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 2igk_1_D DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 0.000 176.237 176.300 -0.104 0.000 1.140 43 M CA 0.000 55.254 55.300 -0.077 0.000 0.988 43 M CB 0.000 32.409 32.600 -0.319 0.000 1.302 44 D N 4.109 124.488 120.400 -0.035 0.000 2.478 44 D HA 0.168 4.809 4.640 0.001 0.000 0.234 44 D C 0.859 177.097 176.300 -0.103 0.000 1.154 44 D CA 0.613 54.530 54.000 -0.138 0.000 0.874 44 D CB 0.872 41.448 40.800 -0.373 0.000 1.198 44 D HN 0.709 nan 8.370 nan 0.000 0.455 45 I N -1.368 119.129 120.570 -0.121 0.000 4.009 45 I HA 0.279 4.450 4.170 0.001 0.000 0.331 45 I C 0.067 176.181 176.117 -0.005 0.000 1.462 45 I CA -0.491 60.808 61.300 -0.002 0.000 1.117 45 I CB 0.324 38.329 38.000 0.008 0.000 1.091 45 I HN -0.056 nan 8.210 nan 0.000 0.410 46 K N 1.220 121.455 120.400 -0.275 0.000 2.507 46 K HA 0.604 4.925 4.320 0.001 0.000 0.252 46 K C -1.890 174.349 176.600 -0.602 0.000 0.943 46 K CA -0.340 55.793 56.287 -0.256 0.000 0.808 46 K CB 1.216 33.628 32.500 -0.147 0.000 1.142 46 K HN 0.157 nan 8.250 nan 0.000 0.426 47 Y N 1.072 121.366 120.300 -0.010 0.000 2.638 47 Y HA 0.272 4.822 4.550 0.001 0.000 0.339 47 Y C 0.462 176.338 175.900 -0.040 0.000 1.084 47 Y CA -0.893 57.191 58.100 -0.026 0.000 1.068 47 Y CB 1.803 40.248 38.460 -0.026 0.000 1.294 47 Y HN 0.590 nan 8.280 nan 0.000 0.480 48 D N 0.084 120.571 120.400 0.145 0.000 2.120 48 D HA 0.044 4.685 4.640 0.001 0.000 0.202 48 D C -0.284 176.008 176.300 -0.013 0.000 0.972 48 D CA 1.469 55.533 54.000 0.106 0.000 0.837 48 D CB 0.286 41.224 40.800 0.230 0.000 0.989 48 D HN 0.119 nan 8.370 nan 0.000 0.469 49 V N 1.191 121.090 119.914 -0.025 0.000 2.638 49 V HA 0.375 4.496 4.120 0.001 0.000 0.306 49 V C -0.310 175.691 176.094 -0.155 0.000 1.052 49 V CA -1.072 61.123 62.300 -0.175 0.000 0.885 49 V CB 2.431 34.128 31.823 -0.210 0.000 0.999 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 3.013 122.792 119.914 -0.224 0.000 2.513 50 V HA 0.750 4.870 4.120 0.001 0.000 0.299 50 V C -0.607 175.435 176.094 -0.088 0.000 1.035 50 V CA -0.591 61.638 62.300 -0.118 0.000 0.889 50 V CB 1.660 33.483 31.823 0.000 0.000 0.988 50 V HN 0.688 nan 8.190 nan 0.000 0.440 51 I N 4.402 124.945 120.570 -0.045 0.000 2.406 51 I HA 0.477 4.648 4.170 0.001 0.000 0.290 51 I C -0.512 175.630 176.117 0.042 0.000 0.999 51 I CA -0.923 60.336 61.300 -0.069 0.000 1.124 51 I CB 2.175 40.117 38.000 -0.096 0.000 1.289 51 I HN 0.436 nan 8.210 nan 0.000 0.441 52 V N 5.579 125.503 119.914 0.016 0.000 2.348 52 V HA 0.779 4.899 4.120 0.001 0.000 0.270 52 V C 0.488 176.590 176.094 0.014 0.000 1.037 52 V CA -0.251 62.081 62.300 0.055 0.000 0.872 52 V CB 0.525 32.353 31.823 0.009 0.000 1.002 52 V HN 1.065 nan 8.190 nan 0.000 0.464 53 G N 3.928 112.752 108.800 0.040 0.000 3.069 53 G HA2 -0.017 3.944 3.960 0.001 0.000 0.686 53 G HA3 -0.017 3.944 3.960 0.001 0.000 0.686 53 G C -0.052 174.862 174.900 0.025 0.000 1.161 53 G CA -0.251 44.862 45.100 0.022 0.000 0.804 53 G HN 1.271 nan 8.290 nan 0.000 0.608 54 S N 1.067 116.784 115.700 0.029 0.000 2.588 54 S HA 0.603 5.074 4.470 0.001 0.000 0.245 54 S C 1.306 175.918 174.600 0.019 0.000 1.021 54 S CA 0.708 58.932 58.200 0.039 0.000 1.006 54 S CB 0.630 63.865 63.200 0.058 0.000 0.830 54 S HN 1.915 nan 8.310 nan 0.000 0.468 55 G N 2.705 111.506 108.800 0.002 0.000 2.611 55 G HA2 0.385 4.346 3.960 0.001 0.000 0.273 55 G HA3 0.385 4.346 3.960 0.001 0.000 0.273 55 G C -1.153 173.726 174.900 -0.035 0.000 1.305 55 G CA -1.265 43.818 45.100 -0.027 0.000 1.010 55 G HN 0.248 nan 8.290 nan 0.000 0.509 56 P HA -0.056 nan 4.420 nan 0.000 0.222 56 P C 1.682 178.936 177.300 -0.077 0.000 1.147 56 P CA 0.702 63.757 63.100 -0.075 0.000 0.790 56 P CB 0.191 31.871 31.700 -0.035 0.000 0.780 57 I N 0.163 120.720 120.570 -0.023 0.000 2.277 57 I HA -0.029 4.142 4.170 0.001 0.000 0.243 57 I C 2.724 178.901 176.117 0.100 0.000 1.094 57 I CA 1.474 62.793 61.300 0.032 0.000 1.393 57 I CB -2.324 35.719 38.000 0.072 0.000 1.078 57 I HN -0.004 nan 8.210 nan 0.000 0.417 58 G N 0.583 109.414 108.800 0.052 0.000 2.469 58 G HA2 -0.261 3.700 3.960 0.001 0.000 0.219 58 G HA3 -0.261 3.700 3.960 0.001 0.000 0.219 58 G C 1.748 176.643 174.900 -0.008 0.000 1.150 58 G CA 1.185 46.301 45.100 0.027 0.000 0.763 58 G HN 0.424 nan 8.290 nan 0.000 0.561 59 C N 0.470 119.743 119.300 -0.045 0.000 2.446 59 C HA 0.057 4.517 4.460 0.001 0.000 0.279 59 C C 3.170 178.028 174.990 -0.220 0.000 1.366 59 C CA 1.246 60.192 59.018 -0.120 0.000 1.763 59 C CB -0.967 26.754 27.740 -0.031 0.000 1.929 59 C HN 0.448 nan 8.230 nan 0.000 0.509 60 T N 0.212 114.668 114.554 -0.162 0.000 2.708 60 T HA -0.171 4.179 4.350 0.001 0.000 0.266 60 T C 1.470 176.027 174.700 -0.239 0.000 1.037 60 T CA 1.690 63.669 62.100 -0.201 0.000 1.146 60 T CB -0.422 68.350 68.868 -0.159 0.000 0.865 60 T HN 0.571 nan 8.240 nan 0.000 0.435 61 Y N 1.428 121.587 120.300 -0.235 0.000 2.181 61 Y HA -0.066 4.484 4.550 0.001 0.000 0.288 61 Y C 2.747 178.422 175.900 -0.375 0.000 1.146 61 Y CA 0.937 58.877 58.100 -0.266 0.000 1.164 61 Y CB -0.630 37.692 38.460 -0.229 0.000 0.982 61 Y HN 0.198 nan 8.280 nan 0.000 0.515 62 A N 0.171 122.785 122.820 -0.342 0.000 1.877 62 A HA -0.229 4.092 4.320 0.001 0.000 0.216 62 A C 2.291 179.261 177.584 -1.024 0.000 1.186 62 A CA 1.822 53.399 52.037 -0.767 0.000 0.620 62 A CB -0.735 17.552 19.000 -1.189 0.000 0.822 62 A HN 0.419 nan 8.150 nan 0.000 0.443 63 R N -0.417 119.539 120.500 -0.907 0.000 2.083 63 R HA -0.159 4.181 4.340 0.001 0.000 0.237 63 R C 2.071 178.144 176.300 -0.377 0.000 1.137 63 R CA 1.732 57.451 56.100 -0.634 0.000 0.951 63 R CB -0.279 29.701 30.300 -0.534 0.000 0.851 63 R HN 0.575 nan 8.270 nan 0.000 0.434 64 E N 0.496 120.514 120.200 -0.303 0.000 2.031 64 E HA -0.194 4.156 4.350 0.001 0.000 0.193 64 E C 2.129 178.649 176.600 -0.133 0.000 0.994 64 E CA 1.352 57.652 56.400 -0.166 0.000 0.800 64 E CB -0.127 29.472 29.700 -0.169 0.000 0.752 64 E HN 0.422 nan 8.360 nan 0.000 0.447 65 L N 0.348 121.461 121.223 -0.184 0.000 2.209 65 L HA -0.051 4.290 4.340 0.001 0.000 0.207 65 L C 2.520 179.407 176.870 0.028 0.000 1.094 65 L CA 0.218 54.993 54.840 -0.108 0.000 0.790 65 L CB -0.195 41.704 42.059 -0.266 0.000 0.932 65 L HN -0.051 nan 8.230 nan 0.000 0.447 66 V N 0.516 120.359 119.914 -0.119 0.000 2.427 66 V HA -0.170 3.951 4.120 0.001 0.000 0.248 66 V C 2.594 178.696 176.094 0.014 0.000 1.051 66 V CA 2.011 64.283 62.300 -0.047 0.000 1.048 66 V CB -1.056 30.669 31.823 -0.165 0.000 0.666 66 V HN 0.553 nan 8.190 nan 0.000 0.456 67 G N -0.560 108.227 108.800 -0.021 0.000 2.443 67 G HA2 -0.090 3.871 3.960 0.001 0.000 0.219 67 G HA3 -0.090 3.871 3.960 0.001 0.000 0.219 67 G C 1.502 176.425 174.900 0.037 0.000 1.131 67 G CA 0.794 45.900 45.100 0.011 0.000 0.775 67 G HN 0.612 nan 8.290 nan 0.000 0.547 68 A N -0.461 122.405 122.820 0.075 0.000 2.251 68 A HA 0.485 4.806 4.320 0.001 0.000 0.209 68 A C 1.856 179.464 177.584 0.040 0.000 1.187 68 A CA 1.238 53.337 52.037 0.103 0.000 0.823 68 A CB -0.319 18.814 19.000 0.221 0.000 0.846 68 A HN 1.539 nan 8.150 nan 0.000 0.486 69 G N -2.193 106.635 108.800 0.047 0.000 2.134 69 G HA2 -0.241 3.719 3.960 0.001 0.000 0.209 69 G HA3 -0.241 3.719 3.960 0.001 0.000 0.209 69 G C -0.136 174.702 174.900 -0.104 0.000 0.993 69 G CA 0.013 45.094 45.100 -0.033 0.000 0.669 69 G HN 0.369 nan 8.290 nan 0.000 0.519 70 Y N 0.192 120.478 120.300 -0.023 0.000 2.301 70 Y HA 0.479 5.029 4.550 0.001 0.000 0.328 70 Y C 1.073 176.954 175.900 -0.032 0.000 1.242 70 Y CA -0.177 57.908 58.100 -0.025 0.000 1.323 70 Y CB 0.812 39.252 38.460 -0.034 0.000 1.266 70 Y HN 0.069 nan 8.280 nan 0.000 0.527 71 K N 2.588 123.062 120.400 0.123 0.000 2.273 71 K HA 0.438 4.758 4.320 0.001 0.000 0.287 71 K C -1.646 175.053 176.600 0.165 0.000 1.089 71 K CA -0.159 56.175 56.287 0.079 0.000 0.909 71 K CB 0.071 32.582 32.500 0.019 0.000 1.123 71 K HN 0.493 nan 8.250 nan 0.000 0.473 72 V N 3.331 123.324 119.914 0.131 0.000 2.459 72 V HA 0.551 4.671 4.120 0.001 0.000 0.295 72 V C -0.203 175.801 176.094 -0.150 0.000 1.029 72 V CA -0.886 61.446 62.300 0.054 0.000 0.874 72 V CB 1.409 33.307 31.823 0.127 0.000 0.985 72 V HN 0.883 nan 8.190 nan 0.000 0.438 73 A N 5.763 128.321 122.820 -0.436 0.000 2.340 73 A HA 0.943 5.263 4.320 0.001 0.000 0.331 73 A C -0.597 176.652 177.584 -0.558 0.000 1.140 73 A CA -0.640 50.920 52.037 -0.794 0.000 0.801 73 A CB 1.513 19.684 19.000 -1.381 0.000 1.234 73 A HN 0.907 nan 8.150 nan 0.000 0.469 74 M N 2.148 121.326 119.600 -0.703 0.000 2.326 74 M HA 0.716 5.197 4.480 0.001 0.000 0.306 74 M C -2.174 173.790 176.300 -0.561 0.000 1.054 74 M CA -0.390 54.689 55.300 -0.367 0.000 0.922 74 M CB 1.145 33.728 32.600 -0.027 0.000 1.632 74 M HN 0.594 nan 8.290 nan 0.000 0.436 75 F N 2.240 122.181 119.950 -0.014 0.000 2.480 75 F HA 0.564 5.091 4.527 0.001 0.000 0.329 75 F C -0.091 175.708 175.800 -0.001 0.000 1.091 75 F CA -0.453 57.560 58.000 0.022 0.000 0.972 75 F CB 1.473 40.473 39.000 0.001 0.000 1.150 75 F HN 0.459 nan 8.300 nan 0.000 0.467 76 D N 2.752 123.249 120.400 0.163 0.000 2.896 76 D HA 0.224 4.864 4.640 0.001 0.000 0.241 76 D C 0.517 176.846 176.300 0.049 0.000 1.188 76 D CA -0.310 53.735 54.000 0.075 0.000 0.879 76 D CB 2.460 43.284 40.800 0.040 0.000 1.553 76 D HN 0.655 nan 8.370 nan 0.000 0.515 77 I N 2.040 122.590 120.570 -0.032 0.000 2.614 77 I HA 0.030 4.201 4.170 0.001 0.000 0.258 77 I C 1.106 177.185 176.117 -0.064 0.000 1.189 77 I CA 0.736 61.975 61.300 -0.103 0.000 1.462 77 I CB 0.168 37.988 38.000 -0.300 0.000 1.092 77 I HN 0.320 nan 8.210 nan 0.000 0.442 78 G N 0.105 108.883 108.800 -0.036 0.000 2.543 78 G HA2 0.374 4.335 3.960 0.001 0.000 0.290 78 G HA3 0.374 4.335 3.960 0.001 0.000 0.290 78 G C -0.820 174.098 174.900 0.030 0.000 1.310 78 G CA -0.418 44.685 45.100 0.006 0.000 1.025 78 G HN 0.340 nan 8.290 nan 0.000 0.502 79 E N -1.458 118.766 120.200 0.040 0.000 2.339 79 E HA 0.383 4.734 4.350 0.001 0.000 0.262 79 E C -0.577 176.047 176.600 0.041 0.000 0.934 79 E CA -0.775 55.650 56.400 0.042 0.000 0.802 79 E CB 2.509 32.236 29.700 0.046 0.000 1.275 79 E HN 0.275 nan 8.360 nan 0.000 0.427 80 I N 2.578 123.170 120.570 0.037 0.000 2.517 80 I HA 0.026 4.197 4.170 0.001 0.000 0.285 80 I C -0.305 175.841 176.117 0.048 0.000 1.106 80 I CA 0.560 61.884 61.300 0.039 0.000 1.402 80 I CB 0.171 38.188 38.000 0.028 0.000 1.399 80 I HN 0.498 nan 8.210 nan 0.000 0.535 81 D N 3.128 123.564 120.400 0.060 0.000 3.407 81 D HA 0.057 4.698 4.640 0.001 0.000 0.291 81 D C -0.312 176.045 176.300 0.095 0.000 1.309 81 D CA -0.358 53.685 54.000 0.072 0.000 0.747 81 D CB 0.142 40.984 40.800 0.070 0.000 1.343 81 D HN 0.248 nan 8.370 nan 0.000 0.631 82 S N -0.274 115.484 115.700 0.097 0.000 2.846 82 S HA 0.627 5.098 4.470 0.001 0.000 0.249 82 S C 0.827 175.500 174.600 0.122 0.000 1.028 82 S CA 0.098 58.374 58.200 0.126 0.000 1.043 82 S CB 0.928 64.201 63.200 0.122 0.000 0.990 82 S HN 0.942 nan 8.310 nan 0.000 0.564 83 G N 1.404 110.263 108.800 0.099 0.000 2.587 83 G HA2 -0.202 3.758 3.960 0.001 0.000 0.212 83 G HA3 -0.202 3.758 3.960 0.001 0.000 0.212 83 G C 0.245 175.182 174.900 0.061 0.000 1.327 83 G CA -0.327 44.823 45.100 0.084 0.000 0.898 83 G HN 0.260 nan 8.290 nan 0.000 0.551 84 L N 0.254 121.508 121.223 0.050 0.000 2.291 84 L HA 0.119 4.460 4.340 0.001 0.000 0.214 84 L C 1.519 178.403 176.870 0.024 0.000 1.120 84 L CA 0.978 55.836 54.840 0.030 0.000 0.799 84 L CB -0.283 41.789 42.059 0.022 0.000 0.925 84 L HN 0.318 nan 8.230 nan 0.000 0.446 85 K N 1.684 122.109 120.400 0.041 0.000 2.250 85 K HA 0.320 4.641 4.320 0.001 0.000 0.285 85 K C -0.335 176.288 176.600 0.038 0.000 1.097 85 K CA -0.204 56.102 56.287 0.032 0.000 0.913 85 K CB 0.800 33.334 32.500 0.056 0.000 1.179 85 K HN 0.092 nan 8.250 nan 0.000 0.462 86 I N 2.071 122.647 120.570 0.011 0.000 2.598 86 I HA -0.041 4.130 4.170 0.001 0.000 0.284 86 I C 1.323 177.459 176.117 0.030 0.000 1.140 86 I CA 0.690 62.001 61.300 0.019 0.000 1.420 86 I CB 0.444 38.444 38.000 -0.001 0.000 1.387 86 I HN 0.964 nan 8.210 nan 0.000 0.553 87 G N 4.255 113.086 108.800 0.051 0.000 2.148 87 G HA2 -0.200 3.760 3.960 0.001 0.000 0.254 87 G HA3 -0.200 3.760 3.960 0.001 0.000 0.254 87 G C 0.299 175.249 174.900 0.084 0.000 0.981 87 G CA 0.062 45.195 45.100 0.056 0.000 0.670 87 G HN 0.938 nan 8.290 nan 0.000 0.528 88 A N -0.466 122.421 122.820 0.111 0.000 2.246 88 A HA 0.653 4.974 4.320 0.001 0.000 0.291 88 A C 0.508 178.223 177.584 0.218 0.000 1.103 88 A CA -0.323 51.816 52.037 0.171 0.000 0.844 88 A CB 0.309 19.410 19.000 0.169 0.000 1.136 88 A HN 0.605 nan 8.150 nan 0.000 0.500 89 H N 0.408 119.609 119.070 0.219 0.000 2.899 89 H HA 0.114 4.670 4.556 0.001 0.000 0.303 89 H C 0.712 176.161 175.328 0.201 0.000 1.042 89 H CA 0.631 56.821 56.048 0.237 0.000 1.479 89 H CB 0.821 30.743 29.762 0.268 0.000 1.493 89 H HN 0.658 nan 8.280 nan 0.000 0.534 90 K N 3.338 123.949 120.400 0.352 0.000 2.362 90 K HA -0.110 4.211 4.320 0.001 0.000 0.200 90 K C 1.662 178.477 176.600 0.358 0.000 1.046 90 K CA 0.973 57.505 56.287 0.408 0.000 0.952 90 K CB 0.260 33.031 32.500 0.450 0.000 0.753 90 K HN 0.544 nan 8.250 nan 0.000 0.466 91 K N 0.268 120.730 120.400 0.103 0.000 2.505 91 K HA 0.033 4.353 4.320 0.001 0.000 0.192 91 K C 0.547 177.143 176.600 -0.008 0.000 1.025 91 K CA 0.541 56.598 56.287 -0.384 0.000 1.086 91 K CB 0.154 31.848 32.500 -1.344 0.000 0.840 91 K HN -0.070 nan 8.250 nan 0.000 0.514 92 N N 2.090 120.889 118.700 0.165 0.000 2.461 92 N HA -0.046 4.694 4.740 0.001 0.000 0.188 92 N C -0.010 175.679 175.510 0.298 0.000 1.134 92 N CA 0.706 53.860 53.050 0.173 0.000 0.878 92 N CB 0.251 38.893 38.487 0.257 0.000 0.972 92 N HN 0.480 nan 8.380 nan 0.000 0.456 93 T N -2.823 111.911 114.554 0.299 0.000 2.899 93 T HA 0.194 4.544 4.350 0.001 0.000 0.295 93 T C 1.768 176.626 174.700 0.264 0.000 1.033 93 T CA -0.681 61.584 62.100 0.275 0.000 1.084 93 T CB 1.402 70.386 68.868 0.194 0.000 0.979 93 T HN -0.199 nan 8.240 nan 0.000 0.532 94 V N 1.508 121.572 119.914 0.251 0.000 2.392 94 V HA -0.129 3.992 4.120 0.001 0.000 0.249 94 V C 2.837 178.993 176.094 0.103 0.000 1.059 94 V CA 2.307 64.741 62.300 0.223 0.000 1.051 94 V CB -1.132 30.771 31.823 0.133 0.000 0.658 94 V HN 1.004 nan 8.190 nan 0.000 0.455 95 E N -0.251 119.949 120.200 0.000 0.000 2.077 95 E HA -0.204 4.146 4.350 0.001 0.000 0.193 95 E C 1.975 178.496 176.600 -0.132 0.000 0.989 95 E CA 1.715 58.041 56.400 -0.124 0.000 0.800 95 E CB -0.324 29.218 29.700 -0.263 0.000 0.746 95 E HN 0.703 nan 8.360 nan 0.000 0.452 96 Y N 0.412 120.774 120.300 0.104 0.000 2.395 96 Y HA -0.000 4.551 4.550 0.001 0.000 0.293 96 Y C 2.222 178.140 175.900 0.030 0.000 1.123 96 Y CA 0.847 58.993 58.100 0.078 0.000 1.227 96 Y CB -0.138 38.361 38.460 0.065 0.000 1.012 96 Y HN 0.083 nan 8.280 nan 0.000 0.552 97 Q N 0.446 120.332 119.800 0.143 0.000 2.170 97 Q HA -0.160 4.181 4.340 0.001 0.000 0.203 97 Q C 1.802 177.862 176.000 0.099 0.000 0.976 97 Q CA 1.281 57.129 55.803 0.075 0.000 0.858 97 Q CB -0.127 28.629 28.738 0.030 0.000 0.907 97 Q HN 0.495 nan 8.270 nan 0.000 0.433 98 K N 0.274 120.734 120.400 0.099 0.000 2.166 98 K HA 0.058 4.379 4.320 0.001 0.000 0.201 98 K C 0.471 177.123 176.600 0.085 0.000 1.052 98 K CA 0.461 56.796 56.287 0.080 0.000 0.969 98 K CB 0.407 32.941 32.500 0.057 0.000 0.761 98 K HN 0.148 nan 8.250 nan 0.000 0.459 99 N N 1.503 120.270 118.700 0.112 0.000 2.886 99 N HA 0.072 4.813 4.740 0.001 0.000 0.285 