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 2igo_1_G DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.284 176.300 -0.027 0.000 1.140 43 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 43 M CB 0.000 32.386 32.600 -0.356 0.000 1.302 44 D N 3.149 123.573 120.400 0.040 0.000 2.362 44 D HA 0.261 4.901 4.640 0.000 0.000 0.242 44 D C 1.178 177.399 176.300 -0.131 0.000 1.132 44 D CA -0.047 53.863 54.000 -0.151 0.000 0.907 44 D CB 1.034 41.579 40.800 -0.424 0.000 1.195 44 D HN 0.635 nan 8.370 nan 0.000 0.429 45 I N -1.147 119.344 120.570 -0.132 0.000 3.578 45 I HA 0.180 4.350 4.170 0.000 0.000 0.295 45 I C 0.393 176.483 176.117 -0.045 0.000 1.280 45 I CA 0.206 61.474 61.300 -0.053 0.000 1.347 45 I CB -0.852 37.136 38.000 -0.021 0.000 1.051 45 I HN 0.042 nan 8.210 nan 0.000 0.460 46 K N 0.525 120.798 120.400 -0.211 0.000 2.426 46 K HA 0.560 4.880 4.320 0.000 0.000 0.254 46 K C -1.797 174.538 176.600 -0.441 0.000 0.936 46 K CA -0.477 55.701 56.287 -0.180 0.000 0.801 46 K CB 1.179 33.622 32.500 -0.095 0.000 1.139 46 K HN 0.060 nan 8.250 nan 0.000 0.424 47 Y N 1.276 121.562 120.300 -0.024 0.000 2.598 47 Y HA 0.269 4.819 4.550 0.000 0.000 0.340 47 Y C 0.762 176.638 175.900 -0.041 0.000 1.038 47 Y CA -0.716 57.363 58.100 -0.035 0.000 1.100 47 Y CB 1.656 40.092 38.460 -0.040 0.000 1.281 47 Y HN 0.649 nan 8.280 nan 0.000 0.488 48 D N 0.102 120.584 120.400 0.137 0.000 2.123 48 D HA 0.001 4.641 4.640 0.000 0.000 0.200 48 D C -0.306 175.997 176.300 0.005 0.000 0.976 48 D CA 1.463 55.531 54.000 0.113 0.000 0.831 48 D CB 0.203 41.143 40.800 0.234 0.000 0.974 48 D HN 0.113 nan 8.370 nan 0.000 0.469 49 V N 1.008 120.920 119.914 -0.004 0.000 2.638 49 V HA 0.366 4.486 4.120 0.000 0.000 0.306 49 V C -0.369 175.635 176.094 -0.150 0.000 1.052 49 V CA -1.024 61.183 62.300 -0.155 0.000 0.885 49 V CB 2.490 34.196 31.823 -0.194 0.000 0.999 49 V HN -0.011 nan 8.190 nan 0.000 0.424 50 V N 3.244 123.021 119.914 -0.229 0.000 2.495 50 V HA 0.756 4.876 4.120 0.000 0.000 0.298 50 V C -0.683 175.355 176.094 -0.093 0.000 1.031 50 V CA -0.579 61.644 62.300 -0.130 0.000 0.871 50 V CB 1.719 33.530 31.823 -0.020 0.000 0.988 50 V HN 0.686 nan 8.190 nan 0.000 0.432 51 I N 4.459 124.999 120.570 -0.051 0.000 2.418 51 I HA 0.464 4.634 4.170 0.000 0.000 0.287 51 I C -0.585 175.550 176.117 0.029 0.000 1.008 51 I CA -0.901 60.353 61.300 -0.077 0.000 1.104 51 I CB 2.276 40.215 38.000 -0.101 0.000 1.264 51 I HN 0.454 nan 8.210 nan 0.000 0.438 52 V N 5.756 125.675 119.914 0.009 0.000 2.334 52 V HA 0.784 4.904 4.120 0.000 0.000 0.267 52 V C 0.462 176.562 176.094 0.011 0.000 1.040 52 V CA -0.223 62.108 62.300 0.051 0.000 0.866 52 V CB 0.480 32.309 31.823 0.009 0.000 1.019 52 V HN 1.054 nan 8.190 nan 0.000 0.468 53 G N 3.877 112.700 108.800 0.038 0.000 2.885 53 G HA2 0.004 3.964 3.960 0.000 0.000 0.685 53 G HA3 0.004 3.964 3.960 0.000 0.000 0.685 53 G C -0.107 174.810 174.900 0.027 0.000 1.216 53 G CA -0.275 44.839 45.100 0.024 0.000 0.790 53 G HN 1.212 nan 8.290 nan 0.000 0.631 54 S N 0.917 116.638 115.700 0.035 0.000 2.562 54 S HA 0.615 5.085 4.470 0.000 0.000 0.246 54 S C 1.242 175.859 174.600 0.028 0.000 1.056 54 S CA 0.659 58.886 58.200 0.045 0.000 1.042 54 S CB 0.641 63.882 63.200 0.069 0.000 0.822 54 S HN 1.894 nan 8.310 nan 0.000 0.465 55 G N 2.670 111.477 108.800 0.011 0.000 2.611 55 G HA2 0.399 4.359 3.960 0.000 0.000 0.273 55 G HA3 0.399 4.359 3.960 0.000 0.000 0.273 55 G C -1.137 173.749 174.900 -0.023 0.000 1.305 55 G CA -1.360 43.732 45.100 -0.013 0.000 1.010 55 G HN 0.247 nan 8.290 nan 0.000 0.509 56 P HA -0.069 nan 4.420 nan 0.000 0.220 56 P C 1.693 178.944 177.300 -0.082 0.000 1.148 56 P CA 0.788 63.848 63.100 -0.068 0.000 0.803 56 P CB 0.200 31.879 31.700 -0.035 0.000 0.782 57 I N 0.178 120.733 120.570 -0.026 0.000 2.235 57 I HA -0.039 4.131 4.170 0.000 0.000 0.241 57 I C 2.759 178.932 176.117 0.093 0.000 1.085 57 I CA 1.585 62.901 61.300 0.028 0.000 1.378 57 I CB -2.325 35.716 38.000 0.069 0.000 1.076 57 I HN -0.001 nan 8.210 nan 0.000 0.415 58 G N 0.635 109.466 108.800 0.050 0.000 2.505 58 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 58 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 58 G C 1.783 176.676 174.900 -0.011 0.000 1.145 58 G CA 1.228 46.343 45.100 0.025 0.000 0.761 58 G HN 0.416 nan 8.290 nan 0.000 0.571 59 C N 0.384 119.657 119.300 -0.045 0.000 2.432 59 C HA 0.033 4.493 4.460 0.000 0.000 0.280 59 C C 3.189 178.052 174.990 -0.211 0.000 1.353 59 C CA 1.383 60.334 59.018 -0.112 0.000 1.766 59 C CB -1.008 26.721 27.740 -0.018 0.000 1.924 59 C HN 0.458 nan 8.230 nan 0.000 0.509 60 T N -0.284 114.173 114.554 -0.161 0.000 2.777 60 T HA -0.130 4.220 4.350 0.000 0.000 0.266 60 T C 1.458 176.006 174.700 -0.254 0.000 1.040 60 T CA 1.492 63.461 62.100 -0.219 0.000 1.141 60 T CB -0.354 68.410 68.868 -0.172 0.000 0.868 60 T HN 0.579 nan 8.240 nan 0.000 0.444 61 Y N 1.341 121.495 120.300 -0.243 0.000 2.224 61 Y HA -0.027 4.523 4.550 0.000 0.000 0.289 61 Y C 2.690 178.371 175.900 -0.366 0.000 1.146 61 Y CA 0.891 58.831 58.100 -0.268 0.000 1.182 61 Y CB -0.471 37.849 38.460 -0.233 0.000 0.983 61 Y HN 0.194 nan 8.280 nan 0.000 0.524 62 A N 0.170 122.796 122.820 -0.323 0.000 1.873 62 A HA -0.203 4.117 4.320 0.000 0.000 0.215 62 A C 2.267 179.285 177.584 -0.943 0.000 1.186 62 A CA 1.667 53.279 52.037 -0.708 0.000 0.616 62 A CB -0.710 17.610 19.000 -1.133 0.000 0.823 62 A HN 0.411 nan 8.150 nan 0.000 0.442 63 R N -0.263 119.742 120.500 -0.826 0.000 2.080 63 R HA -0.178 4.163 4.340 0.000 0.000 0.236 63 R C 2.036 178.126 176.300 -0.349 0.000 1.137 63 R CA 1.864 57.636 56.100 -0.547 0.000 0.943 63 R CB -0.299 29.717 30.300 -0.473 0.000 0.846 63 R HN 0.572 nan 8.270 nan 0.000 0.431 64 E N 0.472 120.491 120.200 -0.301 0.000 2.051 64 E HA -0.190 4.160 4.350 0.000 0.000 0.192 64 E C 2.165 178.694 176.600 -0.118 0.000 0.991 64 E CA 1.348 57.646 56.400 -0.170 0.000 0.799 64 E CB -0.125 29.469 29.700 -0.178 0.000 0.748 64 E HN 0.439 nan 8.360 nan 0.000 0.449 65 L N 0.317 121.438 121.223 -0.169 0.000 2.162 65 L HA -0.068 4.272 4.340 0.000 0.000 0.205 65 L C 2.574 179.489 176.870 0.074 0.000 1.086 65 L CA 0.358 55.146 54.840 -0.086 0.000 0.778 65 L CB -0.373 41.517 42.059 -0.283 0.000 0.928 65 L HN -0.062 nan 8.230 nan 0.000 0.446 66 V N 0.635 120.502 119.914 -0.078 0.000 2.427 66 V HA -0.178 3.942 4.120 0.000 0.000 0.248 66 V C 2.647 178.774 176.094 0.055 0.000 1.051 66 V CA 1.998 64.299 62.300 0.002 0.000 1.048 66 V CB -1.158 30.603 31.823 -0.103 0.000 0.666 66 V HN 0.560 nan 8.190 nan 0.000 0.456 67 G N -0.378 108.426 108.800 0.007 0.000 2.432 67 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 67 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 67 G C 1.459 176.394 174.900 0.059 0.000 1.135 67 G CA 0.874 45.994 45.100 0.033 0.000 0.767 67 G HN 0.637 nan 8.290 nan 0.000 0.550 68 A N -0.584 122.295 122.820 0.100 0.000 2.251 68 A HA 0.500 4.820 4.320 0.000 0.000 0.209 68 A C 1.883 179.492 177.584 0.042 0.000 1.187 68 A CA 1.168 53.273 52.037 0.112 0.000 0.823 68 A CB -0.341 18.791 19.000 0.219 0.000 0.846 68 A HN 1.562 nan 8.150 nan 0.000 0.486 69 G N -2.216 106.622 108.800 0.064 0.000 2.176 69 G HA2 -0.259 3.701 3.960 0.000 0.000 0.232 69 G HA3 -0.259 3.701 3.960 0.000 0.000 0.232 69 G C -0.038 174.819 174.900 -0.072 0.000 0.986 69 G CA 0.076 45.172 45.100 -0.007 0.000 0.643 69 G HN 0.390 nan 8.290 nan 0.000 0.522 70 Y N 0.668 120.978 120.300 0.018 0.000 2.336 70 Y HA 0.440 4.990 4.550 0.000 0.000 0.331 70 Y C 1.108 177.014 175.900 0.010 0.000 1.211 70 Y CA 0.033 58.139 58.100 0.010 0.000 1.346 70 Y CB 0.729 39.183 38.460 -0.010 0.000 1.271 70 Y HN 0.075 nan 8.280 nan 0.000 0.538 71 K N 2.806 123.294 120.400 0.148 0.000 2.310 71 K HA 0.400 4.720 4.320 0.000 0.000 0.290 71 K C -1.558 175.157 176.600 0.191 0.000 1.077 71 K CA -0.125 56.225 56.287 0.105 0.000 0.922 71 K CB 0.076 32.592 32.500 0.026 0.000 1.057 71 K HN 0.502 nan 8.250 nan 0.000 0.479 72 V N 3.367 123.380 119.914 0.165 0.000 2.495 72 V HA 0.574 4.694 4.120 0.000 0.000 0.298 72 V C -0.361 175.661 176.094 -0.121 0.000 1.031 72 V CA -0.866 61.483 62.300 0.081 0.000 0.871 72 V CB 1.464 33.367 31.823 0.134 0.000 0.988 72 V HN 0.903 nan 8.190 nan 0.000 0.432 73 A N 5.675 128.259 122.820 -0.394 0.000 2.355 73 A HA 0.949 5.269 4.320 0.000 0.000 0.324 73 A C -0.691 176.545 177.584 -0.579 0.000 1.117 73 A CA -0.649 50.923 52.037 -0.775 0.000 0.785 73 A CB 1.654 19.807 19.000 -1.411 0.000 1.254 73 A HN 0.871 nan 8.150 nan 0.000 0.453 74 M N 2.064 121.247 119.600 -0.696 0.000 2.326 74 M HA 0.685 5.165 4.480 0.000 0.000 0.306 74 M C -2.123 173.853 176.300 -0.539 0.000 1.054 74 M CA -0.397 54.681 55.300 -0.370 0.000 0.922 74 M CB 1.157 33.746 32.600 -0.018 0.000 1.632 74 M HN 0.617 nan 8.290 nan 0.000 0.436 75 F N 2.359 122.305 119.950 -0.008 0.000 2.480 75 F HA 0.561 5.088 4.527 0.000 0.000 0.329 75 F C -0.023 175.777 175.800 -0.000 0.000 1.091 75 F CA -0.438 57.575 58.000 0.021 0.000 0.972 75 F CB 1.364 40.352 39.000 -0.020 0.000 1.150 75 F HN 0.438 nan 8.300 nan 0.000 0.467 76 D N 2.817 123.317 120.400 0.166 0.000 2.934 76 D HA 0.206 4.846 4.640 0.000 0.000 0.230 76 D C 0.498 176.825 176.300 0.044 0.000 1.204 76 D CA -0.335 53.711 54.000 0.076 0.000 0.873 76 D CB 2.414 43.241 40.800 0.046 0.000 1.645 76 D HN 0.645 nan 8.370 nan 0.000 0.502 77 I N 2.004 122.553 120.570 -0.035 0.000 2.614 77 I HA 0.036 4.206 4.170 0.000 0.000 0.258 77 I C 1.098 177.172 176.117 -0.071 0.000 1.189 77 I CA 0.816 62.048 61.300 -0.114 0.000 1.462 77 I CB 0.150 37.968 38.000 -0.305 0.000 1.092 77 I HN 0.338 nan 8.210 nan 0.000 0.442 78 G N -0.071 108.708 108.800 -0.035 0.000 2.537 78 G HA2 0.401 4.361 3.960 0.000 0.000 0.297 78 G HA3 0.401 4.361 3.960 0.000 0.000 0.297 78 G C -0.889 174.028 174.900 0.029 0.000 1.310 78 G CA -0.419 44.684 45.100 0.006 0.000 1.027 78 G HN 0.300 nan 8.290 nan 0.000 0.505 79 E N -1.466 118.756 120.200 0.037 0.000 2.320 79 E HA 0.379 4.729 4.350 0.000 0.000 0.264 79 E C -0.552 176.070 176.600 0.038 0.000 0.923 79 E CA -0.743 55.681 56.400 0.039 0.000 0.796 79 E CB 2.564 32.290 29.700 0.043 0.000 1.262 79 E HN 0.261 nan 8.360 nan 0.000 0.428 80 I N 2.563 123.153 120.570 0.034 0.000 2.452 80 I HA 0.048 4.218 4.170 0.000 0.000 0.287 80 I C -0.333 175.809 176.117 0.043 0.000 1.079 80 I CA 0.437 61.759 61.300 0.036 0.000 1.387 80 I CB 0.140 38.156 38.000 0.027 0.000 1.404 80 I HN 0.477 nan 8.210 nan 0.000 0.522 81 D N 3.289 123.720 120.400 0.052 0.000 3.220 81 D HA 0.099 4.739 4.640 0.000 0.000 0.309 81 D C -0.290 176.060 176.300 0.084 0.000 1.276 81 D CA -0.375 53.663 54.000 0.062 0.000 0.736 81 D CB 0.419 41.253 40.800 0.058 0.000 1.304 81 D HN 0.235 nan 8.370 nan 0.000 0.582 82 S N -0.313 115.440 115.700 0.089 0.000 3.101 82 S HA 0.598 5.068 4.470 0.000 0.000 0.252 82 S C 0.648 175.317 174.600 0.114 0.000 0.920 82 S CA 0.058 58.329 58.200 0.117 0.000 1.158 82 S CB 0.598 63.865 63.200 0.111 0.000 1.125 82 S HN 0.948 nan 8.310 nan 0.000 0.608 83 G N 1.560 110.416 108.800 0.094 0.000 2.584 83 G HA2 -0.206 3.754 3.960 0.000 0.000 0.229 83 G HA3 -0.206 3.754 3.960 0.000 0.000 0.229 83 G C 0.314 175.250 174.900 0.060 0.000 1.320 83 G CA -0.188 44.960 45.100 0.081 0.000 0.891 83 G HN 0.265 nan 8.290 nan 0.000 0.573 84 L N 0.199 121.452 121.223 0.050 0.000 2.291 84 L HA 0.064 4.404 4.340 0.000 0.000 0.214 84 L C 1.522 178.407 176.870 0.025 0.000 1.120 84 L CA 1.302 56.160 54.840 0.031 0.000 0.799 84 L CB -0.577 41.495 42.059 0.022 0.000 0.925 84 L HN 0.399 nan 8.230 nan 0.000 0.446 85 K N 1.438 121.863 120.400 0.042 0.000 2.273 85 K HA 0.332 4.652 4.320 0.000 0.000 0.287 85 K C -0.199 176.426 176.600 0.042 0.000 1.089 85 K CA -0.280 56.029 56.287 0.036 0.000 0.909 85 K CB 0.982 33.517 32.500 0.059 0.000 1.123 85 K HN 0.063 nan 8.250 nan 0.000 0.473 86 I N 1.983 122.562 120.570 0.015 0.000 2.598 86 I HA -0.054 4.116 4.170 0.000 0.000 0.284 86 I C 1.338 177.477 176.117 0.037 0.000 1.140 86 I CA 0.705 62.020 61.300 0.024 0.000 1.420 86 I CB 0.423 38.428 38.000 0.008 0.000 1.387 86 I HN 0.952 nan 8.210 nan 0.000 0.553 87 G N 4.393 113.226 108.800 0.056 0.000 2.179 87 G HA2 -0.207 3.753 3.960 0.000 0.000 0.257 87 G HA3 -0.207 3.753 3.960 0.000 0.000 0.257 87 G C 0.305 175.260 174.900 0.093 0.000 1.010 87 G CA 0.136 45.275 45.100 0.064 0.000 0.736 87 G HN 0.964 nan 8.290 nan 0.000 0.513 88 A N -0.523 122.367 122.820 0.116 0.000 2.272 88 A HA 0.643 4.963 4.320 0.000 0.000 0.275 88 A C 0.560 178.278 177.584 0.223 0.000 1.096 88 A CA -0.380 51.763 52.037 0.177 0.000 0.822 88 A CB 0.336 19.440 19.000 0.174 0.000 1.088 88 A HN 0.595 nan 8.150 nan 0.000 0.495 89 H N 0.486 119.695 119.070 0.233 0.000 2.848 89 H HA 0.106 4.662 4.556 0.000 0.000 0.317 89 H C 0.688 176.144 175.328 0.213 0.000 1.046 89 H CA 0.667 56.867 56.048 0.252 0.000 1.470 89 H CB 0.827 30.754 29.762 0.275 0.000 1.483 89 H HN 0.668 nan 8.280 nan 0.000 0.548 90 K N 3.456 124.062 120.400 0.344 0.000 2.362 90 K HA -0.074 4.246 4.320 0.000 0.000 0.200 90 K C 1.687 178.536 176.600 0.415 0.000 1.046 90 K CA 0.493 57.036 56.287 0.426 0.000 0.952 90 K CB 0.373 33.144 32.500 0.453 0.000 0.753 90 K HN 0.453 nan 8.250 nan 0.000 0.466 91 K N 0.905 121.384 120.400 0.131 0.000 2.504 91 K HA -0.017 4.304 4.320 0.000 0.000 0.195 91 K C 0.444 177.043 176.600 -0.002 0.000 1.036 91 K CA 0.458 56.497 56.287 -0.414 0.000 0.984 91 K CB 0.135 32.037 32.500 -0.996 0.000 0.788 91 K HN 0.085 nan 8.250 nan 0.000 0.488 92 N N 1.713 120.515 118.700 0.169 0.000 2.410 92 N HA -0.032 4.708 4.740 0.000 0.000 0.231 92 N C -0.349 175.389 175.510 0.381 0.000 1.172 92 N CA 0.292 53.450 53.050 0.181 0.000 0.849 92 N CB 0.391 39.048 38.487 0.285 0.000 1.116 92 N HN 0.205 nan 8.380 nan 0.000 0.485 93 T N -3.933 110.825 114.554 0.340 0.000 2.929 93 T HA 0.306 4.656 4.350 0.000 0.000 0.284 93 T C 1.694 176.602 174.700 0.345 0.000 1.014 93 T CA -0.787 61.507 62.100 0.324 0.000 1.051 93 T CB 1.695 70.699 68.868 0.227 0.000 1.028 93 T HN -0.187 nan 8.240 nan 0.000 0.485 94 V N 1.384 121.484 119.914 0.310 0.000 2.324 94 V HA -0.168 3.952 4.120 0.000 0.000 0.250 94 V C 2.906 179.078 176.094 0.130 0.000 1.060 94 V CA 1.916 64.369 62.300 0.255 0.000 1.042 94 V CB -0.865 31.033 31.823 0.124 0.000 0.650 94 V HN 0.884 nan 8.190 nan 0.000 0.450 95 E N -0.560 119.654 120.200 0.023 0.000 2.085 95 E HA -0.208 4.143 4.350 0.000 0.000 0.194 95 E C 2.123 178.654 176.600 -0.116 0.000 0.994 95 E CA 1.680 58.016 56.400 -0.107 0.000 0.801 95 E CB -0.288 29.249 29.700 -0.273 0.000 0.743 95 E HN 0.762 nan 8.360 nan 0.000 0.453 96 Y N 0.970 121.343 120.300 0.122 0.000 2.395 96 Y HA -0.019 4.531 4.550 0.000 0.000 0.293 96 Y C 2.399 178.326 175.900 0.044 0.000 1.123 96 Y CA 0.624 58.783 58.100 0.099 0.000 1.227 96 Y CB -0.060 38.457 38.460 0.096 0.000 1.012 96 Y HN 0.042 nan 8.280 nan 0.000 0.552 97 Q N 0.270 120.167 119.800 0.161 0.000 2.230 97 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 97 Q C 1.650 177.716 176.000 0.109 0.000 0.963 97 Q CA 1.070 56.923 55.803 0.083 0.000 0.866 97 Q CB -0.104 28.633 28.738 -0.002 0.000 0.931 97 Q HN 0.494 nan 8.270 nan 0.000 0.452 98 K N 0.355 120.822 120.400 0.112 0.000 2.314 98 K HA 0.061 4.381 4.320 0.000 0.000 0.198 98 K C 0.437 177.091 176.600 0.090 0.000 1.045 98 K CA 0.348 56.688 56.287 0.087 0.000 0.988 98 K CB 0.416 32.955 32.500 0.064 0.000 0.783 98 K HN 0.108 nan 8.250 nan 0.000 0.484 99 N N 1.324 120.099 118.700 0.125 0.000 2.765 99 N HA 0.073 4.813 4.740 0.000 0.000 0.277 99 N C 0.253 175.912 175.510 0.247 0.000 1.750 99 N CA 0.030 53.171 53.050 0.152 0.000 0.827 99 N CB 1.088 39.648 38.487 0.121 0.000 1.200 99 N HN 0.046 nan 8.380 nan 0.000 0.494 100 I N 0.632 121.324 120.570 0.203 0.000 2.226 100 I HA -0.234 3.936 4.170 0.000 0.000 0.245 100 I C 0.896 177.148 176.117 0.226 0.000 1.100 100 I CA 1.677 63.100 61.300 0.205 0.000 1.374 100 I CB 0.299 38.374 38.000 0.126 0.000 1.057 100 I HN 0.155 nan 8.210 nan 0.000 0.413 101 D N 1.011 121.538 120.400 0.213 0.000 2.309 101 D HA -0.158 4.482 4.640 0.000 0.000 0.212 101 D C 1.929 178.333 176.300 0.174 0.000 0.968 101 D CA 0.638 54.760 54.000 0.204 0.000 0.882 101 D CB -0.117 40.836 40.800 0.255 0.000 0.918 101 D HN 0.306 nan 8.370 nan 0.000 0.503 102 K N 0.145 120.687 120.400 0.237 0.000 2.283 102 K HA -0.077 4.243 4.320 0.000 0.000 0.202 102 K C 1.736 178.445 176.600 0.181 0.000 1.048 102 K CA -0.002 56.433 56.287 0.246 0.000 0.948 102 K CB -0.472 32.242 32.500 0.356 0.000 0.742 102 K HN 0.213 nan 8.250 nan 0.000 0.458 103 F N 1.589 121.506 119.950 -0.054 0.000 2.269 103 F HA -0.187 4.340 4.527 0.000 0.000 0.301 103 F C 1.824 177.495 175.800 -0.214 0.000 1.082 103 F CA 0.638 58.416 58.000 -0.369 0.000 1.360 103 F CB -0.123 38.630 39.000 -0.412 0.000 1.041 103 F HN -0.282 nan 8.300 nan 0.000 0.512 104 V N 0.472 120.291 119.914 -0.159 0.000 2.380 104 V HA -0.388 3.732 4.120 0.000 0.000 0.251 104 V C 1.847 177.768 176.094 -0.287 0.000 1.063 104 V CA 2.394 64.557 62.300 -0.228 0.000 1.055 104 V CB -1.148 30.562 31.823 -0.190 0.000 0.657 104 V HN 0.388 nan 8.190 nan 0.000 0.455 105 N N -0.033 118.529 118.700 -0.231 0.000 2.166 105 N HA -0.129 4.611 4.740 0.000 0.000 0.186 105 N C 1.646 176.997 175.510 -0.265 0.000 1.019 105 N CA 1.278 54.216 53.050 -0.186 0.000 0.856 105 N CB -0.284 38.156 38.487 -0.079 0.000 0.993 105 N HN 0.347 nan 8.380 nan 0.000 0.426 106 V N 1.157 120.789 119.914 -0.470 0.000 2.358 106 V HA -0.172 3.948 4.120 0.000 0.000 0.246 106 V C 2.016 177.803 176.094 -0.511 0.000 1.047 106 V CA 1.337 63.310 62.300 -0.545 0.000 1.035 106 V CB -0.476 30.766 31.823 -0.967 0.000 0.658 106 V HN 0.292 nan 8.190 nan 0.000 0.452 107 I N -0.213 119.981 120.570 -0.628 0.000 2.163 107 I HA -0.332 3.838 4.170 0.000 0.000 0.243 107 I C 2.662 178.652 176.117 -0.211 0.000 1.085 107 I CA 1.786 62.873 61.300 -0.355 0.000 1.347 107 I CB -0.435 37.400 38.000 -0.275 0.000 1.044 107 I HN 0.345 nan 8.210 nan 0.000 0.408 108 Q N 0.329 120.006 119.800 -0.205 0.000 2.167 108 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 108 Q C 2.274 178.209 176.000 -0.108 0.000 0.970 108 Q CA 1.303 57.022 55.803 -0.140 0.000 0.855 108 Q CB -0.305 28.349 28.738 -0.141 0.000 0.911 108 Q HN 0.641 nan 8.270 nan 0.000 0.438 109 G N 1.155 109.882 108.800 -0.120 0.000 2.598 109 G HA2 -0.215 3.745 3.960 0.000 0.000 0.215 109 G HA3 -0.215 3.745 3.960 0.000 0.000 0.215 109 G C 1.074 175.942 174.900 -0.053 0.000 1.131 109 G CA 0.517 45.570 45.100 -0.078 0.000 0.785 109 G HN 0.439 nan 8.290 nan 0.000 0.539 110 Q N -0.625 119.136 119.800 -0.064 0.000 2.149 110 Q HA 0.361 4.701 4.340 0.000 0.000 0.221 110 Q C -0.069 175.924 176.000 -0.011 0.000 0.807 110 Q CA -0.264 55.522 55.803 -0.028 0.000 1.000 110 Q CB 0.145 28.865 28.738 -0.029 0.000 1.157 110 Q HN 0.256 nan 8.270 nan 0.000 0.487 111 L N 2.115 123.324 121.223 -0.023 0.000 2.262 111 L HA 0.501 4.841 4.340 0.000 0.000 0.288 111 L C -0.778 176.096 176.870 0.007 0.000 1.035 111 L CA -0.743 54.094 54.840 -0.005 0.000 0.820 111 L CB 1.190 43.235 42.059 -0.024 0.000 1.204 111 L HN 0.166 nan 8.230 nan 0.000 0.424 112 M N 2.188 121.810 119.600 0.037 0.000 2.180 112 M HA 0.278 4.758 4.480 0.000 0.000 0.350 112 M C 0.195 176.525 176.300 0.050 0.000 1.125 112 M CA 0.152 55.481 55.300 0.049 0.000 1.031 112 M CB 1.781 34.431 32.600 0.084 0.000 1.623 112 M HN 0.351 nan 8.290 nan 0.000 0.451 113 S N 1.667 117.386 115.700 0.032 0.000 2.562 113 S HA 0.137 4.607 4.470 0.000 0.000 0.281 113 S C 1.346 175.975 174.600 0.049 0.000 1.333 113 S CA -0.652 57.565 58.200 0.028 0.000 1.052 113 S CB 0.772 63.977 63.200 0.009 0.000 0.884 113 S HN 0.589 nan 8.310 nan 0.000 0.506 114 V N 2.279 122.235 119.914 0.070 0.000 2.346 114 V HA 0.043 4.163 4.120 0.000 0.000 0.244 114 V C 1.094 177.198 176.094 0.017 0.000 1.037 114 V CA 1.290 63.632 62.300 0.069 0.000 1.029 114 V CB 0.233 32.156 31.823 0.166 0.000 0.663 114 V HN 