.164 4.332 4.480 0.025 0.000 0.263 317 M C 1.952 178.421 176.300 0.281 0.000 1.065 317 M CA 1.721 57.069 55.300 0.081 0.000 1.122 317 M CB -0.590 31.904 32.600 -0.176 0.000 1.365 317 M HN 0.327 nan 8.290 nan 0.000 0.411 318 D N -0.254 120.284 120.400 0.231 0.000 2.219 318 D HA -0.098 4.558 4.640 0.025 0.000 0.205 318 D C 1.984 178.368 176.300 0.139 0.000 0.970 318 D CA 1.028 55.184 54.000 0.260 0.000 0.851 318 D CB -0.215 40.711 40.800 0.211 0.000 0.943 318 D HN 0.271 nan 8.370 nan 0.000 0.488 319 R N 0.219 120.778 120.500 0.098 0.000 2.090 319 R HA -0.031 4.325 4.340 0.025 0.000 0.228 319 R C 2.253 178.576 176.300 0.039 0.000 1.110 319 R CA 0.397 56.531 56.100 0.057 0.000 0.973 319 R CB -0.041 30.286 30.300 0.046 0.000 0.869 319 R HN -0.027 nan 8.270 nan 0.000 0.440 320 V N 0.780 120.723 119.914 0.049 0.000 2.358 320 V HA -0.166 3.970 4.120 0.025 0.000 0.246 320 V C 0.710 176.760 176.094 -0.073 0.000 1.047 320 V CA 1.538 63.845 62.300 0.012 0.000 1.035 320 V CB -0.434 31.409 31.823 0.033 0.000 0.658 320 V HN 0.366 nan 8.190 nan 0.000 0.452 321 N N 0.081 118.722 118.700 -0.099 0.000 2.791 321 N HA 0.220 4.975 4.740 0.025 0.000 0.265 321 N C -1.718 173.618 175.510 -0.290 0.000 1.580 321 N CA -1.843 50.977 53.050 -0.382 0.000 0.809 321 N CB 1.315 39.234 38.487 -0.947 0.000 1.178 321 N HN 0.093 nan 8.380 nan 0.000 0.499 322 P HA -0.025 nan 4.420 nan 0.000 0.226 322 P C 0.185 177.429 177.300 -0.093 0.000 1.153 322 P CA 0.799 63.865 63.100 -0.056 0.000 0.777 322 P CB 0.564 32.254 31.700 -0.016 0.000 0.794 323 D N -0.175 120.135 120.400 -0.150 0.000 2.219 323 D HA -0.024 4.631 4.640 0.025 0.000 0.205 323 D C 1.716 177.889 176.300 -0.211 0.000 0.970 323 D CA 1.456 55.380 54.000 -0.127 0.000 0.851 323 D CB -0.415 40.348 40.800 -0.061 0.000 0.943 323 D HN 0.180 nan 8.370 nan 0.000 0.488 324 G N 1.204 109.702 108.800 -0.504 0.000 2.583 324 G HA2 -0.397 3.578 3.960 0.025 0.000 0.292 324 G HA3 -0.397 3.578 3.960 0.025 0.000 0.292 324 G C 0.993 175.548 174.900 -0.575 0.000 1.203 324 G CA 0.466 45.080 45.100 -0.811 0.000 0.987 324 G HN 0.260 nan 8.290 nan 0.000 0.554 325 M N 1.388 120.888 119.600 -0.167 0.000 2.549 325 M HA 0.129 4.625 4.480 0.025 0.000 0.260 325 M C 2.637 178.941 176.300 0.007 0.000 1.076 325 M CA 1.522 56.828 55.300 0.010 0.000 1.090 325 M CB -0.154 32.536 32.600 0.150 0.000 1.418 325 M HN 0.712 nan 8.290 nan 0.000 0.486 326 A N -0.649 122.146 122.820 -0.041 0.000 2.238 326 A HA -0.034 4.301 4.320 0.025 0.000 0.208 326 A C 1.776 179.308 177.584 -0.086 0.000 1.177 326 A CA 0.158 52.155 52.037 -0.066 0.000 0.804 