99 N C 0.213 175.858 175.510 0.225 0.000 1.706 99 N CA -0.004 53.130 53.050 0.140 0.000 0.904 99 N CB 1.193 39.750 38.487 0.117 0.000 1.224 99 N HN 0.024 nan 8.380 nan 0.000 0.488 100 I N 0.979 121.663 120.570 0.191 0.000 2.361 100 I HA -0.204 3.967 4.170 0.001 0.000 0.251 100 I C 0.958 177.207 176.117 0.220 0.000 1.133 100 I CA 1.490 62.909 61.300 0.198 0.000 1.413 100 I CB 0.076 38.148 38.000 0.119 0.000 1.073 100 I HN 0.204 nan 8.210 nan 0.000 0.424 101 D N 0.741 121.265 120.400 0.208 0.000 2.309 101 D HA -0.146 4.495 4.640 0.001 0.000 0.212 101 D C 1.941 178.338 176.300 0.162 0.000 0.968 101 D CA 0.603 54.720 54.000 0.196 0.000 0.882 101 D CB 0.024 40.969 40.800 0.242 0.000 0.918 101 D HN 0.284 nan 8.370 nan 0.000 0.503 102 K N -0.098 120.437 120.400 0.225 0.000 2.365 102 K HA -0.059 4.262 4.320 0.001 0.000 0.199 102 K C 1.702 178.404 176.600 0.171 0.000 1.045 102 K CA -0.043 56.383 56.287 0.231 0.000 0.962 102 K CB -0.302 32.400 32.500 0.337 0.000 0.759 102 K HN 0.202 nan 8.250 nan 0.000 0.469 103 F N 1.313 121.232 119.950 -0.053 0.000 2.365 103 F HA -0.147 4.380 4.527 0.001 0.000 0.300 103 F C 2.043 177.717 175.800 -0.209 0.000 1.090 103 F CA 0.427 58.228 58.000 -0.332 0.000 1.408 103 F CB -0.204 38.575 39.000 -0.370 0.000 1.060 103 F HN -0.241 nan 8.300 nan 0.000 0.534 104 V N 0.705 120.523 119.914 -0.161 0.000 2.453 104 V HA -0.374 3.747 4.120 0.001 0.000 0.252 104 V C 1.735 177.636 176.094 -0.321 0.000 1.068 104 V CA 2.776 64.930 62.300 -0.242 0.000 1.070 104 V CB -0.634 31.073 31.823 -0.194 0.000 0.664 104 V HN 0.464 nan 8.190 nan 0.000 0.461 105 N N -0.651 117.888 118.700 -0.268 0.000 2.216 105 N HA -0.102 4.639 4.740 0.001 0.000 0.183 105 N C 1.647 176.975 175.510 -0.303 0.000 1.017 105 N CA 1.434 54.350 53.050 -0.223 0.000 0.861 105 N CB -0.201 38.220 38.487 -0.109 0.000 0.986 105 N HN 0.415 nan 8.380 nan 0.000 0.428 106 V N 1.314 120.936 119.914 -0.487 0.000 2.295 106 V HA -0.224 3.896 4.120 0.001 0.000 0.246 106 V C 2.054 177.799 176.094 -0.581 0.000 1.049 106 V CA 1.453 63.413 62.300 -0.568 0.000 1.024 106 V CB -0.562 30.704 31.823 -0.927 0.000 0.648 106 V HN 0.293 nan 8.190 nan 0.000 0.447 107 I N -0.321 119.788 120.570 -0.769 0.000 2.127 107 I HA -0.356 3.815 4.170 0.001 0.000 0.241 107 I C 2.758 178.608 176.117 -0.445 0.000 1.075 107 I CA 1.895 62.799 61.300 -0.660 0.000 1.334 107 I CB -0.445 37.211 38.000 -0.572 0.000 1.040 107 I HN 0.344 nan 8.210 nan 0.000 0.405 108 Q N 0.286 119.884 119.800 -0.336 0.000 2.135 108 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 108 Q C 2.288 178.184 176.000 -0.174 0.000 0.981 108 Q CA 1.573 57.240 55.803 -0.226 0.000 0.856 108 Q CB -0.453 28.170 28.738 -0.192 0.000 0.902 108 Q HN 0.668 nan 8.270 nan 0.000 0.425 109 G N 1.064 109.760 108.800 -0.174 0.000 2.498 109 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 109 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 109 G C 0.895 175.746 174.900 -0.082 0.000 1.119 109 G CA 0.780 45.814 45.100 -0.110 0.000 0.766 109 G HN 0.492 nan 8.290 nan 0.000 0.552 110 Q N -0.694 119.039 119.800 -0.112 0.000 2.141 110 Q HA 0.479 4.820 4.340 0.001 0.000 0.248 110 Q C -0.379 175.601 176.000 -0.033 0.000 0.834 110 Q CA -0.297 55.479 55.803 -0.045 0.000 1.096 110 Q CB 0.224 28.962 28.738 -0.001 0.000 1.189 110 Q HN 0.239 nan 8.270 nan 0.000 0.471 111 L N 2.143 123.327 121.223 -0.065 0.000 2.316 111 L HA 0.543 4.884 4.340 0.001 0.000 0.280 111 L C -0.762 176.107 176.870 -0.002 0.000 1.006 111 L CA -0.747 54.076 54.840 -0.028 0.000 0.836 111 L CB 1.568 43.579 42.059 -0.080 0.000 1.221 111 L HN 0.255 nan 8.230 nan 0.000 0.418 112 M N 2.082 121.707 119.600 0.042 0.000 2.149 112 M HA 0.329 4.810 4.480 0.001 0.000 0.342 112 M C 0.074 176.410 176.300 0.061 0.000 1.068 112 M CA -0.474 54.857 55.300 0.051 0.000 0.991 112 M CB 1.238 33.890 32.600 0.085 0.000 1.596 112 M HN 0.348 nan 8.290 nan 0.000 0.439 113 S N 1.896 117.619 115.700 0.038 0.000 2.558 113 S HA 0.115 4.586 4.470 0.001 0.000 0.293 113 S C 1.665 176.303 174.600 0.063 0.000 1.292 113 S CA -0.496 57.728 58.200 0.041 0.000 1.063 113 S CB 0.816 64.026 63.200 0.017 0.000 0.831 113 S HN 0.542 nan 8.310 nan 0.000 0.499 114 V N 2.445 122.412 119.914 0.089 0.000 2.323 114 V HA 0.002 4.123 4.120 0.001 0.000 0.244 114 V C 1.191 177.288 176.094 0.005 0.000 1.041 114 V CA 1.432 63.776 62.300 0.072 0.000 1.025 114 V CB 0.042 31.958 31.823 0.154 0.000 0.656 114 V HN 0.793 nan 8.190 nan 0.000 0.451 115 S N -0.619 115.107 115.700 0.043 0.000 2.720 115 S HA 0.538 5.009 4.470 0.001 0.000 0.278 115 S C -1.147 173.458 174.600 0.007 0.000 1.172 115 S CA -0.452 57.738 58.200 -0.017 0.000 1.019 115 S CB 1.520 64.681 63.200 -0.064 0.000 1.049 115 S HN -0.002 nan 8.310 nan 0.000 0.483 116 V N 7.684 127.587 119.914 -0.018 0.000 2.357 116 V HA 0.553 4.674 4.120 0.001 0.000 0.284 116 V C -2.035 174.040 176.094 -0.032 0.000 1.018 116 V CA -1.820 60.468 62.300 -0.021 0.000 0.841 116 V CB 1.485 33.295 31.823 -0.023 0.000 0.991 116 V HN 0.691 nan 8.190 nan 0.000 0.437 117 P HA 0.183 nan 4.420 nan 0.000 0.274 117 P C -0.155 177.117 177.300 -0.046 0.000 1.246 117 P CA -0.179 62.899 63.100 -0.036 0.000 0.795 117 P CB 0.803 32.482 31.700 -0.035 0.000 1.006 118 V N 2.136 122.026 119.914 -0.040 0.000 2.599 118 V HA -0.041 4.079 4.120 0.001 0.000 0.300 118 V C 1.257 177.296 176.094 -0.092 0.000 1.034 118 V CA 0.225 62.496 62.300 -0.047 0.000 1.115 118 V CB -0.701 31.117 31.823 -0.008 0.000 0.934 118 V HN 0.614 nan 8.190 nan 0.000 0.485 119 N N 3.527 122.164 118.700 -0.106 0.000 2.488 119 N HA 0.109 4.850 4.740 0.001 0.000 0.274 119 N C 0.560 175.886 175.510 -0.308 0.000 1.111 119 N CA 0.381 53.339 53.050 -0.152 0.000 0.974 119 N CB 1.584 40.012 38.487 -0.099 0.000 1.089 119 N HN 0.870 nan 8.380 nan 0.000 0.465 120 T N 0.820 115.075 114.554 -0.499 0.000 3.252 120 T HA 0.276 4.626 4.350 0.001 0.000 0.286 120 T C 0.752 174.994 174.700 -0.763 0.000 1.013 120 T CA -0.449 60.935 62.100 -1.194 0.000 0.914 120 T CB -0.463 67.803 68.868 -1.005 0.000 1.131 120 T HN 0.271 nan 8.240 nan 0.000 0.529 121 L N 1.863 122.900 121.223 -0.309 0.000 2.416 121 L HA 0.406 4.746 4.340 0.001 0.000 0.272 121 L C 0.043 176.959 176.870 0.076 0.000 1.161 121 L CA -0.791 53.989 54.840 -0.099 0.000 0.845 121 L CB 0.926 42.956 42.059 -0.049 0.000 1.119 121 L HN 0.063 nan 8.230 nan 0.000 0.464 122 V N 4.489 124.468 119.914 0.108 0.000 2.383 122 V HA 0.189 4.309 4.120 0.001 0.000 0.275 122 V C 0.154 176.314 176.094 0.110 0.000 1.036 122 V CA -0.479 61.935 62.300 0.190 0.000 0.889 122 V CB 1.588 33.506 31.823 0.159 0.000 0.985 122 V HN 0.415 nan 8.190 nan 0.000 0.459 123 V N 5.390 125.370 119.914 0.110 0.000 2.311 123 V HA 0.345 4.465 4.120 0.001 0.000 0.275 123 V C 0.200 176.325 176.094 0.053 0.000 1.022 123 V CA -0.440 61.902 62.300 0.069 0.000 0.830 123 V CB 1.322 33.187 31.823 0.070 0.000 1.012 123 V HN 1.060 nan 8.190 nan 0.000 0.452 124 D N 1.976 122.399 120.400 0.039 0.000 2.538 124 D HA 0.014 4.655 4.640 0.001 0.000 0.231 124 D C 1.087 177.396 176.300 0.016 0.000 1.229 124 D CA 0.159 54.173 54.000 0.023 0.000 0.828 124 D CB 0.383 41.195 40.800 0.020 0.000 1.035 124 D HN 0.544 nan 8.370 nan 0.000 0.495 125 T N -1.731 112.836 114.554 0.020 0.000 3.215 125 T HA 0.338 4.689 4.350 0.001 0.000 0.271 125 T C 0.683 175.395 174.700 0.019 0.000 1.012 125 T CA -0.562 61.548 62.100 0.017 0.000 0.899 125 T CB -0.292 68.586 68.868 0.017 0.000 1.089 125 T HN 0.019 nan 8.240 nan 0.000 0.552 126 L N 1.985 123.222 121.223 0.022 0.000 2.467 126 L HA 0.309 4.649 4.340 0.001 0.000 0.270 126 L C 1.157 178.039 176.870 0.019 0.000 1.205 126 L CA -0.544 54.312 54.840 0.027 0.000 0.828 126 L CB 0.357 42.438 42.059 0.036 0.000 1.101 126 L HN 0.264 nan 8.230 nan 0.000 0.479 127 S N 1.892 117.605 115.700 0.023 0.000 2.560 127 S HA 0.096 4.567 4.470 0.001 0.000 0.284 127 S C -1.448 173.158 174.600 0.011 0.000 1.327 127 S CA -0.990 57.220 58.200 0.017 0.000 1.055 127 S CB 0.786 63.999 63.200 0.022 0.000 0.868 127 S HN 0.407 nan 8.310 nan 0.000 0.506 128 P HA -0.083 nan 4.420 nan 0.000 0.220 128 P C 1.331 178.630 177.300 -0.002 0.000 1.144 128 P CA 1.393 64.488 63.100 -0.008 0.000 0.800 128 P CB -0.197 31.498 31.700 -0.009 0.000 0.772 129 T N -5.572 108.990 114.554 0.013 0.000 3.055 129 T HA 0.079 4.430 4.350 0.001 0.000 0.265 129 T C 1.010 175.739 174.700 0.048 0.000 1.111 129 T CA 0.128 62.243 62.100 0.025 0.000 1.118 129 T CB -0.554 68.331 68.868 0.028 0.000 0.909 129 T HN -0.090 nan 8.240 nan 0.000 0.501 130 S N 1.298 117.031 115.700 0.054 0.000 2.565 130 S HA 0.296 4.767 4.470 0.001 0.000 0.276 130 S C -0.551 174.128 174.600 0.131 0.000 1.326 130 S CA -1.021 57.240 58.200 0.102 0.000 1.045 130 S CB 0.205 63.462 63.200 0.094 0.000 0.918 130 S HN 0.595 nan 8.310 nan 0.000 0.505 131 W N 3.517 124.825 121.300 0.013 0.000 2.264 131 W HA 0.224 4.885 4.660 0.001 0.000 0.331 131 W C 0.258 176.793 176.519 0.026 0.000 1.364 131 W CA 0.194 57.547 57.345 0.013 0.000 1.253 131 W CB 0.200 29.667 29.460 0.012 0.000 1.215 131 W HN 0.615 nan 8.180 nan 0.000 0.561 132 Q N 5.498 124.962 119.800 -0.561 0.000 2.331 132 Q HA 0.683 5.024 4.340 0.001 0.000 0.272 132 Q C -1.275 174.247 176.000 -0.797 0.000 1.062 132 Q CA -1.024 54.536 55.803 -0.406 0.000 0.806 132 Q CB 1.805 30.419 28.738 -0.207 0.000 1.312 132 Q HN 0.587 nan 8.270 nan 0.000 0.431 133 A N 2.170 124.767 122.820 -0.372 0.000 2.371 133 A HA 0.399 4.720 4.320 0.001 0.000 0.257 133 A C 0.375 177.796 177.584 -0.271 0.000 1.089 133 A CA -0.231 51.655 52.037 -0.251 0.000 0.794 133 A CB 0.836 19.987 19.000 0.252 0.000 1.029 133 A HN 0.876 nan 8.150 nan 0.000 0.488 134 S N -0.458 115.103 115.700 -0.232 0.000 2.503 134 S HA 0.118 4.588 4.470 0.001 0.000 0.217 134 S C 0.828 175.318 174.600 -0.183 0.000 0.999 134 S CA 0.862 58.944 58.200 -0.197 0.000 0.914 134 S CB -0.100 63.004 63.200 -0.161 0.000 0.782 134 S HN 1.099 nan 8.310 nan 0.000 0.520 135 T N -1.430 113.053 114.554 -0.117 0.000 2.865 135 T HA 0.637 4.988 4.350 0.001 0.000 0.294 135 T C -1.015 173.615 174.700 -0.116 0.000 1.119 135 T CA -0.728 61.299 62.100 -0.122 0.000 1.007 135 T CB 0.734 69.638 68.868 0.059 0.000 1.225 135 T HN -0.100 nan 8.240 nan 0.000 0.515 136 F N 2.943 122.975 119.950 0.136 0.000 2.499 136 F HA 0.414 4.942 4.527 0.001 0.000 0.353 136 F C 0.349 176.196 175.800 0.079 0.000 1.196 136 F CA -1.931 56.106 58.000 0.062 0.000 1.244 136 F CB -0.843 38.166 39.000 0.014 0.000 1.577 136 F HN 0.562 nan 8.300 nan 0.000 0.614 137 F N -0.641 119.411 119.950 0.169 0.000 2.399 137 F HA 0.581 5.109 4.527 0.001 0.000 0.313 137 F C -0.019 175.853 175.800 0.120 0.000 1.202 137 F CA -1.622 56.455 58.000 0.128 0.000 1.192 137 F CB -0.188 38.879 39.000 0.111 0.000 1.256 137 F HN -0.164 nan 8.300 nan 0.000 0.558 138 V N 2.840 122.881 119.914 0.212 0.000 2.421 138 V HA 0.233 4.354 4.120 0.001 0.000 0.271 138 V C 0.116 176.211 176.094 0.001 0.000 1.031 138 V CA 0.042 62.386 62.300 0.072 0.000 1.032 138 V CB -0.704 31.187 31.823 0.113 0.000 1.009 138 V HN 0.696 nan 8.190 nan 0.000 0.477 139 R N 4.033 124.436 120.500 -0.161 0.000 2.807 139 R HA 0.498 4.838 4.340 0.001 0.000 0.276 139 R C 0.235 176.488 176.300 -0.079 0.000 0.979 139 R CA -0.916 55.076 56.100 -0.179 0.000 0.928 139 R CB 1.164 31.241 30.300 -0.372 0.000 1.191 139 R HN 0.678 nan 8.270 nan 0.000 0.471 140 N N 0.742 119.419 118.700 -0.038 0.000 2.735 140 N HA -0.189 4.552 4.740 0.001 0.000 0.248 140 N C 0.485 175.981 175.510 -0.023 0.000 1.083 140 N CA 1.478 54.510 53.050 -0.030 0.000 0.703 140 N CB -1.169 37.293 38.487 -0.041 0.000 1.005 140 N HN 1.093 nan 8.380 nan 0.000 0.550 141 G N -1.703 107.090 108.800 -0.012 0.000 2.162 141 G HA2 -0.341 3.619 3.960 0.001 0.000 0.260 141 G HA3 -0.341 3.619 3.960 0.001 0.000 0.260 141 G C 0.322 175.215 174.900 -0.012 0.000 0.976 141 G CA 1.021 46.117 45.100 -0.007 0.000 0.655 141 G HN 1.346 nan 8.290 nan 0.000 0.533 142 S N -0.533 115.154 115.700 -0.022 0.000 2.584 142 S HA 0.453 4.923 4.470 0.001 0.000 0.270 142 S C 0.141 174.729 174.600 -0.020 0.000 1.346 142 S CA 0.159 58.343 58.200 -0.027 0.000 1.018 142 S CB 1.701 64.877 63.200 -0.040 0.000 0.899 142 S HN 0.750 nan 8.310 nan 0.000 0.542 143 N N 1.857 120.538 118.700 -0.031 0.000 2.501 143 N HA 0.369 5.109 4.740 0.001 0.000 0.245 143 N C -1.760 173.733 175.510 -0.028 0.000 0.974 143 N CA -2.566 50.459 53.050 -0.042 0.000 0.941 143 N CB 1.275 39.709 38.487 -0.089 0.000 1.122 143 N HN 0.334 nan 8.380 nan 0.000 0.507 144 P HA -0.070 nan 4.420 nan 0.000 0.230 144 P C 0.311 177.631 177.300 0.034 0.000 1.158 144 P CA 0.909 64.025 63.100 0.027 0.000 0.769 144 P CB 0.547 32.279 31.700 0.053 0.000 0.807 145 E N -0.220 119.985 120.200 0.008 0.000 2.274 145 E HA -0.097 4.253 4.350 0.001 0.000 0.194 145 E C 0.927 177.533 176.600 0.010 0.000 0.996 145 E CA 0.541 56.966 56.400 0.042 0.000 0.840 145 E CB -0.117 29.552 29.700 -0.051 0.000 0.772 145 E HN 0.292 nan 8.360 nan 0.000 0.491 146 Q N 2.262 122.031 119.800 -0.052 0.000 2.295 146 Q HA 0.020 4.361 4.340 0.001 0.000 0.259 146 Q C -0.808 175.198 176.000 0.010 0.000 0.976 146 Q CA -0.139 55.633 55.803 -0.051 0.000 0.923 146 Q CB 0.761 29.456 28.738 -0.071 0.000 1.185 146 Q HN -0.187 nan 8.270 nan 0.000 0.410 147 D N 6.108 126.533 120.400 0.042 0.000 2.358 147 D HA 0.055 4.696 4.640 0.001 0.000 0.258 147 D C -1.668 174.646 176.300 0.024 0.000 1.223 147 D CA -1.846 52.179 54.000 0.042 0.000 0.886 147 D CB 1.245 42.084 40.800 0.065 0.000 1.120 147 D HN 0.442 nan 8.370 nan 0.000 0.482 148 P HA -0.099 nan 4.420 nan 0.000 0.222 148 P C 1.214 178.514 177.300 -0.000 0.000 1.147 148 P CA 0.716 63.812 63.100 -0.007 0.000 0.790 148 P CB 0.328 32.011 31.700 -0.027 0.000 0.780 149 L N -1.255 119.972 121.223 0.008 0.000 2.592 149 L HA 0.189 4.530 4.340 0.001 0.000 0.227 149 L C 1.524 178.407 176.870 0.022 0.000 1.127 149 L CA 0.194 55.040 54.840 0.010 0.000 0.884 149 L CB -0.192 41.870 42.059 0.005 0.000 1.065 149 L HN -0.178 nan 8.230 nan 0.000 0.457 150 R N -0.044 120.478 120.500 0.037 0.000 2.734 150 R HA 0.213 4.554 4.340 0.001 0.000 0.395 150 R C -0.429 175.924 176.300 0.088 0.000 1.096 150 R CA -0.271 55.864 56.100 0.058 0.000 1.071 150 R CB 0.347 30.685 30.300 0.063 0.000 1.348 150 R HN 0.055 nan 8.270 nan 0.000 0.600 151 N N 0.546 119.272 118.700 0.044 0.000 2.459 151 N HA 0.372 5.112 4.740 0.001 0.000 0.288 151 N C -0.724 174.682 175.510 -0.173 0.000 1.186 151 N CA -0.606 52.448 53.050 0.008 0.000 0.917 151 N CB 1.193 39.684 38.487 0.008 0.000 1.219 151 N HN 0.089 nan 8.380 nan 0.000 0.525 152 L N 2.061 123.011 121.223 -0.455 0.000 2.417 152 L HA 0.218 4.559 4.340 0.001 0.000 0.258 152 L C 1.453 178.111 176.870 -0.353 0.000 1.088 152 L CA -0.296 54.144 54.840 -0.667 0.000 0.975 152 L CB 0.496 41.744 42.059 -1.352 0.000 1.341 152 L HN 0.656 nan 8.230 nan 0.000 0.431 153 S N 0.067 115.664 115.700 -0.171 0.000 2.399 153 S HA -0.129 4.342 4.470 0.001 0.000 0.231 153 S C 1.782 176.338 174.600 -0.075 0.000 1.022 153 S CA 1.114 59.267 58.200 -0.078 0.000 0.983 153 S CB -0.216 62.954 63.200 -0.051 0.000 0.803 153 S HN 0.638 nan 8.310 nan 0.000 0.480 154 G N 0.522 109.260 108.800 -0.103 0.000 2.813 154 G HA2 0.093 4.054 3.960 0.001 0.000 0.209 154 G HA3 0.093 4.054 3.960 0.001 0.000 0.209 154 G C 0.559 175.416 174.900 -0.072 0.000 1.150 154 G CA -0.290 44.763 45.100 -0.078 0.000 0.785 154 G HN 0.378 nan 8.290 nan 0.000 0.535 155 Q N 0.617 120.352 119.800 -0.108 0.000 2.300 155 Q HA 