0.784 nan 8.190 nan 0.000 0.454 115 S N -0.550 115.181 115.700 0.052 0.000 2.720 115 S HA 0.536 5.006 4.470 0.000 0.000 0.278 115 S C -1.208 173.394 174.600 0.004 0.000 1.172 115 S CA -0.459 57.730 58.200 -0.017 0.000 1.019 115 S CB 1.530 64.684 63.200 -0.076 0.000 1.049 115 S HN -0.019 nan 8.310 nan 0.000 0.483 116 V N 7.745 127.646 119.914 -0.022 0.000 2.384 116 V HA 0.580 4.700 4.120 0.000 0.000 0.287 116 V C -1.932 174.141 176.094 -0.034 0.000 1.020 116 V CA -1.779 60.507 62.300 -0.023 0.000 0.850 116 V CB 1.610 33.418 31.823 -0.024 0.000 0.987 116 V HN 0.727 nan 8.190 nan 0.000 0.436 117 P HA 0.178 nan 4.420 nan 0.000 0.274 117 P C -0.220 177.053 177.300 -0.046 0.000 1.256 117 P CA -0.142 62.935 63.100 -0.038 0.000 0.795 117 P CB 0.947 32.626 31.700 -0.035 0.000 1.038 118 V N 2.079 121.969 119.914 -0.040 0.000 2.655 118 V HA 0.005 4.125 4.120 0.000 0.000 0.300 118 V C 1.214 177.258 176.094 -0.084 0.000 1.044 118 V CA 0.046 62.319 62.300 -0.046 0.000 1.095 118 V CB -0.392 31.426 31.823 -0.009 0.000 0.952 118 V HN 0.612 nan 8.190 nan 0.000 0.485 119 N N 3.326 121.966 118.700 -0.100 0.000 2.458 119 N HA 0.109 4.850 4.740 0.000 0.000 0.270 119 N C 0.531 175.873 175.510 -0.280 0.000 1.102 119 N CA 0.283 53.248 53.050 -0.142 0.000 0.967 119 N CB 1.575 40.005 38.487 -0.096 0.000 1.078 119 N HN 0.858 nan 8.380 nan 0.000 0.471 120 T N 0.956 115.230 114.554 -0.466 0.000 3.252 120 T HA 0.274 4.624 4.350 0.000 0.000 0.286 120 T C 0.820 175.017 174.700 -0.838 0.000 1.013 120 T CA -0.445 60.953 62.100 -1.170 0.000 0.914 120 T CB -0.431 67.893 68.868 -0.906 0.000 1.131 120 T HN 0.278 nan 8.240 nan 0.000 0.529 121 L N 1.969 122.982 121.223 -0.351 0.000 2.453 121 L HA 0.340 4.680 4.340 0.000 0.000 0.272 121 L C 0.073 176.961 176.870 0.030 0.000 1.182 121 L CA -0.638 54.123 54.840 -0.131 0.000 0.858 121 L CB 0.855 42.877 42.059 -0.062 0.000 1.120 121 L HN 0.089 nan 8.230 nan 0.000 0.474 122 V N 4.786 124.747 119.914 0.079 0.000 2.406 122 V HA 0.175 4.296 4.120 0.000 0.000 0.272 122 V C 0.177 176.336 176.094 0.109 0.000 1.043 122 V CA -0.473 61.935 62.300 0.179 0.000 0.915 122 V CB 1.573 33.492 31.823 0.160 0.000 0.988 122 V HN 0.395 nan 8.190 nan 0.000 0.466 123 V N 5.514 125.496 119.914 0.113 0.000 2.311 123 V HA 0.338 4.458 4.120 0.000 0.000 0.275 123 V C 0.226 176.353 176.094 0.055 0.000 1.022 123 V CA -0.401 61.941 62.300 0.071 0.000 0.830 123 V CB 1.397 33.263 31.823 0.071 0.000 1.012 123 V HN 1.080 nan 8.190 nan 0.000 0.452 124 D N 1.984 122.408 120.400 0.040 0.000 2.538 124 D HA 0.013 4.653 4.640 0.000 0.000 0.231 124 D C 1.112 177.422 176.300 0.018 0.000 1.229 124 D CA 0.201 54.215 54.000 0.025 0.000 0.828 124 D CB 0.370 41.183 40.800 0.022 0.000 1.035 124 D HN 0.546 nan 8.370 nan 0.000 0.495 125 T N -1.837 112.730 114.554 0.022 0.000 3.215 125 T HA 0.320 4.670 4.350 0.000 0.000 0.271 125 T C 0.713 175.426 174.700 0.021 0.000 1.012 125 T CA -0.557 61.553 62.100 0.018 0.000 0.899 125 T CB -0.339 68.540 68.868 0.018 0.000 1.089 125 T HN 0.024 nan 8.240 nan 0.000 0.552 126 L N 2.164 123.401 121.223 0.024 0.000 2.506 126 L HA 0.221 4.561 4.340 0.000 0.000 0.281 126 L C 1.167 178.049 176.870 0.019 0.000 1.228 126 L CA -0.391 54.465 54.840 0.027 0.000 0.850 126 L CB 0.217 42.296 42.059 0.033 0.000 1.110 126 L HN 0.252 nan 8.230 nan 0.000 0.496 127 S N 2.491 118.205 115.700 0.023 0.000 2.558 127 S HA 0.067 4.537 4.470 0.000 0.000 0.288 127 S C -1.398 173.209 174.600 0.012 0.000 1.318 127 S CA -0.980 57.231 58.200 0.018 0.000 1.056 127 S CB 0.749 63.963 63.200 0.024 0.000 0.853 127 S HN 0.411 nan 8.310 nan 0.000 0.505 128 P HA -0.052 nan 4.420 nan 0.000 0.221 128 P C 1.316 178.615 177.300 -0.002 0.000 1.145 128 P CA 1.184 64.280 63.100 -0.007 0.000 0.795 128 P CB -0.146 31.549 31.700 -0.008 0.000 0.775 129 T N -5.572 108.990 114.554 0.013 0.000 3.055 129 T HA 0.089 4.439 4.350 0.000 0.000 0.265 129 T C 1.013 175.742 174.700 0.048 0.000 1.111 129 T CA 0.119 62.234 62.100 0.025 0.000 1.118 129 T CB -0.541 68.344 68.868 0.029 0.000 0.909 129 T HN -0.108 nan 8.240 nan 0.000 0.501 130 S N 1.289 117.021 115.700 0.053 0.000 2.565 130 S HA 0.324 4.794 4.470 0.000 0.000 0.276 130 S C -0.596 174.081 174.600 0.128 0.000 1.326 130 S CA -1.031 57.229 58.200 0.100 0.000 1.045 130 S CB 0.242 63.497 63.200 0.091 0.000 0.918 130 S HN 0.611 nan 8.310 nan 0.000 0.505 131 W N 3.260 124.567 121.300 0.013 0.000 2.251 131 W HA 0.224 4.884 4.660 0.000 0.000 0.327 131 W C 0.170 176.703 176.519 0.023 0.000 1.361 131 W CA 0.219 57.570 57.345 0.010 0.000 1.234 131 W CB 0.218 29.683 29.460 0.008 0.000 1.212 131 W HN 0.536 nan 8.180 nan 0.000 0.557 132 Q N 5.047 124.486 119.800 -0.602 0.000 2.347 132 Q HA 0.622 4.962 4.340 0.000 0.000 0.271 132 Q C -1.036 174.441 176.000 -0.872 0.000 1.064 132 Q CA -0.876 54.672 55.803 -0.426 0.000 0.800 132 Q CB 1.892 30.485 28.738 -0.243 0.000 1.304 132 Q HN 0.609 nan 8.270 nan 0.000 0.438 133 A N 1.912 124.454 122.820 -0.464 0.000 2.302 133 A HA 0.441 4.761 4.320 0.000 0.000 0.285 133 A C 0.276 177.683 177.584 -0.296 0.000 1.105 133 A CA -0.339 51.477 52.037 -0.368 0.000 0.816 133 A CB 1.094 20.259 19.000 0.274 0.000 1.067 133 A HN 0.834 nan 8.150 nan 0.000 0.489 134 S N -0.376 115.176 115.700 -0.246 0.000 2.575 134 S HA 0.156 4.626 4.470 0.000 0.000 0.215 134 S C 0.657 175.144 174.600 -0.189 0.000 0.966 134 S CA 0.710 58.788 58.200 -0.204 0.000 0.911 134 S CB -0.209 62.892 63.200 -0.165 0.000 0.780 134 S HN 1.112 nan 8.310 nan 0.000 0.514 135 T N -1.457 113.014 114.554 -0.138 0.000 2.841 135 T HA 0.633 4.983 4.350 0.000 0.000 0.296 135 T C -1.060 173.572 174.700 -0.113 0.000 1.166 135 T CA -0.755 61.258 62.100 -0.145 0.000 1.007 135 T CB 0.676 69.566 68.868 0.035 0.000 1.253 135 T HN -0.092 nan 8.240 nan 0.000 0.511 136 F N 3.023 123.057 119.950 0.139 0.000 2.541 136 F HA 0.419 4.946 4.527 0.000 0.000 0.351 136 F C 0.422 176.270 175.800 0.080 0.000 1.209 136 F CA -1.803 56.237 58.000 0.066 0.000 1.277 136 F CB -0.831 38.177 39.000 0.013 0.000 1.632 136 F HN 0.566 nan 8.300 nan 0.000 0.619 137 F N -0.694 119.353 119.950 0.161 0.000 2.390 137 F HA 0.563 5.090 4.527 0.000 0.000 0.307 137 F C -0.004 175.865 175.800 0.115 0.000 1.227 137 F CA -1.709 56.364 58.000 0.121 0.000 1.179 137 F CB -0.255 38.807 39.000 0.104 0.000 1.280 137 F HN -0.154 nan 8.300 nan 0.000 0.548 138 V N 2.723 122.752 119.914 0.192 0.000 2.421 138 V HA 0.284 4.404 4.120 0.000 0.000 0.271 138 V C 0.146 176.236 176.094 -0.007 0.000 1.031 138 V CA 0.005 62.340 62.300 0.059 0.000 1.032 138 V CB -0.758 31.131 31.823 0.109 0.000 1.009 138 V HN 0.722 nan 8.190 nan 0.000 0.477 139 R N 3.688 124.089 120.500 -0.165 0.000 2.771 139 R HA 0.462 4.802 4.340 0.000 0.000 0.274 139 R C 0.072 176.316 176.300 -0.095 0.000 0.987 139 R CA -1.000 54.978 56.100 -0.204 0.000 0.908 139 R CB 1.347 31.387 30.300 -0.432 0.000 1.213 139 R HN 0.654 nan 8.270 nan 0.000 0.468 140 N N 0.515 119.186 118.700 -0.049 0.000 2.725 140 N HA -0.195 4.545 4.740 0.000 0.000 0.249 140 N C 0.475 175.969 175.510 -0.027 0.000 1.103 140 N CA 1.579 54.608 53.050 -0.035 0.000 0.707 140 N CB -1.160 37.300 38.487 -0.046 0.000 1.043 140 N HN 1.073 nan 8.380 nan 0.000 0.553 141 G N -1.663 107.127 108.800 -0.017 0.000 2.155 141 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 141 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 141 G C 0.300 175.191 174.900 -0.016 0.000 0.983 141 G CA 0.996 46.090 45.100 -0.011 0.000 0.676 141 G HN 1.354 nan 8.290 nan 0.000 0.528 142 S N -0.641 115.043 115.700 -0.026 0.000 2.584 142 S HA 0.468 4.938 4.470 0.000 0.000 0.270 142 S C 0.153 174.739 174.600 -0.023 0.000 1.346 142 S CA 0.101 58.282 58.200 -0.031 0.000 1.018 142 S CB 1.748 64.921 63.200 -0.045 0.000 0.899 142 S HN 0.694 nan 8.310 nan 0.000 0.542 143 N N 2.036 120.715 118.700 -0.035 0.000 2.501 143 N HA 0.375 5.115 4.740 0.000 0.000 0.245 143 N C -1.709 173.781 175.510 -0.033 0.000 0.974 143 N CA -2.548 50.474 53.050 -0.047 0.000 0.941 143 N CB 1.333 39.763 38.487 -0.094 0.000 1.122 143 N HN 0.366 nan 8.380 nan 0.000 0.507 144 P HA -0.058 nan 4.420 nan 0.000 0.226 144 P C 0.349 177.667 177.300 0.030 0.000 1.153 144 P CA 0.857 63.970 63.100 0.023 0.000 0.777 144 P CB 0.557 32.286 31.700 0.049 0.000 0.794 145 E N -0.133 120.070 120.200 0.005 0.000 2.338 145 E HA -0.114 4.236 4.350 0.000 0.000 0.197 145 E C 0.947 177.548 176.600 0.003 0.000 1.007 145 E CA 0.667 57.087 56.400 0.034 0.000 0.849 145 E CB -0.189 29.464 29.700 -0.080 0.000 0.774 145 E HN 0.321 nan 8.360 nan 0.000 0.506 146 Q N 2.154 121.921 119.800 -0.054 0.000 2.294 146 Q HA 0.039 4.379 4.340 0.000 0.000 0.257 146 Q C -0.838 175.163 176.000 0.002 0.000 0.955 146 Q CA -0.229 55.537 55.803 -0.062 0.000 0.936 146 Q CB 0.834 29.524 28.738 -0.079 0.000 1.188 146 Q HN -0.202 nan 8.270 nan 0.000 0.420 147 D N 5.980 126.401 120.400 0.036 0.000 2.358 147 D HA 0.057 4.697 4.640 0.000 0.000 0.258 147 D C -1.681 174.632 176.300 0.021 0.000 1.223 147 D CA -1.805 52.218 54.000 0.040 0.000 0.886 147 D CB 1.310 42.148 40.800 0.062 0.000 1.120 147 D HN 0.441 nan 8.370 nan 0.000 0.482 148 P HA -0.082 nan 4.420 nan 0.000 0.225 148 P C 1.214 178.514 177.300 -0.000 0.000 1.148 148 P CA 0.713 63.808 63.100 -0.007 0.000 0.779 148 P CB 0.289 31.973 31.700 -0.026 0.000 0.780 149 L N -1.307 119.921 121.223 0.008 0.000 2.607 149 L HA 0.191 4.531 4.340 0.000 0.000 0.228 149 L C 1.371 178.255 176.870 0.023 0.000 1.123 149 L CA 0.214 55.060 54.840 0.011 0.000 0.890 149 L CB -0.163 41.899 42.059 0.006 0.000 1.103 149 L HN -0.162 nan 8.230 nan 0.000 0.468 150 R N -0.031 120.492 120.500 0.038 0.000 2.734 150 R HA 0.226 4.567 4.340 0.000 0.000 0.395 150 R C -0.506 175.850 176.300 0.093 0.000 1.096 150 R CA -0.267 55.870 56.100 0.061 0.000 1.071 150 R CB 0.352 30.691 30.300 0.064 0.000 1.348 150 R HN 0.035 nan 8.270 nan 0.000 0.600 151 N N 0.585 119.314 118.700 0.049 0.000 2.432 151 N HA 0.386 5.126 4.740 0.000 0.000 0.292 151 N C -0.818 174.600 175.510 -0.153 0.000 1.193 151 N CA -0.685 52.376 53.050 0.019 0.000 0.878 151 N CB 1.360 39.854 38.487 0.012 0.000 1.252 151 N HN 0.090 nan 8.380 nan 0.000 0.520 152 L N 2.124 123.098 121.223 -0.416 0.000 2.407 152 L HA 0.224 4.564 4.340 0.000 0.000 0.261 152 L C 1.371 178.031 176.870 -0.350 0.000 1.108 152 L CA -0.285 54.168 54.840 -0.646 0.000 0.995 152 L CB 0.431 41.690 42.059 -1.334 0.000 1.349 152 L HN 0.647 nan 8.230 nan 0.000 0.423 153 S N -0.356 115.239 115.700 -0.174 0.000 2.447 153 S HA -0.098 4.372 4.470 0.000 0.000 0.233 153 S C 1.818 176.365 174.600 -0.088 0.000 1.006 153 S CA 0.832 58.980 58.200 -0.086 0.000 0.957 153 S CB -0.127 63.040 63.200 -0.054 0.000 0.773 153 S HN 0.638 nan 8.310 nan 0.000 0.507 154 G N 0.575 109.301 108.800 -0.122 0.000 2.572 154 G HA2 0.049 4.009 3.960 0.000 0.000 0.216 154 G HA3 0.049 4.009 3.960 0.000 0.000 0.216 154 G C 0.631 175.470 174.900 -0.101 0.000 1.133 154 G CA -0.207 44.832 45.100 -0.101 0.000 0.791 154 G HN 0.375 nan 8.290 nan 0.000 0.538 155 Q N 0.548 120.258 119.800 -0.149 0.000 2.330 155 Q HA 0.476 4.817 4.340 0.000 0.000 0.279 155 Q C -0.045 175.956 176.000 0.002 0.000 1.024 155 Q CA 0.375 56.122 55.803 -0.093 0.000 0.900 155 Q CB 1.321 29.967 28.738 -0.154 0.000 1.221 155 Q HN 0.302 nan 8.270 nan 0.000 0.396 156 A N 1.881 124.711 122.820 0.016 0.000 2.602 156 A HA 0.758 5.078 4.320 0.000 0.000 0.290 156 A C -1.049 176.560 177.584 0.041 0.000 1.114 156 A CA -0.484 51.571 52.037 0.030 0.000 0.683 156 A CB 1.345 20.351 19.000 0.010 0.000 1.281 156 A HN 0.489 nan 8.150 nan 0.000 0.416 157 V N -2.367 117.584 119.914 0.060 0.000 3.040 157 V HA 0.946 5.066 4.120 0.000 0.000 0.312 157 V C -0.432 175.718 176.094 0.092 0.000 1.115 157 V CA -0.538 61.812 62.300 0.083 0.000 0.998 157 V CB 1.496 33.395 31.823 0.126 0.000 1.042 157 V HN 0.932 nan 8.190 nan 0.000 0.433 158 T N 2.290 116.897 114.554 0.089 0.000 2.856 158 T HA 0.651 5.002 4.350 0.000 0.000 0.283 158 T C -0.379 174.360 174.700 0.065 0.000 1.008 158 T CA -0.573 61.567 62.100 0.066 0.000 0.997 158 T CB 1.410 70.302 68.868 0.041 0.000 0.992 158 T HN 0.774 nan 8.240 nan 0.000 0.454 159 R N 2.132 122.660 120.500 0.047 0.000 2.547 159 R HA 0.573 4.913 4.340 0.000 0.000 0.280 159 R C -1.001 175.312 176.300 0.022 0.000 1.630 159 R CA -0.520 55.589 56.100 0.015 0.000 1.470 159 R CB 0.959 31.249 30.300 -0.016 0.000 1.178 159 R HN 0.526 nan 8.270 nan 0.000 0.591 160 V N -2.086 117.842 119.914 0.022 0.000 3.178 160 V HA 0.468 4.588 4.120 0.000 0.000 0.302 160 V C -0.038 176.072 176.094 0.027 0.000 1.262 160 V CA -1.129 61.188 62.300 0.028 0.000 1.030 160 V CB 2.003 33.845 31.823 0.032 0.000 1.074 160 V HN 0.086 nan 8.190 nan 0.000 0.438 161 V N 3.058 122.992 119.914 0.033 0.000 2.540 161 V HA 0.493 4.613 4.120 0.000 0.000 0.297 161 V C 1.699 177.815 176.094 0.037 0.000 1.024 161 V CA 1.983 64.305 62.300 0.037 0.000 1.105 161 V CB 0.030 31.877 31.823 0.041 0.000 0.938 161 V HN 2.095 nan 8.190 nan 0.000 0.482 162 G N 3.237 112.057 108.800 0.033 0.000 2.195 162 G HA2 0.036 3.996 3.960 0.000 0.000 0.224 162 G HA3 0.036 3.996 3.960 0.000 0.000 0.224 162 G C 0.964 175.860 174.900 -0.007 0.000 0.990 162 G CA 0.219 45.333 45.100 0.022 0.000 0.639 162 G HN 2.139 nan 8.290 nan 0.000 0.514 163 G N -0.030 108.772 108.800 0.003 0.000 2.574 163 G HA2 -0.248 3.712 3.960 0.000 0.000 0.282 163 G HA3 -0.248 3.712 3.960 0.000 0.000 0.282 163 G C 1.143 176.032 174.900 -0.019 0.000 1.257 163 G CA 1.087 46.185 45.100 -0.003 0.000 0.956 163 G HN 1.061 nan 8.290 nan 0.000 0.560 164 M N 1.332 120.915 119.600 -0.028 0.000 2.460 164 M HA -0.019 4.461 4.480 0.000 0.000 0.263 164 M C 2.738 178.992 176.300 -0.077 0.000 1.071 164 M CA 1.829 57.120 55.300 -0.016 0.000 1.096 164 M CB -0.219 32.394 32.600 0.021 0.000 1.408 164 M HN 0.774 nan 8.290 nan 0.000 0.463 165 S N -0.366 115.194 115.700 -0.233 0.000 2.603 165 S HA -0.067 4.403 4.470 0.000 0.000 0.229 165 S C 1.612 176.139 174.600 -0.122 0.000 0.972 165 S CA 1.178 59.087 58.200 -0.484 0.000 0.935 165 S CB -0.903 61.966 63.200 -0.553 0.000 0.769 165 S HN 0.571 nan 8.310 nan 0.000 0.536 166 T N -2.506 111.997 114.554 -0.086 0.000 3.118 166 T HA 0.499 4.849 4.350 0.000 0.000 0.260 166 T C 1.199 175.735 174.700 -0.272 0.000 1.139 166 T CA 0.507 62.542 62.100 -0.109 0.000 1.085 166 T CB 0.023 68.890 68.868 -0.003 0.000 0.934 166 T HN 0.608 nan 8.240 nan 0.000 0.518 167 A N -0.027 122.715 122.820 -0.131 0.000 2.701 167 A HA 0.417 4.738 4.320 0.000 0.000 0.241 167 A C 0.544 178.335 177.584 0.345 0.000 1.231 167 A CA -0.743 51.376 52.037 0.136 0.000 1.003 167 A CB -0.077 18.975 19.000 0.087 0.000 1.281 167 A HN 0.599 nan 8.150 nan 0.000 0.600 168 W N 0.130 121.445 121.300 0.025 0.000 2.049 168 W HA 0.444 5.104 4.660 0.000 0.000 0.356 168 W C 0.072 176.680 176.519 0.149 0.000 1.323 168 W CA 0.684 58.100 57.345 0.119 0.000 1.336 168 W CB -0.822 28.691 29.460 0.088 0.000 1.176 168 W HN -0.049 nan 8.180 nan 0.000 0.623 169 T N 0.787 115.321 114.554 -0.033 0.000 3.088 169 T HA -0.006 4.344 4.350 0.000 0.000 0.259 169 T C 1.027 175.306 174.700 -0.701 0.000 1.122 169 T CA 1.088 62.988 62.100 -0.332 0.000 1.095 169 T CB -0.575 68.252 68.868 -0.067 0.000 0.930 169 T HN 0.653 nan 8.240 nan 0.000 0.508 170 C N 1.065 119.567 119.300 -1.330 0.000 4.465 170 C HA -0.113 4.347 4.460 0.000 0.000 0.274 170 C C 1.146 175.645 174.990 -0.818 0.000 1.337 170 C CA -0.730 57.242 59.018 -1.744 0.000 1.822 170 C CB -2.801 24.405 27.740 -0.890 0.000 1.357 170 C HN 0.768 nan 8.230 nan 0.000 0.753 171 A N 0.978 123.520 122.820 -0.463 0.000 2.362 171 A HA 0.592 4.912 4.320 0.000 0.000 0.276 171 A C 0.739 178.224 177.584 -0.164 0.000 1.153 171 A CA 1.020 52.932 52.037 -0.209 0.000 0.813 171 A CB 0.244 19.188 19.000 -0.092 0.000 1.081 171 A HN 1.372 nan 8.150 nan 0.000 0.507 172 T N 1.383 115.865 114.554 -0.120 0.000 3.418 172 T HA 0.502 4.852 4.350 0.000 0.000 0.315 172 T C -2.824 171.829 174.700 -0.079 0.000 1.447 172 T CA -1.360 60.709 62.100 -0.051 0.000 1.641 172 T CB 0.587 69.461 68.868 0.010 0.000 0.904 172 T HN 0.448 nan 8.240 nan 0.000 0.640 173 P HA 0.377 nan 4.420 nan 0.000 0.277 173 P C -0.143 177.021 177.300 -0.226 0.000 1.240 173 P CA -0.616 62.382 63.100 -0.170 0.000 0.798 173 P CB 1.089 32.648 31.700 -0.234 0.000 0.979 174 R N 0.863 121.144 120.500 -0.365 0.000 2.582 174 R HA 0.368 4.708 4.340 0.000 0.000 0.271 174 R C 0.113 176.306 176.300 -0.179 0.000 1.078 174 R CA -0.420 55.270 56.100 -0.684 0.000 1.127 174 R CB 0.135 29.894 30.300 -0.901 0.000 1.038 174 R HN 0.373 nan 8.270 nan 0.000 0.500 175 F N 1.953 121.693 119.950 -0.350 0.000 2.399 175 F HA 0.038 4.565 4.527 0.000 0.000 0.342 175 F C 1.069 176.693 175.800 -0.294 0.000 1.106 175 F CA -1.398 56.414 58.000 -0.314 0.000 1.196 175 F CB 0.218 39.023 39.000 -0.324 0.000 1.163 175 F HN 0.548 nan 8.300 nan 0.000 0.547 176 D N 2.304 122.634 120.400 -0.116 0.000 2.433 176 D HA 0.150 4.790 4.640 0.000 0.000 0.255 176 D C 0.944 177.167 176.300 -0.128 0.000 1.226 176 D CA -0.447 53.490 54.000 -0.105 0.000 1.015 176 D CB 0.513 41.268 40.800 -0.075 0.000 1.091 176 D HN 0.452 nan 8.370 nan 0.000 0.527 177 R N -0.546 119.903 120.500 -0.085 0.000 2.096 177 R HA -0.123 4.217 4.340 0.000 0.000 0.235 177 R C 2.060 178.308 176.300 -0.087 0.000 1.127 177 R CA 1.334 57.386 56.100 -0.080 0.000 0.968 177 R CB -0.264 30.023 30.300 -0.022 0.000 0.861 177 R HN 0.628 nan 8.270 nan 0.000 0.440 178 E N 0.686 120.833 120.200 -0.088 0.000 2.267 178 E HA -0.222 4.128 4.350 0.000 0.000 0.197 178 E C 1.357 177.849 176.600 -0.179 0.000 0.998 178 E CA 1.120 57.472 56.400 -0.081 0.000 0.830 178 E CB 0.219 29.924 29.700 0.007 0.000 0.751 178 E HN 0.427 nan 8.360 nan 0.000 0.491 179 Q N -0.753 118.861 119.800 -0.310 0.000 2.281 179 Q HA 0.142 4.482 4.340 0.000 0.000 0.215 179 Q C 0.257 176.170 176.000 -0.146 0.000 0.867 179 Q CA -0.186 55.371 55.803 -0.411 0.000 0.940 179 Q CB 0.857 29.068 28.738 -0.879 0.000 1.111 179 Q HN -0.073 nan 8.270 nan 0.000 0.513 180 R N 2.180 122.628 120.500 -0.087 0.000 2.460 180 R HA 0.312 4.652 4.340 0.000 0.000 0.303 180 R C -2.532 173.730 176.300 -0.063 0.000 0.968 180 R CA -2.070 53.963 56.100 -0.111 0.000 0.889 180 R CB 1.017 31.062 30.300 -0.424 0.000 1.123 180 R HN -0.122 nan 8.270 nan 0.000 0.455 181 P HA 0.025 nan 4.420 nan 0.000 0.271 181 P C -0.492 176.964 177.300 0.261 0.000 1.216 181 P CA -0.060 63.122 63.100 0.136 0.000 0.776 181 P CB 0.695 32.494 31.700 0.164 0.000 0.881 182 L N 3.216 124.567 121.223 0.213 0.000 2.499 182 L HA 0.039 4.380 4.340 0.000 0.000 0.273 182 L C 1.770 178.795 176.870 0.259 0.000 1.195 182 L CA 0.075 55.109 54.840 0.324 0.000 0.882 182 L CB -0.006 42.300 42.059 0.411 0.000 1.133 182 L HN 0.388 nan 8.230 nan 0.000 0.483 183 L N 3.935 125.363 121.223 0.341 0.000 2.575 183 L HA 0.212 4.552 4.340 0.000 0.000 0.228 183 L C -0.193 176.861 176.870 0.307 0.000 1.075 183 L CA 0.178 55.102 54.840 0.141 0.000 0.867 183 L CB 0.719 42.652 42.059 -0.210 0.000 1.097 183 L HN 0.327 nan 8.230 nan 0.000 0.485 184 V N 0.881 120.996 119.914 0.335 0.000 2.524 184 V HA 0.197 4.317 4.120 0.000 0.000 0.297 184 V C -0.220 175.969 176.094 0.159 0.000 1.035 184 V CA -0.953 61.469 62.300 0.205 0.000 0.867 184 V CB 2.020 33.906 31.823 0.105 0.000 1.004 184 V HN 0.085 nan 8.190 nan 0.000 0.426 185 K N 3.889 124.257 120.400 -0.054 0.000 2.298 185 K HA 0.176 4.496 4.320 0.000 0.000 0.280 185 K C 0.363 176.914 176.600 -0.082 0.000 1.032 185 K CA 0.069 56.236 56.287 -0.200 0.000 0.958 185 K CB 0.419 32.508 32.500 -0.685 0.000 0.978 185 K HN 0.778 nan 8.250 nan 0.000 0.472 186 D N 1.455 121.835 120.400 -0.033 0.000 3.070 186 D HA -0.205 4.435 4.640 0.000 0.000 0.220 186 D C -0.801 175.505 176.300 0.009 0.000 1.176 186 D CA 1.410 55.403 54.000 -0.011 0.000 0.924 186 D CB -0.436 40.344 40.800 -0.033 0.000 1.124 186 D HN 0.693 nan 8.370 nan 0.000 0.411 187 D N -0.897 119.519 120.400 0.028 0.000 2.364 187 D