326 A CB -0.825 18.131 19.000 -0.073 0.000 0.823 326 A HN 0.527 nan 8.150 nan 0.000 0.482 327 F N 0.657 120.460 119.950 -0.244 0.000 2.134 327 F HA -0.210 4.332 4.527 0.026 0.000 0.299 327 F C 1.893 177.562 175.800 -0.217 0.000 1.097 327 F CA 1.527 59.345 58.000 -0.304 0.000 1.264 327 F CB 0.057 38.809 39.000 -0.413 0.000 1.001 327 F HN 0.178 nan 8.300 nan 0.000 0.479 328 I N 1.728 122.272 120.570 -0.044 0.000 2.099 328 I HA -0.199 3.986 4.170 0.025 0.000 0.239 328 I C -0.331 175.762 176.117 -0.040 0.000 1.066 328 I CA 1.744 63.034 61.300 -0.017 0.000 1.324 328 I CB -2.954 35.155 38.000 0.182 0.000 1.037 328 I HN 0.120 nan 8.210 nan 0.000 0.401 329 P HA -0.092 nan 4.420 nan 0.000 0.219 329 P C 2.184 179.397 177.300 -0.144 0.000 1.150 329 P CA 1.413 64.455 63.100 -0.097 0.000 0.814 329 P CB 0.031 31.506 31.700 -0.376 0.000 0.787 330 L N -1.673 119.426 121.223 -0.207 0.000 2.162 330 L HA 0.033 4.388 4.340 0.025 0.000 0.205 330 L C 2.712 179.411 176.870 -0.286 0.000 1.086 330 L CA 1.001 55.714 54.840 -0.212 0.000 0.778 330 L CB -0.354 41.588 42.059 -0.195 0.000 0.928 330 L HN -0.109 nan 8.230 nan 0.000 0.446 331 R N -0.785 119.393 120.500 -0.537 0.000 2.119 331 R HA 0.127 4.482 4.340 0.025 0.000 0.202 331 R C 2.148 178.154 176.300 -0.489 0.000 1.114 331 R CA 0.612 56.278 56.100 -0.725 0.000 1.089 331 R CB -0.791 28.523 30.300 -1.643 0.000 1.000 331 R HN 0.043 nan 8.270 nan 0.000 0.487 332 V N 2.408 121.987 119.914 -0.559 0.000 2.307 332 V HA -0.170 3.966 4.120 0.025 0.000 0.245 332 V C 2.402 178.575 176.094 0.131 0.000 1.045 332 V CA 1.427 63.673 62.300 -0.090 0.000 1.024 332 V CB -0.425 31.363 31.823 -0.058 0.000 0.651 332 V HN 0.086 nan 8.190 nan 0.000 0.449 333 I N 0.130 120.736 120.570 0.060 0.000 2.226 333 I HA -0.096 4.089 4.170 0.025 0.000 0.245 333 I C 0.081 176.259 176.117 0.102 0.000 1.100 333 I CA 1.530 62.894 61.300 0.106 0.000 1.374 333 I CB -2.672 35.407 38.000 0.132 0.000 1.057 333 I HN 0.339 nan 8.210 nan 0.000 0.413 334 P HA -0.170 nan 4.420 nan 0.000 0.219 334 P C 1.996 179.380 177.300 0.140 0.000 1.150 334 P CA 1.132 64.282 63.100 0.083 0.000 0.814 334 P CB -0.167 31.567 31.700 0.056 0.000 0.787 335 F N 0.322 120.321 119.950 0.082 0.000 2.113 335 F HA -0.143 4.400 4.527 0.026 0.000 0.297 335 F C 1.883 177.735 175.800 0.086 0.000 1.103 335 F CA 1.447 59.528 58.000 0.134 0.000 1.248 335 F CB -0.930 38.258 39.000 0.313 0.000 0.999 335 F HN -0.271 nan 8.300 nan 0.000 0.475 336 L N 0.131 121.395 121.223 0.069 0.000 2.046 336 L HA -0.214 4.141 4.340 0.025 0.000 0.208 336 L C 2.756 179.571 176.870 -0.091 