0.484 4.824 4.340 0.001 0.000 0.280 155 Q C -0.089 175.941 176.000 0.049 0.000 1.033 155 Q CA 0.297 56.075 55.803 -0.042 0.000 0.903 155 Q CB 1.341 30.036 28.738 -0.072 0.000 1.195 155 Q HN 0.291 nan 8.270 nan 0.000 0.386 156 A N 2.106 124.966 122.820 0.066 0.000 2.594 156 A HA 0.747 5.067 4.320 0.001 0.000 0.291 156 A C -0.958 176.695 177.584 0.114 0.000 1.105 156 A CA -0.572 51.513 52.037 0.080 0.000 0.694 156 A CB 1.381 20.407 19.000 0.043 0.000 1.291 156 A HN 0.470 nan 8.150 nan 0.000 0.410 157 V N -2.002 117.993 119.914 0.134 0.000 2.960 157 V HA 0.936 5.056 4.120 0.001 0.000 0.315 157 V C -0.388 175.794 176.094 0.147 0.000 1.087 157 V CA -0.547 61.855 62.300 0.171 0.000 0.982 157 V CB 1.600 33.584 31.823 0.268 0.000 1.039 157 V HN 0.864 nan 8.190 nan 0.000 0.437 158 T N 2.693 117.335 114.554 0.148 0.000 2.792 158 T HA 0.586 4.937 4.350 0.001 0.000 0.280 158 T C -0.300 174.447 174.700 0.079 0.000 0.990 158 T CA -0.462 61.713 62.100 0.125 0.000 0.960 158 T CB 1.082 70.056 68.868 0.177 0.000 0.939 158 T HN 0.756 nan 8.240 nan 0.000 0.439 159 R N 2.541 123.073 120.500 0.053 0.000 2.396 159 R HA 0.600 4.941 4.340 0.001 0.000 0.292 159 R C -0.755 175.561 176.300 0.027 0.000 1.240 159 R CA -0.586 55.517 56.100 0.006 0.000 1.270 159 R CB 0.795 31.069 30.300 -0.043 0.000 1.108 159 R HN 0.533 nan 8.270 nan 0.000 0.573 160 V N -1.761 118.171 119.914 0.030 0.000 3.120 160 V HA 0.433 4.554 4.120 0.001 0.000 0.303 160 V C -0.065 176.048 176.094 0.032 0.000 1.238 160 V CA -1.174 61.150 62.300 0.040 0.000 1.008 160 V CB 1.902 33.759 31.823 0.057 0.000 1.064 160 V HN 0.128 nan 8.190 nan 0.000 0.434 161 V N 3.169 123.104 119.914 0.036 0.000 2.599 161 V HA 0.495 4.616 4.120 0.001 0.000 0.300 161 V C 1.723 177.836 176.094 0.032 0.000 1.034 161 V CA 1.964 64.285 62.300 0.034 0.000 1.115 161 V CB 0.130 31.975 31.823 0.037 0.000 0.934 161 V HN 2.127 nan 8.190 nan 0.000 0.485 162 G N 3.273 112.087 108.800 0.023 0.000 2.195 162 G HA2 -0.016 3.944 3.960 0.001 0.000 0.246 162 G HA3 -0.016 3.944 3.960 0.001 0.000 0.246 162 G C 1.006 175.884 174.900 -0.036 0.000 0.984 162 G CA 0.319 45.422 45.100 0.004 0.000 0.633 162 G HN 2.105 nan 8.290 nan 0.000 0.525 163 G N 0.181 108.971 108.800 -0.017 0.000 2.614 163 G HA2 -0.292 3.669 3.960 0.001 0.000 0.303 163 G HA3 -0.292 3.669 3.960 0.001 0.000 0.303 163 G C 1.192 176.047 174.900 -0.076 0.000 1.270 163 G CA 1.330 46.415 45.100 -0.025 0.000 0.988 163 G HN 1.102 nan 8.290 nan 0.000 0.551 164 M N 1.649 121.168 119.600 -0.134 0.000 2.619 164 M HA 0.046 4.526 4.480 0.001 0.000 0.251 164 M C 2.616 178.595 176.300 -0.534 0.000 1.106 164 M CA 1.516 56.613 55.300 -0.338 0.000 1.086 164 M CB -0.090 32.400 32.600 -0.184 0.000 1.465 164 M HN 0.672 nan 8.290 nan 0.000 0.506 165 S N -0.465 114.970 115.700 -0.442 0.000 2.603 165 S HA -0.057 4.414 4.470 0.001 0.000 0.229 165 S C 1.697 176.162 174.600 -0.225 0.000 0.972 165 S CA 1.061 58.883 58.200 -0.629 0.000 0.935 165 S CB -0.935 61.914 63.200 -0.585 0.000 0.769 165 S HN 0.565 nan 8.310 nan 0.000 0.536 166 T N -0.600 113.834 114.554 -0.200 0.000 3.085 166 T HA -0.005 4.346 4.350 0.001 0.000 0.263 166 T C 1.417 175.957 174.700 -0.268 0.000 1.127 166 T CA 0.955 62.969 62.100 -0.142 0.000 1.103 166 T CB -0.679 68.199 68.868 0.017 0.000 0.921 166 T HN 0.905 nan 8.240 nan 0.000 0.510 167 H N -2.056 116.945 119.070 -0.115 0.000 3.771 167 H HA 0.181 4.738 4.556 0.001 0.000 0.260 167 H C 0.693 176.209 175.328 0.313 0.000 1.158 167 H CA -0.949 55.169 56.048 0.115 0.000 1.170 167 H CB -0.580 29.254 29.762 0.120 0.000 1.539 167 H HN 0.477 nan 8.280 nan 0.000 0.634 168 W N 3.222 124.411 121.300 -0.184 0.000 2.186 168 W HA 0.143 4.803 4.660 0.001 0.000 0.355 168 W C -0.021 176.609 176.519 0.184 0.000 1.293 168 W CA 0.292 57.673 57.345 0.061 0.000 1.316 168 W CB -0.284 29.149 29.460 -0.044 0.000 1.212 168 W HN -0.144 nan 8.180 nan 0.000 0.610 169 T N 1.349 115.880 114.554 -0.037 0.000 3.085 169 T HA -0.013 4.338 4.350 0.001 0.000 0.263 169 T C 1.135 175.426 174.700 -0.681 0.000 1.127 169 T CA 1.206 63.131 62.100 -0.291 0.000 1.103 169 T CB -0.535 68.321 68.868 -0.021 0.000 0.921 169 T HN 0.673 nan 8.240 nan 0.000 0.510 170 C N 0.734 119.197 119.300 -1.395 0.000 4.617 170 C HA -0.116 4.344 4.460 0.001 0.000 0.260 170 C C 1.140 175.633 174.990 -0.829 0.000 1.288 170 C CA -0.754 57.217 59.018 -1.745 0.000 1.668 170 C CB -2.619 24.667 27.740 -0.757 0.000 1.518 170 C HN 0.771 nan 8.230 nan 0.000 0.708 171 A N 1.197 123.740 122.820 -0.461 0.000 2.404 171 A HA 0.543 4.863 4.320 0.001 0.000 0.273 171 A C 0.756 178.263 177.584 -0.128 0.000 1.144 171 A CA 1.176 53.104 52.037 -0.182 0.000 0.806 171 A CB 0.156 19.125 19.000 -0.052 0.000 1.080 171 A HN 1.372 nan 8.150 nan 0.000 0.509 172 T N 1.762 116.260 114.554 -0.093 0.000 3.410 172 T HA 0.527 4.878 4.350 0.001 0.000 0.328 172 T C -2.727 171.931 174.700 -0.071 0.000 1.567 172 T CA -1.477 60.600 62.100 -0.040 0.000 1.626 172 T CB 0.720 69.600 68.868 0.020 0.000 0.939 172 T HN 0.459 nan 8.240 nan 0.000 0.656 173 P HA 0.408 nan 4.420 nan 0.000 0.281 173 P C -0.224 176.928 177.300 -0.246 0.000 1.249 173 P CA -0.674 62.327 63.100 -0.165 0.000 0.810 173 P CB 1.263 32.837 31.700 -0.210 0.000 1.008 174 R N 0.814 121.086 120.500 -0.381 0.000 2.560 174 R HA 0.417 4.758 4.340 0.001 0.000 0.270 174 R C 0.056 176.212 176.300 -0.241 0.000 1.074 174 R CA -0.481 55.169 56.100 -0.749 0.000 1.140 174 R CB 0.227 29.944 30.300 -0.972 0.000 1.073 174 R HN 0.381 nan 8.270 nan 0.000 0.527 175 F N 1.876 121.579 119.950 -0.411 0.000 2.396 175 F HA 0.057 4.584 4.527 0.001 0.000 0.343 175 F C 0.965 176.580 175.800 -0.308 0.000 1.104 175 F CA -1.591 56.208 58.000 -0.335 0.000 1.161 175 F CB 0.300 39.097 39.000 -0.338 0.000 1.146 175 F HN 0.543 nan 8.300 nan 0.000 0.522 176 D N 2.475 122.807 120.400 -0.114 0.000 2.398 176 D HA 0.099 4.739 4.640 0.001 0.000 0.247 176 D C 1.088 177.308 176.300 -0.133 0.000 1.227 176 D CA -0.395 53.538 54.000 -0.111 0.000 0.980 176 D CB 0.551 41.301 40.800 -0.084 0.000 1.106 176 D HN 0.474 nan 8.370 nan 0.000 0.493 177 R N -0.342 120.103 120.500 -0.092 0.000 2.103 177 R HA -0.185 4.155 4.340 0.001 0.000 0.242 177 R C 2.072 178.318 176.300 -0.090 0.000 1.142 177 R CA 2.027 58.078 56.100 -0.082 0.000 0.960 177 R CB -0.356 29.930 30.300 -0.025 0.000 0.858 177 R HN 0.742 nan 8.270 nan 0.000 0.439 178 E N 0.480 120.626 120.200 -0.090 0.000 2.268 178 E HA -0.230 4.120 4.350 0.001 0.000 0.195 178 E C 1.291 177.795 176.600 -0.161 0.000 0.995 178 E CA 1.090 57.447 56.400 -0.073 0.000 0.836 178 E CB -0.045 29.664 29.700 0.015 0.000 0.763 178 E HN 0.479 nan 8.360 nan 0.000 0.491 179 Q N 0.137 119.749 119.800 -0.313 0.000 2.319 179 Q HA 0.178 4.519 4.340 0.001 0.000 0.209 179 Q C 0.399 176.295 176.000 -0.173 0.000 0.884 179 Q CA -0.203 55.350 55.803 -0.417 0.000 0.938 179 Q CB 0.676 28.860 28.738 -0.924 0.000 1.098 179 Q HN 0.037 nan 8.270 nan 0.000 0.517 180 R N 2.118 122.557 120.500 -0.102 0.000 2.460 180 R HA 0.304 4.645 4.340 0.001 0.000 0.303 180 R C -2.547 173.716 176.300 -0.061 0.000 0.968 180 R CA -2.116 53.922 56.100 -0.102 0.000 0.889 180 R CB 0.960 31.018 30.300 -0.403 0.000 1.123 180 R HN -0.131 nan 8.270 nan 0.000 0.455 181 P HA 0.032 nan 4.420 nan 0.000 0.271 181 P C -0.565 176.882 177.300 0.246 0.000 1.218 181 P CA -0.044 63.129 63.100 0.122 0.000 0.780 181 P CB 0.640 32.431 31.700 0.150 0.000 0.901 182 L N 3.003 124.337 121.223 0.185 0.000 2.380 182 L HA 0.142 4.483 4.340 0.001 0.000 0.273 182 L C 1.712 178.742 176.870 0.267 0.000 1.138 182 L CA -0.172 54.850 54.840 0.304 0.000 0.832 182 L CB 0.312 42.596 42.059 0.374 0.000 1.124 182 L HN 0.373 nan 8.230 nan 0.000 0.454 183 L N 3.604 125.033 121.223 0.343 0.000 2.470 183 L HA 0.192 4.533 4.340 0.001 0.000 0.219 183 L C -0.176 176.871 176.870 0.294 0.000 1.071 183 L CA 0.248 55.177 54.840 0.148 0.000 0.850 183 L CB 0.678 42.613 42.059 -0.206 0.000 1.040 183 L HN 0.326 nan 8.230 nan 0.000 0.475 184 V N 1.083 121.175 119.914 0.297 0.000 2.531 184 V HA 0.222 4.342 4.120 0.001 0.000 0.301 184 V C -0.364 175.827 176.094 0.162 0.000 1.034 184 V CA -1.036 61.375 62.300 0.185 0.000 0.865 184 V CB 1.736 33.615 31.823 0.093 0.000 0.995 184 V HN 0.192 nan 8.190 nan 0.000 0.424 185 K N 2.488 122.862 120.400 -0.043 0.000 2.154 185 K HA 0.419 4.740 4.320 0.001 0.000 0.264 185 K C -0.235 176.338 176.600 -0.045 0.000 1.008 185 K CA -0.554 55.676 56.287 -0.095 0.000 0.937 185 K CB 0.506 32.783 32.500 -0.372 0.000 1.002 185 K HN 0.665 nan 8.250 nan 0.000 0.469 186 D N 0.958 121.352 120.400 -0.010 0.000 2.692 186 D HA -0.196 4.445 4.640 0.001 0.000 0.233 186 D C -0.708 175.599 176.300 0.011 0.000 1.172 186 D CA 1.253 55.253 54.000 0.001 0.000 0.636 186 D CB -0.858 39.931 40.800 -0.018 0.000 1.028 186 D HN 0.761 nan 8.370 nan 0.000 0.419 187 D N -1.411 119.008 120.400 0.033 0.000 2.668 187 D HA 0.316 4.956 4.640 0.001 0.000 0.234 187 D C 0.907 177.243 176.300 0.060 0.000 1.349 187 D CA 0.144 54.166 54.000 0.037 0.000 0.889 187 D CB 0.327 41.142 40.800 0.026 0.000 1.520 187 D HN 0.024 nan 8.370 nan 0.000 0.521 188 A N 2.021 124.878 122.820 0.061 0.000 1.978 188 A HA -0.181 4.139 4.320 0.001 0.000 0.220 188 A C 1.654 179.285 177.584 0.078 0.000 1.170 188 A CA 1.492 53.575 52.037 0.075 0.000 0.636 188 A CB 0.013 19.049 19.000 0.060 0.000 0.810 188 A HN 0.458 nan 8.150 nan 0.000 0.448 189 D N -0.127 120.310 120.400 0.060 0.000 2.123 189 D HA 0.023 4.664 4.640 0.001 0.000 0.200 189 D C 2.300 178.638 176.300 0.064 0.000 0.976 189 D CA 1.357 55.392 54.000 0.058 0.000 0.831 189 D CB -0.435 40.390 40.800 0.042 0.000 0.974 189 D HN 0.415 nan 8.370 nan 0.000 0.469 190 A N 1.100 123.954 122.820 0.056 0.000 1.902 190 A HA -0.231 4.090 4.320 0.001 0.000 0.217 190 A C 1.974 179.600 177.584 0.070 0.000 1.181 190 A CA 2.130 54.196 52.037 0.049 0.000 0.623 190 A CB -0.681 18.340 19.000 0.036 0.000 0.818 190 A HN 0.185 nan 8.150 nan 0.000 0.443 191 D N -0.263 120.202 120.400 0.109 0.000 2.084 191 D HA -0.169 4.471 4.640 0.001 0.000 0.194 191 D C 1.297 177.756 176.300 0.265 0.000 0.990 191 D CA 1.614 55.727 54.000 0.188 0.000 0.826 191 D CB -0.145 40.792 40.800 0.228 0.000 0.971 191 D HN 0.368 nan 8.370 nan 0.000 0.453 192 D N -0.030 120.493 120.400 0.206 0.000 2.133 192 D HA -0.179 4.462 4.640 0.001 0.000 0.195 192 D C 1.988 178.395 176.300 0.180 0.000 0.997 192 D CA 1.524 55.646 54.000 0.203 0.000 0.840 192 D CB -0.604 40.273 40.800 0.127 0.000 0.947 192 D HN 0.357 nan 8.370 nan 0.000 0.452 193 A N 0.601 123.487 122.820 0.111 0.000 1.930 193 A HA -0.184 4.137 4.320 0.001 0.000 0.217 193 A C 2.149 179.757 177.584 0.040 0.000 1.175 193 A CA 1.879 53.958 52.037 0.069 0.000 0.627 193 A CB -0.469 18.555 19.000 0.040 0.000 0.815 193 A HN 0.213 nan 8.150 nan 0.000 0.443 194 E N -0.972 119.233 120.200 0.009 0.000 2.047 194 E HA -0.184 4.166 4.350 0.001 0.000 0.191 194 E C 1.672 178.165 176.600 -0.180 0.000 0.987 194 E CA 1.374 57.707 56.400 -0.113 0.000 0.799 194 E CB -0.474 29.121 29.700 -0.174 0.000 0.752 194 E HN 0.700 nan 8.360 nan 0.000 0.449 195 W N 0.888 122.152 121.300 -0.059 0.000 2.338 195 W HA -0.129 4.531 4.660 0.001 0.000 0.304 195 W C 2.138 178.649 176.519 -0.013 0.000 1.212 195 W CA 1.405 58.684 57.345 -0.110 0.000 1.264 195 W CB -0.389 29.054 29.460 -0.029 0.000 1.142 195 W HN 0.272 nan 8.180 nan 0.000 0.512 196 D N -0.150 120.410 120.400 0.266 0.000 2.097 196 D HA -0.210 4.431 4.640 0.001 0.000 0.195 196 D C 2.166 178.532 176.300 0.111 0.000 0.989 196 D CA 1.542 55.669 54.000 0.211 0.000 0.827 196 D CB -0.228 40.657 40.800 0.141 0.000 0.966 196 D HN -0.044 nan 8.370 nan 0.000 0.456 197 R N -0.251 120.265 120.500 0.027 0.000 2.083 197 R HA -0.115 4.226 4.340 0.001 0.000 0.237 197 R C 2.450 178.699 176.300 -0.084 0.000 1.137 197 R CA 1.281 57.360 56.100 -0.036 0.000 0.951 197 R CB -0.353 29.905 30.300 -0.071 0.000 0.851 197 R HN 0.268 nan 8.270 nan 0.000 0.434 198 L N -0.605 120.528 121.223 -0.150 0.000 2.017 198 L HA -0.196 4.145 4.340 0.001 0.000 0.208 198 L C 2.407 179.195 176.870 -0.137 0.000 1.073 198 L CA 1.250 55.945 54.840 -0.242 0.000 0.745 198 L CB -0.643 41.149 42.059 -0.445 0.000 0.894 198 L HN 0.213 nan 8.230 nan 0.000 0.432 199 Y N 0.455 120.752 120.300 -0.006 0.000 2.181 199 Y HA -0.235 4.316 4.550 0.001 0.000 0.288 199 Y C 2.896 178.778 175.900 -0.031 0.000 1.146 199 Y CA 1.512 59.622 58.100 0.016 0.000 1.164 199 Y CB -1.181 37.324 38.460 0.075 0.000 0.982 199 Y HN 0.146 nan 8.280 nan 0.000 0.515 200 T N -0.239 114.391 114.554 0.126 0.000 2.699 200 T HA -0.257 4.094 4.350 0.001 0.000 0.268 200 T C 1.987 176.656 174.700 -0.051 0.000 1.036 200 T CA 1.901 64.023 62.100 0.037 0.000 1.147 200 T CB -0.210 68.671 68.868 0.022 0.000 0.862 200 T HN 0.232 nan 8.240 nan 0.000 0.446 201 K N 0.700 121.011 120.400 -0.149 0.000 2.057 201 K HA 0.056 4.377 4.320 0.001 0.000 0.206 201 K C 2.528 178.824 176.600 -0.508 0.000 1.050 201 K CA 0.998 57.075 56.287 -0.352 0.000 0.935 201 K CB -0.276 31.955 32.500 -0.449 0.000 0.715 201 K HN 0.273 nan 8.250 nan 0.000 0.439 202 A N 1.285 123.917 122.820 -0.314 0.000 1.902 202 A HA -0.204 4.117 4.320 0.001 0.000 0.217 202 A C 1.793 179.397 177.584 0.034 0.000 1.181 202 A CA 1.759 53.685 52.037 -0.185 0.000 0.623 202 A CB -0.463 18.536 19.000 -0.002 0.000 0.818 202 A HN 0.444 nan 8.150 nan 0.000 0.443 203 E N -0.622 119.634 120.200 0.093 0.000 2.150 203 E HA -0.120 4.231 4.350 0.001 0.000 0.193 203 E C 2.218 178.911 176.600 0.154 0.000 0.985 203 E CA 1.045 57.545 56.400 0.167 0.000 0.814 203 E CB -0.125 29.643 29.700 0.113 0.000 0.752 203 E HN 0.610 nan 8.360 nan 0.000 0.466 204 S N -0.346 115.398 115.700 0.072 0.000 2.368 204 S HA -0.149 4.322 4.470 0.001 0.000 0.224 204 S C 1.796 176.540 174.600 0.239 0.000 1.029 204 S CA 0.778 59.045 58.200 0.112 0.000 0.988 204 S CB -0.190 63.042 63.200 0.052 0.000 0.838 204 S HN 0.256 nan 8.310 nan 0.000 0.462 205 Y N 0.400 120.704 120.300 0.006 0.000 2.165 205 Y HA -0.006 4.544 4.550 0.001 0.000 0.286 205 Y C 2.072 177.978 175.900 0.011 0.000 1.155 205 Y CA 0.504 58.569 58.100 -0.059 0.000 1.164 205 Y CB -1.076 37.263 38.460 -0.202 0.000 0.978 205 Y HN 0.342 nan 8.280 nan 0.000 0.513 206 F N -0.041 120.065 119.950 0.260 0.000 2.743 206 F HA 0.028 4.556 4.527 0.001 0.000 0.297 206 F C 0.877 176.793 175.800 0.193 0.000 1.131 206 F CA 0.307 58.450 58.000 0.239 0.000 1.426 206 F CB -0.226 38.938 39.000 0.273 0.000 1.116 206 F HN -0.014 nan 8.300 nan 0.000 0.583 207 Q N 0.398 120.393 119.800 0.325 0.000 2.478 207 Q HA -0.181 4.159 4.340 0.001 0.000 0.286 207 Q C 0.064 176.164 176.000 0.166 0.000 1.299 207 Q CA 0.744 56.666 55.803 0.197 0.000 0.826 207 Q CB -2.739 26.093 28.738 0.155 0.000 1.199 207 Q HN 0.221 nan 8.270 nan 0.000 0.451 208 T N 0.075 114.746 114.554 0.194 0.000 2.928 208 T HA 0.422 4.772 4.350 0.001 0.000 0.305 208 T C 0.788 175.531 174.700 0.072 0.000 1.035 208 T CA 0.673 62.850 62.100 0.127 0.000 1.145 208 T CB 1.214 70.166 68.868 0.141 0.000 0.963 208 T HN 0.487 nan 8.240 nan 0.000 0.545 209 G N 0.635 109.461 108.800 0.044 0.000 2.684 209 G HA2 0.551 4.512 3.960 0.001 0.000 0.290 209 G HA3 0.551 4.512 3.960 0.001 0.000 0.290 209 G C 0.017 174.936 174.900 0.031 0.000 1.425 209 G CA -0.560 44.555 45.100 0.026 0.000 0.822 209 G HN 0.639 nan 8.290 nan 0.000 0.482 210 T N -2.367 112.205 114.554 0.029 0.000 3.393 210 T HA 0.280 4.630 4.350 0.001 0.000 0.298 210 T C 0.106 174.832 174.700 0.042 0.000 1.004 210 T CA 