HA 0.497 5.137 4.640 0.000 0.000 0.251 187 D C 0.967 177.303 176.300 0.061 0.000 1.282 187 D CA 0.167 54.188 54.000 0.036 0.000 0.927 187 D CB 0.736 41.553 40.800 0.027 0.000 1.267 187 D HN -0.015 nan 8.370 nan 0.000 0.531 188 A N 2.818 125.675 122.820 0.061 0.000 1.908 188 A HA -0.187 4.133 4.320 0.000 0.000 0.218 188 A C 1.642 179.275 177.584 0.082 0.000 1.181 188 A CA 1.465 53.548 52.037 0.077 0.000 0.627 188 A CB -0.043 18.994 19.000 0.061 0.000 0.818 188 A HN 0.484 nan 8.150 nan 0.000 0.445 189 D N -0.361 120.077 120.400 0.063 0.000 2.194 189 D HA 0.076 4.716 4.640 0.000 0.000 0.204 189 D C 2.229 178.569 176.300 0.067 0.000 0.964 189 D CA 1.233 55.270 54.000 0.062 0.000 0.846 189 D CB -0.339 40.488 40.800 0.045 0.000 0.962 189 D HN 0.425 nan 8.370 nan 0.000 0.490 190 A N 1.039 123.895 122.820 0.060 0.000 1.898 190 A HA -0.210 4.110 4.320 0.000 0.000 0.216 190 A C 1.967 179.598 177.584 0.077 0.000 1.181 190 A CA 1.979 54.049 52.037 0.055 0.000 0.620 190 A CB -0.640 18.384 19.000 0.041 0.000 0.819 190 A HN 0.181 nan 8.150 nan 0.000 0.442 191 D N -0.229 120.240 120.400 0.115 0.000 2.104 191 D HA -0.183 4.457 4.640 0.000 0.000 0.194 191 D C 1.240 177.705 176.300 0.275 0.000 0.994 191 D CA 1.677 55.793 54.000 0.192 0.000 0.830 191 D CB -0.135 40.808 40.800 0.237 0.000 0.959 191 D HN 0.367 nan 8.370 nan 0.000 0.452 192 D N -0.205 120.326 120.400 0.218 0.000 2.123 192 D HA -0.142 4.498 4.640 0.000 0.000 0.196 192 D C 1.991 178.406 176.300 0.193 0.000 0.992 192 D CA 1.488 55.620 54.000 0.219 0.000 0.833 192 D CB -0.584 40.298 40.800 0.136 0.000 0.954 192 D HN 0.355 nan 8.370 nan 0.000 0.455 193 A N 0.535 123.427 122.820 0.119 0.000 1.898 193 A HA -0.173 4.147 4.320 0.000 0.000 0.216 193 A C 2.141 179.755 177.584 0.049 0.000 1.181 193 A CA 1.769 53.852 52.037 0.076 0.000 0.620 193 A CB -0.492 18.535 19.000 0.045 0.000 0.819 193 A HN 0.162 nan 8.150 nan 0.000 0.442 194 E N -0.785 119.422 120.200 0.012 0.000 2.051 194 E HA -0.199 4.151 4.350 0.000 0.000 0.192 194 E C 1.668 178.170 176.600 -0.163 0.000 0.991 194 E CA 1.559 57.893 56.400 -0.109 0.000 0.799 194 E CB -0.449 29.137 29.700 -0.191 0.000 0.748 194 E HN 0.724 nan 8.360 nan 0.000 0.449 195 W N 0.676 121.946 121.300 -0.049 0.000 2.363 195 W HA -0.098 4.562 4.660 0.000 0.000 0.296 195 W C 2.139 178.663 176.519 0.009 0.000 1.212 195 W CA 1.240 58.523 57.345 -0.103 0.000 1.260 195 W CB -0.350 29.098 29.460 -0.021 0.000 1.131 195 W HN 0.250 nan 8.180 nan 0.000 0.530 196 D N 0.021 120.594 120.400 0.288 0.000 2.097 196 D HA -0.227 4.413 4.640 0.000 0.000 0.195 196 D C 2.180 178.555 176.300 0.125 0.000 0.989 196 D CA 1.585 55.718 54.000 0.222 0.000 0.827 196 D CB -0.185 40.704 40.800 0.148 0.000 0.966 196 D HN -0.039 nan 8.370 nan 0.000 0.456 197 R N -0.226 120.298 120.500 0.040 0.000 2.073 197 R HA -0.097 4.243 4.340 0.000 0.000 0.234 197 R C 2.423 178.681 176.300 -0.069 0.000 1.134 197 R CA 1.131 57.217 56.100 -0.022 0.000 0.952 197 R CB -0.321 29.945 30.300 -0.057 0.000 0.850 197 R HN 0.273 nan 8.270 nan 0.000 0.433 198 L N -0.480 120.665 121.223 -0.131 0.000 2.017 198 L HA -0.196 4.145 4.340 0.000 0.000 0.208 198 L C 2.384 179.184 176.870 -0.118 0.000 1.073 198 L CA 1.264 55.970 54.840 -0.223 0.000 0.745 198 L CB -0.637 41.166 42.059 -0.426 0.000 0.894 198 L HN 0.210 nan 8.230 nan 0.000 0.432 199 Y N 0.341 120.641 120.300 0.000 0.000 2.224 199 Y HA -0.224 4.326 4.550 0.000 0.000 0.289 199 Y C 2.876 178.756 175.900 -0.033 0.000 1.146 199 Y CA 1.471 59.581 58.100 0.016 0.000 1.182 199 Y CB -1.071 37.432 38.460 0.072 0.000 0.983 199 Y HN 0.140 nan 8.280 nan 0.000 0.524 200 T N -0.415 114.215 114.554 0.128 0.000 2.746 200 T HA -0.207 4.144 4.350 0.000 0.000 0.267 200 T C 1.992 176.656 174.700 -0.060 0.000 1.039 200 T CA 1.714 63.836 62.100 0.036 0.000 1.142 200 T CB -0.159 68.722 68.868 0.022 0.000 0.866 200 T HN 0.210 nan 8.240 nan 0.000 0.444 201 K N 0.831 121.137 120.400 -0.156 0.000 2.057 201 K HA 0.041 4.361 4.320 0.000 0.000 0.206 201 K C 2.470 178.723 176.600 -0.578 0.000 1.050 201 K CA 1.075 57.135 56.287 -0.378 0.000 0.935 201 K CB -0.277 31.958 32.500 -0.442 0.000 0.715 201 K HN 0.259 nan 8.250 nan 0.000 0.439 202 A N 1.207 123.812 122.820 -0.359 0.000 1.933 202 A HA -0.193 4.127 4.320 0.000 0.000 0.218 202 A C 1.783 179.377 177.584 0.017 0.000 1.175 202 A CA 1.678 53.575 52.037 -0.234 0.000 0.628 202 A CB -0.457 18.519 19.000 -0.040 0.000 0.814 202 A HN 0.457 nan 8.150 nan 0.000 0.444 203 E N 0.296 120.543 120.200 0.080 0.000 2.085 203 E HA -0.182 4.168 4.350 0.000 0.000 0.194 203 E C 2.361 179.042 176.600 0.135 0.000 0.994 203 E CA 1.615 58.104 56.400 0.147 0.000 0.801 203 E CB -0.202 29.557 29.700 0.099 0.000 0.743 203 E HN 0.824 nan 8.360 nan 0.000 0.453 204 S N 0.068 115.791 115.700 0.040 0.000 2.387 204 S HA -0.146 4.324 4.470 0.000 0.000 0.226 204 S C 1.899 176.638 174.600 0.232 0.000 1.026 204 S CA 0.552 58.809 58.200 0.096 0.000 0.972 204 S CB -0.411 62.821 63.200 0.053 0.000 0.814 204 S HN 0.195 nan 8.310 nan 0.000 0.477 205 Y N 0.642 120.963 120.300 0.036 0.000 2.224 205 Y HA 0.100 4.650 4.550 0.000 0.000 0.289 205 Y C 1.979 177.929 175.900 0.083 0.000 1.146 205 Y CA -0.126 57.964 58.100 -0.016 0.000 1.182 205 Y CB -0.992 37.370 38.460 -0.163 0.000 0.983 205 Y HN 0.303 nan 8.280 nan 0.000 0.524 206 F N 0.050 120.163 119.950 0.272 0.000 2.743 206 F HA 0.061 4.588 4.527 0.000 0.000 0.297 206 F C 0.812 176.734 175.800 0.204 0.000 1.131 206 F CA 0.160 58.315 58.000 0.259 0.000 1.426 206 F CB -0.234 38.938 39.000 0.287 0.000 1.116 206 F HN -0.030 nan 8.300 nan 0.000 0.583 207 Q N 0.675 120.676 119.800 0.335 0.000 2.463 207 Q HA -0.186 4.154 4.340 0.000 0.000 0.299 207 Q C 0.016 176.109 176.000 0.154 0.000 1.353 207 Q CA 0.706 56.626 55.803 0.196 0.000 0.828 207 Q CB -2.621 26.212 28.738 0.157 0.000 1.157 207 Q HN 0.207 nan 8.270 nan 0.000 0.436 208 T N -0.006 114.652 114.554 0.173 0.000 2.888 208 T HA 0.458 4.808 4.350 0.000 0.000 0.301 208 T C 0.767 175.502 174.700 0.059 0.000 1.001 208 T CA 0.576 62.739 62.100 0.106 0.000 1.147 208 T CB 1.296 70.236 68.868 0.120 0.000 0.931 208 T HN 0.481 nan 8.240 nan 0.000 0.541 209 G N 0.734 109.553 108.800 0.032 0.000 2.690 209 G HA2 0.554 4.514 3.960 0.000 0.000 0.291 209 G HA3 0.554 4.514 3.960 0.000 0.000 0.291 209 G C 0.037 174.950 174.900 0.022 0.000 1.403 209 G CA -0.707 44.403 45.100 0.017 0.000 0.864 209 G HN 0.619 nan 8.290 nan 0.000 0.480 210 T N -2.239 112.328 114.554 0.022 0.000 3.339 210 T HA 0.271 4.621 4.350 0.000 0.000 0.292 210 T C 0.082 174.804 174.700 0.038 0.000 1.012 210 T CA 0.387 62.511 62.100 0.041 0.000 0.937 210 T CB 0.364 69.261 68.868 0.047 0.000 1.164 210 T HN 0.528 nan 8.240 nan 0.000 0.509 211 D N 0.223 120.625 120.400 0.004 0.000 2.527 211 D HA 0.062 4.702 4.640 0.000 0.000 0.224 211 D C 1.154 177.392 176.300 -0.103 0.000 1.217 211 D CA -0.128 53.855 54.000 -0.029 0.000 0.819 211 D CB 0.023 40.800 40.800 -0.037 0.000 1.061 211 D HN 0.231 nan 8.370 nan 0.000 0.515 212 Q N -0.413 119.320 119.800 -0.111 0.000 2.369 212 Q HA 0.163 4.503 4.340 0.000 0.000 0.206 212 Q C 0.296 175.888 176.000 -0.679 0.000 0.963 212 Q CA 0.891 56.486 55.803 -0.347 0.000 0.894 212 Q CB -0.270 28.238 28.738 -0.384 0.000 0.965 212 Q HN 0.293 nan 8.270 nan 0.000 0.475 213 F N -0.101 119.691 119.950 -0.263 0.000 2.698 213 F HA 0.235 4.762 4.527 0.000 0.000 0.304 213 F C 1.223 176.840 175.800 -0.305 0.000 1.108 213 F CA -0.538 57.266 58.000 -0.327 0.000 1.263 213 F CB 0.363 39.084 39.000 -0.465 0.000 1.013 213 F HN 0.000 nan 8.300 nan 0.000 0.532 214 K N 0.314 120.630 120.400 -0.140 0.000 2.147 214 K HA -0.117 4.203 4.320 0.000 0.000 0.205 214 K C 0.781 177.324 176.600 -0.095 0.000 1.049 214 K CA 1.652 57.913 56.287 -0.044 0.000 0.936 214 K CB -0.229 32.222 32.500 -0.082 0.000 0.722 214 K HN 0.312 nan 8.250 nan 0.000 0.446 215 E N 1.719 121.735 120.200 -0.307 0.000 2.437 215 E HA 0.051 4.401 4.350 0.000 0.000 0.195 215 E C -0.631 175.843 176.600 -0.210 0.000 1.029 215 E CA -0.367 55.650 56.400 -0.638 0.000 0.948 215 E CB 0.865 30.010 29.700 -0.925 0.000 1.082 215 E HN 0.237 nan 8.360 nan 0.000 0.456 216 S N 0.412 116.126 115.700 0.024 0.000 2.528 216 S HA 0.154 4.625 4.470 0.000 0.000 0.277 216 S C 1.182 175.866 174.600 0.141 0.000 1.297 216 S CA -0.460 57.800 58.200 0.100 0.000 1.052 216 S CB 0.573 63.884 63.200 0.185 0.000 0.917 216 S HN 0.206 nan 8.310 nan 0.000 0.492 217 I N 4.528 125.061 120.570 -0.062 0.000 2.202 217 I HA -0.138 4.032 4.170 0.000 0.000 0.242 217 I C 2.755 178.718 176.117 -0.258 0.000 1.091 217 I CA 1.081 62.117 61.300 -0.440 0.000 1.368 217 I CB -0.236 37.273 38.000 -0.817 0.000 1.058 217 I HN 0.700 nan 8.210 nan 0.000 0.410 218 R N -0.411 120.024 120.500 -0.109 0.000 2.081 218 R HA -0.230 4.110 4.340 0.000 0.000 0.235 218 R C 2.385 178.723 176.300 0.063 0.000 1.131 218 R CA 1.750 57.832 56.100 -0.030 0.000 0.960 218 R CB -0.687 29.608 30.300 -0.008 0.000 0.856 218 R HN 0.413 nan 8.270 nan 0.000 0.436 219 H N 1.121 120.214 119.070 0.039 0.000 2.319 219 H HA -0.072 4.485 4.556 0.000 0.000 0.299 219 H C 1.756 177.160 175.328 0.127 0.000 1.092 219 H CA 1.917 58.011 56.048 0.078 0.000 1.302 219 H CB -0.076 29.762 29.762 0.128 0.000 1.373 219 H HN 0.120 nan 8.280 nan 0.000 0.497 220 N N -0.124 118.679 118.700 0.173 0.000 2.300 220 N HA -0.104 4.636 4.740 0.000 0.000 0.179 220 N C 2.017 177.682 175.510 0.258 0.000 1.016 220 N CA 0.843 54.038 53.050 0.241 0.000 0.876 220 N CB -0.163 38.684 38.487 0.599 0.000 0.979 220 N HN 0.302 nan 8.380 nan 0.000 0.432 221 L N 1.290 122.681 121.223 0.279 0.000 2.012 221 L HA -0.131 4.209 4.340 0.000 0.000 0.210 221 L C 2.115 179.046 176.870 0.102 0.000 1.073 221 L CA 1.442 56.440 54.840 0.264 0.000 0.748 221 L CB -0.588 41.575 42.059 0.174 0.000 0.891 221 L HN -0.123 nan 8.230 nan 0.000 0.431 222 V N -0.816 119.111 119.914 0.022 0.000 2.379 222 V HA -0.233 3.887 4.120 0.000 0.000 0.245 222 V C 2.410 178.438 176.094 -0.109 0.000 1.044 222 V CA 1.608 63.888 62.300 -0.034 0.000 1.036 222 V CB -0.535 31.249 31.823 -0.066 0.000 0.664 222 V HN 0.511 nan 8.190 nan 0.000 0.453 223 L N 0.781 121.907 121.223 -0.162 0.000 2.046 223 L HA -0.140 4.200 4.340 0.000 0.000 0.208 223 L C 2.179 178.980 176.870 -0.115 0.000 1.077 223 L CA 2.009 56.736 54.840 -0.188 0.000 0.747 223 L CB -0.826 41.073 42.059 -0.265 0.000 0.896 223 L HN 0.299 nan 8.230 nan 0.000 0.432 224 N N -0.108 118.572 118.700 -0.034 0.000 2.142 224 N HA -0.197 4.543 4.740 0.000 0.000 0.186 224 N C 1.829 177.316 175.510 -0.038 0.000 1.023 224 N CA 1.275 54.321 53.050 -0.007 0.000 0.852 224 N CB -0.291 38.219 38.487 0.039 0.000 0.998 224 N HN 0.266 nan 8.380 nan 0.000 0.424 225 K N 1.268 121.646 120.400 -0.038 0.000 2.057 225 K HA 0.074 4.394 4.320 0.000 0.000 0.206 225 K C 1.909 178.454 176.600 -0.092 0.000 1.050 225 K CA 0.898 57.160 56.287 -0.042 0.000 0.935 225 K CB -0.401 32.096 32.500 -0.006 0.000 0.715 225 K HN 0.123 nan 8.250 nan 0.000 0.439 226 L N -0.028 121.070 121.223 -0.209 0.000 2.109 226 L HA -0.123 4.217 4.340 0.000 0.000 0.207 226 L C 2.189 178.849 176.870 -0.350 0.000 1.086 226 L CA 1.469 56.070 54.840 -0.397 0.000 0.760 226 L CB -0.687 40.766 42.059 -1.010 0.000 0.910 226 L HN 0.237 nan 8.230 nan 0.000 0.437 227 T N -0.638 113.755 114.554 -0.268 0.000 2.665 227 T HA -0.281 4.069 4.350 0.000 0.000 0.268 227 T C 1.771 176.506 174.700 0.058 0.000 1.035 227 T CA 1.898 64.005 62.100 0.013 0.000 1.151 227 T CB -0.139 68.751 68.868 0.036 0.000 0.862 227 T HN 0.424 nan 8.240 nan 0.000 0.438 228 E N 0.547 120.746 120.200 -0.002 0.000 2.047 228 E HA -0.175 4.175 4.350 0.000 0.000 0.191 228 E C 2.140 178.727 176.600 -0.020 0.000 0.987 228 E CA 0.933 57.330 56.400 -0.005 0.000 0.799 228 E CB 0.005 29.688 29.700 -0.028 0.000 0.752 228 E HN 0.322 nan 8.360 nan 0.000 0.449 229 E N -0.211 119.956 120.200 -0.056 0.000 2.160 229 E HA -0.179 4.171 4.350 0.000 0.000 0.195 229 E C 1.035 177.452 176.600 -0.305 0.000 0.991 229 E CA 1.074 57.361 56.400 -0.187 0.000 0.810 229 E CB -0.116 29.440 29.700 -0.240 0.000 0.742 229 E HN 0.497 nan 8.360 nan 0.000 0.466 230 Y N 0.233 120.566 120.300 0.055 0.000 2.607 230 Y HA 0.189 4.739 4.550 0.000 0.000 0.266 230 Y C 0.628 176.593 175.900 0.109 0.000 1.178 230 Y CA -0.420 57.755 58.100 0.126 0.000 1.226 230 Y CB 0.352 38.997 38.460 0.308 0.000 1.144 230 Y HN -0.253 nan 8.280 nan 0.000 0.528 231 K N 0.648 121.135 120.400 0.146 0.000 2.491 231 K HA 0.158 4.478 4.320 0.000 0.000 0.279 231 K C 1.247 177.906 176.600 0.098 0.000 1.026 231 K CA 1.308 57.662 56.287 0.112 0.000 1.070 231 K CB -0.062 32.472 32.500 0.057 0.000 0.887 231 K HN 0.593 nan 8.250 nan 0.000 0.481 232 G N 3.002 111.862 108.800 0.100 0.000 2.162 232 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 232 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 232 G C 0.524 175.481 174.900 0.095 0.000 0.976 232 G CA 0.778 45.926 45.100 0.080 0.000 0.655 232 G HN 0.741 nan 8.290 nan 0.000 0.533 233 Q N -1.538 118.347 119.800 0.142 0.000 2.527 233 Q HA 0.272 4.612 4.340 0.000 0.000 0.252 233 Q C 1.048 177.135 176.000 0.144 0.000 0.827 233 Q CA 0.106 56.004 55.803 0.157 0.000 0.979 233 Q CB 1.048 29.919 28.738 0.221 0.000 1.248 233 Q HN 0.462 nan 8.270 nan 0.000 0.578 234 R N 0.662 121.261 120.500 0.164 0.000 2.668 234 R HA 0.378 4.718 4.340 0.000 0.000 0.272 234 R C -1.683 174.651 176.300 0.058 0.000 1.019 234 R CA -0.683 55.421 56.100 0.007 0.000 0.894 234 R CB 1.786 31.886 30.300 -0.334 0.000 1.228 234 R HN -0.020 nan 8.270 nan 0.000 0.460 235 D N 1.401 121.765 120.400 -0.059 0.000 2.181 235 D HA 0.438 5.078 4.640 0.000 0.000 0.248 235 D C -0.733 175.461 176.300 -0.177 0.000 1.020 235 D CA 0.122 54.131 54.000 0.014 0.000 0.891 235 D CB 1.221 42.029 40.800 0.014 0.000 1.187 235 D HN 0.147 nan 8.370 nan 0.000 0.443 236 F N 0.476 120.433 119.950 0.013 0.000 2.563 236 F HA 0.353 4.880 4.527 0.000 0.000 0.316 236 F C 0.471 176.286 175.800 0.024 0.000 1.076 236 F CA -0.640 57.360 58.000 -0.001 0.000 0.921 236 F CB 1.945 40.940 39.000 -0.008 0.000 1.209 236 F HN 0.208 nan 8.300 nan 0.000 0.462 237 Q N 0.262 120.179 119.800 0.195 0.000 2.707 237 Q HA 0.366 4.707 4.340 0.000 0.000 0.307 237 Q C -1.519 174.597 176.000 0.193 0.000 0.934 237 Q CA -1.301 54.600 55.803 0.164 0.000 0.753 237 Q CB 1.772 30.573 28.738 0.105 0.000 1.478 237 Q HN 0.608 nan 8.270 nan 0.000 0.458 238 Q N 0.918 120.852 119.800 0.225 0.000 2.337 238 Q HA 0.203 4.543 4.340 0.000 0.000 0.270 238 Q C -0.498 175.574 176.000 0.119 0.000 1.002 238 Q CA -0.169 55.775 55.803 0.235 0.000 0.888 238 Q CB 0.464 29.305 28.738 0.172 0.000 1.222 238 Q HN 0.562 nan 8.270 nan 0.000 0.400 239 I N 6.837 127.455 120.570 0.081 0.000 2.906 239 I HA -0.110 4.060 4.170 0.000 0.000 0.301 239 I C -1.968 174.167 176.117 0.030 0.000 1.221 239 I CA -1.101 60.221 61.300 0.038 0.000 1.435 239 I CB 0.030 38.020 38.000 -0.016 0.000 1.345 239 I HN 0.459 nan 8.210 nan 0.000 0.558 240 P HA 0.178 nan 4.420 nan 0.000 0.266 240 P C -0.892 176.400 177.300 -0.014 0.000 1.215 240 P CA 0.242 63.344 63.100 0.004 0.000 0.763 240 P CB 0.403 32.091 31.700 -0.019 0.000 0.806 241 L N 2.524 123.751 121.223 0.007 0.000 2.365 241 L HA 0.613 4.953 4.340 0.000 0.000 0.273 241 L C 0.307 177.171 176.870 -0.011 0.000 1.000 241 L CA -1.169 53.673 54.840 0.003 0.000 0.819 241 L CB 2.073 44.209 42.059 0.129 0.000 1.284 241 L HN 0.249 nan 8.230 nan 0.000 0.418 242 A N 3.269 126.035 122.820 -0.090 0.000 2.539 242 A HA 0.732 5.052 4.320 0.000 0.000 0.306 242 A C 0.041 177.650 177.584 0.042 0.000 1.392 242 A CA 0.173 52.199 52.037 -0.017 0.000 1.060 242 A CB -0.385 18.530 19.000 -0.141 0.000 1.134 242 A HN 0.799 nan 8.150 nan 0.000 0.542 243 A N 2.035 124.853 122.820 -0.002 0.000 2.590 243 A HA 0.699 5.019 4.320 0.000 0.000 0.296 243 A C -0.490 176.989 177.584 -0.176 0.000 1.050 243 A CA -0.470 51.474 52.037 -0.155 0.000 0.697 243 A CB 0.672 19.416 19.000 -0.427 0.000 1.277 243 A HN 0.655 nan 8.150 nan 0.000 0.411 244 T N 1.601 116.024 114.554 -0.217 0.000 2.809 244 T HA 0.488 4.838 4.350 0.000 0.000 0.284 244 T C 0.026 174.580 174.700 -0.244 0.000 0.992 244 T CA -0.413 61.583 62.100 -0.173 0.000 0.957 244 T CB 1.106 69.931 68.868 -0.072 0.000 0.942 244 T HN 0.720 nan 8.240 nan 0.000 0.439 245 R N 2.382 122.723 120.500 -0.266 0.000 2.442 245 R HA 0.243 4.583 4.340 0.000 0.000 0.291 245 R C 0.734 176.948 176.300 -0.142 0.000 1.069 245 R CA -0.380 55.554 56.100 -0.276 0.000 1.022 245 R CB 0.395 30.491 30.300 -0.340 0.000 0.976 245 R HN 0.398 nan 8.270 nan 0.000 0.443 246 R N 1.069 121.535 120.500 -0.058 0.000 2.225 246 R HA 0.131 4.471 4.340 0.000 0.000 0.194 246 R C 0.206 176.485 176.300 -0.035 0.000 0.957 246 R CA 0.701 56.792 56.100 -0.014 0.000 1.042 246 R CB 0.300 30.638 30.300 0.063 0.000 1.004 246 R HN 0.770 nan 8.270 nan 0.000 0.509 247 S N -1.485 114.202 115.700 -0.022 0.000 2.643 247 S HA 0.384 4.854 4.470 0.000 0.000 0.270 247 S C -2.618 171.950 174.600 -0.053 0.000 1.166 247 S CA -1.055 57.127 58.200 -0.030 0.000 0.815 247 S CB 2.144 65.345 63.200 0.001 0.000 1.139 247 S HN -0.258 nan 8.310 nan 0.000 0.472 248 P HA 0.014 nan 4.420 nan 0.000 0.221 248 P C 1.054 178.329 177.300 -0.043 0.000 1.145 248 P CA 1.722 64.783 63.100 -0.065 0.000 0.795 248 P CB -0.129 31.549 31.700 -0.036 0.000 0.775 249 T N -6.698 107.863 114.554 0.012 0.000 3.040 249 T HA 0.254 4.604 4.350 0.000 0.000 0.266 249 T C -0.110 174.651 174.700 0.102 0.000 1.005 249 T CA -0.296 61.834 62.100 0.049 0.000 0.906 249 T CB -0.484 68.432 68.868 0.080 0.000 1.082 249 T HN -0.118 nan 8.240 nan 0.000 0.531 250 F N 1.709 121.596 119.950 -0.105 0.000 2.536 250 F HA 0.654 5.181 4.527 0.000 0.000 0.322 250 F C -1.380 174.288 175.800 -0.219 0.000 1.144 250 F CA -1.117 56.816 58.000 -0.113 0.000 0.924 250 F CB 1.938 40.888 39.000 -0.084 0.000 1.181 250 F HN -0.153 nan 8.300 nan 0.000 0.438 251 V N 5.311 124.885 119.914 -0.567 0.000 2.448 251 V HA 0.270 4.390 4.120 0.000 0.000 0.295 251 V C -0.392 175.161 176.094 -0.901 0.000 1.025 251 V CA -0.824 61.042 62.300 -0.723 0.000 0.859 251 V CB 1.642 32.856 31.823 -1.015 0.000 0.988 251 V HN 0.719 nan 8.190 nan 0.000 0.431 252 E N 4.631 124.544 120.200 -0.479 0.000 2.001 252 E HA 0.173 4.524 4.350 0.000 0.000 0.279 252 E C -1.061 175.339 176.600 -0.333 0.000 1.045 252 E CA -0.588 55.679 56.400 -0.221 0.000 0.833 252 E CB 0.471 30.229 29.700 0.097 0.000 1.077 252 E HN 0.637 nan 8.360 nan 0.000 0.397 253 W N 2.942 124.134 121.300 -0.180 0.000 2.216 253 W HA 0.106 4.766 4.660 0.000 0.000 0.326 253 W C 0.698 177.246 176.519 0.047 0.000 1.319 253 W CA -0.471 56.753 57.345 -0.202 0.000 1.213 253 W CB 0.870 29.959 29.460 -0.618 0.000 1.171 253 W HN 0.333 nan 8.180 nan 0.000 0.557 254 S N 1.607 117.522 115.700 0.358 0.000 2.624 254 S HA 0.605 5.076 4.470 0.000 0.000 0.263 254 S C 0.152 175.201 174.600 0.748 0.000 1.287 254 S CA -0.517 57.966 58.200 0.471 0.000 0.990 254 S CB 1.111 64.592 63.200 0.469 0.000 0.950 254 S HN 0.519 nan 8.310 nan 0.000 0.561 255 S N -0.364 115.722 115.700 0.642 0.000 2.724 255 S HA 0.680 5.150 4.470 0.000 0.000 0.278 255 S C 0.829 175.648 174.600 0.364 0.000 1.190 255 S CA -0.333 58.194 58.200 0.545 0.000 0.860 255 S CB 0.453 63.890 63.200 0.394 0.000 1.206 255 S HN 0.729 nan 8.310 nan 0.000 0.507 256 A N 1.788 124.714 122.820 0.177 0.000 1.915 256 A HA -0.248 4.072 4.320 0.000 0.000 0.220 256 A C 2.022 179.665 177.584 0.098 0.000 1.198 256 A CA 2.393 54.488 52.037 0.098 0.000 0.647 256 A CB -1.724 17.303 19.000 0.045 0.000 0.825 256 A HN 0.882 nan 8.150 nan 0.000 0.456 257 N N -0.784 117.979 118.700 0.105 0.000 2.137 257 N HA -0.171 4.569 4.740 0.000 0.000 0.190 257 N C 1.575 177.119 175.510 0.056 0.000 1.017 257 N CA 2.131 55.215 53.050 0.057 0.000 0.859 257 N CB -0.262 38.272 38.487 0.079 0.000 1.002 257 N HN 0.501 nan 8.380 nan 0.000 0.428 258 T N 0.350 114.991 114.554 0.145 0.000 2.788 258 T HA -0.049 