0.000 1.077 336 L CA 1.674 56.483 54.840 -0.052 0.000 0.747 336 L CB -0.728 41.385 42.059 0.090 0.000 0.896 336 L HN 0.132 nan 8.230 nan 0.000 0.432 337 R N 0.430 120.910 120.500 -0.032 0.000 2.081 337 R HA -0.237 4.118 4.340 0.025 0.000 0.235 337 R C 2.201 178.458 176.300 -0.072 0.000 1.131 337 R CA 1.803 57.882 56.100 -0.035 0.000 0.960 337 R CB -0.065 30.234 30.300 -0.001 0.000 0.856 337 R HN 0.287 nan 8.270 nan 0.000 0.436 338 E N 0.278 120.419 120.200 -0.098 0.000 2.153 338 E HA -0.145 4.220 4.350 0.025 0.000 0.194 338 E C 1.004 177.497 176.600 -0.178 0.000 0.988 338 E CA 1.132 57.463 56.400 -0.116 0.000 0.811 338 E CB 0.267 29.905 29.700 -0.103 0.000 0.746 338 E HN 0.062 nan 8.360 nan 0.000 0.466 339 K N -0.864 119.370 120.400 -0.277 0.000 2.505 339 K HA 0.111 4.446 4.320 0.025 0.000 0.192 339 K C 0.897 177.408 176.600 -0.147 0.000 1.025 339 K CA 0.743 56.871 56.287 -0.266 0.000 1.086 339 K CB 0.757 33.017 32.500 -0.400 0.000 0.840 339 K HN 0.311 nan 8.250 nan 0.000 0.514 340 G N 0.615 109.350 108.800 -0.108 0.000 2.179 340 G HA2 -0.229 3.746 3.960 0.025 0.000 0.220 340 G HA3 -0.229 3.746 3.960 0.025 0.000 0.220 340 G C 0.118 174.987 174.900 -0.051 0.000 0.990 340 G CA -0.047 45.012 45.100 -0.067 0.000 0.646 340 G HN 0.104 nan 8.290 nan 0.000 0.517 341 V N 3.259 123.141 119.914 -0.053 0.000 2.479 341 V HA 0.362 4.497 4.120 0.025 0.000 0.281 341 V C -1.078 175.005 176.094 -0.019 0.000 1.031 341 V CA -0.938 61.344 62.300 -0.030 0.000 1.038 341 V CB 0.884 32.695 31.823 -0.019 0.000 0.981 341 V HN 0.242 nan 8.190 nan 0.000 0.478 342 P HA 0.083 nan 4.420 nan 0.000 0.274 342 P C 0.675 177.974 177.300 -0.002 0.000 1.231 342 P CA -0.236 62.858 63.100 -0.010 0.000 0.790 342 P CB 0.754 32.447 31.700 -0.012 0.000 0.951 343 Q N 1.355 121.156 119.800 0.002 0.000 2.062 343 Q HA -0.262 4.093 4.340 0.025 0.000 0.209 343 Q C 1.343 177.348 176.000 0.009 0.000 0.996 343 Q CA 2.266 58.075 55.803 0.011 0.000 0.859 343 Q CB -0.144 28.601 28.738 0.011 0.000 0.920 343 Q HN 0.424 nan 8.270 nan 0.000 0.415 344 E N -0.567 119.634 120.200 0.003 0.000 2.085 344 E HA -0.128 4.237 4.350 0.025 0.000 0.194 344 E C 2.013 178.610 176.600 -0.005 0.000 0.994 344 E CA 1.835 58.234 56.400 -0.001 0.000 0.801 344 E CB -0.506 29.191 29.700 -0.004 0.000 0.743 344 E HN 0.361 nan 8.360 nan 0.000 0.453 345 T N 0.849 115.399 114.554 -0.007 0.000 2.788 345 T HA -0.076 4.289 4.350 0.025 0.000 0.268 345 T C 1.835 176.529 174.700 -0.011 0.000 1.044 345 T CA 0.910 63.004 62.100 -0.010 0.000 1.139 345 T CB -0.209 68.653 68.868 -0.009 0.000 0.867 345 T HN 