0.479 62.608 62.100 0.048 0.000 0.956 210 T CB 0.367 69.266 68.868 0.052 0.000 1.182 210 T HN 0.511 nan 8.240 nan 0.000 0.497 211 D N 0.275 120.679 120.400 0.007 0.000 2.514 211 D HA 0.039 4.679 4.640 0.001 0.000 0.225 211 D C 1.345 177.587 176.300 -0.098 0.000 1.159 211 D CA -0.039 53.944 54.000 -0.030 0.000 0.823 211 D CB -0.096 40.678 40.800 -0.043 0.000 1.097 211 D HN 0.276 nan 8.370 nan 0.000 0.519 212 Q N -0.313 119.420 119.800 -0.112 0.000 2.364 212 Q HA 0.098 4.438 4.340 0.001 0.000 0.207 212 Q C 0.345 175.974 176.000 -0.618 0.000 0.970 212 Q CA 1.026 56.622 55.803 -0.345 0.000 0.888 212 Q CB -0.303 28.189 28.738 -0.411 0.000 0.951 212 Q HN 0.316 nan 8.270 nan 0.000 0.469 213 F N -0.273 119.518 119.950 -0.264 0.000 2.735 213 F HA 0.227 4.754 4.527 0.001 0.000 0.308 213 F C 1.290 176.874 175.800 -0.359 0.000 1.112 213 F CA -0.572 57.222 58.000 -0.343 0.000 1.235 213 F CB 0.350 39.072 39.000 -0.464 0.000 1.027 213 F HN -0.016 nan 8.300 nan 0.000 0.528 214 K N 0.553 120.871 120.400 -0.137 0.000 2.211 214 K HA -0.157 4.163 4.320 0.001 0.000 0.204 214 K C 0.740 177.267 176.600 -0.121 0.000 1.047 214 K CA 1.805 58.059 56.287 -0.055 0.000 0.935 214 K CB -0.186 32.272 32.500 -0.069 0.000 0.728 214 K HN 0.325 nan 8.250 nan 0.000 0.452 215 E N 1.578 121.598 120.200 -0.300 0.000 2.496 215 E HA 0.061 4.412 4.350 0.001 0.000 0.200 215 E C -0.768 175.707 176.600 -0.208 0.000 1.016 215 E CA -0.380 55.640 56.400 -0.632 0.000 0.962 215 E CB 0.968 30.110 29.700 -0.931 0.000 1.071 215 E HN 0.255 nan 8.360 nan 0.000 0.457 216 S N 0.344 116.057 115.700 0.022 0.000 2.531 216 S HA 0.141 4.611 4.470 0.001 0.000 0.279 216 S C 1.231 175.924 174.600 0.155 0.000 1.305 216 S CA -0.407 57.859 58.200 0.111 0.000 1.058 216 S CB 0.495 63.804 63.200 0.182 0.000 0.899 216 S HN 0.248 nan 8.310 nan 0.000 0.493 217 I N 4.676 125.210 120.570 -0.060 0.000 2.202 217 I HA -0.146 4.025 4.170 0.001 0.000 0.242 217 I C 2.751 178.689 176.117 -0.299 0.000 1.091 217 I CA 1.114 62.119 61.300 -0.491 0.000 1.368 217 I CB -0.218 37.252 38.000 -0.882 0.000 1.058 217 I HN 0.710 nan 8.210 nan 0.000 0.410 218 R N -0.464 119.955 120.500 -0.135 0.000 2.081 218 R HA -0.231 4.109 4.340 0.001 0.000 0.235 218 R C 2.360 178.691 176.300 0.053 0.000 1.131 218 R CA 1.778 57.849 56.100 -0.048 0.000 0.960 218 R CB -0.669 29.618 30.300 -0.022 0.000 0.856 218 R HN 0.431 nan 8.270 nan 0.000 0.436 219 H N 1.122 120.207 119.070 0.025 0.000 2.290 219 H HA -0.068 4.489 4.556 0.001 0.000 0.298 219 H C 1.814 177.212 175.328 0.117 0.000 1.087 219 H CA 1.971 58.057 56.048 0.064 0.000 1.291 219 H CB -0.077 29.754 29.762 0.115 0.000 1.369 219 H HN 0.120 nan 8.280 nan 0.000 0.492 220 N N 0.100 118.938 118.700 0.231 0.000 2.244 220 N HA -0.126 4.614 4.740 0.001 0.000 0.183 220 N C 2.057 177.727 175.510 0.266 0.000 1.016 220 N CA 0.992 54.209 53.050 0.278 0.000 0.866 220 N CB -0.230 38.628 38.487 0.620 0.000 0.980 220 N HN 0.323 nan 8.380 nan 0.000 0.430 221 L N 1.301 122.691 121.223 0.279 0.000 2.012 221 L HA -0.143 4.198 4.340 0.001 0.000 0.210 221 L C 2.117 179.049 176.870 0.102 0.000 1.073 221 L CA 1.431 56.431 54.840 0.268 0.000 0.748 221 L CB -0.544 41.617 42.059 0.171 0.000 0.891 221 L HN -0.121 nan 8.230 nan 0.000 0.431 222 V N -0.768 119.156 119.914 0.016 0.000 2.323 222 V HA -0.237 3.884 4.120 0.001 0.000 0.244 222 V C 2.427 178.449 176.094 -0.121 0.000 1.041 222 V CA 1.579 63.851 62.300 -0.047 0.000 1.025 222 V CB -0.666 31.102 31.823 -0.092 0.000 0.656 222 V HN 0.517 nan 8.190 nan 0.000 0.451 223 L N 1.055 122.175 121.223 -0.171 0.000 2.012 223 L HA -0.178 4.162 4.340 0.001 0.000 0.210 223 L C 2.162 178.970 176.870 -0.104 0.000 1.073 223 L CA 2.125 56.853 54.840 -0.186 0.000 0.748 223 L CB -0.923 40.988 42.059 -0.247 0.000 0.891 223 L HN 0.314 nan 8.230 nan 0.000 0.431 224 N N -0.310 118.377 118.700 -0.021 0.000 2.216 224 N HA -0.175 4.566 4.740 0.001 0.000 0.183 224 N C 1.811 177.305 175.510 -0.026 0.000 1.017 224 N CA 1.183 54.236 53.050 0.005 0.000 0.861 224 N CB -0.261 38.254 38.487 0.048 0.000 0.986 224 N HN 0.297 nan 8.380 nan 0.000 0.428 225 K N 1.336 121.718 120.400 -0.031 0.000 2.025 225 K HA 0.081 4.402 4.320 0.001 0.000 0.207 225 K C 1.901 178.451 176.600 -0.083 0.000 1.049 225 K CA 0.874 57.140 56.287 -0.035 0.000 0.933 225 K CB -0.402 32.097 32.500 -0.001 0.000 0.714 225 K HN 0.092 nan 8.250 nan 0.000 0.438 226 L N 0.120 121.217 121.223 -0.210 0.000 2.056 226 L HA -0.157 4.183 4.340 0.001 0.000 0.207 226 L C 2.267 178.944 176.870 -0.323 0.000 1.078 226 L CA 1.612 56.206 54.840 -0.410 0.000 0.749 226 L CB -0.850 40.492 42.059 -1.195 0.000 0.901 226 L HN 0.246 nan 8.230 nan 0.000 0.433 227 T N -0.630 113.779 114.554 -0.241 0.000 2.665 227 T HA -0.299 4.052 4.350 0.001 0.000 0.268 227 T C 1.786 176.536 174.700 0.085 0.000 1.035 227 T CA 1.989 64.117 62.100 0.047 0.000 1.151 227 T CB -0.167 68.739 68.868 0.064 0.000 0.862 227 T HN 0.416 nan 8.240 nan 0.000 0.438 228 E N 0.463 120.676 120.200 0.021 0.000 2.031 228 E HA -0.174 4.176 4.350 0.001 0.000 0.193 228 E C 2.255 178.854 176.600 -0.001 0.000 0.994 228 E CA 0.994 57.400 56.400 0.011 0.000 0.800 228 E CB 0.020 29.710 29.700 -0.016 0.000 0.752 228 E HN 0.352 nan 8.360 nan 0.000 0.447 229 E N -0.279 119.903 120.200 -0.030 0.000 2.160 229 E HA -0.188 4.163 4.350 0.001 0.000 0.195 229 E C 1.036 177.478 176.600 -0.262 0.000 0.991 229 E CA 1.096 57.404 56.400 -0.153 0.000 0.810 229 E CB -0.105 29.481 29.700 -0.191 0.000 0.742 229 E HN 0.493 nan 8.360 nan 0.000 0.466 230 Y N 0.349 120.687 120.300 0.063 0.000 2.658 230 Y HA 0.193 4.743 4.550 0.001 0.000 0.276 230 Y C 0.593 176.559 175.900 0.110 0.000 1.167 230 Y CA -0.383 57.794 58.100 0.128 0.000 1.230 230 Y CB 0.275 38.911 38.460 0.293 0.000 1.144 230 Y HN -0.267 nan 8.280 nan 0.000 0.529 231 K N 0.710 121.200 120.400 0.151 0.000 2.453 231 K HA 0.159 4.479 4.320 0.001 0.000 0.280 231 K C 1.201 177.860 176.600 0.098 0.000 1.045 231 K CA 1.295 57.651 56.287 0.114 0.000 1.059 231 K CB -0.088 32.446 32.500 0.058 0.000 0.901 231 K HN 0.648 nan 8.250 nan 0.000 0.475 232 G N 3.118 111.979 108.800 0.102 0.000 2.176 232 G HA2 -0.297 3.663 3.960 0.001 0.000 0.253 232 G HA3 -0.297 3.663 3.960 0.001 0.000 0.253 232 G C 0.625 175.580 174.900 0.092 0.000 0.979 232 G CA 0.628 45.776 45.100 0.079 0.000 0.641 232 G HN 0.718 nan 8.290 nan 0.000 0.530 233 Q N -1.236 118.646 119.800 0.136 0.000 2.534 233 Q HA 0.268 4.609 4.340 0.001 0.000 0.252 233 Q C 1.088 177.175 176.000 0.146 0.000 0.850 233 Q CA 0.182 56.075 55.803 0.149 0.000 0.974 233 Q CB 0.979 29.834 28.738 0.195 0.000 1.205 233 Q HN 0.482 nan 8.270 nan 0.000 0.593 234 R N 0.686 121.287 120.500 0.168 0.000 2.698 234 R HA 0.391 4.732 4.340 0.001 0.000 0.275 234 R C -1.580 174.735 176.300 0.024 0.000 1.001 234 R CA -0.702 55.403 56.100 0.008 0.000 0.896 234 R CB 1.719 31.838 30.300 -0.302 0.000 1.218 234 R HN -0.025 nan 8.270 nan 0.000 0.462 235 D N 1.557 121.898 120.400 -0.098 0.000 2.163 235 D HA 0.384 5.025 4.640 0.001 0.000 0.248 235 D C -0.709 175.420 176.300 -0.286 0.000 1.035 235 D CA 0.040 54.015 54.000 -0.041 0.000 0.872 235 D CB 1.290 42.086 40.800 -0.007 0.000 1.183 235 D HN 0.142 nan 8.370 nan 0.000 0.445 236 F N 0.768 120.720 119.950 0.003 0.000 2.522 236 F HA 0.374 4.902 4.527 0.001 0.000 0.324 236 F C 0.733 176.543 175.800 0.017 0.000 1.077 236 F CA -0.560 57.433 58.000 -0.011 0.000 0.944 236 F CB 1.817 40.804 39.000 -0.021 0.000 1.175 236 F HN 0.232 nan 8.300 nan 0.000 0.468 237 Q N 0.101 120.006 119.800 0.175 0.000 2.814 237 Q HA 0.346 4.686 4.340 0.001 0.000 0.322 237 Q C -1.648 174.459 176.000 0.179 0.000 0.861 237 Q CA -1.277 54.617 55.803 0.152 0.000 0.773 237 Q CB 1.770 30.565 28.738 0.096 0.000 1.423 237 Q HN 0.617 nan 8.270 nan 0.000 0.495 238 Q N 0.834 120.759 119.800 0.210 0.000 2.327 238 Q HA 0.326 4.667 4.340 0.001 0.000 0.254 238 Q C -0.595 175.480 176.000 0.126 0.000 0.952 238 Q CA -0.402 55.547 55.803 0.243 0.000 0.884 238 Q CB 0.686 29.545 28.738 0.200 0.000 1.224 238 Q HN 0.581 nan 8.270 nan 0.000 0.422 239 I N 5.791 126.414 120.570 0.089 0.000 2.752 239 I HA -0.036 4.134 4.170 0.001 0.000 0.289 239 I C -1.993 174.152 176.117 0.046 0.000 1.197 239 I CA -1.442 59.887 61.300 0.048 0.000 1.432 239 I CB 0.265 38.263 38.000 -0.004 0.000 1.359 239 I HN 0.472 nan 8.210 nan 0.000 0.571 240 P HA 0.238 nan 4.420 nan 0.000 0.271 240 P C -0.978 176.328 177.300 0.009 0.000 1.233 240 P CA 0.119 63.232 63.100 0.021 0.000 0.764 240 P CB 0.442 32.139 31.700 -0.004 0.000 0.825 241 L N 2.443 123.685 121.223 0.031 0.000 2.365 241 L HA 0.634 4.975 4.340 0.001 0.000 0.273 241 L C 0.372 177.252 176.870 0.016 0.000 1.000 241 L CA -1.195 53.661 54.840 0.027 0.000 0.819 241 L CB 2.059 44.206 42.059 0.146 0.000 1.284 241 L HN 0.245 nan 8.230 nan 0.000 0.418 242 A N 3.108 125.901 122.820 -0.045 0.000 2.671 242 A HA 0.724 5.044 4.320 0.001 0.000 0.306 242 A C 0.076 177.703 177.584 0.072 0.000 1.473 242 A CA 0.157 52.216 52.037 0.037 0.000 1.155 242 A CB -0.456 18.535 19.000 -0.015 0.000 1.123 242 A HN 0.796 nan 8.150 nan 0.000 0.545 243 A N 1.884 124.707 122.820 0.004 0.000 2.590 243 A HA 0.724 5.045 4.320 0.001 0.000 0.294 243 A C -0.486 176.985 177.584 -0.188 0.000 1.046 243 A CA -0.476 51.457 52.037 -0.174 0.000 0.684 243 A CB 0.749 19.452 19.000 -0.494 0.000 1.279 243 A HN 0.622 nan 8.150 nan 0.000 0.415 244 T N 1.488 115.902 114.554 -0.234 0.000 2.840 244 T HA 0.463 4.814 4.350 0.001 0.000 0.287 244 T C 0.017 174.562 174.700 -0.258 0.000 0.991 244 T CA -0.411 61.577 62.100 -0.186 0.000 0.964 244 T CB 1.095 69.915 68.868 -0.081 0.000 0.954 244 T HN 0.713 nan 8.240 nan 0.000 0.438 245 R N 2.454 122.784 120.500 -0.283 0.000 2.449 245 R HA 0.159 4.500 4.340 0.001 0.000 0.296 245 R C 0.829 177.048 176.300 -0.134 0.000 1.047 245 R CA -0.244 55.687 56.100 -0.281 0.000 1.018 245 R CB 0.361 30.461 30.300 -0.333 0.000 0.962 245 R HN 0.387 nan 8.270 nan 0.000 0.428 246 R N 1.173 121.654 120.500 -0.032 0.000 2.206 246 R HA 0.120 4.461 4.340 0.001 0.000 0.198 246 R C 0.225 176.507 176.300 -0.030 0.000 0.986 246 R CA 0.725 56.825 56.100 0.001 0.000 1.029 246 R CB 0.148 30.478 30.300 0.050 0.000 0.966 246 R HN 0.762 nan 8.270 nan 0.000 0.487 247 S N -1.750 113.940 115.700 -0.016 0.000 2.611 247 S HA 0.354 4.825 4.470 0.001 0.000 0.268 247 S C -2.651 171.919 174.600 -0.049 0.000 1.156 247 S CA -1.070 57.114 58.200 -0.028 0.000 0.817 247 S CB 2.061 65.259 63.200 -0.003 0.000 1.122 247 S HN -0.258 nan 8.310 nan 0.000 0.466 248 P HA -0.008 nan 4.420 nan 0.000 0.222 248 P C 0.936 178.215 177.300 -0.035 0.000 1.142 248 P CA 1.822 64.886 63.100 -0.061 0.000 0.788 248 P CB -0.164 31.517 31.700 -0.033 0.000 0.767 249 T N -6.666 107.898 114.554 0.018 0.000 3.231 249 T HA 0.330 4.680 4.350 0.001 0.000 0.292 249 T C -0.326 174.445 174.700 0.119 0.000 1.001 249 T CA -0.411 61.722 62.100 0.054 0.000 0.920 249 T CB -0.649 68.266 68.868 0.078 0.000 1.140 249 T HN -0.122 nan 8.240 nan 0.000 0.525 250 F N 1.333 121.223 119.950 -0.099 0.000 2.607 250 F HA 0.639 5.167 4.527 0.001 0.000 0.322 250 F C -1.740 173.932 175.800 -0.213 0.000 1.176 250 F CA -1.051 56.886 58.000 -0.105 0.000 0.977 250 F CB 1.925 40.879 39.000 -0.077 0.000 1.242 250 F HN -0.082 nan 8.300 nan 0.000 0.465 251 V N 5.304 124.846 119.914 -0.620 0.000 2.409 251 V HA 0.288 4.409 4.120 0.001 0.000 0.291 251 V C -0.389 175.144 176.094 -0.934 0.000 1.020 251 V CA -0.818 61.035 62.300 -0.745 0.000 0.848 251 V CB 1.662 32.841 31.823 -1.074 0.000 0.990 251 V HN 0.726 nan 8.190 nan 0.000 0.430 252 E N 4.560 124.475 120.200 -0.474 0.000 2.070 252 E HA 0.154 4.505 4.350 0.001 0.000 0.282 252 E C -1.081 175.310 176.600 -0.349 0.000 1.104 252 E CA -0.525 55.728 56.400 -0.244 0.000 0.876 252 E CB 0.456 30.204 29.700 0.080 0.000 1.055 252 E HN 0.624 nan 8.360 nan 0.000 0.401 253 W N 3.051 124.244 121.300 -0.177 0.000 2.238 253 W HA 0.132 4.792 4.660 0.001 0.000 0.321 253 W C 0.615 177.165 176.519 0.051 0.000 1.293 253 W CA -0.594 56.636 57.345 -0.192 0.000 1.204 253 W CB 0.873 29.966 29.460 -0.612 0.000 1.167 253 W HN 0.337 nan 8.180 nan 0.000 0.553 254 S N 1.686 117.606 115.700 0.366 0.000 2.624 254 S HA 0.621 5.091 4.470 0.001 0.000 0.263 254 S C 0.148 175.194 174.600 0.744 0.000 1.287 254 S CA -0.574 57.916 58.200 0.482 0.000 0.990 254 S CB 1.100 64.602 63.200 0.503 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.734 115.335 115.700 0.615 0.000 2.703 255 S HA 0.677 5.147 4.470 0.001 0.000 0.273 255 S C 0.757 175.543 174.600 0.310 0.000 1.178 255 S CA -0.376 58.105 58.200 0.469 0.000 0.838 255 S CB 0.511 63.920 63.200 0.348 0.000 1.178 255 S HN 0.764 nan 8.310 nan 0.000 0.494 256 A N 1.619 124.519 122.820 0.133 0.000 1.927 256 A HA -0.207 4.113 4.320 0.001 0.000 0.220 256 A C 2.012 179.639 177.584 0.070 0.000 1.185 256 A CA 2.238 54.313 52.037 0.063 0.000 0.639 256 A CB -1.560 17.452 19.000 0.019 0.000 0.820 256 A HN 0.862 nan 8.150 nan 0.000 0.451 257 N N -0.553 118.199 118.700 0.087 0.000 2.104 257 N HA -0.166 4.575 4.740 0.001 0.000 0.190 257 N C 1.598 177.133 175.510 0.041 0.000 1.024 257 N CA 2.142 55.219 53.050 0.045 0.000 0.853 257 N CB -0.300 38.227 38.487 0.067 0.000 1.008 257 N HN 0.473 nan 8.380 nan 0.000 0.424 258 T N 0.643 115.270 114.554 0.121 0.000 2.720 258 T HA -0.085 4.266 4.350 0.001 0.000 0.268 258 T C 2.072 176.798 174.700 0.044 0.000 1.037 258 T CA 1.323 63.496 62.100 0.122 0.000 1.144 258 T CB -0.268 68.751 68.868 0.252 0.000 0.864 258 T HN 0.067 nan 8.240 nan 0.000 0.444 259 V N -0.571 119.349 119.914 0.010 0.000 2.323 259 V HA 0.159 4.279 4.120 0.001 0.000 0.244 259 V C 0.531 176.575 176.094 -0.084 0.000 1.041 259 V CA 0.980 63.203 62.300 -0.129 0.000 1.025 259 V CB -0.320 31.377 31.823 -0.210 0.000 0.656 259 V HN 0.477 nan 8.190 nan 0.000 0.451 260 F N 0.887 120.700 119.950 -0.227 0.000 2.605 260 F HA 0.392 4.920 4.527 0.001 0.000 0.320 260 F C 0.292 175.973 175.800 -0.199 0.000 1.159 260 F CA -1.646 56.196 58.000 -0.264 0.000 0.999 260 F CB 1.482 40.272 39.000 -0.349 0.000 1.258 260 F HN 0.162 nan 8.300 nan 0.000 0.464 261 D N 4.873 124.815 120.400 -0.764 0.000 2.371 261 D HA -0.068 4.572 4.640 0.001 0.000 0.221 261 D C 1.208 177.208 176.300 -0.500 0.000 0.986 261 D CA 1.177 54.874 54.000 -0.506 0.000 0.899 261 D CB -0.044 40.522 40.800 -0.390 0.000 0.902 261 D HN 0.698 nan 8.370 nan 0.000 0.530 262 L N -2.037 118.691 121.223 -0.826 0.000 4.884 262 L HA -0.240 4.100 4.340 0.001 0.000 0.430 262 L C -0.272 176.560 176.870 -0.063 0.000 1.087 262 L CA 0.493 55.168 54.840 -0.274 0.000 1.033 262 L CB -1.483 40.574 42.059 -0.004 0.000 2.030 262 L HN 0.232 nan 8.230 nan 0.000 0.762 263 Q N 1.201 120.865 119.800 -0.228 0.000 2.313 263 Q HA 0.189 4.529 4.340 0.001 0.000 0.266 263 Q C 0.397 176.449 176.000 0.087 0.000 0.989 263 Q CA -0.067 55.692 55.803 -0.074 0.000 0.890 263 Q CB 0.506 29.169 28.738 -0.126 0.000 1.200 263 Q HN 0.126 nan 8.270 nan 0.000 0.396 264 N N 2.404 121.154 118.700 0.083 0.000 2.292 264 N HA -0.066 4.675 4.740 0.001 0.000 0.258 264 N C -0.327 175.228 175.510 0.075 0.000 1.261 264 N CA 0.730 53.813 53.050 0.056 0.000 0.845 264 N CB 0.414 38.852 38.487 -0.083 0.000 1.064 264 N HN 0.262 nan 8.380 nan 0.000 0.471 265 R N 2.067 122.637 120.500 0.117 0.000 2.750 265 R HA 0.499 4.839 4.340 0.001 0.000 0.281 265 R C -2.392 173.936 176.300 0.046 0.000 0.972 265 R CA -1.613 54.542 56.100 0.091 0.000 0.912 265 R CB 1.873 32.254 30.300 0.135 0.000 1.187 265 R HN 