4.301 4.350 0.000 0.000 0.268 258 T C 2.040 176.792 174.700 0.086 0.000 1.044 258 T CA 1.035 63.227 62.100 0.154 0.000 1.139 258 T CB -0.104 68.940 68.868 0.293 0.000 0.867 258 T HN 0.067 nan 8.240 nan 0.000 0.454 259 V N -0.527 119.422 119.914 0.058 0.000 2.346 259 V HA 0.203 4.323 4.120 0.000 0.000 0.244 259 V C 0.446 176.516 176.094 -0.041 0.000 1.037 259 V CA 0.895 63.152 62.300 -0.071 0.000 1.029 259 V CB -0.290 31.437 31.823 -0.160 0.000 0.663 259 V HN 0.478 nan 8.190 nan 0.000 0.454 260 F N 0.919 120.751 119.950 -0.196 0.000 2.604 260 F HA 0.393 4.920 4.527 0.000 0.000 0.316 260 F C 0.147 175.832 175.800 -0.191 0.000 1.136 260 F CA -1.542 56.311 58.000 -0.245 0.000 0.989 260 F CB 1.479 40.278 39.000 -0.335 0.000 1.258 260 F HN 0.153 nan 8.300 nan 0.000 0.451 261 D N 4.644 124.532 120.400 -0.853 0.000 2.363 261 D HA -0.015 4.625 4.640 0.000 0.000 0.220 261 D C 1.129 177.132 176.300 -0.495 0.000 0.994 261 D CA 1.052 54.736 54.000 -0.526 0.000 0.890 261 D CB -0.049 40.509 40.800 -0.403 0.000 0.906 261 D HN 0.674 nan 8.370 nan 0.000 0.530 262 L N -1.831 118.914 121.223 -0.798 0.000 4.696 262 L HA -0.243 4.097 4.340 0.000 0.000 0.425 262 L C -0.199 176.653 176.870 -0.030 0.000 1.115 262 L CA 0.510 55.203 54.840 -0.244 0.000 0.996 262 L CB -1.490 40.580 42.059 0.017 0.000 2.077 262 L HN 0.232 nan 8.230 nan 0.000 0.792 263 Q N 0.830 120.515 119.800 -0.193 0.000 2.327 263 Q HA 0.251 4.591 4.340 0.000 0.000 0.254 263 Q C 0.373 176.464 176.000 0.152 0.000 0.952 263 Q CA -0.275 55.508 55.803 -0.033 0.000 0.884 263 Q CB 0.684 29.363 28.738 -0.098 0.000 1.224 263 Q HN 0.120 nan 8.270 nan 0.000 0.422 264 N N 1.841 120.614 118.700 0.121 0.000 2.454 264 N HA 0.091 4.831 4.740 0.000 0.000 0.254 264 N C -0.321 175.259 175.510 0.115 0.000 1.228 264 N CA 0.392 53.506 53.050 0.107 0.000 0.900 264 N CB 0.582 39.027 38.487 -0.070 0.000 1.089 264 N HN 0.266 nan 8.380 nan 0.000 0.449 265 R N 1.331 121.926 120.500 0.157 0.000 2.807 265 R HA 0.505 4.845 4.340 0.000 0.000 0.276 265 R C -2.410 173.934 176.300 0.073 0.000 0.979 265 R CA -1.644 54.531 56.100 0.125 0.000 0.928 265 R CB 1.699 32.110 30.300 0.185 0.000 1.191 265 R HN 0.394 nan 8.270 nan 0.000 0.471 266 P HA 0.049 nan 4.420 nan 0.000 0.269 266 P C -1.327 176.022 177.300 0.081 0.000 1.209 266 P CA -0.110 63.064 63.100 0.124 0.000 0.776 266 P CB 0.593 32.418 31.700 0.208 0.000 0.876 267 N N -0.806 117.935 118.700 0.069 0.000 2.902 267 N HA 0.239 4.979 4.740 0.000 0.000 0.268 267 N C 0.631 176.159 175.510 0.030 0.000 1.450 267 N CA -0.765 52.307 53.050 0.038 0.000 0.819 267 N CB -0.532 37.965 38.487 0.016 0.000 1.540 267 N HN 0.047 nan 8.380 nan 0.000 0.545 268 T N -0.649 113.913 114.554 0.014 0.000 2.699 268 T HA -0.126 4.224 4.350 0.000 0.000 0.268 268 T C 0.485 175.187 174.700 0.005 0.000 1.036 268 T CA 1.680 63.785 62.100 0.008 0.000 1.147 268 T CB -0.470 68.398 68.868 0.000 0.000 0.862 268 T HN 0.518 nan 8.240 nan 0.000 0.446 269 D N 0.937 121.336 120.400 -0.002 0.000 2.269 269 D HA 0.126 4.766 4.640 0.000 0.000 0.208 269 D C 0.877 177.179 176.300 0.004 0.000 0.963 269 D CA 0.575 54.571 54.000 -0.007 0.000 0.864 269 D CB 0.148 40.933 40.800 -0.025 0.000 0.936 269 D HN 0.381 nan 8.370 nan 0.000 0.505 270 A N 0.994 123.827 122.820 0.021 0.000 3.370 270 A HA 0.363 4.683 4.320 0.000 0.000 0.295 270 A C -2.044 175.589 177.584 0.081 0.000 1.030 270 A CA -0.867 51.198 52.037 0.046 0.000 0.883 270 A CB 0.909 19.937 19.000 0.047 0.000 1.191 270 A HN -0.160 nan 8.150 nan 0.000 0.507 271 P HA -0.082 nan 4.420 nan 0.000 0.223 271 P C 0.724 178.112 177.300 0.146 0.000 1.151 271 P CA 1.238 64.387 63.100 0.081 0.000 0.787 271 P CB 0.371 32.085 31.700 0.023 0.000 0.788 272 E N -0.760 119.531 120.200 0.152 0.000 2.538 272 E HA 0.114 4.464 4.350 0.000 0.000 0.207 272 E C 0.191 177.029 176.600 0.397 0.000 1.002 272 E CA 0.053 56.590 56.400 0.228 0.000 0.952 272 E CB 0.504 30.231 29.700 0.045 0.000 1.031 272 E HN 0.468 nan 8.360 nan 0.000 0.476 273 E N 1.069 121.436 120.200 0.279 0.000 2.232 273 E HA 0.464 4.814 4.350 0.000 0.000 0.265 273 E C -0.240 176.443 176.600 0.138 0.000 1.001 273 E CA -0.545 55.975 56.400 0.200 0.000 0.870 273 E CB 1.503 31.302 29.700 0.164 0.000 1.175 273 E HN -0.143 nan 8.360 nan 0.000 0.407 274 R N 1.535 122.089 120.500 0.090 0.000 2.502 274 R HA 0.419 4.759 4.340 0.000 0.000 0.298 274 R C -1.706 174.691 176.300 0.162 0.000 1.018 274 R CA -0.533 55.574 56.100 0.012 0.000 0.899 274 R CB 1.012 31.219 30.300 -0.155 0.000 1.181 274 R HN 0.405 nan 8.270 nan 0.000 0.444 275 F N 2.361 122.308 119.950 -0.005 0.000 2.622 275 F HA 0.443 4.970 4.527 0.000 0.000 0.318 275 F C -1.782 173.968 175.800 -0.084 0.000 1.135 275 F CA -0.640 57.353 58.000 -0.011 0.000 1.015 275 F CB 1.916 40.978 39.000 0.103 0.000 1.275 275 F HN 0.399 nan 8.300 nan 0.000 0.457 276 N N 4.564 122.575 118.700 -1.147 0.000 2.258 276 N HA 0.656 5.396 4.740 0.000 0.000 0.299 276 N C -2.070 172.392 175.510 -1.747 0.000 1.047 276 N CA -0.665 51.643 53.050 -1.236 0.000 0.814 276 N CB 2.436 40.401 38.487 -0.869 0.000 1.413 276 N HN 0.604 nan 8.380 nan 0.000 0.478 277 L N 2.046 122.458 121.223 -1.352 0.000 2.329 277 L HA 0.672 5.012 4.340 0.000 0.000 0.279 277 L C -1.727 174.567 176.870 -0.960 0.000 1.014 277 L CA -0.366 53.935 54.840 -0.898 0.000 0.814 277 L CB 0.455 42.360 42.059 -0.258 0.000 1.257 277 L HN 0.473 nan 8.230 nan 0.000 0.424 278 F N 5.993 125.702 119.950 -0.402 0.000 2.434 278 F HA 0.552 5.079 4.527 0.000 0.000 0.367 278 F C -2.185 173.569 175.800 -0.077 0.000 1.093 278 F CA -1.978 55.881 58.000 -0.235 0.000 1.085 278 F CB 0.895 39.729 39.000 -0.276 0.000 1.322 278 F HN 0.399 nan 8.300 nan 0.000 0.452 279 P HA 0.342 nan 4.420 nan 0.000 0.276 279 P C -0.141 177.218 177.300 0.099 0.000 1.261 279 P CA -0.251 62.893 63.100 0.074 0.000 0.800 279 P CB 1.037 32.758 31.700 0.036 0.000 1.066 280 A N -0.874 121.987 122.820 0.070 0.000 2.739 280 A HA -0.089 4.231 4.320 0.000 0.000 0.296 280 A C -0.116 177.500 177.584 0.053 0.000 1.488 280 A CA 0.651 52.720 52.037 0.054 0.000 0.746 280 A CB -2.404 16.627 19.000 0.051 0.000 1.047 280 A HN 0.250 nan 8.150 nan 0.000 0.477 281 V N -0.150 119.808 119.914 0.074 0.000 2.447 281 V HA 0.649 4.769 4.120 0.000 0.000 0.292 281 V C 0.588 176.686 176.094 0.007 0.000 1.021 281 V CA -0.328 62.014 62.300 0.069 0.000 0.850 281 V CB 1.464 33.417 31.823 0.217 0.000 1.005 281 V HN 1.543 nan 8.190 nan 0.000 0.426 282 A N 4.161 126.961 122.820 -0.035 0.000 2.396 282 A HA 0.432 4.752 4.320 0.000 0.000 0.279 282 A C 0.224 177.780 177.584 -0.047 0.000 1.165 282 A CA -0.116 51.886 52.037 -0.059 0.000 0.824 282 A CB -0.137 18.876 19.000 0.021 0.000 1.100 282 A HN 0.861 nan 8.150 nan 0.000 0.516 283 C N 2.822 122.072 119.300 -0.083 0.000 2.499 283 C HA 0.327 4.787 4.460 0.000 0.000 0.386 283 C C 1.391 176.356 174.990 -0.043 0.000 1.293 283 C CA -0.226 58.737 59.018 -0.092 0.000 1.884 283 C CB -0.332 27.348 27.740 -0.101 0.000 2.509 283 C HN 1.012 nan 8.230 nan 0.000 0.566 284 E N 0.762 120.972 120.200 0.018 0.000 2.332 284 E HA 0.145 4.495 4.350 0.000 0.000 0.202 284 E C 0.326 176.928 176.600 0.004 0.000 0.877 284 E CA 0.312 56.739 56.400 0.045 0.000 0.979 284 E CB 0.550 30.342 29.700 0.154 0.000 0.969 284 E HN 0.593 nan 8.360 nan 0.000 0.495 285 R N 0.866 121.379 120.500 0.021 0.000 2.604 285 R HA 0.280 4.620 4.340 0.000 0.000 0.270 285 R C -1.209 175.076 176.300 -0.026 0.000 1.052 285 R CA -0.523 55.566 56.100 -0.018 0.000 0.902 285 R CB 2.587 32.864 30.300 -0.039 0.000 1.233 285 R HN -0.083 nan 8.270 nan 0.000 0.455 286 V N 0.232 120.112 119.914 -0.056 0.000 2.439 286 V HA 0.540 4.660 4.120 0.000 0.000 0.282 286 V C 0.029 176.074 176.094 -0.082 0.000 1.039 286 V CA -0.754 61.480 62.300 -0.111 0.000 0.913 286 V CB 1.608 33.323 31.823 -0.180 0.000 0.983 286 V HN 0.372 nan 8.190 nan 0.000 0.460 287 V N 5.875 125.723 119.914 -0.111 0.000 2.364 287 V HA 0.425 4.546 4.120 0.000 0.000 0.272 287 V C 0.706 176.779 176.094 -0.036 0.000 1.036 287 V CA -0.409 61.855 62.300 -0.060 0.000 0.880 287 V CB 0.759 32.560 31.823 -0.037 0.000 0.991 287 V HN 0.924 nan 8.190 nan 0.000 0.460 288 R N 3.819 124.318 120.500 -0.001 0.000 2.441 288 R HA 0.270 4.610 4.340 0.000 0.000 0.284 288 R C 0.362 176.699 176.300 0.062 0.000 1.070 288 R CA -0.524 55.637 56.100 0.102 0.000 1.047 288 R CB 0.656 30.986 30.300 0.049 0.000 1.016 288 R HN 0.875 nan 8.270 nan 0.000 0.477 289 N N 1.434 120.183 118.700 0.082 0.000 2.354 289 N HA 0.010 4.750 4.740 0.000 0.000 0.246 289 N C 0.511 176.019 175.510 -0.004 0.000 1.285 289 N CA 0.057 53.120 53.050 0.022 0.000 0.925 289 N CB 0.518 39.012 38.487 0.011 0.000 1.174 289 N HN 0.556 nan 8.380 nan 0.000 0.478 290 A N 0.411 123.221 122.820 -0.017 0.000 1.972 290 A HA -0.052 4.268 4.320 0.000 0.000 0.219 290 A C 2.152 179.711 177.584 -0.043 0.000 1.169 290 A CA 0.883 52.904 52.037 -0.028 0.000 0.635 290 A CB -0.818 18.168 19.000 -0.023 0.000 0.810 290 A HN 0.657 nan 8.150 nan 0.000 0.446 291 L N -0.894 120.296 121.223 -0.055 0.000 2.465 291 L HA -0.056 4.284 4.340 0.000 0.000 0.224 291 L C 0.116 176.901 176.870 -0.143 0.000 1.145 291 L CA 0.113 54.903 54.840 -0.083 0.000 0.834 291 L CB -0.467 41.544 42.059 -0.080 0.000 0.944 291 L HN 0.414 nan 8.230 nan 0.000 0.451 292 N N 0.014 118.620 118.700 -0.158 0.000 2.740 292 N HA -0.180 4.561 4.740 0.000 0.000 0.248 292 N C 0.883 175.876 175.510 -0.861 0.000 1.062 292 N CA 1.063 53.919 53.050 -0.324 0.000 0.704 292 N CB -1.225 37.195 38.487 -0.112 0.000 0.968 292 N HN 0.542 nan 8.380 nan 0.000 0.547 293 S N -2.167 113.133 115.700 -0.667 0.000 2.632 293 S HA 0.302 4.772 4.470 0.000 0.000 0.237 293 S C 0.258 174.583 174.600 -0.460 0.000 1.037 293 S CA -0.212 57.628 58.200 -0.600 0.000 1.009 293 S CB 1.575 64.623 63.200 -0.253 0.000 0.974 293 S HN 0.363 nan 8.310 nan 0.000 0.544 294 E N 0.203 120.221 120.200 -0.303 0.000 2.375 294 E HA 0.440 4.790 4.350 0.000 0.000 0.280 294 E C -1.712 175.061 176.600 0.288 0.000 0.972 294 E CA -0.824 55.633 56.400 0.096 0.000 0.782 294 E CB 1.382 31.124 29.700 0.070 0.000 1.229 294 E HN 0.105 nan 8.360 nan 0.000 0.439 295 I N 3.211 123.923 120.570 0.237 0.000 2.396 295 I HA 0.156 4.326 4.170 0.000 0.000 0.292 295 I C 0.852 176.907 176.117 -0.103 0.000 0.999 295 I CA 0.058 61.329 61.300 -0.049 0.000 1.310 295 I CB 1.342 39.065 38.000 -0.462 0.000 1.404 295 I HN 0.682 nan 8.210 nan 0.000 0.496 296 E N 3.043 123.181 120.200 -0.104 0.000 2.340 296 E HA 0.095 4.445 4.350 0.000 0.000 0.198 296 E C 0.281 176.920 176.600 0.064 0.000 0.961 296 E CA 0.386 56.802 56.400 0.025 0.000 0.905 296 E CB 0.680 30.400 29.700 0.034 0.000 0.884 296 E HN 0.750 nan 8.360 nan 0.000 0.491 297 S N -0.625 115.030 115.700 -0.075 0.000 2.656 297 S HA 0.476 4.946 4.470 0.000 0.000 0.265 297 S C -1.664 172.921 174.600 -0.024 0.000 1.132 297 S CA -1.033 57.219 58.200 0.087 0.000 0.819 297 S CB 1.110 64.376 63.200 0.110 0.000 1.119 297 S HN 0.005 nan 8.310 nan 0.000 0.476 298 L N 1.882 123.186 121.223 0.134 0.000 2.349 298 L HA 0.666 5.006 4.340 0.000 0.000 0.278 298 L C -0.739 176.133 176.870 0.003 0.000 0.996 298 L CA -0.171 54.700 54.840 0.052 0.000 0.825 298 L CB 1.344 43.467 42.059 0.107 0.000 1.243 298 L HN 1.015 nan 8.230 nan 0.000 0.412 299 H N 5.223 124.249 119.070 -0.073 0.000 2.580 299 H HA 0.675 5.231 4.556 0.000 0.000 0.322 299 H C -0.531 174.736 175.328 -0.103 0.000 1.082 299 H CA -0.218 55.787 56.048 -0.072 0.000 1.383 299 H CB 0.845 30.569 29.762 -0.065 0.000 1.450 299 H HN 0.660 nan 8.280 nan 0.000 0.505 300 I N 1.425 121.633 120.570 -0.604 0.000 3.002 300 I HA 0.401 4.571 4.170 0.000 0.000 0.310 300 I C -1.208 174.735 176.117 -0.290 0.000 1.087 300 I CA -1.058 60.023 61.300 -0.365 0.000 1.017 300 I CB 2.565 40.318 38.000 -0.412 0.000 1.226 300 I HN 0.687 nan 8.210 nan 0.000 0.443 301 H N 2.763 121.732 119.070 -0.168 0.000 2.860 301 H HA 0.226 4.782 4.556 0.000 0.000 0.312 301 H C -1.494 173.839 175.328 0.009 0.000 0.995 301 H CA -0.670 55.331 56.048 -0.077 0.000 1.311 301 H CB 1.410 31.175 29.762 0.006 0.000 1.478 301 H HN 0.777 nan 8.280 nan 0.000 0.508 302 D N 5.853 126.273 120.400 0.032 0.000 2.338 302 D HA -0.002 4.638 4.640 0.000 0.000 0.255 302 D C 1.197 177.374 176.300 -0.205 0.000 1.237 302 D CA -0.107 53.900 54.000 0.013 0.000 0.883 302 D CB 0.990 41.927 40.800 0.227 0.000 1.087 302 D HN 0.690 nan 8.370 nan 0.000 0.485 303 L N 4.204 125.292 121.223 -0.225 0.000 2.291 303 L HA -0.134 4.206 4.340 0.000 0.000 0.214 303 L C 1.982 178.797 176.870 -0.091 0.000 1.120 303 L CA 0.207 54.896 54.840 -0.251 0.000 0.799 303 L CB -0.126 41.873 42.059 -0.100 0.000 0.925 303 L HN 0.515 nan 8.230 nan 0.000 0.446 304 I N -0.269 120.286 120.570 -0.025 0.000 2.206 304 I HA -0.169 4.001 4.170 0.000 0.000 0.239 304 I C 2.810 178.943 176.117 0.027 0.000 1.078 304 I CA 1.784 63.092 61.300 0.014 0.000 1.367 304 I CB -1.327 36.694 38.000 0.035 0.000 1.078 304 I HN 0.294 nan 8.210 nan 0.000 0.413 305 S N 0.556 116.287 115.700 0.051 0.000 2.406 305 S HA 0.039 4.509 4.470 0.000 0.000 0.228 305 S C 1.868 176.508 174.600 0.067 0.000 1.020 305 S CA 1.007 59.252 58.200 0.075 0.000 0.965 305 S CB -0.254 63.026 63.200 0.134 0.000 0.798 305 S HN 0.642 nan 8.310 nan 0.000 0.488 306 G N 0.958 109.790 108.800 0.052 0.000 2.176 306 G HA2 -0.182 3.778 3.960 0.000 0.000 0.253 306 G HA3 -0.182 3.778 3.960 0.000 0.000 0.253 306 G C -0.380 174.613 174.900 0.155 0.000 0.979 306 G CA 0.211 45.383 45.100 0.121 0.000 0.641 306 G HN 0.578 nan 8.290 nan 0.000 0.530 307 D N 0.120 120.557 120.400 0.062 0.000 2.312 307 D HA 0.589 5.229 4.640 0.000 0.000 0.248 307 D C 0.816 176.910 176.300 -0.344 0.000 1.086 307 D CA -0.070 53.821 54.000 -0.181 0.000 0.948 307 D CB 0.774 41.399 40.800 -0.292 0.000 1.162 307 D HN 0.331 nan 8.370 nan 0.000 0.446 308 R N 0.502 120.607 120.500 -0.659 0.000 2.637 308 R HA 0.630 4.970 4.340 0.000 0.000 0.291 308 R C -0.887 174.816 176.300 -0.996 0.000 0.963 308 R CA -0.658 55.081 56.100 -0.601 0.000 0.901 308 R CB 1.317 31.486 30.300 -0.218 0.000 1.160 308 R HN 0.280 nan 8.270 nan 0.000 0.457 309 F N -0.219 119.553 119.950 -0.298 0.000 2.662 309 F HA 0.359 4.886 4.527 0.000 0.000 0.312 309 F C -0.022 175.621 175.800 -0.261 0.000 1.113 309 F CA -0.987 56.891 58.000 -0.204 0.000 0.951 309 F CB 1.797 40.695 39.000 -0.171 0.000 1.344 309 F HN 0.179 nan 8.300 nan 0.000 0.462 310 E N 2.322 122.573 120.200 0.086 0.000 2.183 310 E HA 0.558 4.908 4.350 0.000 0.000 0.271 310 E C -1.086 175.550 176.600 0.059 0.000 0.919 310 E CA -0.579 55.851 56.400 0.050 0.000 0.781 310 E CB 2.760 32.513 29.700 0.090 0.000 1.140 310 E HN 0.311 nan 8.360 nan 0.000 0.402 311 I N 1.914 122.507 120.570 0.040 0.000 2.569 311 I HA 0.370 4.540 4.170 0.000 0.000 0.296 311 I C -0.030 176.192 176.117 0.175 0.000 1.028 311 I CA -0.794 60.556 61.300 0.083 0.000 1.082 311 I CB 1.892 39.895 38.000 0.005 0.000 1.264 311 I HN 0.318 nan 8.210 nan 0.000 0.429 312 K N 3.424 123.935 120.400 0.185 0.000 2.203 312 K HA 0.876 5.196 4.320 0.000 0.000 0.251 312 K C -1.132 175.541 176.600 0.120 0.000 0.944 312 K CA -0.346 56.063 56.287 0.204 0.000 0.829 312 K CB 2.432 35.025 32.500 0.156 0.000 1.125 312 K HN 0.846 nan 8.250 nan 0.000 0.430 313 A N 1.917 124.725 122.820 -0.020 0.000 2.602 313 A HA 0.332 4.652 4.320 0.000 0.000 0.290 313 A C -0.702 176.793 177.584 -0.148 0.000 1.114 313 A CA -0.668 51.246 52.037 -0.205 0.000 0.683 313 A CB 1.063 19.710 19.000 -0.589 0.000 1.281 313 A HN 0.791 nan 8.150 nan 0.000 0.416 314 D N -0.610 119.742 120.400 -0.081 0.000 2.162 314 D HA 0.146 4.786 4.640 0.000 0.000 0.203 314 D C 0.300 176.550 176.300 -0.084 0.000 0.967 314 D CA 1.646 55.680 54.000 0.056 0.000 0.840 314 D CB 0.265 41.166 40.800 0.167 0.000 0.972 314 D HN 0.230 nan 8.370 nan 0.000 0.482 315 V N 0.444 120.147 119.914 -0.350 0.000 2.760 315 V HA 0.294 4.414 4.120 0.000 0.000 0.309 315 V C -1.388 174.463 176.094 -0.405 0.000 1.077 315 V CA -0.899 61.189 62.300 -0.354 0.000 0.910 315 V CB 2.113 33.593 31.823 -0.572 0.000 1.008 315 V HN -0.073 nan 8.190 nan 0.000 0.424 316 Y N 2.557 122.844 120.300 -0.023 0.000 2.331 316 Y HA 0.722 5.272 4.550 0.000 0.000 0.334 316 Y C -0.178 175.689 175.900 -0.055 0.000 0.960 316 Y CA -0.919 57.157 58.100 -0.039 0.000 1.130 316 Y CB 2.180 40.620 38.460 -0.032 0.000 1.164 316 Y HN 0.349 nan 8.280 nan 0.000 0.458 317 V N 5.330 125.213 119.914 -0.051 0.000 2.487 317 V HA 0.423 4.543 4.120 0.000 0.000 0.298 317 V C -0.504 175.455 176.094 -0.223 0.000 1.028 317 V CA -0.943 61.216 62.300 -0.234 0.000 0.860 317 V CB 1.898 33.359 31.823 -0.602 0.000 0.991 317 V HN 0.596 nan 8.190 nan 0.000 0.427 318 L N 4.969 126.054 121.223 -0.229 0.000 2.276 318 L HA 0.564 4.904 4.340 0.000 0.000 0.286 318 L C 0.245 177.006 176.870 -0.182 0.000 1.024 318 L CA -0.188 54.541 54.840 -0.185 0.000 0.826 318 L CB 1.698 43.630 42.059 -0.211 0.000 1.211 318 L HN 0.831 nan 8.230 nan 0.000 0.422 319 T N -1.429 113.053 114.554 -0.121 0.000 3.630 319 T HA 0.376 4.726 4.350 0.000 0.000 0.238 319 T C 0.599 175.301 174.700 0.004 0.000 1.195 319 T CA -0.200 61.869 62.100 -0.052 0.000 1.433 319 T CB 1.044 69.880 68.868 -0.053 0.000 0.940 319 T HN 0.530 nan 8.240 nan 0.000 0.641 320 A N 0.814 123.646 122.820 0.021 0.000 2.345 320 A HA 0.780 5.100 4.320 0.000 0.000 0.225 320 A C 1.345 179.002 177.584 0.122 0.000 1.243 320 A CA 0.042 52.116 52.037 0.061 0.000 0.875 320 A CB -0.681 18.349 19.000 0.050 0.000 0.929 320 A HN 1.730 nan 8.150 nan 0.000 0.502 321 G N -2.500 106.371 108.800 0.118 0.000 2.663 321 G HA2 0.276 4.236 3.960 0.000 0.000 0.686 321 G HA3 0.276 4.236 3.960 0.000 0.000 0.686 321 G C 0.731 175.728 174.900 0.162 0.000 1.246 321 G CA -0.300 44.877 45.100 0.129 0.000 0.795 321 G HN 1.276 nan 8.290 nan 0.000 0.627 322 A N -0.035 122.869 122.820 0.139 0.000 1.940 322 A HA 0.167 4.487 4.320 0.000 0.000 0.219 322 A C 2.653 180.322 177.584 0.141 0.000 1.176 322 A CA 3.257 55.370 52.037 0.126 0.000 0.631 322 A CB -0.369 18.679 19.000 0.080 0.000 0.814 322 A HN 1.601 nan 8.150 nan 0.000 0.446 323 V N -1.037 118.923 119.914 0.076 0.000 2.346 323 V HA -0.189 3.931 4.120 0.000 0.000 0.244 323 V C 2.219 178.353 176.094 0.067 0.000 1.037 323 V CA 2.107 64.431 62.300 0.041 0.000 1.029 323 V CB -0.993 30.736 31.823 -0.157 0.000 0.663 323 V HN 0.742 nan 8.190 nan 0.000 0.454 324 H N -0.338 118.809 119.070 0.128 0.000 2.470 324 H HA -0.041 4.515 4.556 0.000 0.000 0.289 324 H C 2.286 177.614 175.328 0.001 0.000 1.033 324 H CA 0.987 57.069 56.048 0.056 0.000 1.331 324 H CB 0.127 29.901 29.762 0.019 0.000 1.414 324 H HN 0.321 nan 8.280 nan 0.000 0.545 325 N N -0.040 118.743 118.700 0.138 0.000 2.069 325 N HA -0.126 4.614 4.740 0.000 0.000 0.191 325 N C 1.818 177.321 175.510 -0.011 0.000 1.031 325 N CA 1.843 54.906 53.050 0.021 0.000 0.852 325 N CB -0.551 37.946 38.487 0.017 0.000 1.018 325 N HN 0.303 nan 8.380 nan 0.000 0.423 326 T N 0.865 115.489 114.554 0.117 0.000 2.720 326 T HA -0.194 4.156 4.350 0.000 0.000 0.268 326 T C 1.838 176.367 174.700 -0.286 0.000 1.037 326 T CA 1.225 63.372 62.100 0.078 0.000 1.144 326 T CB -0.264 68.794 68.868 0.317 0.000 0.864 326 T HN 0.362 nan 8.240 nan 0.000 0.444 327 Q N 0.069 119.624 119.800 -0.409 0.000 2.050 327 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 327 Q C 2.310 178.037 176.000 -0.455 0.000 0.980 327 Q CA 1.192 56.463 55.803 -0.886 0.000 0.840 327 Q CB -0.244 28.345 28.738 -0.249 0.000 0.898 327 Q HN 0.368 nan 8.270 nan 0.000 0.424 328 L N 0.559 121.650 121.223 -0.221 0.000 2.056 328 L HA -0.136 4.204 4.340 0.000 0.000 0.207 328 L C 2.006 178.787 176.870 -0.149 0.000 1.078 328 L CA 1.518 56.266 54.840 -0.152 0.000 0.749 328 L CB -0.543 41.449 42.059 -0.113 0.000 0.901 328 L HN 0.293 nan 8.230 nan 0.000 0.433 329 L N -1.931 119.183 121.223 -0.180 0.000 2.017 329 L HA -0.198 4.142 4.340 0.000 0.000 0.208 329 L C 2.426 179.314 176.870 0.029 0.000 1.073 329 L CA 1.041 55.801 