0.071 nan 8.240 nan 0.000 0.454 346 L N 0.633 121.855 121.223 -0.002 0.000 2.109 346 L HA 0.030 4.385 4.340 0.025 0.000 0.207 346 L C 3.042 179.900 176.870 -0.020 0.000 1.086 346 L CA 0.947 55.788 54.840 0.001 0.000 0.760 346 L CB -0.651 41.426 42.059 0.029 0.000 0.910 346 L HN 0.224 nan 8.230 nan 0.000 0.437 347 A N 0.520 123.336 122.820 -0.007 0.000 1.902 347 A HA -0.108 4.227 4.320 0.025 0.000 0.217 347 A C 2.419 179.976 177.584 -0.045 0.000 1.181 347 A CA 1.673 53.702 52.037 -0.014 0.000 0.623 347 A CB -1.229 17.777 19.000 0.009 0.000 0.818 347 A HN 0.421 nan 8.150 nan 0.000 0.443 348 G N -0.032 108.747 108.800 -0.035 0.000 2.440 348 G HA2 -0.198 3.778 3.960 0.025 0.000 0.218 348 G HA3 -0.198 3.778 3.960 0.025 0.000 0.218 348 G C 1.518 176.382 174.900 -0.060 0.000 1.154 348 G CA 1.204 46.281 45.100 -0.038 0.000 0.767 348 G HN 0.480 nan 8.290 nan 0.000 0.552 349 I N 1.224 121.752 120.570 -0.071 0.000 2.353 349 I HA -0.088 4.097 4.170 0.025 0.000 0.248 349 I C 3.002 179.021 176.117 -0.162 0.000 1.119 349 I CA 1.658 62.905 61.300 -0.090 0.000 1.417 349 I CB -0.095 37.867 38.000 -0.064 0.000 1.078 349 I HN 0.324 nan 8.210 nan 0.000 0.421 350 T N -3.059 111.346 114.554 -0.250 0.000 3.051 350 T HA 0.130 4.496 4.350 0.025 0.000 0.255 350 T C 1.437 175.875 174.700 -0.437 0.000 1.085 350 T CA 0.387 62.177 62.100 -0.517 0.000 1.109 350 T CB 0.154 68.436 68.868 -0.976 0.000 0.921 350 T HN 0.093 nan 8.240 nan 0.000 0.488 351 V N 0.913 120.697 119.914 -0.217 0.000 2.950 351 V HA 0.059 4.194 4.120 0.025 0.000 0.231 351 V C 2.790 178.851 176.094 -0.055 0.000 1.205 351 V CA 1.172 63.410 62.300 -0.104 0.000 1.239 351 V CB -0.307 31.493 31.823 -0.038 0.000 1.050 351 V HN 0.377 nan 8.190 nan 0.000 0.498 352 T N 1.000 115.526 114.554 -0.047 0.000 2.777 352 T HA -0.121 4.244 4.350 0.025 0.000 0.266 352 T C 1.773 176.463 174.700 -0.016 0.000 1.040 352 T CA 1.686 63.771 62.100 -0.024 0.000 1.141 352 T CB -0.280 68.576 68.868 -0.020 0.000 0.868 352 T HN 0.324 nan 8.240 nan 0.000 0.444 353 N N 1.467 120.149 118.700 -0.030 0.000 2.080 353 N HA -0.025 4.730 4.740 0.025 0.000 0.189 353 N C -0.980 174.544 175.510 0.024 0.000 1.036 353 N CA 1.064 54.103 53.050 -0.017 0.000 0.846 353 N CB -1.547 36.908 38.487 -0.053 0.000 1.015 353 N HN 0.302 nan 8.380 nan 0.000 0.423 354 P HA -0.055 nan 4.420 nan 0.000 0.216 354 P C 1.038 178.396 177.300 0.097 0.000 1.150 354 P CA 1.484 64.632 63.100 0.079 0.000 0.837 354 P CB -0.050 31.662 31.700 0.020 0.000 0.786 355 A N -0.111 122.733 122.820 0.040 0.000 1.858 355 A HA -0.218 4.117 4.320 0.025 0.000 0.216 