0.392 nan 8.270 nan 0.000 0.464 266 P HA 0.076 nan 4.420 nan 0.000 0.272 266 P C -1.356 175.984 177.300 0.067 0.000 1.223 266 P CA -0.248 62.911 63.100 0.098 0.000 0.784 266 P CB 0.725 32.539 31.700 0.190 0.000 0.923 267 N N -1.049 117.684 118.700 0.054 0.000 2.902 267 N HA 0.249 4.990 4.740 0.001 0.000 0.268 267 N C 0.694 176.219 175.510 0.025 0.000 1.450 267 N CA -0.769 52.299 53.050 0.029 0.000 0.819 267 N CB -0.535 37.955 38.487 0.005 0.000 1.540 267 N HN 0.060 nan 8.380 nan 0.000 0.545 268 T N -0.718 113.843 114.554 0.012 0.000 2.699 268 T HA -0.140 4.211 4.350 0.001 0.000 0.268 268 T C 0.417 175.120 174.700 0.005 0.000 1.036 268 T CA 1.892 63.996 62.100 0.007 0.000 1.147 268 T CB -0.493 68.375 68.868 -0.001 0.000 0.862 268 T HN 0.522 nan 8.240 nan 0.000 0.446 269 D N 0.837 121.235 120.400 -0.004 0.000 2.234 269 D HA 0.182 4.823 4.640 0.001 0.000 0.205 269 D C 0.808 177.108 176.300 0.001 0.000 0.962 269 D CA 0.571 54.566 54.000 -0.009 0.000 0.855 269 D CB 0.064 40.847 40.800 -0.028 0.000 0.951 269 D HN 0.409 nan 8.370 nan 0.000 0.500 270 A N 0.636 123.464 122.820 0.014 0.000 3.216 270 A HA 0.330 4.651 4.320 0.001 0.000 0.321 270 A C -1.971 175.654 177.584 0.069 0.000 1.042 270 A CA -0.858 51.200 52.037 0.036 0.000 0.838 270 A CB 0.922 19.941 19.000 0.030 0.000 1.136 270 A HN -0.131 nan 8.150 nan 0.000 0.483 271 P HA -0.093 nan 4.420 nan 0.000 0.229 271 P C 0.546 177.959 177.300 0.188 0.000 1.160 271 P CA 1.094 64.256 63.100 0.102 0.000 0.777 271 P CB 0.376 32.110 31.700 0.056 0.000 0.814 272 E N -0.237 120.070 120.200 0.178 0.000 2.463 272 E HA 0.104 4.454 4.350 0.001 0.000 0.193 272 E C 0.217 176.975 176.600 0.263 0.000 1.041 272 E CA 0.023 56.593 56.400 0.283 0.000 0.879 272 E CB 0.346 30.145 29.700 0.165 0.000 0.997 272 E HN 0.496 nan 8.360 nan 0.000 0.478 273 E N 0.979 121.273 120.200 0.157 0.000 2.222 273 E HA 0.465 4.815 4.350 0.001 0.000 0.267 273 E C -0.289 176.309 176.600 -0.002 0.000 0.963 273 E CA -0.639 55.805 56.400 0.074 0.000 0.837 273 E CB 1.617 31.373 29.700 0.093 0.000 1.183 273 E HN -0.111 nan 8.360 nan 0.000 0.403 274 R N 1.646 122.129 120.500 -0.028 0.000 2.502 274 R HA 0.448 4.788 4.340 0.001 0.000 0.298 274 R C -1.632 174.738 176.300 0.118 0.000 1.018 274 R CA -0.568 55.489 56.100 -0.071 0.000 0.899 274 R CB 1.082 31.221 30.300 -0.269 0.000 1.181 274 R HN 0.415 nan 8.270 nan 0.000 0.444 275 F N 2.292 122.215 119.950 -0.046 0.000 2.623 275 F HA 0.404 4.931 4.527 0.001 0.000 0.323 275 F C -1.801 173.929 175.800 -0.117 0.000 1.158 275 F CA -0.681 57.294 58.000 -0.042 0.000 1.030 275 F CB 1.873 40.924 39.000 0.084 0.000 1.280 275 F HN 0.388 nan 8.300 nan 0.000 0.474 276 N N 4.920 122.973 118.700 -1.078 0.000 2.346 276 N HA 0.576 5.317 4.740 0.001 0.000 0.289 276 N C -1.919 172.529 175.510 -1.770 0.000 1.027 276 N CA -0.643 51.669 53.050 -1.229 0.000 0.864 276 N CB 2.250 40.193 38.487 -0.907 0.000 1.370 276 N HN 0.573 nan 8.380 nan 0.000 0.481 277 L N 2.737 123.133 121.223 -1.378 0.000 2.289 277 L HA 0.610 4.951 4.340 0.001 0.000 0.285 277 L C -1.584 174.716 176.870 -0.950 0.000 1.049 277 L CA -0.209 54.077 54.840 -0.924 0.000 0.804 277 L CB 0.009 41.889 42.059 -0.297 0.000 1.195 277 L HN 0.453 nan 8.230 nan 0.000 0.428 278 F N 6.540 126.218 119.950 -0.454 0.000 2.443 278 F HA 0.535 5.062 4.527 0.001 0.000 0.369 278 F C -2.133 173.610 175.800 -0.095 0.000 1.090 278 F CA -2.090 55.742 58.000 -0.281 0.000 1.129 278 F CB 0.740 39.514 39.000 -0.375 0.000 1.367 278 F HN 0.430 nan 8.300 nan 0.000 0.465 279 P HA 0.309 nan 4.420 nan 0.000 0.276 279 P C -0.017 177.344 177.300 0.103 0.000 1.261 279 P CA -0.219 62.925 63.100 0.073 0.000 0.800 279 P CB 0.983 32.705 31.700 0.037 0.000 1.066 280 A N -1.056 121.808 122.820 0.074 0.000 2.745 280 A HA -0.105 4.216 4.320 0.001 0.000 0.296 280 A C -0.047 177.575 177.584 0.064 0.000 1.500 280 A CA 0.780 52.854 52.037 0.061 0.000 0.766 280 A CB -2.416 16.617 19.000 0.056 0.000 1.030 280 A HN 0.253 nan 8.150 nan 0.000 0.489 281 V N -0.332 119.638 119.914 0.093 0.000 2.443 281 V HA 0.659 4.780 4.120 0.001 0.000 0.293 281 V C 0.595 176.709 176.094 0.034 0.000 1.021 281 V CA -0.344 62.015 62.300 0.098 0.000 0.848 281 V CB 1.514 33.497 31.823 0.268 0.000 0.998 281 V HN 1.454 nan 8.190 nan 0.000 0.424 282 A N 4.206 127.017 122.820 -0.015 0.000 2.347 282 A HA 0.428 4.748 4.320 0.001 0.000 0.287 282 A C 0.178 177.746 177.584 -0.026 0.000 1.199 282 A CA -0.153 51.859 52.037 -0.041 0.000 0.851 282 A CB -0.212 18.800 19.000 0.019 0.000 1.118 282 A HN 0.877 nan 8.150 nan 0.000 0.525 283 C N 3.118 122.379 119.300 -0.065 0.000 2.394 283 C HA 0.320 4.780 4.460 0.001 0.000 0.362 283 C C 1.379 176.338 174.990 -0.051 0.000 1.268 283 C CA -0.302 58.666 59.018 -0.084 0.000 1.828 283 C CB -0.531 27.151 27.740 -0.097 0.000 2.442 283 C HN 1.005 nan 8.230 nan 0.000 0.549 284 E N 1.344 121.531 120.200 -0.023 0.000 2.175 284 E HA 0.083 4.434 4.350 0.001 0.000 0.195 284 E C 0.274 176.852 176.600 -0.037 0.000 0.934 284 E CA 0.398 56.792 56.400 -0.010 0.000 0.870 284 E CB 0.383 30.101 29.700 0.029 0.000 0.838 284 E HN 0.743 nan 8.360 nan 0.000 0.474 285 R N 0.414 120.888 120.500 -0.043 0.000 2.643 285 R HA 0.454 4.795 4.340 0.001 0.000 0.269 285 R C -0.725 175.496 176.300 -0.133 0.000 1.037 285 R CA -0.812 55.229 56.100 -0.098 0.000 0.894 285 R CB 1.365 31.583 30.300 -0.137 0.000 1.238 285 R HN -0.084 nan 8.270 nan 0.000 0.459 286 V N -0.640 119.188 119.914 -0.144 0.000 2.539 286 V HA 0.609 4.730 4.120 0.001 0.000 0.292 286 V C 0.092 176.055 176.094 -0.217 0.000 1.045 286 V CA -0.841 61.336 62.300 -0.204 0.000 0.945 286 V CB 1.667 33.351 31.823 -0.231 0.000 0.993 286 V HN 0.512 nan 8.190 nan 0.000 0.464 287 V N 5.364 125.124 119.914 -0.256 0.000 2.383 287 V HA 0.476 4.597 4.120 0.001 0.000 0.275 287 V C 0.588 176.605 176.094 -0.127 0.000 1.036 287 V CA -0.501 61.670 62.300 -0.214 0.000 0.889 287 V CB 0.830 32.527 31.823 -0.209 0.000 0.985 287 V HN 0.949 nan 8.190 nan 0.000 0.459 288 R N 3.599 124.048 120.500 -0.085 0.000 2.459 288 R HA 0.340 4.681 4.340 0.001 0.000 0.281 288 R C 0.220 176.533 176.300 0.022 0.000 1.050 288 R CA -0.650 55.474 56.100 0.039 0.000 1.055 288 R CB 0.722 31.037 30.300 0.025 0.000 1.045 288 R HN 0.866 nan 8.270 nan 0.000 0.495 289 N N 1.249 119.984 118.700 0.057 0.000 2.424 289 N HA 0.020 4.760 4.740 0.001 0.000 0.257 289 N C 0.566 176.067 175.510 -0.016 0.000 1.250 289 N CA 0.056 53.112 53.050 0.011 0.000 0.946 289 N CB 0.623 39.117 38.487 0.011 0.000 1.175 289 N HN 0.583 nan 8.380 nan 0.000 0.477 290 A N 0.775 123.581 122.820 -0.023 0.000 1.978 290 A HA -0.103 4.218 4.320 0.001 0.000 0.220 290 A C 2.157 179.712 177.584 -0.049 0.000 1.170 290 A CA 1.100 53.118 52.037 -0.032 0.000 0.636 290 A CB -0.840 18.145 19.000 -0.025 0.000 0.810 290 A HN 0.668 nan 8.150 nan 0.000 0.448 291 L N -1.055 120.130 121.223 -0.064 0.000 2.552 291 L HA -0.016 4.325 4.340 0.001 0.000 0.227 291 L C 0.095 176.868 176.870 -0.162 0.000 1.146 291 L CA 0.015 54.800 54.840 -0.092 0.000 0.858 291 L CB -0.409 41.598 42.059 -0.088 0.000 0.969 291 L HN 0.390 nan 8.230 nan 0.000 0.451 292 N N 0.218 118.808 118.700 -0.184 0.000 2.725 292 N HA -0.177 4.563 4.740 0.001 0.000 0.251 292 N C 0.795 175.720 175.510 -0.975 0.000 1.031 292 N CA 1.034 53.863 53.050 -0.368 0.000 0.720 292 N CB -1.090 37.311 38.487 -0.142 0.000 0.930 292 N HN 0.535 nan 8.380 nan 0.000 0.543 293 S N -2.177 113.074 115.700 -0.748 0.000 2.687 293 S HA 0.276 4.747 4.470 0.001 0.000 0.247 293 S C 0.212 174.596 174.600 -0.359 0.000 1.050 293 S CA -0.280 57.545 58.200 -0.625 0.000 1.063 293 S CB 1.570 64.615 63.200 -0.259 0.000 1.039 293 S HN 0.362 nan 8.310 nan 0.000 0.580 294 E N 0.489 120.600 120.200 -0.149 0.000 2.363 294 E HA 0.412 4.763 4.350 0.001 0.000 0.281 294 E C -1.655 175.124 176.600 0.299 0.000 0.953 294 E CA -0.792 55.714 56.400 0.177 0.000 0.778 294 E CB 1.339 31.107 29.700 0.113 0.000 1.220 294 E HN 0.095 nan 8.360 nan 0.000 0.431 295 I N 3.377 124.090 120.570 0.237 0.000 2.428 295 I HA 0.127 4.298 4.170 0.001 0.000 0.289 295 I C 0.947 177.004 176.117 -0.099 0.000 1.019 295 I CA 0.160 61.420 61.300 -0.066 0.000 1.351 295 I CB 1.222 38.949 38.000 -0.455 0.000 1.412 295 I HN 0.689 nan 8.210 nan 0.000 0.513 296 E N 2.917 123.046 120.200 -0.118 0.000 2.447 296 E HA 0.105 4.456 4.350 0.001 0.000 0.204 296 E C 0.163 176.798 176.600 0.059 0.000 0.977 296 E CA 0.286 56.699 56.400 0.021 0.000 0.950 296 E CB 0.670 30.387 29.700 0.030 0.000 0.975 296 E HN 0.719 nan 8.360 nan 0.000 0.496 297 S N -0.313 115.329 115.700 -0.096 0.000 2.627 297 S HA 0.470 4.941 4.470 0.001 0.000 0.268 297 S C -1.677 172.897 174.600 -0.042 0.000 1.130 297 S CA -1.068 57.181 58.200 0.081 0.000 0.819 297 S CB 1.194 64.495 63.200 0.168 0.000 1.100 297 S HN 0.011 nan 8.310 nan 0.000 0.465 298 L N 1.826 123.149 121.223 0.165 0.000 2.325 298 L HA 0.570 4.911 4.340 0.001 0.000 0.281 298 L C -0.826 176.131 176.870 0.144 0.000 1.004 298 L CA -0.140 54.752 54.840 0.086 0.000 0.823 298 L CB 1.023 43.159 42.059 0.128 0.000 1.236 298 L HN 0.918 nan 8.230 nan 0.000 0.415 299 H N 6.049 125.078 119.070 -0.068 0.000 2.620 299 H HA 0.512 5.069 4.556 0.001 0.000 0.313 299 H C -0.305 174.971 175.328 -0.088 0.000 1.075 299 H CA -0.441 55.572 56.048 -0.059 0.000 1.397 299 H CB 1.293 31.024 29.762 -0.052 0.000 1.446 299 H HN 0.704 nan 8.280 nan 0.000 0.493 300 I N 0.074 120.640 120.570 -0.007 0.000 2.846 300 I HA 0.393 4.564 4.170 0.001 0.000 0.307 300 I C -0.846 175.323 176.117 0.086 0.000 1.053 300 I CA -0.937 60.334 61.300 -0.049 0.000 1.050 300 I CB 2.902 40.737 38.000 -0.275 0.000 1.239 300 I HN 0.593 nan 8.210 nan 0.000 0.439 301 H N 3.151 122.211 119.070 -0.017 0.000 2.800 301 H HA 0.230 4.786 4.556 0.001 0.000 0.322 301 H C -1.451 173.913 175.328 0.060 0.000 0.979 301 H CA -0.694 55.363 56.048 0.014 0.000 1.277 301 H CB 1.389 31.159 29.762 0.013 0.000 1.484 301 H HN 0.764 nan 8.280 nan 0.000 0.512 302 D N 5.469 125.917 120.400 0.080 0.000 2.358 302 D HA -0.006 4.635 4.640 0.001 0.000 0.258 302 D C 1.068 177.242 176.300 -0.210 0.000 1.223 302 D CA -0.015 53.994 54.000 0.016 0.000 0.886 302 D CB 1.027 41.939 40.800 0.187 0.000 1.120 302 D HN 0.682 nan 8.370 nan 0.000 0.482 303 L N 4.277 125.381 121.223 -0.198 0.000 2.313 303 L HA -0.089 4.252 4.340 0.001 0.000 0.214 303 L C 1.899 178.720 176.870 -0.082 0.000 1.119 303 L CA 0.096 54.803 54.840 -0.222 0.000 0.809 303 L CB 0.001 42.013 42.059 -0.078 0.000 0.933 303 L HN 0.510 nan 8.230 nan 0.000 0.449 304 I N -0.530 120.028 120.570 -0.020 0.000 2.296 304 I HA -0.136 4.034 4.170 0.001 0.000 0.242 304 I C 2.685 178.816 176.117 0.024 0.000 1.087 304 I CA 1.647 62.956 61.300 0.015 0.000 1.393 304 I CB -1.172 36.851 38.000 0.038 0.000 1.093 304 I HN 0.255 nan 8.210 nan 0.000 0.421 305 S N 0.233 115.958 115.700 0.042 0.000 2.470 305 S HA 0.144 4.614 4.470 0.001 0.000 0.225 305 S C 1.817 176.449 174.600 0.052 0.000 1.006 305 S CA 0.686 58.920 58.200 0.056 0.000 0.934 305 S CB 0.073 63.329 63.200 0.092 0.000 0.778 305 S HN 0.595 nan 8.310 nan 0.000 0.517 306 G N 1.132 109.964 108.800 0.053 0.000 2.179 306 G HA2 -0.204 3.757 3.960 0.001 0.000 0.260 306 G HA3 -0.204 3.757 3.960 0.001 0.000 0.260 306 G C -0.439 174.561 174.900 0.166 0.000 0.977 306 G CA 0.194 45.381 45.100 0.145 0.000 0.641 306 G HN 0.561 nan 8.290 nan 0.000 0.533 307 D N 0.506 120.946 120.400 0.066 0.000 2.341 307 D HA 0.488 5.129 4.640 0.001 0.000 0.245 307 D C 0.973 177.179 176.300 -0.157 0.000 1.106 307 D CA 0.079 53.999 54.000 -0.133 0.000 0.905 307 D CB 0.622 41.256 40.800 -0.276 0.000 1.202 307 D HN 0.376 nan 8.370 nan 0.000 0.426 308 R N 1.275 121.546 120.500 -0.382 0.000 2.532 308 R HA 0.609 4.949 4.340 0.001 0.000 0.295 308 R C -0.643 175.248 176.300 -0.681 0.000 0.968 308 R CA -0.623 55.275 56.100 -0.337 0.000 0.916 308 R CB 1.138 31.284 30.300 -0.257 0.000 1.124 308 R HN 0.301 nan 8.270 nan 0.000 0.463 309 F N -0.075 119.794 119.950 -0.136 0.000 2.613 309 F HA 0.294 4.822 4.527 0.001 0.000 0.314 309 F C -0.154 175.517 175.800 -0.215 0.000 1.075 309 F CA -1.065 56.843 58.000 -0.154 0.000 0.945 309 F CB 1.984 40.916 39.000 -0.115 0.000 1.310 309 F HN 0.342 nan 8.300 nan 0.000 0.467 310 E N 2.911 123.130 120.200 0.032 0.000 2.113 310 E HA 0.446 4.796 4.350 0.001 0.000 0.273 310 E C -1.054 175.615 176.600 0.114 0.000 0.924 310 E CA -0.608 55.812 56.400 0.034 0.000 0.764 310 E CB 1.592 31.308 29.700 0.028 0.000 1.104 310 E HN 0.228 nan 8.360 nan 0.000 0.406 311 I N 2.903 123.544 120.570 0.118 0.000 2.353 311 I HA 0.223 4.394 4.170 0.001 0.000 0.293 311 I C 0.155 176.415 176.117 0.238 0.000 0.992 311 I CA -0.896 60.494 61.300 0.149 0.000 1.268 311 I CB 1.076 39.119 38.000 0.073 0.000 1.387 311 I HN 0.423 nan 8.210 nan 0.000 0.478 312 K N 5.021 125.553 120.400 0.220 0.000 2.185 312 K HA 0.780 5.101 4.320 0.001 0.000 0.269 312 K C -0.979 175.709 176.600 0.147 0.000 0.987 312 K CA -0.287 56.136 56.287 0.225 0.000 0.865 312 K CB 1.452 34.044 32.500 0.153 0.000 1.090 312 K HN 0.787 nan 8.250 nan 0.000 0.450 313 A N 2.979 125.805 122.820 0.009 0.000 2.566 313 A HA 0.403 4.724 4.320 0.001 0.000 0.292 313 A C -0.469 176.986 177.584 -0.215 0.000 1.112 313 A CA -0.688 51.201 52.037 -0.247 0.000 0.707 313 A CB 1.051 19.671 19.000 -0.632 0.000 1.302 313 A HN 0.754 nan 8.150 nan 0.000 0.409 314 D N -0.424 119.893 120.400 -0.139 0.000 2.162 314 D HA 0.095 4.735 4.640 0.001 0.000 0.203 314 D C 0.376 176.545 176.300 -0.218 0.000 0.967 314 D CA 1.647 55.623 54.000 -0.040 0.000 0.840 314 D CB 0.136 40.973 40.800 0.062 0.000 0.972 314 D HN 0.221 nan 8.370 nan 0.000 0.482 315 V N 0.827 120.474 119.914 -0.444 0.000 2.540 315 V HA 0.280 4.401 4.120 0.001 0.000 0.302 315 V C -1.180 174.644 176.094 -0.449 0.000 1.035 315 V CA -0.858 61.174 62.300 -0.448 0.000 0.873 315 V CB 1.626 33.084 31.823 -0.608 0.000 0.992 315 V HN -0.049 nan 8.190 nan 0.000 0.428 316 Y N 2.951 123.234 120.300 -0.027 0.000 2.328 316 Y HA 0.677 5.228 4.550 0.001 0.000 0.336 316 Y C -0.088 175.779 175.900 -0.054 0.000 0.960 316 Y CA -0.911 57.165 58.100 -0.041 0.000 1.134 316 Y CB 2.067 40.504 38.460 -0.038 0.000 1.166 316 Y HN 0.351 nan 8.280 nan 0.000 0.464 317 V N 5.541 125.422 119.914 -0.055 0.000 2.444 317 V HA 0.394 4.515 4.120 0.001 0.000 0.294 317 V C -0.447 175.519 176.094 -0.213 0.000 1.022 317 V CA -0.922 61.230 62.300 -0.245 0.000 0.850 317 V CB 1.627 33.093 31.823 -0.596 0.000 0.992 317 V HN 0.590 nan 8.190 nan 0.000 0.426 318 L N 5.196 126.290 121.223 -0.215 0.000 2.262 318 L HA 0.559 4.900 4.340 0.001 0.000 0.288 318 L C 0.374 177.139 176.870 -0.175 0.000 1.035 318 L CA -0.185 54.548 54.840 -0.178 0.000 0.820 318 L CB 1.476 43.414 42.059 -0.202 0.000 1.204 318 L HN 0.807 nan 8.230 nan 0.000 0.424 319 T N -1.679 112.806 114.554 -0.114 0.000 3.624 319 T HA 0.346 4.697 4.350 0.001 0.000 0.244 319 T C 0.693 175.397 174.700 0.007 0.000 1.063 319 T CA -0.105 61.967 62.100 -0.046 0.000 1.252 319 T CB 1.004 69.843 68.868 -0.048 0.000 1.021 319 T HN 0.538 nan 8.240 nan 0.000 0.590 320 A N 0.830 123.664 122.820 0.022 0.000 2.278 320 A HA 0.748 5.068 4.320 0.001 0.000 0.212 320 A C 1.421 179.081 177.584 0.128 0.000 1.213 320 A CA 0.140 52.213 52.037 0.060 0.000 0.840 320 A CB -0.798 18.237 19.000 0.058 0.000 0.866 320 A HN 1.718 nan 8.150 nan 0.000 0.489 321 G N -2.617 106.260 108.800 0.129 0.000 2.662 321 G HA2 0.257 4.217 3.960 0.001 0.000 0.686 321 G HA3 0.257 4.217 3.960 0.001 0.000 0.686 321 G C 