54.840 -0.133 0.000 0.745 329 L CB -0.647 41.246 42.059 -0.278 0.000 0.894 329 L HN 0.070 nan 8.230 nan 0.000 0.432 330 V N -0.034 119.819 119.914 -0.103 0.000 2.343 330 V HA -0.275 3.845 4.120 0.000 0.000 0.247 330 V C 2.121 178.177 176.094 -0.063 0.000 1.051 330 V CA 1.971 64.232 62.300 -0.065 0.000 1.036 330 V CB -0.716 31.000 31.823 -0.177 0.000 0.654 330 V HN 0.486 nan 8.190 nan 0.000 0.451 331 N N 0.082 118.705 118.700 -0.129 0.000 2.443 331 N HA -0.111 4.629 4.740 0.000 0.000 0.184 331 N C 1.551 177.034 175.510 -0.046 0.000 1.037 331 N CA 1.258 54.259 53.050 -0.083 0.000 0.896 331 N CB -0.063 38.366 38.487 -0.097 0.000 0.959 331 N HN 0.417 nan 8.380 nan 0.000 0.442 332 S N -1.722 113.978 115.700 0.000 0.000 2.540 332 S HA 0.335 4.805 4.470 0.000 0.000 0.218 332 S C 1.065 175.644 174.600 -0.035 0.000 0.977 332 S CA 0.244 58.458 58.200 0.023 0.000 0.918 332 S CB 0.682 63.951 63.200 0.115 0.000 0.806 332 S HN 0.528 nan 8.310 nan 0.000 0.496 333 G N 1.083 109.860 108.800 -0.037 0.000 2.159 333 G HA2 -0.217 3.743 3.960 0.000 0.000 0.227 333 G HA3 -0.217 3.743 3.960 0.000 0.000 0.227 333 G C -0.088 174.698 174.900 -0.191 0.000 0.986 333 G CA -0.594 44.431 45.100 -0.125 0.000 0.651 333 G HN 0.400 nan 8.290 nan 0.000 0.523 334 F N 0.904 120.815 119.950 -0.065 0.000 2.371 334 F HA 0.551 5.078 4.527 0.000 0.000 0.329 334 F C 1.642 177.441 175.800 -0.001 0.000 1.107 334 F CA 0.944 58.917 58.000 -0.045 0.000 1.137 334 F CB 0.933 39.876 39.000 -0.096 0.000 1.214 334 F HN 0.735 nan 8.300 nan 0.000 0.536 335 G N 1.783 110.724 108.800 0.235 0.000 2.581 335 G HA2 -0.300 3.660 3.960 0.000 0.000 0.291 335 G HA3 -0.300 3.660 3.960 0.000 0.000 0.291 335 G C -0.722 174.250 174.900 0.120 0.000 1.277 335 G CA 0.130 45.334 45.100 0.174 0.000 0.959 335 G HN 0.841 nan 8.290 nan 0.000 0.554 336 Q N -1.132 118.745 119.800 0.129 0.000 2.323 336 Q HA 0.629 4.969 4.340 0.000 0.000 0.271 336 Q C -1.004 175.076 176.000 0.134 0.000 1.048 336 Q CA -1.012 54.846 55.803 0.093 0.000 0.792 336 Q CB 1.733 30.508 28.738 0.061 0.000 1.280 336 Q HN 0.830 nan 8.270 nan 0.000 0.441 337 L N 3.668 124.957 121.223 0.110 0.000 2.371 337 L HA 0.770 5.110 4.340 0.000 0.000 0.272 337 L C 0.295 177.246 176.870 0.135 0.000 1.124 337 L CA 1.787 56.720 54.840 0.154 0.000 0.816 337 L CB 1.041 43.162 42.059 0.104 0.000 1.129 337 L HN 0.853 nan 8.230 nan 0.000 0.448 338 G N 3.687 112.623 108.800 0.228 0.000 2.685 338 G HA2 -0.194 3.766 3.960 0.000 0.000 0.387 338 G HA3 -0.194 3.766 3.960 0.000 0.000 0.387 338 G C -0.619 174.163 174.900 -0.197 0.000 1.324 338 G CA -0.278 44.904 45.100 0.136 0.000 0.878 338 G HN 0.901 nan 8.290 nan 0.000 0.527 339 R N 0.799 120.965 120.500 -0.556 0.000 2.489 339 R HA 0.403 4.743 4.340 0.000 0.000 0.287 339 R C -1.919 173.926 176.300 -0.757 0.000 1.053 339 R CA -0.692 54.647 56.100 -1.269 0.000 1.036 339 R CB 0.080 29.919 30.300 -0.767 0.000 0.966 339 R HN 0.356 nan 8.270 nan 0.000 0.432 340 P HA -0.008 nan 4.420 nan 0.000 0.268 340 P C -1.338 175.801 177.300 -0.269 0.000 1.204 340 P CA 0.130 62.986 63.100 -0.406 0.000 0.768 340 P CB 0.483 31.972 31.700 -0.352 0.000 0.842 341 N N 3.914 122.516 118.700 -0.164 0.000 2.558 341 N HA 0.157 4.897 4.740 0.000 0.000 0.285 341 N C -2.234 173.232 175.510 -0.072 0.000 1.112 341 N CA -1.781 51.199 53.050 -0.116 0.000 0.857 341 N CB 1.964 40.385 38.487 -0.110 0.000 1.376 341 N HN 0.054 nan 8.380 nan 0.000 0.526 342 P HA 0.045 nan 4.420 nan 0.000 0.225 342 P C 0.949 178.234 177.300 -0.025 0.000 1.156 342 P CA 0.537 63.615 63.100 -0.037 0.000 0.787 342 P CB 0.219 31.896 31.700 -0.037 0.000 0.802 343 A N -0.585 122.218 122.820 -0.029 0.000 2.235 343 A HA -0.016 4.304 4.320 0.000 0.000 0.208 343 A C 1.313 178.885 177.584 -0.020 0.000 1.172 343 A CA 0.404 52.428 52.037 -0.022 0.000 0.786 343 A CB -0.918 18.068 19.000 -0.023 0.000 0.804 343 A HN 0.152 nan 8.150 nan 0.000 0.479 344 N N 0.678 119.364 118.700 -0.023 0.000 2.703 344 N HA 0.171 4.911 4.740 0.000 0.000 0.283 344 N C -3.211 172.292 175.510 -0.011 0.000 1.851 344 N CA -1.024 52.015 53.050 -0.019 0.000 0.826 344 N CB 1.160 39.632 38.487 -0.025 0.000 1.239 344 N HN 0.133 nan 8.380 nan 0.000 0.495 345 P HA 0.240 nan 4.420 nan 0.000 0.271 345 P C -2.657 174.653 177.300 0.016 0.000 1.218 345 P CA -0.690 62.416 63.100 0.010 0.000 0.780 345 P CB 0.138 31.846 31.700 0.015 0.000 0.901 346 P HA 0.159 nan 4.420 nan 0.000 0.275 346 P C 0.969 178.290 177.300 0.035 0.000 1.228 346 P CA -0.137 62.984 63.100 0.035 0.000 0.786 346 P CB 1.005 32.741 31.700 0.061 0.000 0.927 347 E N 1.409 121.621 120.200 0.020 0.000 2.049 347 E HA -0.118 4.232 4.350 0.000 0.000 0.198 347 E C 0.003 176.630 176.600 0.045 0.000 1.007 347 E CA 1.058 57.468 56.400 0.017 0.000 0.809 347 E CB -0.028 29.666 29.700 -0.009 0.000 0.749 347 E HN 0.403 nan 8.360 nan 0.000 0.450 348 L N 0.929 122.186 121.223 0.057 0.000 2.341 348 L HA 0.298 4.638 4.340 0.000 0.000 0.278 348 L C -0.243 176.749 176.870 0.204 0.000 1.005 348 L CA -0.823 54.093 54.840 0.126 0.000 0.818 348 L CB 1.791 43.873 42.059 0.039 0.000 1.259 348 L HN 0.179 nan 8.230 nan 0.000 0.418 349 L N 3.794 125.161 121.223 0.240 0.000 3.746 349 L HA -0.164 4.176 4.340 0.000 0.000 0.542 349 L C -1.450 175.536 176.870 0.194 0.000 1.268 349 L CA -0.429 54.559 54.840 0.247 0.000 0.818 349 L CB -0.690 41.552 42.059 0.304 0.000 1.472 349 L HN 0.599 nan 8.230 nan 0.000 0.843 350 P HA -0.095 nan 4.420 nan 0.000 0.223 350 P C 1.206 178.605 177.300 0.165 0.000 1.151 350 P CA 0.952 64.132 63.100 0.133 0.000 0.787 350 P CB 0.322 32.080 31.700 0.098 0.000 0.788 351 S N -0.487 115.327 115.700 0.191 0.000 2.593 351 S HA 0.065 4.535 4.470 0.000 0.000 0.217 351 S C 0.827 175.587 174.600 0.266 0.000 0.966 351 S CA -0.387 57.970 58.200 0.261 0.000 0.914 351 S CB -0.771 62.568 63.200 0.232 0.000 0.776 351 S HN 0.070 nan 8.310 nan 0.000 0.523 352 L N 2.282 123.641 121.223 0.228 0.000 2.513 352 L HA 0.424 4.764 4.340 0.000 0.000 0.272 352 L C 1.123 178.142 176.870 0.249 0.000 1.187 352 L CA 1.094 56.072 54.840 0.229 0.000 0.895 352 L CB -0.367 41.815 42.059 0.205 0.000 1.147 352 L HN 0.317 nan 8.230 nan 0.000 0.483 353 G N 2.353 111.309 108.800 0.261 0.000 2.159 353 G HA2 -0.251 3.709 3.960 0.000 0.000 0.256 353 G HA3 -0.251 3.709 3.960 0.000 0.000 0.256 353 G C 0.385 175.424 174.900 0.231 0.000 0.977 353 G CA 0.277 45.536 45.100 0.264 0.000 0.652 353 G HN 0.837 nan 8.290 nan 0.000 0.531 354 S N -1.640 114.204 115.700 0.240 0.000 2.726 354 S HA 0.657 5.127 4.470 0.000 0.000 0.308 354 S C 0.380 175.150 174.600 0.284 0.000 1.115 354 S CA 0.036 58.325 58.200 0.147 0.000 0.965 354 S CB 0.902 64.122 63.200 0.034 0.000 1.145 354 S HN 0.950 nan 8.310 nan 0.000 0.532 355 Y N -0.807 119.563 120.300 0.115 0.000 4.079 355 Y HA -0.213 4.337 4.550 0.000 0.000 0.223 355 Y C 0.575 176.561 175.900 0.144 0.000 1.155 355 Y CA 0.254 58.420 58.100 0.111 0.000 1.805 355 Y CB -2.229 36.292 38.460 0.102 0.000 1.571 355 Y HN 0.601 nan 8.280 nan 0.000 0.654 356 I N 0.040 120.767 120.570 0.262 0.000 2.754 356 I HA 0.425 4.595 4.170 0.000 0.000 0.285 356 I C 0.683 176.989 176.117 0.315 0.000 1.166 356 I CA 0.499 61.965 61.300 0.276 0.000 1.417 356 I CB 1.204 39.374 38.000 0.284 0.000 1.382 356 I HN 0.221 nan 8.210 nan 0.000 0.588 357 T N 1.883 116.594 114.554 0.262 0.000 2.876 357 T HA 0.689 5.039 4.350 0.000 0.000 0.289 357 T C -0.703 174.070 174.700 0.121 0.000 1.014 357 T CA -0.705 61.544 62.100 0.249 0.000 0.986 357 T CB 2.127 71.076 68.868 0.136 0.000 1.021 357 T HN 0.836 nan 8.240 nan 0.000 0.458 358 E N 0.951 121.204 120.200 0.088 0.000 2.356 358 E HA 0.365 4.715 4.350 0.000 0.000 0.275 358 E C -1.196 175.521 176.600 0.194 0.000 0.904 358 E CA -0.554 55.827 56.400 -0.032 0.000 0.757 358 E CB 2.112 31.547 29.700 -0.440 0.000 1.232 358 E HN 0.712 nan 8.360 nan 0.000 0.442 359 Q N 1.113 121.031 119.800 0.197 0.000 2.293 359 Q HA 0.472 4.813 4.340 0.000 0.000 0.251 359 Q C -0.432 175.756 176.000 0.314 0.000 0.930 359 Q CA -0.551 55.412 55.803 0.266 0.000 0.893 359 Q CB 1.379 30.301 28.738 0.306 0.000 1.215 359 Q HN 0.484 nan 8.270 nan 0.000 0.425 360 S N 1.525 117.336 115.700 0.184 0.000 2.572 360 S HA 0.297 4.767 4.470 0.000 0.000 0.279 360 S C -0.655 173.989 174.600 0.073 0.000 1.341 360 S CA -0.384 57.801 58.200 -0.025 0.000 1.043 360 S CB 0.358 63.458 63.200 -0.168 0.000 0.887 360 S HN 0.376 nan 8.310 nan 0.000 0.516 361 L N 4.217 125.452 121.223 0.020 0.000 2.438 361 L HA 0.719 5.059 4.340 0.000 0.000 0.270 361 L C -0.910 175.824 176.870 -0.227 0.000 0.972 361 L CA -0.681 54.082 54.840 -0.129 0.000 0.831 361 L CB 1.664 43.645 42.059 -0.130 0.000 1.273 361 L HN 0.471 nan 8.230 nan 0.000 0.405 362 V N 1.935 121.632 119.914 -0.361 0.000 2.715 362 V HA 0.768 4.888 4.120 0.000 0.000 0.310 362 V C -1.031 174.902 176.094 -0.268 0.000 1.054 362 V CA -0.700 61.300 62.300 -0.500 0.000 0.928 362 V CB 1.691 33.029 31.823 -0.807 0.000 1.007 362 V HN 0.829 nan 8.190 nan 0.000 0.437 363 F N 4.571 124.297 119.950 -0.374 0.000 2.591 363 F HA 0.878 5.405 4.527 0.000 0.000 0.309 363 F C -0.386 175.269 175.800 -0.241 0.000 1.098 363 F CA -0.215 57.645 58.000 -0.234 0.000 0.937 363 F CB 1.569 40.478 39.000 -0.153 0.000 1.250 363 F HN 1.212 nan 8.300 nan 0.000 0.447 364 C N 2.807 121.389 119.300 -1.197 0.000 3.320 364 C HA 0.791 5.251 4.460 0.000 0.000 0.335 364 C C -1.607 172.791 174.990 -0.986 0.000 1.430 364 C CA -0.722 57.627 59.018 -1.115 0.000 1.271 364 C CB 1.645 28.979 27.740 -0.676 0.000 1.609 364 C HN 0.977 nan 8.230 nan 0.000 0.457 365 Q N 0.409 119.885 119.800 -0.539 0.000 2.399 365 Q HA 0.812 5.152 4.340 0.000 0.000 0.276 365 Q C -0.509 175.506 176.000 0.025 0.000 1.098 365 Q CA -0.271 55.443 55.803 -0.148 0.000 0.827 365 Q CB 2.707 31.353 28.738 -0.153 0.000 1.386 365 Q HN 0.948 nan 8.270 nan 0.000 0.443 366 T N -2.720 111.920 114.554 0.143 0.000 2.916 366 T HA 0.701 5.051 4.350 0.000 0.000 0.292 366 T C -0.688 174.058 174.700 0.078 0.000 1.064 366 T CA -0.729 61.429 62.100 0.096 0.000 1.011 366 T CB 1.223 70.162 68.868 0.119 0.000 1.152 366 T HN 0.260 nan 8.240 nan 0.000 0.510 367 V N 2.439 122.368 119.914 0.025 0.000 2.384 367 V HA 0.424 4.544 4.120 0.000 0.000 0.287 367 V C 0.315 176.414 176.094 0.007 0.000 1.020 367 V CA -0.915 61.393 62.300 0.013 0.000 0.850 367 V CB 1.176 32.996 31.823 -0.005 0.000 0.987 367 V HN 1.030 nan 8.190 nan 0.000 0.436 368 M N 4.732 124.344 119.600 0.021 0.000 2.245 368 M HA 0.089 4.569 4.480 0.000 0.000 0.335 368 M C 0.883 177.184 176.300 0.002 0.000 1.155 368 M CA 0.737 56.051 55.300 0.024 0.000 1.055 368 M CB 0.600 33.213 32.600 0.021 0.000 1.670 368 M HN 0.935 nan 8.290 nan 0.000 0.447 369 S N 2.394 118.093 115.700 -0.002 0.000 2.579 369 S HA 0.108 4.578 4.470 0.000 0.000 0.275 369 S C 1.014 175.610 174.600 -0.005 0.000 1.345 369 S CA -0.195 57.995 58.200 -0.017 0.000 1.031 369 S CB 0.597 63.782 63.200 -0.025 0.000 0.892 369 S HN 0.799 nan 8.310 nan 0.000 0.529 370 T N 1.636 116.183 114.554 -0.011 0.000 2.720 370 T HA -0.144 4.206 4.350 0.000 0.000 0.268 370 T C 1.666 176.370 174.700 0.006 0.000 1.037 370 T CA 1.893 63.992 62.100 -0.002 0.000 1.144 370 T CB -0.511 68.353 68.868 -0.007 0.000 0.864 370 T HN 0.747 nan 8.240 nan 0.000 0.444 371 E N 0.595 120.796 120.200 0.001 0.000 2.049 371 E HA -0.119 4.231 4.350 0.000 0.000 0.198 371 E C 2.294 178.908 176.600 0.024 0.000 1.007 371 E CA 1.100 57.504 56.400 0.007 0.000 0.809 371 E CB -0.332 29.364 29.700 -0.005 0.000 0.749 371 E HN 0.435 nan 8.360 nan 0.000 0.450 372 L N 0.734 121.973 121.223 0.027 0.000 2.046 372 L HA -0.214 4.126 4.340 0.000 0.000 0.208 372 L C 2.488 179.395 176.870 0.062 0.000 1.077 372 L CA 0.543 55.414 54.840 0.052 0.000 0.747 372 L CB -0.368 41.723 42.059 0.053 0.000 0.896 372 L HN 0.201 nan 8.230 nan 0.000 0.432 373 I N 0.064 120.657 120.570 0.038 0.000 2.142 373 I HA -0.287 3.883 4.170 0.000 0.000 0.240 373 I C 2.208 178.353 176.117 0.047 0.000 1.078 373 I CA 1.575 62.894 61.300 0.032 0.000 1.343 373 I CB -1.162 36.846 38.000 0.014 0.000 1.046 373 I HN 0.276 nan 8.210 nan 0.000 0.405 374 D N 0.673 121.100 120.400 0.044 0.000 2.149 374 D HA -0.149 4.491 4.640 0.000 0.000 0.198 374 D C 2.357 178.703 176.300 0.076 0.000 0.990 374 D CA 1.670 55.701 54.000 0.052 0.000 0.839 374 D CB -0.157 40.665 40.800 0.037 0.000 0.948 374 D HN 0.387 nan 8.370 nan 0.000 0.460 375 S N -0.113 115.641 115.700 0.090 0.000 2.442 375 S HA -0.108 4.362 4.470 0.000 0.000 0.236 375 S C 2.138 176.875 174.600 0.229 0.000 1.007 375 S CA 0.660 58.942 58.200 0.137 0.000 0.965 375 S CB -0.462 62.812 63.200 0.123 0.000 0.773 375 S HN 0.086 nan 8.310 nan 0.000 0.504 376 V N 3.019 123.048 119.914 0.192 0.000 2.392 376 V HA -0.169 3.951 4.120 0.000 0.000 0.249 376 V C 2.206 178.426 176.094 0.210 0.000 1.059 376 V CA 2.141 64.580 62.300 0.233 0.000 1.051 376 V CB -0.814 31.058 31.823 0.082 0.000 0.658 376 V HN 0.821 nan 8.190 nan 0.000 0.455 377 K N 0.361 120.846 120.400 0.141 0.000 2.570 377 K HA 0.166 4.486 4.320 0.000 0.000 0.210 377 K C 1.516 178.180 176.600 0.106 0.000 1.048 377 K CA 0.667 57.022 56.287 0.115 0.000 1.167 377 K CB 0.151 32.702 32.500 0.085 0.000 0.892 377 K HN 0.436 nan 8.250 nan 0.000 0.480 378 S N 0.521 116.303 115.700 0.136 0.000 2.419 378 S HA -0.148 4.322 4.470 0.000 0.000 0.233 378 S C 0.914 175.538 174.600 0.040 0.000 1.016 378 S CA 1.188 59.433 58.200 0.076 0.000 0.974 378 S CB -0.183 63.049 63.200 0.053 0.000 0.786 378 S HN 0.314 nan 8.310 nan 0.000 0.492 379 D N 0.657 121.093 120.400 0.060 0.000 2.349 379 D HA 0.244 4.884 4.640 0.000 0.000 0.214 379 D C 0.160 176.503 176.300 0.071 0.000 1.063 379 D CA 0.251 54.273 54.000 0.037 0.000 0.847 379 D CB 0.057 40.868 40.800 0.018 0.000 0.933 379 D HN 0.387 nan 8.370 nan 0.000 0.513 380 M N 0.393 120.035 119.600 0.069 0.000 2.249 380 M HA 0.237 4.717 4.480 0.000 0.000 0.351 380 M C 0.218 176.541 176.300 0.040 0.000 1.180 380 M CA 0.092 55.435 55.300 0.073 0.000 1.127 380 M CB 1.106 33.742 32.600 0.061 0.000 1.546 380 M HN -0.329 nan 8.290 nan 0.000 0.461 381 T N 4.097 118.666 114.554 0.026 0.000 2.743 381 T HA 0.655 5.005 4.350 0.000 0.000 0.292 381 T C -0.126 174.548 174.700 -0.044 0.000 0.972 381 T CA -0.305 61.792 62.100 -0.006 0.000 0.967 381 T CB 0.494 69.356 68.868 -0.009 0.000 0.926 381 T HN 0.427 nan 8.240 nan 0.000 0.459 382 I N 4.768 125.308 120.570 -0.050 0.000 2.389 382 I HA 0.503 4.674 4.170 0.000 0.000 0.288 382 I C 0.171 176.239 176.117 -0.081 0.000 0.999 382 I CA -0.681 60.557 61.300 -0.104 0.000 1.129 382 I CB 1.101 39.081 38.000 -0.033 0.000 1.288 382 I HN 0.568 nan 8.210 nan 0.000 0.444 383 R N 4.676 125.092 120.500 -0.140 0.000 2.808 383 R HA 0.940 5.280 4.340 0.000 0.000 0.272 383 R C -0.155 176.141 176.300 -0.007 0.000 0.995 383 R CA -0.734 55.336 56.100 -0.050 0.000 0.917 383 R CB 1.748 32.023 30.300 -0.041 0.000 1.217 383 R HN 0.736 nan 8.270 nan 0.000 0.471 384 G N 0.575 109.422 108.800 0.078 0.000 2.828 384 G HA2 -0.156 3.804 3.960 0.000 0.000 0.463 384 G HA3 -0.156 3.804 3.960 0.000 0.000 0.463 384 G C -0.955 174.106 174.900 0.268 0.000 1.394 384 G CA -0.279 44.916 45.100 0.158 0.000 0.862 384 G HN 0.769 nan 8.290 nan 0.000 0.540 385 T N 2.472 117.150 114.554 0.207 0.000 2.855 385 T HA 0.669 5.019 4.350 0.000 0.000 0.281 385 T C -2.490 172.162 174.700 -0.079 0.000 1.007 385 T CA -0.905 61.262 62.100 0.112 0.000 1.009 385 T CB 2.102 70.991 68.868 0.034 0.000 0.983 385 T HN 0.535 nan 8.240 nan 0.000 0.455 386 P HA 0.144 nan 4.420 nan 0.000 0.264 386 P C 1.181 178.271 177.300 -0.351 0.000 1.179 386 P CA 1.262 63.839 63.100 -0.873 0.000 0.763 386 P CB 0.175 31.462 31.700 -0.687 0.000 0.806 387 G N 0.955 109.594 108.800 -0.267 0.000 2.320 387 G HA2 -0.234 3.726 3.960 0.000 0.000 0.242 387 G HA3 -0.234 3.726 3.960 0.000 0.000 0.242 387 G C 0.279 175.153 174.900 -0.044 0.000 1.033 387 G CA 0.370 45.402 45.100 -0.113 0.000 0.620 387 G HN 0.716 nan 8.290 nan 0.000 0.517 388 E N 1.086 121.270 120.200 -0.026 0.000 2.342 388 E HA 0.540 4.890 4.350 0.000 0.000 0.257 388 E C 1.182 177.813 176.600 0.051 0.000 1.150 388 E CA -0.768 55.641 56.400 0.016 0.000 0.926 388 E CB 0.759 30.472 29.700 0.022 0.000 1.074 388 E HN 0.046 nan 8.360 nan 0.000 0.449 389 L N 1.036 122.285 121.223 0.045 0.000 2.141 389 L HA -0.085 4.255 4.340 0.000 0.000 0.209 389 L C 2.090 178.998 176.870 0.063 0.000 1.094 389 L CA 2.118 56.986 54.840 0.046 0.000 0.763 389 L CB -1.080 40.996 42.059 0.029 0.000 0.908 389 L HN 0.837 nan 8.230 nan 0.000 0.437 390 T N -4.646 109.952 114.554 0.073 0.000 3.186 390 T HA 0.055 4.405 4.350 0.000 0.000 0.257 390 T C 0.292 175.054 174.700 0.102 0.000 1.029 390 T CA -0.449 61.691 62.100 0.066 0.000 0.916 390 T CB -0.739 68.154 68.868 0.041 0.000 1.041 390 T HN 0.020 nan 8.240 nan 0.000 0.562 391 Y N 2.370 122.669 120.300 -0.001 0.000 2.465 391 Y HA 0.471 5.021 4.550 0.000 0.000 0.331 391 Y C 0.050 175.950 175.900 0.001 0.000 1.102 391 Y CA -0.525 57.575 58.100 0.000 0.000 1.358 391 Y CB 0.436 38.895 38.460 -0.003 0.000 1.213 391 Y HN 0.177 nan 8.280 nan 0.000 0.525 392 S N 4.875 120.313 115.700 -0.438 0.000 2.571 392 S HA 0.706 5.176 4.470 0.000 0.000 0.284 392 S C -1.764 172.545 174.600 -0.484 0.000 1.128 392 S CA -0.691 57.294 58.200 -0.358 0.000 0.970 392 S CB 0.916 64.017 63.200 -0.164 0.000 1.039 392 S HN 0.449 nan 8.310 nan 0.000 0.485 393 V N 4.415 124.122 119.914 -0.344 0.000 2.444 393 V HA 0.724 4.844 4.120 0.000 0.000 0.294 393 V C 0.024 176.080 176.094 -0.062 0.000 1.022 393 V CA -0.514 61.660 62.300 -0.210 0.000 0.850 393 V CB 1.508 33.240 31.823 -0.151 0.000 0.992 393 V HN 1.003 nan 8.190 nan 0.000 0.426 394 T N 1.721 116.265 114.554 -0.017 0.000 2.883 394 T HA 0.851 5.201 4.350 0.000 0.000 0.296 394 T C -1.048 173.729 174.700 0.128 0.000 1.117 394 T CA -0.766 61.355 62.100 0.035 0.000 1.006 394 T CB 2.249 71.091 68.868 -0.042 0.000 1.191 394 T HN 0.764 nan 8.240 nan 0.000 0.508 395 Y N -1.605 118.684 120.300 -0.018 0.000 2.581 395 Y HA 0.771 5.321 4.550 0.000 0.000 0.345 395 Y C -0.773 175.119 175.900 -0.013 0.000 1.036 395 Y CA -1.330 56.762 58.100 -0.012 0.000 1.042 395 Y CB 0.922 39.383 38.460 0.001 0.000 1.289 395 Y HN 0.648 nan 8.280 nan 0.000 0.471 396 T N 4.815 119.341 114.554 -0.046 0.000 2.762 396 T HA 0.373 4.723 4.350 0.000 0.000 0.303 396 T C -2.699 171.981 174.700 -0.033 0.000 0.977 396 T CA -1.229 60.796 62.100 -0.126 0.000 0.961 396 T CB 0.515 69.360 68.868 -0.039 0.000 0.944 396 T HN 0.391 nan 8.240 nan 0.000 0.481 397 P HA 0.237 nan 4.420 nan 0.000 0.266 397 P C 1.216 178.544 177.300 0.045 0.000 1.195 397 P CA 0.844 63.981 63.100 0.062 0.000 0.768 397 P CB 0.464 32.156 31.700 -0.014 0.000 0.838 398 G N 2.164 111.006 108.800 0.069 0.000 2.812 398 G HA2 -0.296 3.665 3.960 0.000 0.000 0.219 398 G HA3 -0.296 3.665 3.960 0.000 0.000 0.219 398 G C 0.474 175.383 174.900 0.014 0.000 1.275 398 G CA 0.086 45.204 45.100 0.031 0.000 0.769 398 G HN 0.860 nan 8.290 nan 0.000 0.527 399 A N 0.985 123.813 122.820 0.012 0.000 2.589 399 A HA 0.369 4.689 4.320 0.000 0.000 0.265 399 A C 1.899 179.472 177.584 -0.019 0.000 0.973 399 A CA 1.838 53.873 52.037 -0.003 0.000 0.902 399 A CB -0.257 18.745 19.000 0.004 0.000 0.846 399 A HN 2.158 nan 8.150 nan 0.000 0.489 400 S N 2.188 117.873 115.700 -0.025 0.000 2.440 400 S HA -0.200 4.270 4.470 0.000 0.000 0.238 400 S C 1.536 176.103 174.600 -0.054 0.000 1.010 400 S CA 1.730 59.908 58.200 -0.037 0.000 0.972 400 S CB -0.949 62.234 63.200 -0.030 0.000 0.774 400 S HN 1.277 nan 8.310 nan 0.000 0.501 401 T N -0.603 113.920 114.554 -0.051 0.000 3.055 401 T HA 0.115 4.465 4.350 0.000 0.000 0.265 401 T C 0.543 175.187 174.700 -0.093 0.000 1.111 401 T CA -0.076 61.985 62.100 -0.064 0.000 1.118 401 T CB -0.690 68.149 68.868 -0.048 0.000 0.909 401 T HN 0.250 nan 8.240 nan 0.000 0.501 402 N N 2.498 121.143 118.700 -0.091 0.000 2.411 402 N HA 0.079 4.819 4.740 0.000 0.000 0.261 402 N C 0.984 176.344 175.510 -0.251 0.000 1.248 402 N CA 0.041 53.011 53.050 -0.134 0.000 0.885 402 N CB 0.753 39.188 38.487 -0.086 0.000 1.062 402 N HN 0.347 nan 8.380 nan 0.000 0.471 403 K N 1.601 121.758 120.400 -0.404 0.000 2.418 403 K HA 0.019 4.339 4.320 0.000 0.000 0.195 403 K C -0.072 175.902 176.600 -1.044 0.000 1.035 403 K CA 0.712 56.592 56.287 -0.678 0.000 1.003 403 K CB 0.155 32.194 32.500 -0.769 0.000 0.793 403 K HN 0.581 nan 8.250 nan 0.000 0.494 404 H N 0.266 119.022 119.070 -0.524 0.000 2.747 404 H HA 0.303 4.859 4.556 0.000 0.000 0.371 404 H C -2.484 172.518 175.328 -0.543 0.000 1.161 404 H CA -2.523 53.056 56.048 -0.781 0.000 1.167 404 H CB 1.383 30.252 29.762 -1.488 0.000 1.732 404 H HN -0.154 nan 8.280 nan 0.000 0.544 405 P HA -0.031 nan 4.420 nan 0.000 0.269 405 P C 0.396 177.473 177.300 -0.372 0.000 1.215 405 P CA -0.098 62.778 63.100 -0.373 0.000 0.780 405 P CB 1.223 32.618 31.700 -0.507 0.000 0.898 406 D N 1.304 121.624 120.400 -0.133 0.000 2.149 406 D HA -0.180 4.460 4.640 0.000 0.000 0.194 406 D C 1.948 178.237 176.300 -0.019 0.000 1.001 406 D CA 1.414 55.417 54.000 0.005 0.000 0.849 406 D CB -0.562 40.346 40.800 0.179 0.000 0.939 406 D HN 0.630 nan 8.370 nan 0.000 0.449 407 W N 0.358 121.726 121.300 0.113 0.000 2.342 407 W HA -0.175 4.485 4.660 0.000 0.000 0.297 407 W C 1.970 178.562 176.519 0.123 0.000 1.213 407 W CA 0.429 57.838 57.345 0.108 0.000 1.251 407 W CB -1.373 28.145 29.460 0.098 0.000 1.136 407 W HN 0.112 nan 8.180 nan 0.000 0.526 408 W N 3.367 124.148 121.300 -0.864 0.000 2.441 408 W HA -0.107 4.553 4.660 0.000 0.000 0.302 408 W C 1.874 178.113 176.519 -0.466 0.000 1.191 408 W CA 1.493 58.368 57.345 -0.783 0.000 1.327 408 W CB -1.069 27.681 29.460 -1.183 0.000 1.128 408 W HN -0.141 nan 8.180 nan 0.000 0.522 409 N N 1.152 119.753 118.700 -0.166 0.000 2.166 409 N HA -0.200 4.540 4.740 0.000 0.000 0.186 409 N C 1.501 176.697 175.510 -0.524 0.000 1.019 409 N CA 1.912 54.667 53.050 -0.492 0.000 0.856 409 N CB -0.612 37.187 38.487 -1.148 0.000 0.993 409 N HN 0.221 nan 8.380 nan 0.000 0.426 410 E N 1.613 121.637 120.200 -0.292 0.000 2.051 410 E HA -0.087 4.263 4.350 0.000 0.000 0.192 410 E C 1.591 178.232 176.600 0.069 0.000 0.991 410 E CA 1.364 57.800 56.400 0.059 0.000 0.799 410 E CB 0.011 29.823 29.700 0.185 0.000 0.748 410 E HN 0.236 nan 8.360 nan 0.000 0.449 411 K N -0.297 120.133 120.400 0.049 0.000 2.097 411 K HA -0.103 4.217 4.320 0.000 0.000 0.206 411 K C 2.155 178.758 176.600 0.006 0.000 1.049 411 K CA 1.416 57.726 56.287 0.039 0.000 0.933 411 K CB -0.181 32.336 32.500 0.028 0.000 0.717 411 K HN 0.079 nan 8.250 nan 0.000 0.442 412 V N 1.901 121.785 119.914 -0.049 0.000 2.323 412 V HA -0.229 3.891 4.120 0.000 0.000 0.244 412 V C 2.449 178.580 176.094 0.061 0.000 1.041 412 V CA 1.611 63.897 62.300 -0.024 0.000 1.025 412 V CB -0.406 31.389 31.823 -0.047 0.000 0.656 412 V HN 0.346 nan 8.190 nan 0.000 0.451 413 K N 0.300 120.732 120.400 0.053 0.000 2.032 413 K HA -0.260 4.060 4.320 0.000 0.000 0.209 413 K C 2.003 178.660 176.600 0.095 0.000 1.048 413 K CA 2.111 58.460 56.287 0.103 0.000 0.927 413 K CB -0.234 32.391 32.500 0.207 0.000 0.712 413 K HN 0.412 nan 8.250 nan 0.000 0.441 414 N N 0.248 119.009 118.700 0.100 0.000 2.142 414 N HA -0.175 4.565 4.740 0.000 0.000 0.186 414 N C 1.769 177.323 175.510 0.074 0.000 1.023 414 N CA 1.433 54.532 53.050 0.081 0.000 0.852 414 N CB -0.598 37.944 38.487 0.091 0.000 0.998 414 N HN 0.447 nan 8.380 nan 0.000 0.424 415 H N 0.607 119.693 119.070 0.027 0.000 2.321 415 H HA 0.083 4.640 4.556 0.000 0.000 0.300 415 H C 2.043 177.401 175.328 0.050 0.000 1.087 415 H CA 1.774 57.842 56.048 0.035 0.000 1.319 415 H CB -0.132 29.580 29.762 -0.084 0.000 1.379 415 H HN 0.094 nan 8.280 nan 0.000 0.501 416 M N -0.762 118.828 119.600 -0.017 0.000 2.229 416 M HA -0.129 4.351 4.480 0.000 0.000 0.264 416 M C 1.681 178.024 176.300 0.071 0.000 1.063 416 M CA 1.063 56.365 55.300 0.005 0.000 1.114 416 M CB 0.084 32.764 32.600 0.133 0.000 1.387 416 M HN 0.368 nan 8.290 nan 0.000 0.420 417 M N -0.610 119.016 119.600 0.043 0.000 2.334 417 M HA -0.059 4.421 4.480 0.000 0.000 0.266 417 M C 1.858 178.138 176.300 -0.033 0.000 1.082 417 M CA 1.305 56.644 55.300 0.064 0.000 1.141 417 M CB -0.773 31.849 32.600 0.035 0.000 1.380 417 M HN 0.197 nan 8.290 nan 0.000 0.440 418 Q N -0.571 119.135 119.800 -0.156 0.000 2.424 418 Q HA 0.040 4.380 4.340 0.000 0.000 0.204 418 Q C 0.017 175.652 176.000 -0.607 0.000 0.933 418 Q CA 0.775 56.372 55.803 -0.343 0.000 0.929 418 Q CB 0.348 28.860 28.738 -0.376 0.000 1.037 418 Q HN 0.535 nan 8.270 nan 0.000 0.511 419 H N 0.323 119.304 119.070 -0.149 0.000 2.429 419 H HA 0.245 4.801 4.556 0.000 0.000 0.231 419 H C 0.318 175.547 175.328 -0.166 0.000 1.416 419 H CA -0.091 55.875 56.048 -0.137 0.000 1.443 419 H CB 0.522 30.159 29.762 -0.209 0.000 1.591 419 H HN 0.195 nan 8.280 nan 0.000 0.507 420 Q N 0.632 120.400 119.800 -0.052 0.000 2.369 420 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 420 Q C 1.902 177.826 176.000 -0.126 0.000 0.963 420 Q CA 0.793 56.514 55.803 -0.138 0.000 0.894 420 Q CB 0.465 29.071 28.738 -0.220 0.000 0.965 420 Q HN 0.520 nan 8.270 nan 0.000 0.475 421 E N 1.545 121.727 120.200 -0.030 0.000 2.427 421 E HA -0.129 4.221 4.350 0.000 0.000 0.196 421 E C -0.404 176.217 176.600 0.035 0.000 1.028 421 E CA 0.566 56.964 56.400 -0.003 0.000 0.864 421 E CB 0.039 29.760 29.700 0.034 0.000 0.813 421 E HN 0.182 nan 8.360 nan 0.000 0.514 422 D N 2.084 122.521 120.400 0.062 0.000 2.249 422 D HA 0.107 4.747 4.640 0.000 0.000 0.246 422 D C -1.503 174.845 176.300 0.080 0.000 1.114 422 D CA -2.054 52.017 54.000 0.117 0.000 0.854 422 D CB 1.522 42.433 40.800 0.185 0.000 1.132 422 D HN -0.134 nan 8.370 nan 0.000 0.461 423 P HA 0.054 nan 4.420 nan 0.000 0.245 423 P C -0.258 177.084 177.300 0.071 0.000 1.212 423 P CA 0.321 63.456 63.100 0.059 0.000 0.774 423 P CB 0.350 32.076 31.700 0.045 0.000 0.999 424 L N 1.488 122.767 121.223 0.094 0.000 2.342 424 L HA 0.384 4.725 4.340 0.000 0.000 0.271 424 L C -1.557 175.349 176.870 0.061 0.000 1.008 424 L CA -2.289 52.578 54.840 0.045 0.000 0.818 424 L CB 2.803 44.855 42.059 -0.013 0.000 1.296 424 L HN -0.324 nan 8.230 nan 0.000 0.427 425 P HA 0.103 nan 4.420 nan 0.000 0.255 425 P C 0.163 177.326 177.300 -0.228 0.000 1.248 425 P CA 0.472 63.580 63.100 0.012 0.000 0.807 425 P CB 0.420 32.132 31.700 0.019 0.000 1.150 426 I N 2.895 123.233 120.570 -0.387 0.000 2.371 426 I HA 0.229 4.399 4.170 0.000 0.000 0.290 426 I C -2.058 173.575 176.117 -0.806 0.000 1.028 426 I CA -2.874 58.150 61.300 -0.461 0.000 1.345 426 I CB 0.872 38.691 38.000 -0.301 0.000 1.407 426 I HN -0.221 nan 8.210 nan 0.000 0.501 427 P HA -0.015 nan 4.420 nan 0.000 0.267 427 P C 0.369 177.442 177.300 -0.379 0.000 1.200 427 P CA 0.056 62.796 63.100 -0.600 0.000 0.772 427 P CB 0.384 31.964 31.700 -0.200 0.000 0.855 428 F N 0.720 120.574 119.950 -0.159 0.000 2.171 428 F HA -0.121 4.406 4.527 0.000 0.000 0.300 428 F C 1.781 177.545 175.800 -0.060 0.000 1.090 428 F CA 1.601 59.540 58.000 -0.102 0.000 1.293 428 F CB -0.880 38.073 39.000 -0.078 0.000 1.013 428 F HN 0.395 nan 8.300 nan 0.000 0.486 429 E N -0.283 120.004 120.200 0.145 0.000 2.437 429 E HA 0.010 4.360 4.350 0.000 0.000 0.195 429 E C -0.299 176.324 176.600 0.039 0.000 1.029 429 E CA -0.256 56.199 56.400 0.091 0.000 0.948 429 E CB -0.237 29.519 29.700 0.093 0.000 1.082 429 E HN 0.172 nan 8.360 nan 0.000 0.456 430 D N 2.738 123.136 120.400 -0.002 0.000 2.472 430 D HA 0.006 4.646 4.640 0.000 0.000 0.248 430 D C -2.178 174.139 176.300 0.028 0.000 1.174 430 D CA -1.421 52.565 54.000 -0.023 0.000 0.883 430 D CB 0.768 41.513 40.800 -0.093 0.000 1.149 430 D HN -0.098 nan 8.370 nan 0.000 0.488 431 P HA 0.048 nan 4.420 nan 0.000 0.271 431 P C -0.522 176.891 177.300 0.188 0.000 1.244 431 P CA -0.326 62.869 63.100 0.158 0.000 0.793 431 P CB 0.352 32.165 31.700 0.189 0.000 0.984 432 E N 1.077 121.414 120.200 0.229 0.000 2.442 432 E HA 0.049 4.399 4.350 0.000 0.000 0.262 432 E C -2.109 174.522 176.600 0.051 0.000 1.004 432 E CA -1.418 55.037 56.400 0.091 0.000 0.928 432 E CB -1.184 28.514 29.700 -0.004 0.000 0.937 432 E HN 0.331 nan 8.360 nan 0.000 0.446 433 P HA 0.088 nan 4.420 nan 0.000 0.275 433 P C -0.389 176.920 177.300 0.015 0.000 1.228 433 P CA -0.076 63.098 63.100 0.124 0.000 0.786 433 P CB 0.612 32.339 31.700 0.044 0.000 0.927 434 Q N 1.196 121.099 119.800 0.172 0.000 3.662 434 Q HA 0.305 4.645 4.340 0.000 0.000 0.237 434 Q C -1.026 175.070 176.000 0.160 0.000 0.895 434 Q CA -0.311 55.471 55.803 -0.035 0.000 0.767 434 Q CB 1.214 29.692 28.738 -0.435 0.000 1.469 434 Q HN 0.188 nan 8.270 nan 0.000 0.424 435 V N 0.587 120.557 119.914 0.094 0.000 2.667 435 V HA 0.749 4.869 4.120 0.000 0.000 0.308 435 V C 0.167 176.287 176.094 0.043 0.000 1.048 435 V CA -0.407 61.953 62.300 0.099 0.000 0.928 435 V CB 2.075 33.903 31.823 0.008 0.000 1.004 435 V HN 0.473 nan 8.190 nan 0.000 0.444 436 T N 1.478 116.087 114.554 0.092 0.000 2.894 436 T HA 0.485 4.835 4.350 0.000 0.000 0.309 436 T C -0.966 173.677 174.700 -0.094 0.000 1.208 436 T CA -0.324 61.767 62.100 -0.014 0.000 1.016 436 T CB 1.901 70.750 68.868 -0.032 0.000 1.192 436 T HN 0.835 nan 8.240 nan 0.000 0.491 437 T N 4.420 118.751 114.554 -0.372 0.000 2.772 437 T HA 0.603 4.953 4.350 0.000 0.000 0.288 437 T C -0.032 174.518 174.700 -0.249 0.000 0.994 437 T CA -0.606 61.116 62.100 -0.631 0.000 0.951 437 T CB -0.215 67.791 68.868 -1.437 0.000 0.933 437 T HN 0.530 nan 8.240 nan 0.000 0.447 438 L N 4.355 125.514 121.223 -0.106 0.000 2.473 438 L HA 0.359 4.699 4.340 0.000 0.000 0.268 438 L C 0.777 177.649 176.870 0.002 0.000 1.215 438 L CA -0.837 54.024 54.840 0.034 0.000 0.823 438 L CB 0.134 42.214 42.059 0.034 0.000 1.099 438 L HN 0.613 nan 8.230 nan 0.000 0.483 439 F N 2.616 122.493 119.950 -0.122 0.000 2.604 439 F HA -0.059 4.468 4.527 0.000 0.000 0.390 439 F C 0.247 175.791 175.800 -0.427 0.000 1.053 439 F CA 0.560 58.397 58.000 -0.271 0.000 1.256 439 F CB 0.102 38.992 39.000 -0.183 0.000 0.996 439 F HN 0.381 nan 8.300 nan 0.000 0.564 440 Q N 6.675 125.931 119.800 -0.905 0.000 2.456 440 Q HA 0.255 4.595 4.340 0.000 0.000 0.284 440 Q C -2.005 173.494 176.000 -0.836 0.000 1.061 440 Q CA -1.823 53.552 55.803 -0.714 0.000 0.799 440 Q CB 1.474 29.707 28.738 -0.841 0.000 1.445 440 Q HN 0.258 nan 8.270 nan 0.000 0.411 441 P HA -0.216 nan 4.420 nan 0.000 0.217 441 P C 1.137 178.197 177.300 -0.399 0.000 1.151 441 P CA 2.124 65.028 63.100 -0.326 0.000 0.849 441 P CB 0.249 31.863 31.700 -0.143 0.000 0.787 442 S N -1.802 113.670 115.700 -0.379 0.000 2.562 442 S HA -0.088 4.382 4.470 0.000 0.000 0.221 442 S C 0.452 174.850 174.600 -0.338 0.000 0.975 442 S CA 0.154 58.206 58.200 -0.247 0.000 0.918 442 S CB -1.233 61.930 63.200 -0.062 0.000 0.772 442 S HN 0.437 nan 8.310 nan 0.000 0.531 443 H N -1.481 117.120 119.070 -0.781 0.000 2.643 443 H HA 0.441 4.997 4.556 0.000 0.000 0.229 443 H C -3.277 170.876 175.328 -1.958 0.000 1.410 443 H CA -1.636 53.548 56.048 -1.440 0.000 1.458 443 H CB 0.322 29.566 29.762 -0.863 0.000 1.792 443 H HN 0.061 nan 8.280 nan 0.000 0.563 444 P HA 0.095 nan 4.420 nan 0.000 0.225 444 P C -1.286 175.401 177.300 -1.022 0.000 1.813 444 P CA 0.197 62.144 63.100 -1.923 0.000 1.013 444 P CB -1.014 30.095 31.700 -0.986 0.000 1.961 445 W N -0.074 120.941 121.300 -0.476 0.000 3.296 445 W HA 0.474 5.134 4.660 0.000 0.000 0.314 445 W C -0.808 175.803 176.519 0.152 0.000 1.238 445 W CA -1.231 56.149 57.345 0.058 0.000 1.193 445 W CB -0.003 29.498 29.460 0.068 0.000 1.383 445 W HN 0.028 nan 8.180 nan 0.000 0.545 446 H N 1.260 120.599 119.070 0.448 0.000 2.551 446 H HA 0.678 5.234 4.556 0.000 0.000 0.358 446 H C -0.072 175.432 175.328 0.293 0.000 1.151 446 H CA 0.639 56.852 56.048 0.275 0.000 1.374 446 H CB 1.341 31.190 29.762 0.145 0.000 1.473 446 H HN 0.557 nan 8.280 nan 0.000 0.574 447 T N 2.142 116.359 114.554 -0.561 0.000 2.893 447 T HA 0.509 4.859 4.350 0.000 0.000 0.293 447 T C -0.736 173.688 174.700 -0.460 0.000 1.027 447 T CA -1.128 60.686 62.100 -0.476 0.000 0.988 447 T CB 1.699 70.165 68.868 -0.670 0.000 1.043 447 T HN 0.671 nan 8.240 nan 0.000 0.461 448 Q N 1.582 121.321 119.800 -0.102 0.000 2.285 448 Q HA 0.588 4.928 4.340 0.000 0.000 0.269 448 Q C -1.294 174.610 176.000 -0.160 0.000 1.030 448 Q CA -0.658 54.997 55.803 -0.247 0.000 0.788 448 Q CB 2.686 31.159 28.738 -0.442 0.000 1.266 448 Q HN 0.714 nan 8.270 nan 0.000 0.438 449 I N 3.618 124.057 120.570 -0.218 0.000 2.521 449 I HA 0.368 4.538 4.170 0.000 0.000 0.277 449 I C -0.513 175.503 176.117 -0.168 0.000 1.054 449 I CA -0.282 60.771 61.300 -0.411 0.000 1.117 449 I CB 0.590 38.216 38.000 -0.623 0.000 1.217 449 I HN 0.761 nan 8.210 nan 0.000 0.469 450 H N 3.784 122.679 119.070 -0.291 0.000 3.001 450 H HA 0.662 5.219 4.556 0.000 0.000 0.266 450 H C -1.232 174.024 175.328 -0.120 0.000 1.532 450 H CA -1.373 54.572 56.048 -0.171 0.000 1.187 450 H CB 1.443 31.128 29.762 -0.130 0.000 1.881 450 H HN 0.124 nan 8.280 nan 0.000 0.643 451 R N 1.369 121.719 120.500 -0.250 0.000 2.532 451 R HA 0.272 4.612 4.340 0.000 0.000 0.297 451 R C -1.560 174.531 176.300 -0.348 0.000 0.984 451 R CA -0.628 55.294 56.100 -0.296 0.000 0.884 451 R CB 1.832 32.079 30.300 -0.088 0.000 1.182 451 R HN 0.884 nan 8.270 nan 0.000 0.442 452 D N 0.636 120.824 120.400 -0.353 0.000 2.497 452 D HA 0.487 5.127 4.640 0.000 0.000 0.243 452 D C -0.391 175.895 176.300 -0.024 0.000 1.039 452 D CA -0.864 53.025 54.000 -0.186 0.000 1.052 452 D CB 0.623 41.325 40.800 -0.163 0.000 1.344 452 D HN 0.394 nan 8.370 nan 0.000 0.553 453 A N -0.320 122.511 122.820 0.018 0.000 2.540 453 A HA 0.398 4.718 4.320 0.000 0.000 0.239 453 A C -0.797 176.855 177.584 0.112 0.000 1.061 453 A CA 0.090 52.187 52.037 0.100 0.000 0.758 453 A CB -0.584 18.508 19.000 0.153 0.000 0.991 453 A HN 0.482 nan 8.150 nan 0.000 0.502 454 F N 1.655 121.552 119.950 -0.089 0.000 2.601 454 F HA 0.521 5.048 4.527 0.000 0.000 0.309 454 F C 0.319 175.939 175.800 -0.300 0.000 1.089 454 F CA -0.170 57.658 58.000 -0.287 0.000 0.940 454 F CB 2.086 40.776 39.000 -0.516 0.000 1.273 454 F HN 0.576 nan 8.300 nan 0.000 0.450 455 S N 4.363 119.492 115.700 -0.951 0.000 2.415 455 S HA 0.433 4.903 4.470 0.000 0.000 0.313 455 S C -1.284 173.023 174.600 -0.488 0.000 1.067 455 S CA -0.367 57.506 58.200 -0.544 0.000 1.099 455 S CB -0.417 62.551 63.200 -0.387 0.000 0.991 455 S HN 0.477 nan 8.310 nan 0.000 0.491 456 Y N 2.667 123.023 120.300 0.094 0.000 2.335 456 Y HA 0.488 5.038 4.550 0.000 0.000 0.331 456 Y C 1.534 177.501 175.900 0.111 0.000 1.094 456 Y CA 0.248 58.495 58.100 0.244 0.000 1.253 456 Y CB 0.589 39.191 38.460 0.238 0.000 1.203 456 Y HN 0.890 nan 8.280 nan 0.000 0.508 457 G N 1.287 110.245 108.800 0.264 0.000 2.690 457 G HA2 0.218 4.178 3.960 0.000 0.000 0.239 457 G HA3 0.218 4.178 3.960 0.000 0.000 0.239 457 G C 0.952 175.942 174.900 0.151 0.000 1.233 457 G CA -0.001 45.194 45.100 0.158 0.000 0.847 457 G HN 0.930 nan 8.290 nan 0.000 0.588 458 A N 0.667 123.544 122.820 0.095 0.000 1.892 458 A HA -0.085 4.235 4.320 0.000 0.000 0.218 458 A C 2.592 180.219 177.584 0.073 0.000 1.188 458 A CA 2.161 54.243 52.037 0.074 0.000 0.631 458 A CB -0.664 18.366 19.000 0.050 0.000 0.822 458 A HN 0.622 nan 8.150 nan 0.000 0.447 459 V N -0.154 119.805 119.914 0.075 0.000 2.358 459 V HA -0.307 3.813 4.120 0.000 0.000 0.246 459 V C 2.633 178.773 176.094 0.077 0.000 1.047 459 V CA 2.251 64.591 62.300 0.066 0.000 1.035 459 V CB -0.900 30.960 31.823 0.061 0.000 0.658 459 V HN 0.662 nan 8.190 nan 0.000 0.452 460 Q N -0.446 119.430 119.800 0.126 0.000 2.170 460 Q HA -0.244 4.096 4.340 0.000 0.000 0.203 460 Q C 2.201 178.230 176.000 0.048 0.000 0.976 460 Q CA 1.379 57.267 55.803 0.142 0.000 0.858 460 Q CB -0.222 28.712 28.738 0.327 0.000 0.907 460 Q HN 0.688 nan 8.270 nan 0.000 0.433 461 Q N -0.135 119.704 119.800 0.065 0.000 2.508 461 Q HA -0.087 4.253 4.340 0.000 0.000 0.214 461 Q C 1.856 177.845 176.000 -0.018 0.000 0.979 461 Q CA 0.622 56.421 55.803 -0.005 0.000 0.911 461 Q CB -0.039 28.726 28.738 0.045 0.000 0.969 461 Q HN 0.148 nan 8.270 nan 0.000 0.504 462 S N -0.078 115.623 115.700 0.001 0.000 2.481 462 S HA -0.009 4.461 4.470 0.000 0.000 0.231 462 S C 0.782 175.371 174.600 -0.018 0.000 0.996 462 S CA 0.139 58.338 58.200 -0.002 0.000 0.942 462 S CB 0.238 63.445 63.200 0.011 0.000 0.768 462 S HN 0.166 nan 8.310 nan 0.000 0.520 463 I N 2.761 123.308 120.570 -0.038 0.000 2.395 463 I HA 0.219 4.389 4.170 0.000 0.000 0.289 463 I C 0.415 176.484 176.117 -0.079 0.000 1.023 463 I CA -0.649 60.620 61.300 -0.050 0.000 1.350 463 I CB 0.729 38.699 38.000 -0.050 0.000 1.409 463 I HN 0.167 nan 8.210 nan 0.000 0.507 464 D N 4.320 124.692 120.400 -0.046 0.000 2.450 464 D HA -0.042 4.598 4.640 0.000 0.000 0.247 464 D C 1.150 177.409 176.300 -0.070 0.000 1.162 464 D CA 0.112 54.090 54.000 -0.037 0.000 0.879 464 D CB 1.187 41.988 40.800 0.002 0.000 1.163 464 D HN 0.640 nan 8.370 nan 0.000 0.472 465 S N 4.099 119.747 115.700 -0.087 0.000 2.469 465 S HA -0.152 4.318 4.470 0.000 0.000 0.238 465 S C 1.652 176.221 174.600 -0.052 0.000 0.998 465 S CA 0.467 58.598 58.200 -0.115 0.000 0.957 465 S CB -0.016 63.123 63.200 -0.102 0.000 0.764 465 S HN 0.536 nan 8.310 nan 0.000 0.514 466 R N 0.746 121.231 120.500 -0.025 0.000 2.193 466 R HA 0.179 4.519 4.340 0.000 0.000 0.229 466 R C 1.758 178.041 176.300 -0.029 0.000 1.110 466 R CA 0.986 57.070 56.100 -0.026 0.000 0.988 466 R CB -0.517 29.759 30.300 -0.039 0.000 0.871 466 R HN 0.448 nan 8.270 nan 0.000 0.458 467 L N 0.251 121.458 121.223 -0.027 0.000 2.418 467 L HA 0.094 4.434 4.340 0.000 0.000 0.218 467 L C 0.663 177.533 176.870 0.000 0.000 1.125 467 L CA 0.325 55.156 54.840 -0.015 0.000 0.835 467 L CB 0.070 42.119 42.059 -0.017 0.000 0.953 467 L HN 0.071 nan 8.230 nan 0.000 0.454 468 I N -0.168 120.396 120.570 -0.009 0.000 2.392 468 I HA 0.270 4.440 4.170 0.000 0.000 0.295 468 I C -0.619 175.516 176.117 0.029 0.000 0.985 468 I CA -0.424 60.885 61.300 0.014 0.000 1.221 468 I CB 2.088 40.079 38.000 -0.014 0.000 1.366 468 I HN -0.323 nan 8.210 nan 0.000 0.467 469 V N 4.820 124.774 119.914 0.067 0.000 2.638 469 V HA 0.309 4.429 4.120 0.000 0.000 0.306 469 V C -0.879 175.220 176.094 0.007 0.000 1.052 469 V CA -0.850 61.455 62.300 0.008 0.000 0.885 469 V CB 2.103 33.940 31.823 0.023 0.000 0.999 469 V HN 0.588 nan 8.190 nan 0.000 0.424 470 D N 2.960 123.297 120.400 -0.104 0.000 2.255 470 D HA 0.389 5.029 4.640 0.000 0.000 0.249 470 D C -0.924 175.295 176.300 -0.134 0.000 1.078 470 D CA 0.154 54.123 54.000 -0.051 0.000 0.896 470 D CB 1.104 41.875 40.800 -0.048 0.000 1.194 470 D HN 0.428 nan 8.370 nan 0.000 0.429 471 W N 1.516 122.777 121.300 -0.064 0.000 2.538 471 W HA 0.450 5.110 4.660 0.000 0.000 0.322 471 W C 0.273 176.784 176.519 -0.014 0.000 1.028 471 W CA -0.857 56.474 57.345 -0.023 0.000 1.228 471 W CB 1.226 30.557 29.460 -0.215 0.000 1.356 471 W HN -0.065 nan 8.180 nan 0.000 0.452 472 R N 3.002 123.698 120.500 0.327 0.000 2.502 472 R HA 0.505 4.845 4.340 0.000 0.000 0.298 472 R C -1.576 174.844 176.300 0.201 0.000 1.018 472 R CA -0.774 55.389 56.100 0.106 0.000 0.899 472 R CB 1.518 31.842 30.300 0.041 0.000 1.181 472 R HN 0.173 nan 8.270 nan 0.000 0.444 473 F N 3.031 122.787 119.950 -0.323 0.000 2.495 473 F HA 0.528 5.055 4.527 0.000 0.000 0.327 473 F C -0.447 175.216 175.800 -0.229 0.000 1.103 473 F CA -1.600 56.325 58.000 -0.125 0.000 0.949 473 F CB 1.262 40.157 39.000 -0.176 0.000 1.142 473 F HN 0.293 nan 8.300 nan 0.000 0.457 474 F N 1.230 121.366 119.950 0.310 0.000 2.460 474 F HA 0.658 5.185 4.527 0.000 0.000 0.341 474 F C 0.579 176.581 175.800 0.338 0.000 1.130 474 F CA -1.110 57.070 58.000 0.300 0.000 0.962 474 F CB 1.536 40.765 39.000 0.381 0.000 1.171 474 F HN 0.515 nan 8.300 nan 0.000 0.436 475 G N 2.199 111.242 108.800 0.405 0.000 2.462 475 G HA2 0.681 4.641 3.960 0.000 0.000 0.319 475 G HA3 0.681 