355 A C 2.435 180.033 177.584 0.023 0.000 1.190 355 A CA 1.629 53.677 52.037 0.019 0.000 0.617 355 A CB -1.246 17.756 19.000 0.003 0.000 0.827 355 A HN 0.004 nan 8.150 nan 0.000 0.443 356 R N -1.806 118.717 120.500 0.038 0.000 2.091 356 R HA -0.186 4.170 4.340 0.025 0.000 0.238 356 R C 1.987 178.332 176.300 0.075 0.000 1.136 356 R CA 1.951 58.075 56.100 0.040 0.000 0.959 356 R CB -0.461 29.864 30.300 0.041 0.000 0.856 356 R HN 0.515 nan 8.270 nan 0.000 0.437 357 F N 1.074 120.994 119.950 -0.050 0.000 2.075 357 F HA -0.145 4.396 4.527 0.024 0.000 0.297 357 F C 1.811 177.575 175.800 -0.059 0.000 1.113 357 F CA 1.532 59.499 58.000 -0.055 0.000 1.218 357 F CB -0.327 38.644 39.000 -0.049 0.000 0.984 357 F HN -0.020 nan 8.300 nan 0.000 0.472 358 L N -0.547 120.606 121.223 -0.116 0.000 2.313 358 L HA -0.002 4.353 4.340 0.025 0.000 0.214 358 L C 1.034 177.794 176.870 -0.183 0.000 1.119 358 L CA 0.106 54.807 54.840 -0.230 0.000 0.809 358 L CB -0.700 41.303 42.059 -0.093 0.000 0.933 358 L HN -0.119 nan 8.230 nan 0.000 0.449 359 S N 1.138 116.767 115.700 -0.117 0.000 2.629 359 S HA 0.045 4.530 4.470 0.025 0.000 0.302 359 S C -2.143 172.380 174.600 -0.127 0.000 1.244 359 S CA -0.791 57.350 58.200 -0.099 0.000 1.098 359 S CB 0.122 63.285 63.200 -0.062 0.000 0.858 359 S HN -0.023 nan 8.310 nan 0.000 0.502 360 P HA 0.148 nan 4.420 nan 0.000 0.266 360 P C -0.820 176.422 177.300 -0.097 0.000 1.215 360 P CA 0.065 63.091 63.100 -0.122 0.000 0.763 360 P CB 0.443 32.079 31.700 -0.107 0.000 0.806 361 T N 4.626 119.119 114.554 -0.102 0.000 2.985 361 T HA 0.297 4.663 4.350 0.025 0.000 0.315 361 T C -0.222 174.434 174.700 -0.073 0.000 1.001 361 T CA -0.601 61.453 62.100 -0.078 0.000 1.016 361 T CB 0.341 69.165 68.868 -0.072 0.000 0.993 361 T HN -0.005 nan 8.240 nan 0.000 0.454 362 L N 2.591 123.779 121.223 -0.059 0.000 2.439 362 L HA 0.403 4.758 4.340 0.025 0.000 0.269 362 L C 1.014 177.859 176.870 -0.042 0.000 1.179 362 L CA -0.132 54.679 54.840 -0.049 0.000 0.828 362 L CB 0.086 42.120 42.059 -0.041 0.000 1.106 362 L HN 0.513 nan 8.230 nan 0.000 0.467 363 R N 1.901 122.379 120.500 -0.037 0.000 2.442 363 R HA 0.405 4.760 4.340 0.025 0.000 0.291 363 R C 0.505 176.791 176.300 -0.023 0.000 1.069 363 R CA 0.400 56.482 56.100 -0.030 0.000 1.022 363 R CB 0.366 30.651 30.300 -0.025 0.000 0.976 363 R HN 0.891 nan 8.270 nan 0.000 0.443 364 A N 0.000 122.807 122.820 -0.022 0.000 2.254 364 A HA 0.000 4.335 4.320 0.025 0.000 0.244 364 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 364 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486