0.733 175.744 174.900 0.185 0.000 1.271 321 G CA -0.306 44.887 45.100 0.155 0.000 0.816 321 G HN 1.274 nan 8.290 nan 0.000 0.608 322 A N -0.397 122.519 122.820 0.161 0.000 1.972 322 A HA 0.232 4.553 4.320 0.001 0.000 0.219 322 A C 2.625 180.296 177.584 0.146 0.000 1.169 322 A CA 3.098 55.222 52.037 0.144 0.000 0.635 322 A CB -0.294 18.762 19.000 0.093 0.000 0.810 322 A HN 1.571 nan 8.150 nan 0.000 0.446 323 V N -1.032 118.931 119.914 0.081 0.000 2.346 323 V HA -0.177 3.943 4.120 0.001 0.000 0.244 323 V C 2.206 178.262 176.094 -0.064 0.000 1.037 323 V CA 2.134 64.425 62.300 -0.015 0.000 1.029 323 V CB -0.952 30.750 31.823 -0.202 0.000 0.663 323 V HN 0.726 nan 8.190 nan 0.000 0.454 324 H N -0.255 118.891 119.070 0.126 0.000 2.502 324 H HA 0.008 4.565 4.556 0.001 0.000 0.283 324 H C 2.243 177.570 175.328 -0.002 0.000 1.015 324 H CA 0.934 57.011 56.048 0.048 0.000 1.298 324 H CB 0.056 29.826 29.762 0.013 0.000 1.411 324 H HN 0.308 nan 8.280 nan 0.000 0.556 325 N N -0.169 118.603 118.700 0.120 0.000 2.120 325 N HA -0.119 4.622 4.740 0.001 0.000 0.188 325 N C 1.717 177.215 175.510 -0.021 0.000 1.024 325 N CA 1.696 54.751 53.050 0.009 0.000 0.852 325 N CB -0.454 38.020 38.487 -0.020 0.000 1.003 325 N HN 0.312 nan 8.380 nan 0.000 0.424 326 T N 0.869 115.482 114.554 0.097 0.000 2.746 326 T HA -0.170 4.180 4.350 0.001 0.000 0.267 326 T C 1.842 176.419 174.700 -0.205 0.000 1.039 326 T CA 1.133 63.288 62.100 0.092 0.000 1.142 326 T CB -0.151 68.904 68.868 0.313 0.000 0.866 326 T HN 0.380 nan 8.240 nan 0.000 0.444 327 Q N 0.363 119.933 119.800 -0.383 0.000 2.079 327 Q HA -0.018 4.322 4.340 0.001 0.000 0.200 327 Q C 2.337 178.071 176.000 -0.443 0.000 0.974 327 Q CA 1.013 56.266 55.803 -0.916 0.000 0.840 327 Q CB -0.264 28.180 28.738 -0.491 0.000 0.898 327 Q HN 0.507 nan 8.270 nan 0.000 0.430 328 L N 0.337 121.433 121.223 -0.212 0.000 2.056 328 L HA -0.169 4.171 4.340 0.001 0.000 0.207 328 L C 2.198 178.990 176.870 -0.131 0.000 1.078 328 L CA 0.867 55.622 54.840 -0.142 0.000 0.749 328 L CB -0.103 41.895 42.059 -0.101 0.000 0.901 328 L HN 0.341 nan 8.230 nan 0.000 0.433 329 L N -1.322 119.811 121.223 -0.150 0.000 2.056 329 L HA -0.211 4.130 4.340 0.001 0.000 0.207 329 L C 2.448 179.357 176.870 0.065 0.000 1.078 329 L CA 0.896 55.687 54.840 -0.082 0.000 0.749 329 L CB -0.505 41.407 42.059 -0.245 0.000 0.901 329 L HN 0.083 nan 8.230 nan 0.000 0.433 330 V N -0.058 119.819 119.914 -0.061 0.000 2.427 330 V HA -0.265 3.856 4.120 0.001 0.000 0.248 330 V C 2.125 178.191 176.094 -0.047 0.000 1.051 330 V CA 1.910 64.192 62.300 -0.030 0.000 1.048 330 V CB -0.687 31.078 31.823 -0.097 0.000 0.666 330 V HN 0.480 nan 8.190 nan 0.000 0.456 331 N N 0.210 118.843 118.700 -0.112 0.000 2.443 331 N HA -0.113 4.628 4.740 0.001 0.000 0.184 331 N C 1.458 176.935 175.510 -0.055 0.000 1.037 331 N CA 1.272 54.276 53.050 -0.078 0.000 0.896 331 N CB -0.068 38.363 38.487 -0.094 0.000 0.959 331 N HN 0.420 nan 8.380 nan 0.000 0.442 332 S N -1.488 114.199 115.700 -0.021 0.000 2.572 332 S HA 0.348 4.818 4.470 0.001 0.000 0.228 332 S C 1.040 175.573 174.600 -0.111 0.000 0.963 332 S CA 0.166 58.344 58.200 -0.037 0.000 0.939 332 S CB 0.515 63.741 63.200 0.044 0.000 0.804 332 S HN 0.516 nan 8.310 nan 0.000 0.480 333 G N 1.176 109.924 108.800 -0.087 0.000 2.157 333 G HA2 -0.250 3.711 3.960 0.001 0.000 0.248 333 G HA3 -0.250 3.711 3.960 0.001 0.000 0.248 333 G C -0.059 174.711 174.900 -0.216 0.000 0.979 333 G CA -0.419 44.587 45.100 -0.157 0.000 0.650 333 G HN 0.445 nan 8.290 nan 0.000 0.529 334 F N 0.801 120.713 119.950 -0.063 0.000 2.371 334 F HA 0.540 5.067 4.527 0.001 0.000 0.329 334 F C 1.653 177.456 175.800 0.005 0.000 1.107 334 F CA 0.908 58.885 58.000 -0.038 0.000 1.137 334 F CB 0.905 39.854 39.000 -0.085 0.000 1.214 334 F HN 0.724 nan 8.300 nan 0.000 0.536 335 G N 1.734 110.678 108.800 0.240 0.000 2.582 335 G HA2 -0.299 3.661 3.960 0.001 0.000 0.288 335 G HA3 -0.299 3.661 3.960 0.001 0.000 0.288 335 G C -0.717 174.256 174.900 0.121 0.000 1.247 335 G CA -0.014 45.191 45.100 0.174 0.000 0.972 335 G HN 0.793 nan 8.290 nan 0.000 0.557 336 Q N -1.043 118.833 119.800 0.128 0.000 2.304 336 Q HA 0.619 4.960 4.340 0.001 0.000 0.270 336 Q C -0.926 175.154 176.000 0.134 0.000 1.035 336 Q CA -0.974 54.884 55.803 0.093 0.000 0.781 336 Q CB 1.816 30.588 28.738 0.057 0.000 1.261 336 Q HN 0.770 nan 8.270 nan 0.000 0.444 337 L N 3.322 124.612 121.223 0.111 0.000 2.371 337 L HA 0.755 5.096 4.340 0.001 0.000 0.272 337 L C 0.277 177.223 176.870 0.126 0.000 1.124 337 L CA 1.636 56.569 54.840 0.155 0.000 0.816 337 L CB 1.078 43.205 42.059 0.113 0.000 1.129 337 L HN 0.819 nan 8.230 nan 0.000 0.448 338 G N 3.448 112.376 108.800 0.214 0.000 2.710 338 G HA2 -0.204 3.756 3.960 0.001 0.000 0.668 338 G HA3 -0.204 3.756 3.960 0.001 0.000 0.668 338 G C -0.569 174.192 174.900 -0.232 0.000 1.320 338 G CA -0.267 44.906 45.100 0.121 0.000 0.860 338 G HN 0.920 nan 8.290 nan 0.000 0.538 339 R N 0.685 120.786 120.500 -0.666 0.000 2.538 339 R HA 0.335 4.676 4.340 0.001 0.000 0.282 339 R C -1.890 173.936 176.300 -0.790 0.000 1.009 339 R CA -0.483 54.766 56.100 -1.420 0.000 1.063 339 R CB -0.045 29.762 30.300 -0.821 0.000 0.945 339 R HN 0.347 nan 8.270 nan 0.000 0.414 340 P HA -0.070 nan 4.420 nan 0.000 0.262 340 P C -1.284 175.855 177.300 -0.269 0.000 1.182 340 P CA 0.534 63.389 63.100 -0.409 0.000 0.761 340 P CB 0.351 31.836 31.700 -0.359 0.000 0.795 341 N N 3.531 122.130 118.700 -0.167 0.000 2.609 341 N HA 0.228 4.968 4.740 0.001 0.000 0.268 341 N C -1.977 173.489 175.510 -0.073 0.000 1.106 341 N CA -1.822 51.159 53.050 -0.115 0.000 0.823 341 N CB 1.143 39.569 38.487 -0.101 0.000 1.263 341 N HN 0.112 nan 8.380 nan 0.000 0.533 342 P HA 0.014 nan 4.420 nan 0.000 0.226 342 P C 0.899 178.183 177.300 -0.027 0.000 1.153 342 P CA 0.485 63.562 63.100 -0.039 0.000 0.777 342 P CB 0.278 31.956 31.700 -0.037 0.000 0.794 343 A N -0.771 122.030 122.820 -0.031 0.000 2.119 343 A HA -0.074 4.247 4.320 0.001 0.000 0.217 343 A C 1.443 179.015 177.584 -0.019 0.000 1.153 343 A CA 0.943 52.966 52.037 -0.023 0.000 0.692 343 A CB -0.806 18.179 19.000 -0.025 0.000 0.799 343 A HN 0.101 nan 8.150 nan 0.000 0.458 344 N N 0.608 119.294 118.700 -0.023 0.000 2.918 344 N HA 0.249 4.990 4.740 0.001 0.000 0.270 344 N C -3.127 172.377 175.510 -0.010 0.000 1.536 344 N CA -1.951 51.089 53.050 -0.017 0.000 0.877 344 N CB 0.797 39.270 38.487 -0.023 0.000 1.190 344 N HN 0.119 nan 8.380 nan 0.000 0.492 345 P HA 0.203 nan 4.420 nan 0.000 0.266 345 P C -2.614 174.695 177.300 0.015 0.000 1.195 345 P CA -0.751 62.354 63.100 0.008 0.000 0.768 345 P CB -0.142 31.564 31.700 0.011 0.000 0.838 346 P HA 0.162 nan 4.420 nan 0.000 0.275 346 P C 0.985 178.307 177.300 0.038 0.000 1.227 346 P CA -0.100 63.022 63.100 0.037 0.000 0.781 346 P CB 0.672 32.411 31.700 0.064 0.000 0.906 347 E N 1.907 122.121 120.200 0.024 0.000 2.110 347 E HA -0.092 4.259 4.350 0.001 0.000 0.193 347 E C -0.092 176.537 176.600 0.048 0.000 0.988 347 E CA 0.899 57.311 56.400 0.020 0.000 0.804 347 E CB 0.063 29.759 29.700 -0.006 0.000 0.745 347 E HN 0.392 nan 8.360 nan 0.000 0.458 348 L N 0.493 121.759 121.223 0.071 0.000 2.381 348 L HA 0.305 4.645 4.340 0.001 0.000 0.268 348 L C -0.243 176.756 176.870 0.215 0.000 0.997 348 L CA -0.988 53.943 54.840 0.151 0.000 0.818 348 L CB 1.966 44.096 42.059 0.118 0.000 1.310 348 L HN 0.066 nan 8.230 nan 0.000 0.416 349 L N 3.049 124.420 121.223 0.246 0.000 3.826 349 L HA -0.178 4.162 4.340 0.001 0.000 0.566 349 L C -1.486 175.493 176.870 0.182 0.000 1.217 349 L CA -0.453 54.525 54.840 0.230 0.000 0.823 349 L CB -0.763 41.454 42.059 0.264 0.000 1.381 349 L HN 0.596 nan 8.230 nan 0.000 0.825 350 P HA -0.088 nan 4.420 nan 0.000 0.226 350 P C 1.207 178.600 177.300 0.155 0.000 1.153 350 P CA 0.890 64.065 63.100 0.126 0.000 0.777 350 P CB 0.353 32.108 31.700 0.092 0.000 0.794 351 S N -0.466 115.344 115.700 0.183 0.000 2.593 351 S HA 0.062 4.533 4.470 0.001 0.000 0.217 351 S C 0.846 175.599 174.600 0.255 0.000 0.966 351 S CA -0.383 57.970 58.200 0.256 0.000 0.914 351 S CB -0.725 62.615 63.200 0.234 0.000 0.776 351 S HN 0.081 nan 8.310 nan 0.000 0.523 352 L N 2.202 123.553 121.223 0.214 0.000 2.513 352 L HA 0.438 4.778 4.340 0.001 0.000 0.272 352 L C 1.132 178.138 176.870 0.227 0.000 1.187 352 L CA 1.156 56.125 54.840 0.214 0.000 0.895 352 L CB -0.262 41.911 42.059 0.189 0.000 1.147 352 L HN 0.317 nan 8.230 nan 0.000 0.483 353 G N 2.378 111.321 108.800 0.238 0.000 2.159 353 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 353 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 353 G C 0.398 175.419 174.900 0.200 0.000 0.977 353 G CA 0.300 45.538 45.100 0.231 0.000 0.652 353 G HN 0.846 nan 8.290 nan 0.000 0.531 354 S N -1.605 114.223 115.700 0.213 0.000 2.704 354 S HA 0.659 5.129 4.470 0.001 0.000 0.305 354 S C 0.353 175.092 174.600 0.231 0.000 1.107 354 S CA 0.080 58.344 58.200 0.107 0.000 0.993 354 S CB 0.952 64.142 63.200 -0.017 0.000 1.110 354 S HN 0.945 nan 8.310 nan 0.000 0.534 355 Y N -0.937 119.430 120.300 0.112 0.000 4.272 355 Y HA -0.206 4.345 4.550 0.001 0.000 0.232 355 Y C 0.508 176.490 175.900 0.137 0.000 1.149 355 Y CA 0.234 58.399 58.100 0.108 0.000 1.961 355 Y CB -2.226 36.292 38.460 0.097 0.000 1.611 355 Y HN 0.616 nan 8.280 nan 0.000 0.682 356 I N 0.037 120.757 120.570 0.251 0.000 2.696 356 I HA 0.469 4.640 4.170 0.001 0.000 0.284 356 I C 0.674 176.966 176.117 0.292 0.000 1.129 356 I CA 0.429 61.882 61.300 0.255 0.000 1.410 356 I CB 1.256 39.409 38.000 0.254 0.000 1.399 356 I HN 0.200 nan 8.210 nan 0.000 0.579 357 T N 1.878 116.566 114.554 0.224 0.000 2.893 357 T HA 0.694 5.045 4.350 0.001 0.000 0.291 357 T C -0.665 174.075 174.700 0.066 0.000 1.028 357 T CA -0.699 61.521 62.100 0.200 0.000 0.995 357 T CB 2.141 71.072 68.868 0.105 0.000 1.051 357 T HN 0.831 nan 8.240 nan 0.000 0.470 358 E N 0.985 121.207 120.200 0.037 0.000 2.356 358 E HA 0.351 4.702 4.350 0.001 0.000 0.275 358 E C -1.147 175.568 176.600 0.192 0.000 0.904 358 E CA -0.574 55.805 56.400 -0.035 0.000 0.757 358 E CB 2.008 31.478 29.700 -0.384 0.000 1.232 358 E HN 0.705 nan 8.360 nan 0.000 0.442 359 Q N 1.164 121.086 119.800 0.205 0.000 2.327 359 Q HA 0.413 4.754 4.340 0.001 0.000 0.254 359 Q C -0.387 175.827 176.000 0.358 0.000 0.952 359 Q CA -0.270 55.711 55.803 0.296 0.000 0.884 359 Q CB 1.168 30.119 28.738 0.355 0.000 1.224 359 Q HN 0.457 nan 8.270 nan 0.000 0.422 360 S N 1.581 117.425 115.700 0.239 0.000 2.572 360 S HA 0.320 4.790 4.470 0.001 0.000 0.279 360 S C -0.634 174.021 174.600 0.092 0.000 1.341 360 S CA -0.446 57.760 58.200 0.009 0.000 1.043 360 S CB 0.378 63.479 63.200 -0.165 0.000 0.887 360 S HN 0.395 nan 8.310 nan 0.000 0.516 361 L N 4.183 125.427 121.223 0.034 0.000 2.438 361 L HA 0.704 5.045 4.340 0.001 0.000 0.270 361 L C -0.856 175.863 176.870 -0.251 0.000 0.972 361 L CA -0.695 54.057 54.840 -0.146 0.000 0.831 361 L CB 1.627 43.578 42.059 -0.179 0.000 1.273 361 L HN 0.466 nan 8.230 nan 0.000 0.405 362 V N 2.103 121.783 119.914 -0.391 0.000 2.667 362 V HA 0.763 4.884 4.120 0.001 0.000 0.308 362 V C -0.962 174.974 176.094 -0.263 0.000 1.048 362 V CA -0.636 61.352 62.300 -0.519 0.000 0.928 362 V CB 1.610 32.929 31.823 -0.840 0.000 1.004 362 V HN 0.834 nan 8.190 nan 0.000 0.444 363 F N 4.927 124.648 119.950 -0.382 0.000 2.591 363 F HA 0.862 5.389 4.527 0.001 0.000 0.309 363 F C -0.346 175.306 175.800 -0.246 0.000 1.098 363 F CA -0.257 57.598 58.000 -0.243 0.000 0.937 363 F CB 1.525 40.425 39.000 -0.167 0.000 1.250 363 F HN 1.178 nan 8.300 nan 0.000 0.447 364 C N 2.901 121.560 119.300 -1.070 0.000 3.323 364 C HA 0.816 5.277 4.460 0.001 0.000 0.324 364 C C -1.525 172.842 174.990 -1.039 0.000 1.428 364 C CA -0.652 57.716 59.018 -1.084 0.000 1.368 364 C CB 1.725 29.075 27.740 -0.650 0.000 1.731 364 C HN 0.962 nan 8.230 nan 0.000 0.455 365 Q N 0.480 119.935 119.800 -0.575 0.000 2.399 365 Q HA 0.769 5.110 4.340 0.001 0.000 0.276 365 Q C -0.519 175.494 176.000 0.022 0.000 1.098 365 Q CA -0.249 55.450 55.803 -0.173 0.000 0.827 365 Q CB 2.677 31.301 28.738 -0.189 0.000 1.386 365 Q HN 0.938 nan 8.270 nan 0.000 0.443 366 T N -2.602 112.046 114.554 0.157 0.000 2.924 366 T HA 0.695 5.046 4.350 0.001 0.000 0.291 366 T C -0.596 174.155 174.700 0.084 0.000 1.045 366 T CA -0.727 61.435 62.100 0.104 0.000 1.015 366 T CB 1.260 70.203 68.868 0.125 0.000 1.103 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.602 122.534 119.914 0.030 0.000 2.384 367 V HA 0.397 4.518 4.120 0.001 0.000 0.287 367 V C 0.298 176.398 176.094 0.010 0.000 1.020 367 V CA -0.905 61.405 62.300 0.017 0.000 0.850 367 V CB 1.205 33.029 31.823 0.001 0.000 0.987 367 V HN 1.021 nan 8.190 nan 0.000 0.436 368 M N 4.826 124.439 119.600 0.023 0.000 2.248 368 M HA 0.058 4.538 4.480 0.001 0.000 0.343 368 M C 0.883 177.185 176.300 0.003 0.000 1.243 368 M CA 0.746 56.060 55.300 0.024 0.000 1.025 368 M CB 0.566 33.178 32.600 0.021 0.000 1.759 368 M HN 0.923 nan 8.290 nan 0.000 0.452 369 S N 2.521 118.220 115.700 -0.001 0.000 2.568 369 S HA 0.072 4.542 4.470 0.001 0.000 0.282 369 S C 1.011 175.610 174.600 -0.003 0.000 1.338 369 S CA -0.118 58.073 58.200 -0.014 0.000 1.045 369 S CB 0.565 63.752 63.200 -0.022 0.000 0.873 369 S HN 0.805 nan 8.310 nan 0.000 0.516 370 T N 2.011 116.560 114.554 -0.008 0.000 2.720 370 T HA -0.144 4.206 4.350 0.001 0.000 0.268 370 T C 1.633 176.337 174.700 0.008 0.000 1.037 370 T CA 1.887 63.987 62.100 0.000 0.000 1.144 370 T CB -0.483 68.382 68.868 -0.005 0.000 0.864 370 T HN 0.768 nan 8.240 nan 0.000 0.444 371 E N 0.604 120.805 120.200 0.002 0.000 2.058 371 E HA -0.094 4.257 4.350 0.001 0.000 0.194 371 E C 2.273 178.888 176.600 0.026 0.000 0.997 371 E CA 0.973 57.377 56.400 0.008 0.000 0.801 371 E CB -0.296 29.402 29.700 -0.004 0.000 0.746 371 E HN 0.436 nan 8.360 nan 0.000 0.450 372 L N 0.723 121.963 121.223 0.029 0.000 2.056 372 L HA -0.194 4.147 4.340 0.001 0.000 0.207 372 L C 2.447 179.355 176.870 0.064 0.000 1.078 372 L CA 0.500 55.372 54.840 0.054 0.000 0.749 372 L CB -0.287 41.803 42.059 0.052 0.000 0.901 372 L HN 0.194 nan 8.230 nan 0.000 0.433 373 I N 0.013 120.607 120.570 0.040 0.000 2.179 373 I HA -0.290 3.881 4.170 0.001 0.000 0.242 373 I C 2.161 178.308 176.117 0.049 0.000 1.088 373 I CA 1.571 62.891 61.300 0.032 0.000 1.357 373 I CB -1.139 36.870 38.000 0.016 0.000 1.051 373 I HN 0.290 nan 8.210 nan 0.000 0.409 374 D N 0.632 121.060 120.400 0.047 0.000 2.178 374 D HA -0.127 4.513 4.640 0.001 0.000 0.201 374 D C 2.350 178.699 176.300 0.081 0.000 0.980 374 D CA 1.579 55.612 54.000 0.054 0.000 0.842 374 D CB -0.119 40.704 40.800 0.038 0.000 0.948 374 D HN 0.380 nan 8.370 nan 0.000 0.472 375 S N 0.020 115.778 115.700 0.097 0.000 2.419 375 S HA -0.114 4.356 4.470 0.001 0.000 0.233 375 S C 2.148 176.904 174.600 0.259 0.000 1.016 375 S CA 0.676 58.967 58.200 0.152 0.000 0.974 375 S CB -0.524 62.760 63.200 0.142 0.000 0.786 375 S HN 0.080 nan 8.310 nan 0.000 0.492 376 V N 2.888 122.924 119.914 0.202 0.000 2.469 376 V HA -0.152 3.969 4.120 0.001 0.000 0.251 376 V C 2.148 178.383 176.094 0.234 0.000 1.064 376 V CA 2.091 64.532 62.300 0.236 0.000 1.066 376 V CB -0.788 31.078 31.823 0.071 0.000 0.667 376 V HN 0.809 nan 8.190 nan 0.000 0.461 377 K N 0.244 120.740 120.400 0.159 0.000 2.498 377 K HA 0.185 4.506 4.320 0.001 0.000 0.207 377 K C 1.526 178.193 176.600 0.112 0.000 1.033 377 K CA 0.656 57.020 56.287 0.129 0.000 1.138 377 K CB 0.172 32.727 32.500 0.092 0.000 0.860 