4.641 3.960 0.000 0.000 0.319 475 G C -0.860 174.220 174.900 0.300 0.000 1.171 475 G CA -1.046 44.279 45.100 0.374 0.000 0.920 475 G HN 0.686 nan 8.290 nan 0.000 0.499 476 R N -0.944 119.724 120.500 0.280 0.000 2.598 476 R HA 0.705 5.045 4.340 0.000 0.000 0.279 476 R C -1.058 175.328 176.300 0.143 0.000 0.984 476 R CA -0.644 55.537 56.100 0.135 0.000 0.999 476 R CB 1.436 31.817 30.300 0.136 0.000 1.114 476 R HN 0.285 nan 8.270 nan 0.000 0.493 477 T N 1.450 116.057 114.554 0.089 0.000 2.792 477 T HA 0.123 4.473 4.350 0.000 0.000 0.280 477 T C -0.748 174.027 174.700 0.125 0.000 0.990 477 T CA -0.624 61.583 62.100 0.178 0.000 0.960 477 T CB 1.371 70.424 68.868 0.308 0.000 0.939 477 T HN 0.634 nan 8.240 nan 0.000 0.439 478 E N 4.531 124.807 120.200 0.127 0.000 2.480 478 E HA 0.065 4.415 4.350 0.000 0.000 0.258 478 E C -2.107 174.567 176.600 0.123 0.000 0.984 478 E CA -1.470 54.996 56.400 0.110 0.000 0.930 478 E CB 0.490 30.247 29.700 0.095 0.000 0.936 478 E HN 0.200 nan 8.360 nan 0.000 0.466 479 P HA 0.068 nan 4.420 nan 0.000 0.271 479 P C -1.210 176.235 177.300 0.242 0.000 1.226 479 P CA 0.279 63.514 63.100 0.226 0.000 0.765 479 P CB 0.580 32.441 31.700 0.269 0.000 0.835 480 K N 2.781 123.259 120.400 0.129 0.000 2.443 480 K HA 0.159 4.479 4.320 0.000 0.000 0.252 480 K C 0.923 177.326 176.600 -0.328 0.000 0.933 480 K CA -0.659 55.612 56.287 -0.026 0.000 0.792 480 K CB 2.475 34.928 32.500 -0.077 0.000 1.185 480 K HN 0.440 nan 8.250 nan 0.000 0.425 481 E N 2.330 122.139 120.200 -0.651 0.000 2.118 481 E HA -0.225 4.125 4.350 0.000 0.000 0.195 481 E C 1.094 177.423 176.600 -0.451 0.000 0.992 481 E CA 1.590 57.367 56.400 -1.038 0.000 0.804 481 E CB 0.451 29.758 29.700 -0.655 0.000 0.741 481 E HN 0.559 nan 8.360 nan 0.000 0.458 482 E N 0.362 120.404 120.200 -0.263 0.000 2.268 482 E HA -0.136 4.214 4.350 0.000 0.000 0.195 482 E C 0.063 176.593 176.600 -0.116 0.000 0.995 482 E CA 0.430 56.737 56.400 -0.155 0.000 0.836 482 E CB -0.322 29.302 29.700 -0.126 0.000 0.763 482 E HN 0.091 nan 8.360 nan 0.000 0.491 483 N N 1.973 120.588 118.700 -0.141 0.000 2.411 483 N HA 0.175 4.915 4.740 0.000 0.000 0.259 483 N C -0.715 174.849 175.510 0.090 0.000 1.103 483 N CA 0.158 53.172 53.050 -0.060 0.000 0.954 483 N CB 1.098 39.485 38.487 -0.166 0.000 1.085 483 N HN 0.116 nan 8.380 nan 0.000 0.485 484 K N 1.252 121.766 120.400 0.191 0.000 2.469 484 K HA 0.461 4.781 4.320 0.000 0.000 0.254 484 K C -1.182 175.578 176.600 0.267 0.000 0.939 484 K CA -0.936 55.489 56.287 0.229 0.000 0.812 484 K CB 2.445 35.095 32.500 0.249 0.000 1.301 484 K HN 0.169 nan 8.250 nan 0.000 0.433 485 L N 3.951 125.283 121.223 0.182 0.000 2.319 485 L HA 0.565 4.905 4.340 0.000 0.000 0.281 485 L C -1.305 175.500 176.870 -0.108 0.000 1.005 485 L CA -0.124 54.658 54.840 -0.096 0.000 0.828 485 L CB 0.574 42.599 42.059 -0.056 0.000 1.227 485 L HN 0.712 nan 8.230 nan 0.000 0.415 486 W N 3.666 124.668 121.300 -0.497 0.000 3.017 486 W HA 0.669 5.329 4.660 0.000 0.000 0.341 486 W C -2.141 173.893 176.519 -0.808 0.000 1.180 486 W CA -1.194 55.928 57.345 -0.371 0.000 1.097 486 W CB 0.949 30.344 29.460 -0.109 0.000 1.468 486 W HN 0.342 nan 8.180 nan 0.000 0.584 487 F N 1.390 121.541 119.950 0.334 0.000 2.529 487 F HA 0.343 4.870 4.527 0.000 0.000 0.320 487 F C 0.789 176.760 175.800 0.286 0.000 1.118 487 F CA -0.992 57.083 58.000 0.125 0.000 0.915 487 F CB 2.092 41.140 39.000 0.080 0.000 1.161 487 F HN 0.249 nan 8.300 nan 0.000 0.445 488 S N 1.037 116.878 115.700 0.234 0.000 2.560 488 S HA 0.029 4.500 4.470 0.000 0.000 0.284 488 S C 0.727 175.472 174.600 0.241 0.000 1.327 488 S CA -0.427 57.940 58.200 0.278 0.000 1.055 488 S CB 0.340 63.615 63.200 0.126 0.000 0.868 488 S HN 0.709 nan 8.310 nan 0.000 0.506 489 D N 2.757 123.285 120.400 0.213 0.000 2.339 489 D HA 0.113 4.753 4.640 0.000 0.000 0.217 489 D C 0.986 177.343 176.300 0.096 0.000 1.050 489 D CA 0.394 54.475 54.000 0.135 0.000 0.856 489 D CB 0.169 41.032 40.800 0.104 0.000 0.922 489 D HN 0.474 nan 8.370 nan 0.000 0.518 490 K N -0.271 120.189 120.400 0.101 0.000 2.424 490 K HA 0.137 4.458 4.320 0.000 0.000 0.200 490 K C 0.099 176.737 176.600 0.064 0.000 1.279 490 K CA -0.188 56.142 56.287 0.072 0.000 0.918 490 K CB 0.942 33.483 32.500 0.068 0.000 1.287 490 K HN -0.041 nan 8.250 nan 0.000 0.502 491 I N 3.531 124.143 120.570 0.070 0.000 2.474 491 I HA 0.085 4.255 4.170 0.000 0.000 0.287 491 I C 0.554 176.703 176.117 0.054 0.000 1.048 491 I CA 0.136 61.466 61.300 0.050 0.000 1.383 491 I CB 0.928 38.946 38.000 0.031 0.000 1.412 491 I HN 0.201 nan 8.210 nan 0.000 0.531 492 T N 1.462 116.044 114.554 0.046 0.000 2.932 492 T HA 0.582 4.932 4.350 0.000 0.000 0.289 492 T C -0.298 174.434 174.700 0.053 0.000 1.039 492 T CA -0.925 61.208 62.100 0.056 0.000 1.024 492 T CB 2.356 71.254 68.868 0.049 0.000 1.090 492 T HN 0.547 nan 8.240 nan 0.000 0.496 493 D N 0.776 121.224 120.400 0.081 0.000 2.469 493 D HA 0.466 5.106 4.640 0.000 0.000 0.278 493 D C 1.650 177.988 176.300 0.064 0.000 1.231 493 D CA -0.395 53.659 54.000 0.089 0.000 1.075 493 D CB -0.109 40.783 40.800 0.154 0.000 1.121 493 D HN 0.637 nan 8.370 nan 0.000 0.571 494 A N -1.450 121.401 122.820 0.052 0.000 2.067 494 A HA -0.108 4.212 4.320 0.000 0.000 0.219 494 A C 1.278 178.696 177.584 -0.277 0.000 1.158 494 A CA 0.900 52.865 52.037 -0.120 0.000 0.661 494 A CB -0.958 17.931 19.000 -0.186 0.000 0.801 494 A HN 0.551 nan 8.150 nan 0.000 0.452 495 Y N -1.238 119.079 120.300 0.029 0.000 2.571 495 Y HA 0.244 4.794 4.550 0.000 0.000 0.275 495 Y C 0.723 176.645 175.900 0.038 0.000 1.179 495 Y CA -0.159 57.963 58.100 0.036 0.000 1.242 495 Y CB -0.389 38.077 38.460 0.011 0.000 1.126 495 Y HN 0.459 nan 8.280 nan 0.000 0.524 496 N N -0.014 118.747 118.700 0.102 0.000 2.747 496 N HA -0.168 4.572 4.740 0.000 0.000 0.249 496 N C -0.724 174.830 175.510 0.072 0.000 1.107 496 N CA 0.471 53.560 53.050 0.066 0.000 0.707 496 N CB -0.471 38.038 38.487 0.036 0.000 1.054 496 N HN 0.126 nan 8.380 nan 0.000 0.555 497 M N -0.377 119.283 119.600 0.101 0.000 2.705 497 M HA 0.455 4.935 4.480 0.000 0.000 0.311 497 M C -2.196 174.164 176.300 0.101 0.000 1.214 497 M CA -1.971 53.377 55.300 0.080 0.000 0.920 497 M CB 0.847 33.494 32.600 0.078 0.000 1.687 497 M HN -0.259 nan 8.290 nan 0.000 0.481 498 P HA 0.001 nan 4.420 nan 0.000 0.264 498 P C -0.637 176.816 177.300 0.255 0.000 1.193 498 P CA 0.049 63.249 63.100 0.167 0.000 0.763 498 P CB 0.255 32.067 31.700 0.187 0.000 0.810 499 Q N 6.827 126.717 119.800 0.150 0.000 2.244 499 Q HA 0.107 4.447 4.340 0.000 0.000 0.278 499 Q C -2.147 173.801 176.000 -0.086 0.000 1.093 499 Q CA -1.783 54.050 55.803 0.050 0.000 0.916 499 Q CB -0.328 28.394 28.738 -0.026 0.000 1.159 499 Q HN 0.311 nan 8.270 nan 0.000 0.384 500 P HA 0.067 nan 4.420 nan 0.000 0.268 500 P C -0.990 175.796 177.300 -0.857 0.000 1.205 500 P CA -0.090 62.562 63.100 -0.747 0.000 0.771 500 P CB 0.999 32.385 31.700 -0.524 0.000 0.858 501 T N 2.844 116.653 114.554 -1.241 0.000 2.952 501 T HA 0.495 4.845 4.350 0.000 0.000 0.305 501 T C -0.655 173.327 174.700 -1.197 0.000 1.064 501 T CA -0.100 61.282 62.100 -1.196 0.000 1.008 501 T CB 0.532 68.356 68.868 -1.740 0.000 1.078 501 T HN 0.074 nan 8.240 nan 0.000 0.459 502 F N 1.873 121.540 119.950 -0.470 0.000 2.425 502 F HA 0.534 5.061 4.527 0.000 0.000 0.331 502 F C 0.633 176.374 175.800 -0.097 0.000 1.085 502 F CA -0.994 56.858 58.000 -0.247 0.000 1.028 502 F CB 1.116 40.025 39.000 -0.151 0.000 1.177 502 F HN 0.385 nan 8.300 nan 0.000 0.487 503 D N 3.107 123.671 120.400 0.274 0.000 2.420 503 D HA 0.227 4.867 4.640 0.000 0.000 0.255 503 D C -1.785 174.653 176.300 0.231 0.000 1.185 503 D CA -0.101 54.053 54.000 0.256 0.000 0.904 503 D CB 0.372 41.356 40.800 0.307 0.000 1.102 503 D HN 0.291 nan 8.370 nan 0.000 0.534 504 F N 3.387 123.338 119.950 0.002 0.000 2.561 504 F HA 0.577 5.104 4.527 0.000 0.000 0.313 504 F C -1.106 174.585 175.800 -0.182 0.000 1.126 504 F CA -0.603 57.329 58.000 -0.113 0.000 0.918 504 F CB 1.381 40.256 39.000 -0.208 0.000 1.199 504 F HN 0.037 nan 8.300 nan 0.000 0.444 505 R N 4.491 124.526 120.500 -0.775 0.000 2.698 505 R HA 0.351 4.691 4.340 0.000 0.000 0.275 505 R C -1.605 174.143 176.300 -0.921 0.000 1.001 505 R CA -0.941 54.834 56.100 -0.540 0.000 0.896 505 R CB 1.718 31.879 30.300 -0.231 0.000 1.218 505 R HN 0.581 nan 8.270 nan 0.000 0.462 506 F N 2.916 122.719 119.950 -0.244 0.000 2.578 506 F HA 0.162 4.689 4.527 0.000 0.000 0.381 506 F C -1.292 174.398 175.800 -0.182 0.000 1.069 506 F CA -1.071 56.832 58.000 -0.161 0.000 1.231 506 F CB -0.181 38.841 39.000 0.035 0.000 1.086 506 F HN 0.141 nan 8.300 nan 0.000 0.564 507 P HA 0.115 nan 4.420 nan 0.000 0.266 507 P C -0.555 176.762 177.300 0.029 0.000 1.195 507 P CA -0.136 62.946 63.100 -0.030 0.000 0.768 507 P CB 0.552 32.244 31.700 -0.014 0.000 0.838 508 A N 2.773 125.596 122.820 0.005 0.000 2.386 508 A HA 0.561 4.881 4.320 0.000 0.000 0.246 508 A C 1.140 178.740 177.584 0.026 0.000 1.089 508 A CA 0.808 52.854 52.037 0.014 0.000 0.790 508 A CB -0.921 18.079 19.000 0.000 0.000 1.042 508 A HN 0.820 nan 8.150 nan 0.000 0.497 509 G N 0.056 108.874 108.800 0.029 0.000 2.545 509 G HA2 -0.251 3.709 3.960 0.000 0.000 0.240 509 G HA3 -0.251 3.709 3.960 0.000 0.000 0.240 509 G C 1.060 175.990 174.900 0.051 0.000 1.172 509 G CA 0.744 45.866 45.100 0.036 0.000 0.949 509 G HN 0.990 nan 8.290 nan 0.000 0.574 510 R N -0.125 120.411 120.500 0.060 0.000 2.096 510 R HA -0.096 4.244 4.340 0.000 0.000 0.240 510 R C 2.835 179.192 176.300 0.096 0.000 1.139 510 R CA 2.844 58.990 56.100 0.077 0.000 0.952 510 R CB -0.914 29.433 30.300 0.079 0.000 0.854 510 R HN 0.621 nan 8.270 nan 0.000 0.436 511 T N 0.029 114.643 114.554 0.100 0.000 2.684 511 T HA -0.118 4.232 4.350 0.000 0.000 0.267 511 T C 1.938 176.695 174.700 0.094 0.000 1.036 511 T CA 1.861 64.036 62.100 0.125 0.000 1.148 511 T CB -0.198 68.763 68.868 0.155 0.000 0.863 511 T HN 0.290 nan 8.240 nan 0.000 0.436 512 S N 0.686 116.426 115.700 0.067 0.000 2.368 512 S HA -0.046 4.424 4.470 0.000 0.000 0.224 512 S C 2.020 176.634 174.600 0.023 0.000 1.029 512 S CA 1.039 59.250 58.200 0.017 0.000 0.988 512 S CB -0.212 62.992 63.200 0.007 0.000 0.838 512 S HN 0.528 nan 8.310 nan 0.000 0.462 513 K N 1.472 121.902 120.400 0.050 0.000 2.026 513 K HA -0.151 4.169 4.320 0.000 0.000 0.208 513 K C 1.870 178.532 176.600 0.104 0.000 1.048 513 K CA 1.549 57.875 56.287 0.065 0.000 0.929 513 K CB -0.157 32.383 32.500 0.067 0.000 0.713 513 K HN 0.354 nan 8.250 nan 0.000 0.439 514 E N 0.016 120.303 120.200 0.145 0.000 2.110 514 E HA -0.182 4.168 4.350 0.000 0.000 0.193 514 E C 1.994 178.707 176.600 0.188 0.000 0.988 514 E CA 1.002 57.551 56.400 0.250 0.000 0.804 514 E CB -0.124 29.755 29.700 0.298 0.000 0.745 514 E HN 0.480 nan 8.360 nan 0.000 0.458 515 A N 1.350 124.241 122.820 0.118 0.000 1.902 515 A HA -0.254 4.066 4.320 0.000 0.000 0.217 515 A C 2.091 179.760 177.584 0.143 0.000 1.181 515 A CA 1.822 53.922 52.037 0.106 0.000 0.623 515 A CB -0.386 18.627 19.000 0.021 0.000 0.818 515 A HN 0.152 nan 8.150 nan 0.000 0.443 516 E N 0.474 120.737 120.200 0.104 0.000 2.072 516 E HA -0.152 4.198 4.350 0.000 0.000 0.190 516 E C 1.342 177.939 176.600 -0.004 0.000 0.982 516 E CA 1.500 57.962 56.400 0.104 0.000 0.803 516 E CB -0.309 29.419 29.700 0.046 0.000 0.755 516 E HN 0.509 nan 8.360 nan 0.000 0.453 517 D N -0.014 120.386 120.400 0.000 0.000 2.149 517 D HA -0.204 4.436 4.640 0.000 0.000 0.198 517 D C 1.914 177.982 176.300 -0.386 0.000 0.990 517 D CA 1.282 55.265 54.000 -0.029 0.000 0.839 517 D CB -0.327 40.595 40.800 0.203 0.000 0.948 517 D HN 0.320 nan 8.370 nan 0.000 0.460 518 M N -0.276 118.907 119.600 -0.696 0.000 2.067 518 M HA -0.218 4.262 4.480 0.000 0.000 0.260 518 M C 2.115 178.010 176.300 -0.675 0.000 1.069 518 M CA 1.320 55.871 55.300 -1.247 0.000 1.117 518 M CB -0.043 32.086 32.600 -0.785 0.000 1.334 518 M HN -0.019 nan 8.290 nan 0.000 0.407 519 M N 0.329 119.655 119.600 -0.457 0.000 2.089 519 M HA -0.206 4.274 4.480 0.000 0.000 0.257 519 M C 1.774 177.863 176.300 -0.353 0.000 1.071 519 M CA 2.544 57.568 55.300 -0.460 0.000 1.096 519 M CB -1.045 31.360 32.600 -0.326 0.000 1.330 519 M HN 0.294 nan 8.290 nan 0.000 0.403 520 T N -0.056 114.360 114.554 -0.229 0.000 2.746 520 T HA -0.167 4.183 4.350 0.000 0.000 0.267 520 T C 1.484 176.112 174.700 -0.120 0.000 1.039 520 T CA 1.802 63.819 62.100 -0.137 0.000 1.142 520 T CB -0.604 68.231 68.868 -0.056 0.000 0.866 520 T HN 0.563 nan 8.240 nan 0.000 0.444 521 D N 0.557 120.879 120.400 -0.131 0.000 2.117 521 D HA -0.075 4.565 4.640 0.000 0.000 0.197 521 D C 2.056 178.360 176.300 0.008 0.000 0.987 521 D CA 0.905 54.940 54.000 0.059 0.000 0.829 521 D CB -0.213 40.710 40.800 0.205 0.000 0.961 521 D HN 0.304 nan 8.370 nan 0.000 0.460 522 M N -0.554 118.816 119.600 -0.383 0.000 2.175 522 M HA -0.147 4.333 4.480 0.000 0.000 0.264 522 M C 1.910 177.908 176.300 -0.503 0.000 1.063 522 M CA 1.198 55.985 55.300 -0.855 0.000 1.119 522 M CB -0.158 31.581 32.600 -1.434 0.000 1.377 522 M HN 0.181 nan 8.290 nan 0.000 0.415 523 C N -0.182 118.923 119.300 -0.325 0.000 2.432 523 C HA -0.119 4.341 4.460 0.000 0.000 0.277 523 C C 2.689 177.592 174.990 -0.145 0.000 1.249 523 C CA 0.950 59.885 59.018 -0.138 0.000 1.725 523 C CB -0.940 26.763 27.740 -0.062 0.000 2.028 523 C HN 0.501 nan 8.230 nan 0.000 0.477 524 V N 0.386 120.245 119.914 -0.092 0.000 2.358 524 V HA -0.265 3.855 4.120 0.000 0.000 0.246 524 V C 2.342 178.427 176.094 -0.015 0.000 1.047 524 V CA 2.203 64.483 62.300 -0.034 0.000 1.035 524 V CB -0.596 31.258 31.823 0.051 0.000 0.658 524 V HN 0.595 nan 8.190 nan 0.000 0.452 525 M N 0.499 120.122 119.600 0.038 0.000 2.156 525 M HA -0.130 4.350 4.480 0.000 0.000 0.264 525 M C 2.467 178.660 176.300 -0.178 0.000 1.067 525 M CA 2.088 57.490 55.300 0.170 0.000 1.131 525 M CB -0.148 32.717 32.600 0.442 0.000 1.368 525 M HN 0.528 nan 8.290 nan 0.000 0.416 526 S N 0.592 115.865 115.700 -0.712 0.000 2.419 526 S HA -0.067 4.403 4.470 0.000 0.000 0.233 526 S C 1.927 176.156 174.600 -0.618 0.000 1.016 526 S CA 1.005 58.404 58.200 -1.334 0.000 0.974 526 S CB -0.833 61.321 63.200 -1.742 0.000 0.786 526 S HN 0.562 nan 8.310 nan 0.000 0.492 527 A N 1.735 124.297 122.820 -0.431 0.000 2.121 527 A HA 0.057 4.377 4.320 0.000 0.000 0.218 527 A C 2.134 179.598 177.584 -0.200 0.000 1.154 527 A CA 1.190 53.019 52.037 -0.346 0.000 0.679 527 A CB -0.496 18.329 19.000 -0.292 0.000 0.795 527 A HN 0.612 nan 8.150 nan 0.000 0.458 528 K N -0.672 119.656 120.400 -0.121 0.000 2.365 528 K HA 0.056 4.376 4.320 0.000 0.000 0.199 528 K C 1.076 177.675 176.600 -0.003 0.000 1.045 528 K CA 0.684 56.945 56.287 -0.042 0.000 0.962 528 K CB 0.055 32.565 32.500 0.018 0.000 0.759 528 K HN 0.394 nan 8.250 nan 0.000 0.469 529 I N -1.018 119.565 120.570 0.021 0.000 3.445 529 I HA 0.182 4.352 4.170 0.000 0.000 0.288 529 I C 1.045 177.178 176.117 0.027 0.000 1.198 529 I CA 0.523 61.881 61.300 0.096 0.000 1.417 529 I CB 0.255 38.452 38.000 0.328 0.000 1.205 529 I HN 0.088 nan 8.210 nan 0.000 0.448 530 G N -0.604 108.157 108.800 -0.064 0.000 2.356 530 G HA2 0.451 4.412 3.960 0.000 0.000 0.294 530 G HA3 0.451 4.412 3.960 0.000 0.000 0.294 530 G C -0.594 174.162 174.900 -0.240 0.000 1.423 530 G CA -0.170 44.868 45.100 -0.104 0.000 0.806 530 G HN 0.261 nan 8.290 nan 0.000 0.527 531 G N -1.079 107.572 108.800 -0.248 0.000 2.606 531 G HA2 0.522 4.482 3.960 0.000 0.000 0.252 531 G HA3 0.522 4.482 3.960 0.000 0.000 0.252 531 G C -0.204 174.508 174.900 -0.313 0.000 1.206 531 G CA -0.459 44.400 45.100 -0.402 0.000 0.861 531 G HN 0.440 nan 8.290 nan 0.000 0.561 532 F N -0.715 119.140 119.950 -0.159 0.000 2.563 532 F HA 0.163 4.690 4.527 0.000 0.000 0.363 532 F C 0.760 176.499 175.800 -0.102 0.000 1.123 532 F CA -0.782 57.118 58.000 -0.167 0.000 1.307 532 F CB 0.610 39.505 39.000 -0.174 0.000 1.115 532 F HN 0.172 nan 8.300 nan 0.000 0.592 533 L N 6.269 127.560 121.223 0.113 0.000 2.369 533 L HA 0.396 4.736 4.340 0.000 0.000 0.279 533 L C -2.375 174.542 176.870 0.078 0.000 1.108 533 L CA -1.814 53.070 54.840 0.072 0.000 0.852 533 L CB 0.060 42.156 42.059 0.062 0.000 1.169 533 L HN 0.277 nan 8.230 nan 0.000 0.452 534 P HA 0.161 nan 4.420 nan 0.000 0.264 534 P C 0.669 178.017 177.300 0.080 0.000 1.183 534 P CA 1.109 64.248 63.100 0.065 0.000 0.763 534 P CB 0.633 32.366 31.700 0.055 0.000 0.807 535 G N 1.967 110.810 108.800 0.071 0.000 2.217 535 G HA2 -0.234 3.726 3.960 0.000 0.000 0.246 535 G HA3 -0.234 3.726 3.960 0.000 0.000 0.246 535 G C 0.455 175.437 174.900 0.136 0.000 0.990 535 G CA 0.206 45.367 45.100 0.102 0.000 0.627 535 G HN 0.533 nan 8.290 nan 0.000 0.522 536 S N 0.826 116.580 115.700 0.089 0.000 2.474 536 S HA 0.532 5.002 4.470 0.000 0.000 0.224 536 S C 0.400 174.917 174.600 -0.138 0.000 1.209 536 S CA -0.546 57.695 58.200 0.067 0.000 1.212 536 S CB 0.268 63.488 63.200 0.033 0.000 1.137 536 S HN 0.464 nan 8.310 nan 0.000 0.446 537 L N 2.627 123.758 121.223 -0.153 0.000 2.466 537 L HA 0.399 4.739 4.340 0.000 0.000 0.257 537 L C -1.986 174.583 176.870 -0.501 0.000 1.189 537 L CA -2.312 52.304 54.840 -0.373 0.000 0.813 537 L CB 0.065 41.968 42.059 -0.260 0.000 1.118 537 L HN 0.102 nan 8.230 nan 0.000 0.471 538 P HA 0.008 nan 4.420 nan 0.000 0.264 538 P C -1.498 175.561 177.300 -0.402 0.000 1.193 538 P CA 0.084 62.779 63.100 -0.674 0.000 0.763 538 P CB 0.560 31.759 31.700 -0.835 0.000 0.810 539 Q N 1.801 121.400 119.800 -0.335 0.000 2.426 539 Q HA 0.453 4.793 4.340 0.000 0.000 0.278 539 Q C -1.521 174.320 176.000 -0.264 0.000 1.007 539 Q CA -0.867 54.825 55.803 -0.186 0.000 0.850 539 Q CB 0.611 29.319 28.738 -0.049 0.000 1.427 539 Q HN 0.097 nan 8.270 nan 0.000 0.391 540 F N 1.858 121.751 119.950 -0.095 0.000 2.443 540 F HA 0.284 4.811 4.527 0.000 0.000 0.353 540 F C 0.578 176.348 175.800 -0.051 0.000 1.101 540 F CA -0.266 57.681 58.000 -0.088 0.000 1.226 540 F CB 0.893 39.832 39.000 -0.101 0.000 1.140 540 F HN 0.415 nan 8.300 nan 0.000 0.557 541 M N 1.900 121.548 119.600 0.080 0.000 2.255 541 M HA 0.120 4.600 4.480 0.000 0.000 0.336 541 M C 0.292 176.635 176.300 0.072 0.000 1.135 541 M CA -0.505 54.817 55.300 0.037 0.000 1.145 541 M CB 0.450 33.029 32.600 -0.035 0.000 1.473 541 M HN 0.598 nan 8.290 nan 0.000 0.462 542 E N 2.888 123.103 120.200 0.026 0.000 2.568 542 E HA -0.011 4.339 4.350 0.000 0.000 0.262 542 E C -2.194 174.421 176.600 0.026 0.000 0.961 542 E CA -1.104 55.308 56.400 0.019 0.000 0.945 542 E CB 0.348 30.032 29.700 -0.026 0.000 0.924 542 E HN 0.236 nan 8.360 nan 0.000 0.467 543 P HA 0.047 nan 4.420 nan 0.000 0.263 543 P C 0.219 177.425 177.300 -0.157 0.000 1.195 543 P CA 1.178 64.299 63.100 0.035 0.000 0.762 543 P CB 0.738 32.426 31.700 -0.021 0.000 0.799 544 G N 2.677 111.386 108.800 -0.153 0.000 2.217 544 G HA2 -0.322 3.638 3.960 0.000 0.000 0.246 544 G HA3 -0.322 3.638 3.960 0.000 0.000 0.246 544 G C 0.795 175.618 174.900 -0.129 0.000 0.990 544 G CA 0.171 45.135 45.100 -0.227 0.000 0.627 544 G HN 0.524 nan 8.290 nan 0.000 0.522 545 L N 1.014 122.184 121.223 -0.088 0.000 2.187 545 L HA 0.109 4.449 4.340 0.000 0.000 0.213 545 L C 2.809 179.639 176.870 -0.067 0.000 1.100 545 L CA 2.489 57.285 54.840 -0.075 0.000 0.765 545 L CB -0.352 41.663 42.059 -0.074 0.000 0.904 545 L HN 0.480 nan 8.230 nan 0.000 0.437 546 V N -0.213 119.664 119.914 -0.061 0.000 2.720 546 V HA -0.160 3.960 4.120 0.000 0.000 0.256 546 V C 1.524 177.517 176.094 -0.167 0.000 1.082 546 V CA 1.129 63.371 62.300 -0.096 0.000 1.101 546 V CB -0.297 31.507 31.823 -0.032 0.000 0.693 546 V HN 0.492 nan 8.190 nan 0.000 0.479 547 L N 0.048 121.237 121.223 -0.055 0.000 3.608 547 L HA -0.246 4.094 4.340 0.000 0.000 0.422 547 L C 0.350 177.355 176.870 0.225 0.000 1.260 547 L CA 0.887 55.754 54.840 0.044 0.000 0.889 547 L CB -2.556 39.541 42.059 0.064 0.000 1.821 547 L HN 0.563 nan 8.230 nan 0.000 0.884 548 H N -0.853 118.311 119.070 0.157 0.000 2.510 548 