377 K HN 0.416 nan 8.250 nan 0.000 0.490 378 S N 0.716 116.495 115.700 0.132 0.000 2.419 378 S HA -0.158 4.312 4.470 0.001 0.000 0.235 378 S C 0.953 175.567 174.600 0.024 0.000 1.019 378 S CA 1.214 59.450 58.200 0.060 0.000 0.982 378 S CB -0.229 62.982 63.200 0.018 0.000 0.789 378 S HN 0.297 nan 8.310 nan 0.000 0.490 379 D N 0.654 121.078 120.400 0.039 0.000 2.339 379 D HA 0.228 4.868 4.640 0.001 0.000 0.217 379 D C 0.118 176.457 176.300 0.064 0.000 1.050 379 D CA 0.272 54.282 54.000 0.017 0.000 0.856 379 D CB -0.007 40.780 40.800 -0.022 0.000 0.922 379 D HN 0.361 nan 8.370 nan 0.000 0.518 380 M N 0.475 120.115 119.600 0.066 0.000 2.249 380 M HA 0.213 4.694 4.480 0.001 0.000 0.351 380 M C 0.276 176.605 176.300 0.048 0.000 1.180 380 M CA 0.044 55.390 55.300 0.076 0.000 1.127 380 M CB 1.034 33.673 32.600 0.066 0.000 1.546 380 M HN -0.331 nan 8.290 nan 0.000 0.461 381 T N 4.515 119.091 114.554 0.037 0.000 2.749 381 T HA 0.669 5.020 4.350 0.001 0.000 0.287 381 T C 0.018 174.703 174.700 -0.024 0.000 0.970 381 T CA -0.327 61.777 62.100 0.007 0.000 0.980 381 T CB 0.437 69.305 68.868 -0.001 0.000 0.924 381 T HN 0.421 nan 8.240 nan 0.000 0.456 382 I N 3.431 123.990 120.570 -0.018 0.000 2.389 382 I HA 0.475 4.645 4.170 0.001 0.000 0.288 382 I C 0.263 176.369 176.117 -0.019 0.000 0.999 382 I CA -0.745 60.526 61.300 -0.048 0.000 1.129 382 I CB 1.301 39.313 38.000 0.020 0.000 1.288 382 I HN 0.220 nan 8.210 nan 0.000 0.444 383 R N 5.136 125.600 120.500 -0.061 0.000 2.437 383 R HA 0.690 5.030 4.340 0.001 0.000 0.310 383 R C 0.064 176.398 176.300 0.057 0.000 0.955 383 R CA 0.213 56.308 56.100 -0.008 0.000 0.851 383 R CB 1.665 31.946 30.300 -0.033 0.000 1.161 383 R HN 0.886 nan 8.270 nan 0.000 0.446 384 G N 2.108 110.968 108.800 0.100 0.000 2.642 384 G HA2 -0.275 3.686 3.960 0.001 0.000 0.231 384 G HA3 -0.275 3.686 3.960 0.001 0.000 0.231 384 G C -0.975 174.070 174.900 0.240 0.000 1.338 384 G CA -0.135 45.054 45.100 0.149 0.000 0.883 384 G HN 0.733 nan 8.290 nan 0.000 0.570 385 T N -0.469 114.200 114.554 0.193 0.000 2.876 385 T HA 0.692 5.043 4.350 0.001 0.000 0.289 385 T C -2.967 171.612 174.700 -0.202 0.000 1.014 385 T CA -1.380 60.749 62.100 0.049 0.000 0.986 385 T CB 2.452 71.322 68.868 0.004 0.000 1.021 385 T HN 0.537 nan 8.240 nan 0.000 0.458 386 P HA 0.309 nan 4.420 nan 0.000 0.266 386 P C 1.219 178.284 177.300 -0.391 0.000 1.195 386 P CA 1.172 63.704 63.100 -0.947 0.000 0.768 386 P CB 0.262 31.526 31.700 -0.727 0.000 0.838 387 G N 1.353 109.980 108.800 -0.289 0.000 2.284 387 G HA2 -0.209 3.752 3.960 0.001 0.000 0.230 387 G HA3 -0.209 3.752 3.960 0.001 0.000 0.230 387 G C 0.252 175.120 174.900 -0.053 0.000 1.021 387 G CA -0.185 44.843 45.100 -0.122 0.000 0.619 387 G HN 0.548 nan 8.290 nan 0.000 0.510 388 E N -0.531 119.645 120.200 -0.040 0.000 2.620 388 E HA 0.579 4.930 4.350 0.001 0.000 0.255 388 E C 1.399 178.030 176.600 0.051 0.000 1.346 388 E CA -0.229 56.179 56.400 0.013 0.000 1.013 388 E CB 0.786 30.502 29.700 0.025 0.000 1.131 388 E HN 0.181 nan 8.360 nan 0.000 0.608 389 L N 0.379 121.631 121.223 0.048 0.000 2.202 389 L HA -0.049 4.291 4.340 0.001 0.000 0.205 389 L C 1.893 178.800 176.870 0.063 0.000 1.083 389 L CA 1.525 56.393 54.840 0.047 0.000 0.790 389 L CB -0.027 42.049 42.059 0.029 0.000 0.942 389 L HN 0.668 nan 8.230 nan 0.000 0.452 390 T N -3.144 111.454 114.554 0.073 0.000 3.188 390 T HA 0.050 4.400 4.350 0.001 0.000 0.250 390 T C 0.374 175.141 174.700 0.111 0.000 1.077 390 T CA -0.333 61.809 62.100 0.069 0.000 0.967 390 T CB -0.784 68.115 68.868 0.051 0.000 1.006 390 T HN 0.133 nan 8.240 nan 0.000 0.552 391 Y N 2.732 123.032 120.300 -0.001 0.000 2.569 391 Y HA 0.437 4.987 4.550 0.001 0.000 0.332 391 Y C 0.145 176.046 175.900 0.002 0.000 1.120 391 Y CA -0.762 57.338 58.100 0.001 0.000 1.416 391 Y CB 0.219 38.678 38.460 -0.002 0.000 1.210 391 Y HN 0.170 nan 8.280 nan 0.000 0.528 392 S N 4.934 120.378 115.700 -0.425 0.000 2.557 392 S HA 0.732 5.203 4.470 0.001 0.000 0.291 392 S C -1.777 172.522 174.600 -0.502 0.000 1.116 392 S CA -0.701 57.277 58.200 -0.371 0.000 0.992 392 S CB 0.823 63.925 63.200 -0.164 0.000 1.028 392 S HN 0.429 nan 8.310 nan 0.000 0.484 393 V N 4.598 124.287 119.914 -0.377 0.000 2.407 393 V HA 0.680 4.801 4.120 0.001 0.000 0.291 393 V C 0.034 176.088 176.094 -0.067 0.000 1.018 393 V CA -0.550 61.617 62.300 -0.223 0.000 0.842 393 V CB 1.216 32.933 31.823 -0.176 0.000 0.996 393 V HN 0.996 nan 8.190 nan 0.000 0.426 394 T N 1.773 116.317 114.554 -0.017 0.000 2.896 394 T HA 0.861 5.212 4.350 0.001 0.000 0.297 394 T C -0.986 173.792 174.700 0.130 0.000 1.108 394 T CA -0.744 61.372 62.100 0.027 0.000 1.004 394 T CB 2.341 71.182 68.868 -0.046 0.000 1.159 394 T HN 0.756 nan 8.240 nan 0.000 0.499 395 Y N -1.478 118.811 120.300 -0.018 0.000 2.638 395 Y HA 0.794 5.345 4.550 0.001 0.000 0.339 395 Y C -0.810 175.082 175.900 -0.014 0.000 1.084 395 Y CA -1.308 56.784 58.100 -0.013 0.000 1.068 395 Y CB 0.946 39.406 38.460 -0.001 0.000 1.294 395 Y HN 0.638 nan 8.280 nan 0.000 0.480 396 T N 4.169 118.719 114.554 -0.008 0.000 2.753 396 T HA 0.389 4.740 4.350 0.001 0.000 0.297 396 T C -2.781 171.918 174.700 -0.001 0.000 0.981 396 T CA -1.332 60.709 62.100 -0.099 0.000 0.956 396 T CB 0.649 69.500 68.868 -0.029 0.000 0.936 396 T HN 0.377 nan 8.240 nan 0.000 0.463 397 P HA 0.215 nan 4.420 nan 0.000 0.265 397 P C 1.141 178.477 177.300 0.060 0.000 1.193 397 P CA 0.706 63.848 63.100 0.071 0.000 0.765 397 P CB 0.342 32.033 31.700 -0.016 0.000 0.823 398 G N 1.927 110.780 108.800 0.087 0.000 2.184 398 G HA2 -0.253 3.707 3.960 0.001 0.000 0.264 398 G HA3 -0.253 3.707 3.960 0.001 0.000 0.264 398 G C 0.495 175.408 174.900 0.020 0.000 0.975 398 G CA 0.065 45.192 45.100 0.044 0.000 0.642 398 G HN 0.872 nan 8.290 nan 0.000 0.536 399 A N 0.607 123.441 122.820 0.023 0.000 2.511 399 A HA 0.605 4.925 4.320 0.001 0.000 0.242 399 A C 1.761 179.335 177.584 -0.016 0.000 1.069 399 A CA 1.334 53.373 52.037 0.002 0.000 0.763 399 A CB 0.288 19.292 19.000 0.006 0.000 1.001 399 A HN 1.743 nan 8.150 nan 0.000 0.498 400 S N 1.308 116.994 115.700 -0.022 0.000 2.481 400 S HA -0.126 4.345 4.470 0.001 0.000 0.231 400 S C 1.283 175.852 174.600 -0.051 0.000 0.996 400 S CA 1.434 59.615 58.200 -0.033 0.000 0.942 400 S CB -0.708 62.476 63.200 -0.026 0.000 0.768 400 S HN 1.058 nan 8.310 nan 0.000 0.520 401 T N -0.484 114.039 114.554 -0.051 0.000 3.129 401 T HA 0.223 4.574 4.350 0.001 0.000 0.251 401 T C 0.343 174.985 174.700 -0.098 0.000 1.117 401 T CA -0.516 61.544 62.100 -0.067 0.000 1.034 401 T CB -0.523 68.314 68.868 -0.051 0.000 0.968 401 T HN 0.209 nan 8.240 nan 0.000 0.526 402 N N 2.102 120.742 118.700 -0.100 0.000 2.492 402 N HA 0.251 4.992 4.740 0.001 0.000 0.260 402 N C 0.814 176.165 175.510 -0.266 0.000 1.215 402 N CA -0.179 52.778 53.050 -0.154 0.000 0.923 402 N CB 1.088 39.506 38.487 -0.115 0.000 1.092 402 N HN 0.059 nan 8.380 nan 0.000 0.448 403 K N 0.650 120.789 120.400 -0.434 0.000 2.243 403 K HA 0.096 4.417 4.320 0.001 0.000 0.201 403 K C -0.097 175.949 176.600 -0.923 0.000 1.051 403 K CA 1.008 56.879 56.287 -0.694 0.000 0.970 403 K CB 0.086 32.026 32.500 -0.933 0.000 0.755 403 K HN 0.542 nan 8.250 nan 0.000 0.465 404 H N -0.610 118.137 119.070 -0.538 0.000 2.679 404 H HA 0.328 4.884 4.556 0.001 0.000 0.367 404 H C -2.380 172.609 175.328 -0.565 0.000 1.162 404 H CA -2.854 52.693 56.048 -0.834 0.000 1.181 404 H CB 1.118 29.959 29.762 -1.535 0.000 1.693 404 H HN -0.133 nan 8.280 nan 0.000 0.538 405 P HA -0.012 nan 4.420 nan 0.000 0.271 405 P C 0.345 177.435 177.300 -0.349 0.000 1.233 405 P CA -0.203 62.696 63.100 -0.335 0.000 0.789 405 P CB 1.277 32.750 31.700 -0.378 0.000 0.951 406 D N 0.274 120.603 120.400 -0.119 0.000 2.123 406 D HA -0.154 4.487 4.640 0.001 0.000 0.196 406 D C 1.957 178.249 176.300 -0.013 0.000 0.992 406 D CA 1.363 55.367 54.000 0.006 0.000 0.833 406 D CB -0.618 40.293 40.800 0.185 0.000 0.954 406 D HN 0.612 nan 8.370 nan 0.000 0.455 407 W N 0.354 121.726 121.300 0.120 0.000 2.350 407 W HA -0.162 4.499 4.660 0.001 0.000 0.289 407 W C 1.925 178.520 176.519 0.126 0.000 1.215 407 W CA 0.325 57.737 57.345 0.112 0.000 1.236 407 W CB -1.379 28.141 29.460 0.100 0.000 1.130 407 W HN 0.102 nan 8.180 nan 0.000 0.541 408 W N 3.380 124.181 121.300 -0.832 0.000 2.407 408 W HA -0.109 4.552 4.660 0.001 0.000 0.305 408 W C 1.856 178.100 176.519 -0.458 0.000 1.196 408 W CA 1.488 58.367 57.345 -0.778 0.000 1.311 408 W CB -1.074 27.678 29.460 -1.180 0.000 1.135 408 W HN -0.148 nan 8.180 nan 0.000 0.514 409 N N 1.110 119.714 118.700 -0.159 0.000 2.223 409 N HA -0.200 4.540 4.740 0.001 0.000 0.185 409 N C 1.517 176.730 175.510 -0.495 0.000 1.016 409 N CA 1.913 54.678 53.050 -0.475 0.000 0.863 409 N CB -0.558 37.252 38.487 -1.129 0.000 0.983 409 N HN 0.299 nan 8.380 nan 0.000 0.429 410 E N 1.234 121.289 120.200 -0.242 0.000 2.106 410 E HA -0.052 4.298 4.350 0.001 0.000 0.192 410 E C 1.613 178.261 176.600 0.080 0.000 0.984 410 E CA 1.218 57.668 56.400 0.083 0.000 0.806 410 E CB 0.109 29.938 29.700 0.215 0.000 0.750 410 E HN 0.221 nan 8.360 nan 0.000 0.458 411 K N -0.561 119.871 120.400 0.053 0.000 2.097 411 K HA -0.062 4.258 4.320 0.001 0.000 0.205 411 K C 2.034 178.639 176.600 0.008 0.000 1.050 411 K CA 1.201 57.513 56.287 0.042 0.000 0.938 411 K CB 0.020 32.537 32.500 0.028 0.000 0.718 411 K HN 0.015 nan 8.250 nan 0.000 0.442 412 V N 1.900 121.787 119.914 -0.045 0.000 2.307 412 V HA -0.253 3.867 4.120 0.001 0.000 0.245 412 V C 2.352 178.481 176.094 0.059 0.000 1.045 412 V CA 1.624 63.911 62.300 -0.021 0.000 1.024 412 V CB -0.420 31.386 31.823 -0.028 0.000 0.651 412 V HN 0.335 nan 8.190 nan 0.000 0.449 413 K N 0.340 120.773 120.400 0.055 0.000 2.044 413 K HA -0.269 4.052 4.320 0.001 0.000 0.210 413 K C 1.983 178.642 176.600 0.099 0.000 1.049 413 K CA 2.206 58.557 56.287 0.106 0.000 0.927 413 K CB -0.248 32.384 32.500 0.219 0.000 0.713 413 K HN 0.422 nan 8.250 nan 0.000 0.443 414 N N 0.137 118.901 118.700 0.107 0.000 2.216 414 N HA -0.150 4.591 4.740 0.001 0.000 0.183 414 N C 1.732 177.307 175.510 0.108 0.000 1.017 414 N CA 1.266 54.374 53.050 0.097 0.000 0.861 414 N CB -0.595 37.956 38.487 0.106 0.000 0.986 414 N HN 0.428 nan 8.380 nan 0.000 0.428 415 H N 0.631 119.730 119.070 0.048 0.000 2.319 415 H HA 0.066 4.622 4.556 0.001 0.000 0.299 415 H C 1.962 177.335 175.328 0.076 0.000 1.092 415 H CA 1.841 57.924 56.048 0.059 0.000 1.302 415 H CB -0.047 29.651 29.762 -0.106 0.000 1.373 415 H HN 0.109 nan 8.280 nan 0.000 0.497 416 M N -1.114 118.504 119.600 0.028 0.000 2.254 416 M HA -0.085 4.396 4.480 0.001 0.000 0.265 416 M C 2.153 178.508 176.300 0.091 0.000 1.066 416 M CA 1.320 56.643 55.300 0.038 0.000 1.123 416 M CB -0.027 32.655 32.600 0.136 0.000 1.388 416 M HN 0.342 nan 8.290 nan 0.000 0.425 417 M N 0.310 119.941 119.600 0.052 0.000 2.288 417 M HA -0.099 4.381 4.480 0.001 0.000 0.266 417 M C 1.734 178.027 176.300 -0.012 0.000 1.072 417 M CA 1.858 57.190 55.300 0.054 0.000 1.132 417 M CB -0.028 32.580 32.600 0.014 0.000 1.386 417 M HN 0.152 nan 8.290 nan 0.000 0.432 418 Q N -1.521 118.205 119.800 -0.123 0.000 2.384 418 Q HA 0.071 4.412 4.340 0.001 0.000 0.207 418 Q C -0.187 175.466 176.000 -0.577 0.000 0.904 418 Q CA 0.469 56.083 55.803 -0.316 0.000 0.933 418 Q CB 0.505 29.036 28.738 -0.346 0.000 1.077 418 Q HN 0.504 nan 8.270 nan 0.000 0.522 419 H N 0.191 119.180 119.070 -0.134 0.000 2.439 419 H HA 0.192 4.749 4.556 0.001 0.000 0.230 419 H C 0.042 175.287 175.328 -0.138 0.000 1.420 419 H CA -0.070 55.895 56.048 -0.138 0.000 1.305 419 H CB 0.519 30.125 29.762 -0.261 0.000 1.667 419 H HN 0.239 nan 8.280 nan 0.000 0.515 420 Q N 0.625 120.413 119.800 -0.020 0.000 2.436 420 Q HA -0.105 4.236 4.340 0.001 0.000 0.209 420 Q C 1.860 177.815 176.000 -0.074 0.000 0.965 420 Q CA 0.788 56.550 55.803 -0.069 0.000 0.910 420 Q CB 0.414 29.078 28.738 -0.123 0.000 0.980 420 Q HN 0.530 nan 8.270 nan 0.000 0.491 421 E N 1.149 121.350 120.200 0.001 0.000 2.358 421 E HA -0.112 4.238 4.350 0.001 0.000 0.195 421 E C -0.282 176.352 176.600 0.058 0.000 1.010 421 E CA 0.544 56.958 56.400 0.023 0.000 0.856 421 E CB 0.028 29.762 29.700 0.057 0.000 0.795 421 E HN 0.164 nan 8.360 nan 0.000 0.504 422 D N 2.032 122.483 120.400 0.085 0.000 2.249 422 D HA 0.122 4.762 4.640 0.001 0.000 0.246 422 D C -1.545 174.809 176.300 0.089 0.000 1.114 422 D CA -2.107 51.973 54.000 0.134 0.000 0.854 422 D CB 1.629 42.551 40.800 0.202 0.000 1.132 422 D HN -0.162 nan 8.370 nan 0.000 0.461 423 P HA 0.088 nan 4.420 nan 0.000 0.245 423 P C -0.122 177.220 177.300 0.070 0.000 1.206 423 P CA 0.197 63.334 63.100 0.063 0.000 0.781 423 P CB 0.415 32.144 31.700 0.048 0.000 0.994 424 L N 1.857 123.134 121.223 0.090 0.000 2.344 424 L HA 0.358 4.699 4.340 0.001 0.000 0.272 424 L C -1.255 175.649 176.870 0.057 0.000 1.035 424 L CA -2.181 52.685 54.840 0.043 0.000 0.807 424 L CB 2.081 44.135 42.059 -0.008 0.000 1.237 424 L HN -0.268 nan 8.230 nan 0.000 0.442 425 P HA 0.088 nan 4.420 nan 0.000 0.255 425 P C 0.201 177.380 177.300 -0.201 0.000 1.248 425 P CA 0.492 63.596 63.100 0.006 0.000 0.807 425 P CB 0.428 32.136 31.700 0.013 0.000 1.150 426 I N 2.459 122.814 120.570 -0.359 0.000 2.371 426 I HA 0.219 4.390 4.170 0.001 0.000 0.290 426 I C -2.130 173.483 176.117 -0.841 0.000 1.028 426 I CA -2.753 58.264 61.300 -0.472 0.000 1.345 426 I CB 0.749 38.566 38.000 -0.305 0.000 1.407 426 I HN -0.224 nan 8.210 nan 0.000 0.501 427 P HA 0.002 nan 4.420 nan 0.000 0.267 427 P C 0.315 177.364 177.300 -0.418 0.000 1.200 427 P CA 0.004 62.723 63.100 -0.636 0.000 0.772 427 P CB 0.356 31.925 31.700 -0.217 0.000 0.855 428 F N 0.804 120.632 119.950 -0.202 0.000 2.161 428 F HA -0.130 4.398 4.527 0.001 0.000 0.300 428 F C 1.714 177.471 175.800 -0.071 0.000 1.089 428 F CA 1.615 59.543 58.000 -0.121 0.000 1.282 428 F CB -0.935 38.010 39.000 -0.092 0.000 1.010 428 F HN 0.411 nan 8.300 nan 0.000 0.485 429 E N -0.359 119.924 120.200 0.138 0.000 2.419 429 E HA -0.002 4.349 4.350 0.001 0.000 0.190 429 E C -0.260 176.363 176.600 0.038 0.000 1.040 429 E CA -0.260 56.193 56.400 0.088 0.000 0.900 429 E CB -0.231 29.522 29.700 0.089 0.000 1.054 429 E HN 0.164 nan 8.360 nan 0.000 0.462 430 D N 2.470 122.868 120.400 -0.004 0.000 2.472 430 D HA 0.008 4.649 4.640 0.001 0.000 0.248 430 D C -2.267 174.049 176.300 0.028 0.000 1.174 430 D CA -1.447 52.538 54.000 -0.024 0.000 0.883 430 D CB 0.749 41.490 40.800 -0.099 0.000 1.149 430 D HN -0.111 nan 8.370 nan 0.000 0.488 431 P HA 0.058 nan 4.420 nan 0.000 0.270 431 P C -0.314 177.095 177.300 0.182 0.000 1.223 431 P CA -0.331 62.865 63.100 0.160 0.000 0.785 431 P CB 0.372 32.186 31.700 0.190 0.000 0.923 432 E N 1.935 122.258 120.200 0.204 0.000 2.371 432 E HA 0.223 4.574 4.350 0.001 0.000 0.257 432 E C -2.526 174.102 176.600 0.046 0.000 1.134 432 E CA -1.934 54.514 56.400 0.081 0.000 0.919 432 E CB -0.930 28.784 29.700 0.024 0.000 1.025 432 E HN 0.206 nan 8.360 nan 0.000 0.438 433 P HA 0.108 nan 4.420 nan 0.000 0.274 433 P C -0.627 176.666 177.300 -0.012 0.000 1.231 433 P CA -0.071 63.092 63.100 0.104 0.000 0.790 433 P CB 0.416 32.127 31.700 0.019 0.000 0.951 434 Q N 0.938 120.826 119.800 0.147 0.000 3.429 434 Q HA 0.322 4.663 4.340 0.001 0.000 0.237 434 Q C -1.195 174.894 176.000 0.149 0.000 0.932 434 Q CA -0.307 55.469 55.803 -0.044 0.000 0.731 434 Q CB 1.262 29.739 28.738 -0.434 0.000 1.383 434 Q HN 0.174 nan 8.270 nan 0.000 0.446 435 V N 0.783 120.727 119.914 0.050 0.000 2.581 435 V