H HA 0.266 4.822 4.556 0.000 0.000 0.266 548 H C 0.553 176.025 175.328 0.240 0.000 1.146 548 H CA -1.071 55.121 56.048 0.240 0.000 0.993 548 H CB 0.785 30.732 29.762 0.308 0.000 1.727 548 H HN 0.201 nan 8.280 nan 0.000 0.590 549 L N 1.917 123.285 121.223 0.242 0.000 2.540 549 L HA 0.177 4.517 4.340 0.000 0.000 0.276 549 L C 0.630 177.643 176.870 0.239 0.000 1.212 549 L CA 0.882 55.820 54.840 0.163 0.000 0.893 549 L CB 0.329 42.443 42.059 0.092 0.000 1.138 549 L HN 0.287 nan 8.230 nan 0.000 0.491 550 G N 1.682 110.643 108.800 0.268 0.000 2.949 550 G HA2 0.547 4.507 3.960 0.000 0.000 0.285 550 G HA3 0.547 4.507 3.960 0.000 0.000 0.285 550 G C 0.314 175.326 174.900 0.187 0.000 1.395 550 G CA -0.281 44.977 45.100 0.263 0.000 0.901 550 G HN 1.355 nan 8.290 nan 0.000 0.519 551 G N -1.552 107.325 108.800 0.129 0.000 2.179 551 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 551 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 551 G C 1.369 176.337 174.900 0.113 0.000 0.977 551 G CA 1.633 46.819 45.100 0.144 0.000 0.641 551 G HN 1.878 nan 8.290 nan 0.000 0.533 552 T N -1.903 112.664 114.554 0.022 0.000 2.995 552 T HA 0.155 4.505 4.350 0.000 0.000 0.269 552 T C 1.089 175.858 174.700 0.115 0.000 1.091 552 T CA 1.838 63.987 62.100 0.082 0.000 1.128 552 T CB -0.263 68.662 68.868 0.095 0.000 0.891 552 T HN 1.436 nan 8.240 nan 0.000 0.492 553 H N 0.004 119.151 119.070 0.129 0.000 2.712 553 H HA 0.472 5.028 4.556 0.000 0.000 0.226 553 H C -0.036 175.335 175.328 0.072 0.000 1.422 553 H CA -1.371 54.727 56.048 0.083 0.000 1.270 553 H CB -0.323 29.452 29.762 0.022 0.000 1.891 553 H HN 0.349 nan 8.280 nan 0.000 0.518 554 R N 0.732 121.319 120.500 0.144 0.000 2.679 554 R HA 0.303 4.643 4.340 0.000 0.000 0.269 554 R C -0.333 176.029 176.300 0.102 0.000 1.076 554 R CA -0.701 55.458 56.100 0.097 0.000 1.160 554 R CB 0.951 31.302 30.300 0.085 0.000 1.054 554 R HN 0.488 nan 8.270 nan 0.000 0.507 555 M N 1.106 120.742 119.600 0.060 0.000 2.367 555 M HA 0.498 4.978 4.480 0.000 0.000 0.339 555 M C -0.687 175.609 176.300 -0.007 0.000 1.177 555 M CA 0.014 55.325 55.300 0.018 0.000 1.068 555 M CB 1.837 34.423 32.600 -0.024 0.000 1.602 555 M HN 0.937 nan 8.290 nan 0.000 0.457 556 G N 2.077 110.878 108.800 0.002 0.000 2.550 556 G HA2 0.422 4.382 3.960 0.000 0.000 0.293 556 G HA3 0.422 4.382 3.960 0.000 0.000 0.293 556 G C -0.906 173.973 174.900 -0.035 0.000 1.402 556 G CA -0.685 44.365 45.100 -0.083 0.000 0.784 556 G HN 0.694 nan 8.290 nan 0.000 0.482 557 F N -0.020 120.022 119.950 0.153 0.000 2.163 557 F HA 0.222 4.749 4.527 0.000 0.000 0.297 557 F C 1.176 177.091 175.800 0.192 0.000 1.094 557 F CA 1.227 59.321 58.000 0.157 0.000 1.290 557 F CB 0.299 39.355 39.000 0.093 0.000 1.017 557 F HN 0.376 nan 8.300 nan 0.000 0.483 558 D N -0.887 119.674 120.400 0.269 0.000 2.502 558 D HA 0.129 4.770 4.640 0.000 0.000 0.249 558 D C 0.790 176.962 176.300 -0.213 0.000 1.092 558 D CA -0.236 53.783 54.000 0.032 0.000 0.839 558 D CB 1.254 42.080 40.800 0.044 0.000 1.264 558 D HN 0.085 nan 8.370 nan 0.000 0.511 559 E N 3.041 122.791 120.200 -0.750 0.000 2.086 559 E HA -0.300 4.050 4.350 0.000 0.000 0.200 559 E C 1.264 177.677 176.600 -0.311 0.000 1.012 559 E CA 1.351 57.225 56.400 -0.877 0.000 0.812 559 E CB 0.286 29.263 29.700 -1.205 0.000 0.743 559 E HN 0.427 nan 8.360 nan 0.000 0.453 560 K N 0.009 120.276 120.400 -0.221 0.000 2.067 560 K HA -0.099 4.221 4.320 0.000 0.000 0.203 560 K C 2.105 178.670 176.600 -0.058 0.000 1.048 560 K CA 1.072 57.298 56.287 -0.102 0.000 0.954 560 K CB 0.062 32.516 32.500 -0.076 0.000 0.737 560 K HN 0.065 nan 8.250 nan 0.000 0.444 561 E N 0.271 120.442 120.200 -0.047 0.000 2.106 561 E HA -0.131 4.219 4.350 0.000 0.000 0.192 561 E C 0.474 177.071 176.600 -0.006 0.000 0.984 561 E CA 1.034 57.428 56.400 -0.009 0.000 0.806 561 E CB 0.234 29.943 29.700 0.014 0.000 0.750 561 E HN 0.302 nan 8.360 nan 0.000 0.458 562 D N 0.149 120.541 120.400 -0.014 0.000 2.424 562 D HA 0.061 4.701 4.640 0.000 0.000 0.220 562 D C -0.729 175.508 176.300 -0.104 0.000 1.150 562 D CA -0.045 53.942 54.000 -0.021 0.000 0.831 562 D CB 0.043 40.871 40.800 0.047 0.000 0.981 562 D HN 0.078 nan 8.370 nan 0.000 0.500 563 N N 0.712 119.340 118.700 -0.120 0.000 2.669 563 N HA -0.198 4.542 4.740 0.000 0.000 0.266 563 N C -0.280 175.149 175.510 -0.135 0.000 1.024 563 N CA 0.626 53.573 53.050 -0.172 0.000 0.766 563 N CB -1.315 36.902 38.487 -0.449 0.000 0.898 563 N HN 0.432 nan 8.380 nan 0.000 0.548 564 C N -3.271 116.030 119.300 0.002 0.000 3.285 564 C HA 0.765 5.225 4.460 0.000 0.000 0.320 564 C C 1.341 176.516 174.990 0.308 0.000 1.411 564 C CA -0.710 58.386 59.018 0.129 0.000 1.429 564 C CB 1.552 29.384 27.740 0.153 0.000 1.812 564 C HN 0.489 nan 8.230 nan 0.000 0.454 565 C N 0.389 119.895 119.300 0.343 0.000 3.123 565 C HA 0.495 4.955 4.460 0.000 0.000 0.399 565 C C 0.675 175.760 174.990 0.157 0.000 1.320 565 C CA 0.617 59.831 59.018 0.327 0.000 1.949 565 C CB -0.383 27.466 27.740 0.182 0.000 2.692 565 C HN 0.973 nan 8.230 nan 0.000 0.623 566 V N 1.119 121.019 119.914 -0.025 0.000 2.962 566 V HA 0.692 4.812 4.120 0.000 0.000 0.313 566 V C -0.734 175.030 176.094 -0.551 0.000 1.099 566 V CA -0.677 61.350 62.300 -0.456 0.000 0.971 566 V CB 1.521 33.208 31.823 -0.227 0.000 1.028 566 V HN 0.385 nan 8.190 nan 0.000 0.430 567 N N 1.067 119.286 118.700 -0.803 0.000 2.431 567 N HA 0.247 4.987 4.740 0.000 0.000 0.289 567 N C 1.074 176.455 175.510 -0.215 0.000 1.277 567 N CA 0.324 53.149 53.050 -0.374 0.000 0.972 567 N CB -0.063 38.226 38.487 -0.330 0.000 1.143 567 N HN 0.952 nan 8.380 nan 0.000 0.578 568 T N -4.672 109.794 114.554 -0.146 0.000 3.118 568 T HA 0.027 4.377 4.350 0.000 0.000 0.260 568 T C 0.185 174.812 174.700 -0.121 0.000 1.139 568 T CA 0.570 62.583 62.100 -0.146 0.000 1.085 568 T CB -0.384 68.407 68.868 -0.128 0.000 0.934 568 T HN 0.435 nan 8.240 nan 0.000 0.518 569 D N 1.080 121.401 120.400 -0.132 0.000 2.340 569 D HA 0.164 4.804 4.640 0.000 0.000 0.220 569 D C 0.617 176.919 176.300 0.002 0.000 1.039 569 D CA 0.190 54.128 54.000 -0.104 0.000 0.866 569 D CB 0.108 40.716 40.800 -0.319 0.000 0.913 569 D HN 0.352 nan 8.370 nan 0.000 0.523 570 S N 0.032 115.700 115.700 -0.052 0.000 3.361 570 S HA -0.234 4.236 4.470 0.000 0.000 0.288 570 S C 0.539 175.124 174.600 -0.026 0.000 1.269 570 S CA 0.361 58.566 58.200 0.008 0.000 0.976 570 S CB -1.270 62.015 63.200 0.142 0.000 1.162 570 S HN 0.447 nan 8.310 nan 0.000 0.643 571 R N 1.273 121.644 120.500 -0.216 0.000 2.390 571 R HA 0.440 4.781 4.340 0.000 0.000 0.291 571 R C -0.037 175.932 176.300 -0.551 0.000 1.070 571 R CA -0.308 55.463 56.100 -0.549 0.000 1.014 571 R CB 0.622 30.548 30.300 -0.625 0.000 1.007 571 R HN 0.135 nan 8.270 nan 0.000 0.466 572 V N 6.329 125.952 119.914 -0.486 0.000 2.485 572 V HA 0.006 4.126 4.120 0.000 0.000 0.287 572 V C 0.086 176.083 176.094 -0.163 0.000 1.022 572 V CA 0.135 62.230 62.300 -0.342 0.000 1.067 572 V CB -0.088 31.527 31.823 -0.347 0.000 0.967 572 V HN 0.569 nan 8.190 nan 0.000 0.479 573 F N 4.218 124.200 119.950 0.053 0.000 2.580 573 F HA 0.349 4.876 4.527 0.000 0.000 0.398 573 F C 1.555 177.488 175.800 0.222 0.000 1.023 573 F CA 1.485 59.547 58.000 0.104 0.000 1.188 573 F CB -0.308 38.748 39.000 0.094 0.000 1.005 573 F HN 0.803 nan 8.300 nan 0.000 0.546 574 G N 2.276 111.262 108.800 0.310 0.000 2.213 574 G HA2 -0.279 3.681 3.960 0.000 0.000 0.236 574 G HA3 -0.279 3.681 3.960 0.000 0.000 0.236 574 G C -0.198 174.654 174.900 -0.081 0.000 0.991 574 G CA -0.605 44.578 45.100 0.138 0.000 0.629 574 G HN 0.433 nan 8.290 nan 0.000 0.517 575 F N 1.176 121.146 119.950 0.034 0.000 2.426 575 F HA 0.590 5.117 4.527 0.000 0.000 0.348 575 F C 1.343 177.119 175.800 -0.040 0.000 1.124 575 F CA -1.043 56.962 58.000 0.007 0.000 1.008 575 F CB 1.712 40.716 39.000 0.007 0.000 1.139 575 F HN -0.232 nan 8.300 nan 0.000 0.452 576 K N 1.717 122.192 120.400 0.124 0.000 2.148 576 K HA -0.100 4.220 4.320 0.000 0.000 0.204 576 K C 0.849 177.631 176.600 0.303 0.000 1.050 576 K CA 1.171 57.572 56.287 0.190 0.000 0.942 576 K CB 0.022 32.644 32.500 0.203 0.000 0.724 576 K HN 0.657 nan 8.250 nan 0.000 0.446 577 N N -0.044 118.807 118.700 0.251 0.000 2.299 577 N HA 0.026 4.766 4.740 0.000 0.000 0.246 577 N C -0.585 174.988 175.510 0.105 0.000 1.254 577 N CA -0.319 52.917 53.050 0.310 0.000 0.879 577 N CB -0.051 38.702 38.487 0.443 0.000 1.214 577 N HN -0.066 nan 8.380 nan 0.000 0.510 578 L N 0.636 121.720 121.223 -0.231 0.000 2.333 578 L HA 0.696 5.036 4.340 0.000 0.000 0.280 578 L C -1.727 174.763 176.870 -0.634 0.000 1.004 578 L CA -0.623 54.064 54.840 -0.255 0.000 0.820 578 L CB 0.819 42.731 42.059 -0.245 0.000 1.247 578 L HN -0.042 nan 8.230 nan 0.000 0.416 579 F N 4.845 124.706 119.950 -0.149 0.000 2.563 579 F HA 0.671 5.198 4.527 0.000 0.000 0.316 579 F C -0.572 175.067 175.800 -0.268 0.000 1.076 579 F CA -0.706 57.185 58.000 -0.182 0.000 0.921 579 F CB 1.838 40.763 39.000 -0.124 0.000 1.209 579 F HN 0.195 nan 8.300 nan 0.000 0.462 580 L N 1.725 122.893 121.223 -0.092 0.000 2.362 580 L HA 0.889 5.229 4.340 0.000 0.000 0.271 580 L C -0.011 176.849 176.870 -0.016 0.000 1.002 580 L CA -0.828 53.882 54.840 -0.217 0.000 0.818 580 L CB 1.939 43.707 42.059 -0.486 0.000 1.298 580 L HN 0.784 nan 8.230 nan 0.000 0.420 581 G N 0.232 109.041 108.800 0.015 0.000 2.519 581 G HA2 0.810 4.770 3.960 0.000 0.000 0.307 581 G HA3 0.810 4.770 3.960 0.000 0.000 0.307 581 G C -0.569 174.445 174.900 0.191 0.000 1.266 581 G CA -0.346 44.870 45.100 0.193 0.000 0.970 581 G HN 0.967 nan 8.290 nan 0.000 0.481 582 G N -1.437 107.473 108.800 0.183 0.000 2.353 582 G HA2 0.100 4.060 3.960 0.000 0.000 0.424 582 G HA3 0.100 4.060 3.960 0.000 0.000 0.424 582 G C 0.688 175.649 174.900 0.101 0.000 1.320 582 G CA 0.050 45.237 45.100 0.146 0.000 0.995 582 G HN 1.153 nan 8.290 nan 0.000 0.580 583 C N 0.526 119.862 119.300 0.059 0.000 2.419 583 C HA 0.193 4.653 4.460 0.000 0.000 0.283 583 C C 3.017 177.991 174.990 -0.026 0.000 1.373 583 C CA 1.774 60.803 59.018 0.018 0.000 1.781 583 C CB -1.289 26.492 27.740 0.069 0.000 1.886 583 C HN 1.264 nan 8.230 nan 0.000 0.520 584 G N 1.213 109.919 108.800 -0.157 0.000 2.479 584 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 584 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 584 G C 1.421 176.013 174.900 -0.514 0.000 1.115 584 G CA 0.762 45.516 45.100 -0.577 0.000 0.757 584 G HN 0.552 nan 8.290 nan 0.000 0.560 585 N N 0.471 119.080 118.700 -0.152 0.000 2.309 585 N HA -0.001 4.739 4.740 0.000 0.000 0.182 585 N C 1.028 176.559 175.510 0.037 0.000 1.018 585 N CA 0.185 53.268 53.050 0.054 0.000 0.876 585 N CB -0.066 38.491 38.487 0.116 0.000 0.972 585 N HN 0.321 nan 8.380 nan 0.000 0.434 586 I N 3.106 123.692 120.570 0.028 0.000 2.581 586 I HA 0.007 4.177 4.170 0.000 0.000 0.285 586 I C -1.373 174.833 176.117 0.149 0.000 1.129 586 I CA -0.754 60.588 61.300 0.070 0.000 1.397 586 I CB 0.874 38.861 38.000 -0.022 0.000 1.399 586 I HN -0.033 nan 8.210 nan 0.000 0.537 587 P HA 0.075 nan 4.420 nan 0.000 0.275 587 P C 0.203 177.599 177.300 0.160 0.000 1.310 587 P CA 0.150 63.327 63.100 0.127 0.000 0.904 587 P CB 0.319 32.053 31.700 0.057 0.000 1.381 588 T N -2.284 112.401 114.554 0.218 0.000 2.897 588 T HA 0.687 5.037 4.350 0.000 0.000 0.278 588 T C 0.220 175.058 174.700 0.230 0.000 0.981 588 T CA -0.868 61.347 62.100 0.192 0.000 0.973 588 T CB 1.157 70.114 68.868 0.148 0.000 1.092 588 T HN 0.057 nan 8.240 nan 0.000 0.543 589 A N 1.805 124.690 122.820 0.108 0.000 2.350 589 A HA 0.585 4.905 4.320 0.000 0.000 0.293 589 A C -0.626 176.909 177.584 -0.081 0.000 1.231 589 A CA -0.777 51.265 52.037 0.007 0.000 0.883 589 A CB -1.041 17.982 19.000 0.038 0.000 1.133 589 A HN 0.841 nan 8.150 nan 0.000 0.533 590 Y N -0.351 119.841 120.300 -0.180 0.000 2.499 590 Y HA 0.717 5.267 4.550 0.000 0.000 0.347 590 Y C 0.755 176.502 175.900 -0.255 0.000 0.987 590 Y CA -0.811 56.976 58.100 -0.521 0.000 1.044 590 Y CB 1.366 39.221 38.460 -1.008 0.000 1.245 590 Y HN 0.367 nan 8.280 nan 0.000 0.461 591 G N 0.525 109.212 108.800 -0.188 0.000 2.673 591 G HA2 0.387 4.347 3.960 0.000 0.000 0.208 591 G HA3 0.387 4.347 3.960 0.000 0.000 0.208 591 G C 0.452 175.431 174.900 0.131 0.000 1.128 591 G CA 0.199 45.401 45.100 0.170 0.000 0.805 591 G HN 0.953 nan 8.290 nan 0.000 0.526 592 A N 0.775 123.494 122.820 -0.169 0.000 2.346 592 A HA 0.478 4.798 4.320 0.000 0.000 0.252 592 A C -0.045 177.426 177.584 -0.188 0.000 1.089 592 A CA -0.480 51.354 52.037 -0.338 0.000 0.797 592 A CB 0.059 18.866 19.000 -0.322 0.000 1.047 592 A HN 0.357 nan 8.150 nan 0.000 0.494 593 N N 1.807 120.262 118.700 -0.408 0.000 2.483 593 N HA 0.243 4.983 4.740 0.000 0.000 0.264 593 N C -1.997 173.433 175.510 -0.134 0.000 1.197 593 N CA -0.962 51.828 53.050 -0.433 0.000 0.927 593 N CB 0.409 38.727 38.487 -0.282 0.000 1.065 593 N HN 0.420 nan 8.380 nan 0.000 0.461 594 P HA 0.002 nan 4.420 nan 0.000 0.245 594 P C 0.459 177.681 177.300 -0.130 0.000 1.203 594 P CA 0.634 63.660 63.100 -0.123 0.000 0.792 594 P CB 0.337 31.932 31.700 -0.176 0.000 0.997 595 T N 1.102 115.660 114.554 0.007 0.000 2.746 595 T HA -0.134 4.216 4.350 0.000 0.000 0.267 595 T C 1.778 176.586 174.700 0.181 0.000 1.039 595 T CA 1.051 63.216 62.100 0.108 0.000 1.142 595 T CB -0.794 68.180 68.868 0.176 0.000 0.866 595 T HN 0.026 nan 8.240 nan 0.000 0.444 596 L N 0.987 122.336 121.223 0.209 0.000 2.083 596 L HA -0.073 4.267 4.340 0.000 0.000 0.209 596 L C 2.486 179.445 176.870 0.148 0.000 1.083 596 L CA 1.679 56.690 54.840 0.286 0.000 0.752 596 L CB -1.003 41.203 42.059 0.246 0.000 0.899 596 L HN 0.175 nan 8.230 nan 0.000 0.433 597 T N -0.283 114.225 114.554 -0.077 0.000 2.708 597 T HA -0.169 4.181 4.350 0.000 0.000 0.266 597 T C 1.913 176.523 174.700 -0.150 0.000 1.037 597 T CA 1.364 63.303 62.100 -0.269 0.000 1.146 597 T CB -0.509 67.753 68.868 -1.011 0.000 0.865 597 T HN 0.534 nan 8.240 nan 0.000 0.435 598 A N 1.482 124.228 122.820 -0.125 0.000 1.908 598 A HA -0.085 4.235 4.320 0.000 0.000 0.218 598 A C 2.319 179.878 177.584 -0.042 0.000 1.181 598 A CA 1.934 53.939 52.037 -0.054 0.000 0.627 598 A CB -0.742 18.248 19.000 -0.017 0.000 0.818 598 A HN 0.553 nan 8.150 nan 0.000 0.445 599 M N -0.326 119.258 119.600 -0.027 0.000 2.117 599 M HA -0.137 4.343 4.480 0.000 0.000 0.262 599 M C 2.113 178.331 176.300 -0.135 0.000 1.065 599 M CA 2.093 57.347 55.300 -0.076 0.000 1.114 599 M CB -0.179 32.375 32.600 -0.077 0.000 1.361 599 M HN 0.358 nan 8.290 nan 0.000 0.408 600 S N 1.324 116.943 115.700 -0.134 0.000 2.359 600 S HA -0.158 4.312 4.470 0.000 0.000 0.224 600 S C 1.750 176.167 174.600 -0.305 0.000 1.035 600 S CA 1.698 59.752 58.200 -0.245 0.000 1.018 600 S CB -0.645 62.366 63.200 -0.315 0.000 0.876 600 S HN 0.540 nan 8.310 nan 0.000 0.448 601 L N 1.158 122.241 121.223 -0.234 0.000 2.042 601 L HA -0.168 4.172 4.340 0.000 0.000 0.210 601 L C 2.790 179.531 176.870 -0.215 0.000 1.076 601 L CA 1.246 55.953 54.840 -0.222 0.000 0.749 601 L CB -0.767 41.230 42.059 -0.102 0.000 0.893 601 L HN 0.327 nan 8.230 nan 0.000 0.432 602 A N 0.356 123.045 122.820 -0.219 0.000 1.902 602 A HA -0.168 4.152 4.320 0.000 0.000 0.217 602 A C 2.238 179.507 177.584 -0.524 0.000 1.181 602 A CA 1.482 53.270 52.037 -0.414 0.000 0.623 602 A CB -0.638 18.136 19.000 -0.377 0.000 0.818 602 A HN 0.350 nan 8.150 nan 0.000 0.443 603 I N -0.547 119.815 120.570 -0.346 0.000 2.127 603 I HA -0.308 3.863 4.170 0.000 0.000 0.241 603 I C 2.566 178.521 176.117 -0.270 0.000 1.075 603 I CA 1.960 63.091 61.300 -0.281 0.000 1.334 603 I CB -0.333 37.525 38.000 -0.236 0.000 1.040 603 I HN 0.365 nan 8.210 nan 0.000 0.405 604 K N 0.568 120.804 120.400 -0.274 0.000 2.044 604 K HA -0.271 4.049 4.320 0.000 0.000 0.210 604 K C 2.391 178.896 176.600 -0.159 0.000 1.049 604 K CA 2.148 58.300 56.287 -0.225 0.000 0.927 604 K CB -0.208 32.126 32.500 -0.277 0.000 0.713 604 K HN 0.177 nan 8.250 nan 0.000 0.443 605 S N 0.098 115.687 115.700 -0.186 0.000 2.359 605 S HA -0.193 4.277 4.470 0.000 0.000 0.224 605 S C 2.133 176.617 174.600 -0.193 0.000 1.035 605 S CA 1.633 59.758 58.200 -0.125 0.000 1.018 605 S CB -0.528 62.646 63.200 -0.043 0.000 0.876 605 S HN 0.564 nan 8.310 nan 0.000 0.448 606 C N 1.530 120.623 119.300 -0.345 0.000 2.411 606 C HA -0.040 4.420 4.460 0.000 0.000 0.279 606 C C 2.516 177.416 174.990 -0.151 0.000 1.288 606 C CA 0.921 59.763 59.018 -0.294 0.000 1.764 606 C CB -1.575 25.961 27.740 -0.339 0.000 1.974 606 C HN 0.689 nan 8.230 nan 0.000 0.498 607 E N -0.705 119.432 120.200 -0.104 0.000 2.110 607 E HA -0.242 4.108 4.350 0.000 0.000 0.193 607 E C 1.845 178.449 176.600 0.007 0.000 0.988 607 E CA 1.441 57.814 56.400 -0.045 0.000 0.804 607 E CB -0.301 29.369 29.700 -0.050 0.000 0.745 607 E HN 0.840 nan 8.360 nan 0.000 0.458 608 Y N 1.318 121.582 120.300 -0.061 0.000 2.163 608 Y HA -0.201 4.349 4.550 0.000 0.000 0.288 608 Y C 1.997 177.926 175.900 0.049 0.000 1.136 608 Y CA 1.431 59.540 58.100 0.015 0.000 1.147 608 Y CB -0.160 38.343 38.460 0.072 0.000 0.987 608 Y HN -0.074 nan 8.280 nan 0.000 0.509 609 I N 0.462 121.074 120.570 0.071 0.000 2.151 609 I HA -0.376 3.794 4.170 0.000 0.000 0.243 609 I C 2.384 178.537 176.117 0.061 0.000 1.080 609 I CA 1.820 63.127 61.300 0.010 0.000 1.339 609 I CB -0.430 37.360 38.000 -0.351 0.000 1.039 609 I HN 0.199 nan 8.210 nan 0.000 0.409 610 K N 0.264 120.665 120.400 0.001 0.000 2.152 610 K HA -0.214 4.106 4.320 0.000 0.000 0.206 610 K C 2.017 178.668 176.600 0.085 0.000 1.048 610 K CA 1.294 57.654 56.287 0.121 0.000 0.933 610 K CB -0.110 32.435 32.500 0.075 0.000 0.721 610 K HN 0.478 nan 8.250 nan 0.000 0.447 611 Q N -0.362 119.418 119.800 -0.033 0.000 2.432 611 Q HA 0.033 4.373 4.340 0.000 0.000 0.205 611 Q C 0.970 176.867 176.000 -0.172 0.000 0.945 611 Q CA 0.529 56.273 55.803 -0.099 0.000 0.924 611 Q CB 0.366 29.012 28.738 -0.153 0.000 1.016 611 Q HN 0.292 nan 8.270 nan 0.000 0.503 612 N N -0.971 117.607 118.700 -0.204 0.000 2.166 612 N HA 0.160 4.900 4.740 0.000 0.000 0.213 612 N C -0.882 174.299 175.510 -0.550 0.000 1.222 612 N CA 0.249 53.057 53.050 -0.402 0.000 0.900 612 N CB 0.998 39.091 38.487 -0.657 0.000 1.055 612 N HN -0.003 nan 8.380 nan 0.000 0.515 613 F N 0.227 120.206 119.950 0.049 0.000 2.588 613 F HA 0.357 4.884 4.527 0.000 0.000 0.310 613 F C 0.031 175.963 175.800 0.219 0.000 1.082 613 F CA -0.673 57.415 58.000 0.147 0.000 0.929 613 F CB 1.997 41.099 39.000 0.170 0.000 1.254 613 F HN -0.389 nan 8.300 nan 0.000 0.455 614 T N 3.228 117.966 114.554 0.307 0.000 2.797 614 T HA 0.444 4.794 4.350 0.000 0.000 0.279 614 T C -2.648 172.060 174.700 0.013 0.000 0.991 614 T CA -1.507 60.655 62.100 0.104 0.000 0.979 614 T CB 1.458 70.349 68.868 0.038 0.000 0.943 614 T HN 0.115 nan 8.240 nan 0.000 0.444 615 P HA 0.141 nan 4.420 nan 0.000 0.266 615 P C -0.039 177.190 177.300 -0.119 0.000 1.195 615 P CA -0.385 62.474 63.100 -0.401 0.000 0.768 615 P CB 0.321 31.654 31.700 -0.612 0.000 0.838 616 S N 3.184 118.859 115.700 -0.041 0.000 2.584 616 S HA 0.365 4.835 4.470 0.000 0.000 0.270 616 S C -2.266 172.329 174.600 -0.008 0.000 1.346 616 S CA -0.995 57.199 58.200 -0.010 0.000 1.018 616 S CB -0.599 62.599 63.200 -0.004 0.000 0.899 616 S HN 0.243 nan 8.310 nan 0.000 0.542 617 P HA 0.264 nan 4.420 nan 0.000 0.275 617 P C -0.891 176.484 177.300 0.126 0.000 1.227 617 P CA -0.552 62.581 63.100 0.054 0.000 0.781 617 P CB 0.141 31.864 31.700 0.038 0.000 0.906 618 F N 3.247 123.179 119.950 -0.029 0.000 2.421 618 F HA 0.529 5.056 4.527 0.000 0.000 0.358 618 F C 0.087 175.877 175.800 -0.017 0.000 1.115 618 F CA 0.109 58.097 58.000 -0.020 0.000 1.160 618 F CB -0.015 38.975 39.000 -0.017 0.000 1.123 618 F HN 0.222 nan 8.300 nan 0.000 0.508 619 T N 0.000 114.879 114.554 0.542 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.252 62.100 0.253 0.000 1.349 619 T CB 0.000 68.937 68.868 0.115 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658