HA 0.712 4.833 4.120 0.001 0.000 0.303 435 V C 0.123 176.222 176.094 0.008 0.000 1.041 435 V CA -0.414 61.912 62.300 0.043 0.000 0.907 435 V CB 2.062 33.851 31.823 -0.057 0.000 0.994 435 V HN 0.489 nan 8.190 nan 0.000 0.442 436 T N 1.926 116.520 114.554 0.066 0.000 2.909 436 T HA 0.503 4.853 4.350 0.001 0.000 0.299 436 T C -0.868 173.771 174.700 -0.102 0.000 1.073 436 T CA -0.324 61.761 62.100 -0.024 0.000 0.999 436 T CB 1.829 70.674 68.868 -0.039 0.000 1.098 436 T HN 0.818 nan 8.240 nan 0.000 0.477 437 T N 4.808 119.153 114.554 -0.347 0.000 2.772 437 T HA 0.592 4.942 4.350 0.001 0.000 0.288 437 T C -0.087 174.468 174.700 -0.243 0.000 0.994 437 T CA -0.618 61.112 62.100 -0.617 0.000 0.951 437 T CB -0.143 67.877 68.868 -1.414 0.000 0.933 437 T HN 0.524 nan 8.240 nan 0.000 0.447 438 L N 4.526 125.687 121.223 -0.104 0.000 2.467 438 L HA 0.370 4.711 4.340 0.001 0.000 0.270 438 L C 0.776 177.659 176.870 0.022 0.000 1.205 438 L CA -0.883 53.982 54.840 0.042 0.000 0.828 438 L CB 0.180 42.256 42.059 0.029 0.000 1.101 438 L HN 0.628 nan 8.230 nan 0.000 0.479 439 F N 2.971 122.853 119.950 -0.113 0.000 2.604 439 F HA -0.091 4.437 4.527 0.001 0.000 0.390 439 F C 0.285 175.825 175.800 -0.433 0.000 1.053 439 F CA 0.667 58.508 58.000 -0.266 0.000 1.256 439 F CB 0.114 39.011 39.000 -0.172 0.000 0.996 439 F HN 0.403 nan 8.300 nan 0.000 0.564 440 Q N 6.497 125.801 119.800 -0.828 0.000 2.501 440 Q HA 0.266 4.607 4.340 0.001 0.000 0.288 440 Q C -2.024 173.533 176.000 -0.739 0.000 1.051 440 Q CA -1.721 53.687 55.803 -0.657 0.000 0.788 440 Q CB 1.408 29.598 28.738 -0.914 0.000 1.469 440 Q HN 0.222 nan 8.270 nan 0.000 0.416 441 P HA -0.174 nan 4.420 nan 0.000 0.216 441 P C 1.120 178.195 177.300 -0.376 0.000 1.150 441 P CA 1.943 64.863 63.100 -0.300 0.000 0.843 441 P CB 0.208 31.826 31.700 -0.137 0.000 0.787 442 S N -1.588 113.901 115.700 -0.352 0.000 2.561 442 S HA -0.096 4.375 4.470 0.001 0.000 0.225 442 S C 0.481 174.899 174.600 -0.304 0.000 0.977 442 S CA 0.125 58.192 58.200 -0.222 0.000 0.926 442 S CB -1.304 61.867 63.200 -0.048 0.000 0.769 442 S HN 0.441 nan 8.310 nan 0.000 0.533 443 H N -1.319 117.303 119.070 -0.746 0.000 2.596 443 H HA 0.465 5.022 4.556 0.001 0.000 0.240 443 H C -3.273 170.891 175.328 -1.939 0.000 1.406 443 H CA -1.839 53.362 56.048 -1.412 0.000 1.504 443 H CB 0.449 29.646 29.762 -0.942 0.000 1.688 443 H HN 0.060 nan 8.280 nan 0.000 0.546 444 P HA 0.089 nan 4.420 nan 0.000 0.225 444 P C -1.266 175.375 177.300 -1.098 0.000 1.813 444 P CA 0.187 62.122 63.100 -1.941 0.000 1.013 444 P CB -1.047 30.094 31.700 -0.931 0.000 1.961 445 W N -0.181 120.758 121.300 -0.601 0.000 3.213 445 W HA 0.506 5.166 4.660 0.001 0.000 0.318 445 W C -0.895 175.724 176.519 0.167 0.000 1.248 445 W CA -1.251 56.116 57.345 0.038 0.000 1.187 445 W CB 0.068 29.567 29.460 0.066 0.000 1.403 445 W HN 0.010 nan 8.180 nan 0.000 0.556 446 H N 1.115 120.467 119.070 0.471 0.000 2.505 446 H HA 0.700 5.257 4.556 0.001 0.000 0.351 446 H C -0.161 175.326 175.328 0.265 0.000 1.151 446 H CA 0.550 56.773 56.048 0.291 0.000 1.339 446 H CB 1.475 31.361 29.762 0.206 0.000 1.483 446 H HN 0.574 nan 8.280 nan 0.000 0.558 447 T N 2.041 116.239 114.554 -0.595 0.000 2.886 447 T HA 0.485 4.836 4.350 0.001 0.000 0.292 447 T C -0.817 173.587 174.700 -0.492 0.000 1.012 447 T CA -1.116 60.677 62.100 -0.512 0.000 0.982 447 T CB 1.570 70.028 68.868 -0.682 0.000 1.018 447 T HN 0.671 nan 8.240 nan 0.000 0.451 448 Q N 2.018 121.726 119.800 -0.154 0.000 2.292 448 Q HA 0.566 4.906 4.340 0.001 0.000 0.270 448 Q C -1.142 174.737 176.000 -0.203 0.000 1.024 448 Q CA -0.638 54.981 55.803 -0.306 0.000 0.768 448 Q CB 2.596 31.027 28.738 -0.512 0.000 1.250 448 Q HN 0.717 nan 8.270 nan 0.000 0.447 449 I N 3.875 124.289 120.570 -0.261 0.000 2.495 449 I HA 0.370 4.541 4.170 0.001 0.000 0.277 449 I C -0.336 175.654 176.117 -0.212 0.000 1.045 449 I CA -0.268 60.770 61.300 -0.437 0.000 1.135 449 I CB 0.348 37.967 38.000 -0.634 0.000 1.241 449 I HN 0.773 nan 8.210 nan 0.000 0.469 450 H N 3.895 122.773 119.070 -0.320 0.000 3.150 450 H HA 0.651 5.208 4.556 0.001 0.000 0.270 450 H C -1.180 174.065 175.328 -0.139 0.000 1.573 450 H CA -1.330 54.602 56.048 -0.194 0.000 1.195 450 H CB 1.392 31.065 29.762 -0.147 0.000 1.874 450 H HN 0.115 nan 8.280 nan 0.000 0.691 451 R N 1.184 121.494 120.500 -0.316 0.000 2.621 451 R HA 0.283 4.623 4.340 0.001 0.000 0.284 451 R C -1.417 174.592 176.300 -0.485 0.000 0.998 451 R CA -0.502 55.383 56.100 -0.359 0.000 0.895 451 R CB 1.926 32.157 30.300 -0.115 0.000 1.195 451 R HN 0.926 nan 8.270 nan 0.000 0.450 452 D N 0.547 120.690 120.400 -0.428 0.000 2.801 452 D HA 0.411 5.052 4.640 0.001 0.000 0.277 452 D C -0.525 175.751 176.300 -0.039 0.000 1.125 452 D CA -0.777 53.090 54.000 -0.221 0.000 1.102 452 D CB 0.066 40.741 40.800 -0.209 0.000 1.400 452 D HN 0.369 nan 8.370 nan 0.000 0.601 453 A N -0.564 122.266 122.820 0.018 0.000 2.566 453 A HA 0.385 4.706 4.320 0.001 0.000 0.245 453 A C -0.864 176.790 177.584 0.116 0.000 1.056 453 A CA 0.257 52.351 52.037 0.095 0.000 0.757 453 A CB -0.892 18.195 19.000 0.144 0.000 0.979 453 A HN 0.434 nan 8.150 nan 0.000 0.508 454 F N 2.087 121.978 119.950 -0.099 0.000 2.596 454 F HA 0.461 4.988 4.527 0.001 0.000 0.311 454 F C 0.292 175.912 175.800 -0.299 0.000 1.116 454 F CA -0.308 57.531 58.000 -0.267 0.000 0.957 454 F CB 2.054 40.787 39.000 -0.445 0.000 1.250 454 F HN 0.575 nan 8.300 nan 0.000 0.444 455 S N 4.569 119.702 115.700 -0.944 0.000 2.411 455 S HA 0.416 4.886 4.470 0.001 0.000 0.304 455 S C -1.080 173.113 174.600 -0.680 0.000 1.098 455 S CA -0.399 57.433 58.200 -0.613 0.000 1.068 455 S CB -0.442 62.474 63.200 -0.474 0.000 1.032 455 S HN 0.460 nan 8.310 nan 0.000 0.511 456 Y N 2.420 122.703 120.300 -0.028 0.000 2.335 456 Y HA 0.474 5.025 4.550 0.001 0.000 0.331 456 Y C 1.536 177.462 175.900 0.043 0.000 1.094 456 Y CA 0.105 58.285 58.100 0.133 0.000 1.253 456 Y CB 0.421 39.007 38.460 0.210 0.000 1.203 456 Y HN 0.884 nan 8.280 nan 0.000 0.508 457 G N 1.130 110.050 108.800 0.199 0.000 2.630 457 G HA2 0.230 4.191 3.960 0.001 0.000 0.236 457 G HA3 0.230 4.191 3.960 0.001 0.000 0.236 457 G C 0.921 175.904 174.900 0.140 0.000 1.248 457 G CA -0.034 45.142 45.100 0.126 0.000 0.844 457 G HN 0.940 nan 8.290 nan 0.000 0.588 458 A N 1.077 123.949 122.820 0.086 0.000 2.024 458 A HA -0.040 4.280 4.320 0.001 0.000 0.220 458 A C 2.477 180.102 177.584 0.068 0.000 1.164 458 A CA 1.927 54.006 52.037 0.070 0.000 0.643 458 A CB -0.339 18.688 19.000 0.045 0.000 0.806 458 A HN 0.559 nan 8.150 nan 0.000 0.451 459 V N -0.273 119.686 119.914 0.075 0.000 2.346 459 V HA -0.267 3.853 4.120 0.001 0.000 0.244 459 V C 2.570 178.711 176.094 0.077 0.000 1.037 459 V CA 2.029 64.369 62.300 0.065 0.000 1.029 459 V CB -0.864 30.996 31.823 0.061 0.000 0.663 459 V HN 0.655 nan 8.190 nan 0.000 0.454 460 Q N -0.222 119.655 119.800 0.128 0.000 2.135 460 Q HA -0.269 4.072 4.340 0.001 0.000 0.204 460 Q C 2.168 178.189 176.000 0.035 0.000 0.981 460 Q CA 1.498 57.389 55.803 0.147 0.000 0.856 460 Q CB -0.273 28.682 28.738 0.361 0.000 0.902 460 Q HN 0.668 nan 8.270 nan 0.000 0.425 461 Q N 0.004 119.836 119.800 0.053 0.000 2.508 461 Q HA -0.093 4.247 4.340 0.001 0.000 0.214 461 Q C 1.871 177.854 176.000 -0.028 0.000 0.979 461 Q CA 0.695 56.488 55.803 -0.017 0.000 0.911 461 Q CB -0.046 28.719 28.738 0.045 0.000 0.969 461 Q HN 0.176 nan 8.270 nan 0.000 0.504 462 S N -0.146 115.550 115.700 -0.007 0.000 2.489 462 S HA 0.005 4.475 4.470 0.001 0.000 0.228 462 S C 0.749 175.336 174.600 -0.022 0.000 0.995 462 S CA 0.043 58.239 58.200 -0.005 0.000 0.934 462 S CB 0.281 63.488 63.200 0.011 0.000 0.771 462 S HN 0.136 nan 8.310 nan 0.000 0.522 463 I N 2.769 123.310 120.570 -0.049 0.000 2.353 463 I HA 0.272 4.443 4.170 0.001 0.000 0.293 463 I C 0.310 176.377 176.117 -0.083 0.000 0.992 463 I CA -0.829 60.437 61.300 -0.056 0.000 1.268 463 I CB 0.917 38.885 38.000 -0.054 0.000 1.387 463 I HN 0.170 nan 8.210 nan 0.000 0.478 464 D N 3.869 124.242 120.400 -0.044 0.000 2.487 464 D HA -0.095 4.545 4.640 0.001 0.000 0.243 464 D C 1.153 177.416 176.300 -0.063 0.000 1.154 464 D CA 0.397 54.376 54.000 -0.034 0.000 0.876 464 D CB 1.102 41.907 40.800 0.008 0.000 1.161 464 D HN 0.597 nan 8.370 nan 0.000 0.478 465 S N 3.911 119.565 115.700 -0.077 0.000 2.419 465 S HA -0.170 4.300 4.470 0.001 0.000 0.235 465 S C 1.744 176.324 174.600 -0.034 0.000 1.019 465 S CA 1.029 59.175 58.200 -0.091 0.000 0.982 465 S CB 0.074 63.239 63.200 -0.060 0.000 0.789 465 S HN 0.508 nan 8.310 nan 0.000 0.490 466 R N 0.139 120.631 120.500 -0.013 0.000 2.193 466 R HA 0.070 4.411 4.340 0.001 0.000 0.229 466 R C 1.839 178.125 176.300 -0.023 0.000 1.110 466 R CA 1.087 57.176 56.100 -0.019 0.000 0.988 466 R CB -0.261 30.019 30.300 -0.033 0.000 0.871 466 R HN 0.441 nan 8.270 nan 0.000 0.458 467 L N 0.218 121.429 121.223 -0.020 0.000 2.446 467 L HA 0.136 4.476 4.340 0.001 0.000 0.219 467 L C 0.690 177.563 176.870 0.005 0.000 1.116 467 L CA 0.132 54.966 54.840 -0.010 0.000 0.844 467 L CB 0.122 42.175 42.059 -0.010 0.000 0.970 467 L HN 0.050 nan 8.230 nan 0.000 0.457 468 I N 0.294 120.863 120.570 -0.002 0.000 2.396 468 I HA 0.219 4.390 4.170 0.001 0.000 0.292 468 I C -0.558 175.576 176.117 0.029 0.000 0.999 468 I CA -0.349 60.964 61.300 0.022 0.000 1.310 468 I CB 1.641 39.645 38.000 0.006 0.000 1.404 468 I HN -0.284 nan 8.210 nan 0.000 0.496 469 V N 4.830 124.780 119.914 0.059 0.000 2.656 469 V HA 0.329 4.449 4.120 0.001 0.000 0.307 469 V C -0.775 175.308 176.094 -0.017 0.000 1.051 469 V CA -0.866 61.428 62.300 -0.011 0.000 0.893 469 V CB 2.096 33.908 31.823 -0.019 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.426 470 D N 2.418 122.739 120.400 -0.131 0.000 2.210 470 D HA 0.480 5.120 4.640 0.001 0.000 0.249 470 D C -1.005 175.184 176.300 -0.184 0.000 1.062 470 D CA 0.129 54.082 54.000 -0.078 0.000 0.891 470 D CB 1.310 42.093 40.800 -0.029 0.000 1.186 470 D HN 0.446 nan 8.370 nan 0.000 0.432 471 W N 1.356 122.602 121.300 -0.089 0.000 2.683 471 W HA 0.466 5.127 4.660 0.001 0.000 0.329 471 W C 0.163 176.683 176.519 0.001 0.000 1.037 471 W CA -0.839 56.496 57.345 -0.017 0.000 1.232 471 W CB 1.361 30.694 29.460 -0.211 0.000 1.390 471 W HN -0.072 nan 8.180 nan 0.000 0.465 472 R N 2.955 123.661 120.500 0.344 0.000 2.514 472 R HA 0.506 4.846 4.340 0.001 0.000 0.296 472 R C -1.624 174.877 176.300 0.336 0.000 1.012 472 R CA -0.856 55.347 56.100 0.171 0.000 0.897 472 R CB 1.736 32.095 30.300 0.098 0.000 1.184 472 R HN 0.178 nan 8.270 nan 0.000 0.440 473 F N 2.935 122.747 119.950 -0.231 0.000 2.495 473 F HA 0.528 5.055 4.527 0.001 0.000 0.327 473 F C -0.358 175.347 175.800 -0.158 0.000 1.103 473 F CA -1.553 56.407 58.000 -0.066 0.000 0.949 473 F CB 1.178 40.087 39.000 -0.150 0.000 1.142 473 F HN 0.294 nan 8.300 nan 0.000 0.457 474 F N 1.102 121.249 119.950 0.330 0.000 2.467 474 F HA 0.683 5.210 4.527 0.001 0.000 0.336 474 F C 0.622 176.636 175.800 0.356 0.000 1.123 474 F CA -1.140 57.050 58.000 0.316 0.000 0.964 474 F CB 1.575 40.807 39.000 0.387 0.000 1.136 474 F HN 0.512 nan 8.300 nan 0.000 0.447 475 G N 1.849 110.909 108.800 0.433 0.000 2.462 475 G HA2 0.650 4.611 3.960 0.001 0.000 0.319 475 G HA3 0.650 4.611 3.960 0.001 0.000 0.319 475 G C -0.952 174.149 174.900 0.334 0.000 1.171 475 G CA -1.097 44.241 45.100 0.396 0.000 0.920 475 G HN 0.714 nan 8.290 nan 0.000 0.499 476 R N -0.865 119.826 120.500 0.319 0.000 2.428 476 R HA 0.651 4.992 4.340 0.001 0.000 0.294 476 R C -1.027 175.373 176.300 0.167 0.000 1.000 476 R CA -0.538 55.667 56.100 0.175 0.000 0.960 476 R CB 1.273 31.691 30.300 0.198 0.000 1.076 476 R HN 0.259 nan 8.270 nan 0.000 0.475 477 T N 2.054 116.672 114.554 0.106 0.000 2.786 477 T HA 0.109 4.460 4.350 0.001 0.000 0.283 477 T C -0.695 174.085 174.700 0.134 0.000 0.992 477 T CA -0.612 61.603 62.100 0.191 0.000 0.954 477 T CB 1.258 70.313 68.868 0.312 0.000 0.934 477 T HN 0.664 nan 8.240 nan 0.000 0.440 478 E N 4.732 125.014 120.200 0.136 0.000 2.465 478 E HA 0.066 4.417 4.350 0.001 0.000 0.260 478 E C -2.125 174.551 176.600 0.127 0.000 0.980 478 E CA -1.479 54.990 56.400 0.116 0.000 0.927 478 E CB 0.500 30.260 29.700 0.099 0.000 0.934 478 E HN 0.196 nan 8.360 nan 0.000 0.459 479 P HA 0.103 nan 4.420 nan 0.000 0.276 479 P C -1.207 176.250 177.300 0.261 0.000 1.253 479 P CA 0.154 63.394 63.100 0.233 0.000 0.766 479 P CB 0.624 32.482 31.700 0.263 0.000 0.845 480 K N 2.654 123.144 120.400 0.150 0.000 2.378 480 K HA 0.160 4.481 4.320 0.001 0.000 0.252 480 K C 0.973 177.391 176.600 -0.303 0.000 0.931 480 K CA -0.678 55.612 56.287 0.005 0.000 0.794 480 K CB 2.439 34.901 32.500 -0.064 0.000 1.181 480 K HN 0.444 nan 8.250 nan 0.000 0.425 481 E N 2.202 122.064 120.200 -0.564 0.000 2.160 481 E HA -0.217 4.134 4.350 0.001 0.000 0.195 481 E C 1.031 177.361 176.600 -0.449 0.000 0.991 481 E CA 1.549 57.352 56.400 -0.995 0.000 0.810 481 E CB 0.446 29.799 29.700 -0.579 0.000 0.742 481 E HN 0.540 nan 8.360 nan 0.000 0.466 482 E N 0.360 120.408 120.200 -0.254 0.000 2.347 482 E HA -0.107 4.244 4.350 0.001 0.000 0.196 482 E C -0.055 176.477 176.600 -0.112 0.000 1.008 482 E CA 0.286 56.595 56.400 -0.151 0.000 0.852 482 E CB -0.262 29.368 29.700 -0.116 0.000 0.783 482 E HN 0.093 nan 8.360 nan 0.000 0.505 483 N N 2.015 120.636 118.700 -0.132 0.000 2.408 483 N HA 0.181 4.922 4.740 0.001 0.000 0.257 483 N C -0.734 174.835 175.510 0.099 0.000 1.064 483 N CA 0.124 53.153 53.050 -0.034 0.000 0.952 483 N CB 1.118 39.544 38.487 -0.100 0.000 1.093 483 N HN 0.105 nan 8.380 nan 0.000 0.490 484 K N 1.285 121.799 120.400 0.191 0.000 2.426 484 K HA 0.452 4.773 4.320 0.001 0.000 0.251 484 K C -1.121 175.630 176.600 0.252 0.000 0.941 484 K CA -0.923 55.493 56.287 0.214 0.000 0.808 484 K CB 2.478 35.112 32.500 0.223 0.000 1.265 484 K HN 0.197 nan 8.250 nan 0.000 0.432 485 L N 4.108 125.425 121.223 0.157 0.000 2.298 485 L HA 0.573 4.914 4.340 0.001 0.000 0.284 485 L C -1.286 175.514 176.870 -0.117 0.000 1.013 485 L CA -0.084 54.681 54.840 -0.125 0.000 0.824 485 L CB 0.566 42.556 42.059 -0.115 0.000 1.221 485 L HN 0.688 nan 8.230 nan 0.000 0.418 486 W N 3.619 124.633 121.300 -0.477 0.000 2.992 486 W HA 0.646 5.307 4.660 0.001 0.000 0.342 486 W C -2.217 173.866 176.519 -0.726 0.000 1.176 486 W CA -1.228 55.895 57.345 -0.371 0.000 1.118 486 W CB 0.905 30.296 29.460 -0.116 0.000 1.457 486 W HN 0.336 nan 8.180 nan 0.000 0.573 487 F N 1.540 121.674 119.950 0.306 0.000 2.529 487 F HA 0.354 4.881 4.527 0.001 0.000 0.320 487 F C 0.766 176.730 175.800 0.275 0.000 1.118 487 F CA -0.919 57.141 58.000 0.099 0.000 0.915 487 F CB 2.155 41.193 39.000 0.064 0.000 1.161 487 F HN 0.275 nan 8.300 nan 0.000 0.445 488 S N 0.885 116.729 115.700 0.240 0.000 2.576 488 S HA 0.089 4.560 4.470 0.001 0.000 0.276 488 S C 0.638 175.389 174.600 0.252 0.000 1.339 488 S CA -0.511 57.869 58.200 0.301 0.000 1.039 488 S CB 0.428 63.702 63.200 0.125 0.000 0.902 488 S HN 0.693 nan 8.310 nan 0.000 0.516 489 D N 2.410 122.945 120.400 0.224 0.000 2.328 489 D HA 0.165 4.805 4.640 0.001 0.000 0.221 489 D C 0.890 177.253 176.300 0.105 0.000 1.072 489 D CA 0.221 54.306 54.000 0.142 0.000 0.850 489 D CB 0.239 41.104 40.800 0.109 0.000 0.922 489 D HN 0.393 nan 8.370 nan 0.000 0.516 490 K N -0.149 120.316 120.400 0.110 0.000 2.485 490 K HA 0.144 4.464 4.320 0.001 0.000 0.200 490 K C 0.090 176.734 176.600 0.073 0.000 1.344 490 K CA -0.081 56.255 56.287 0.081 0.000 0.948 490 K CB 0.906 33.454 32.500 0.080 0.000 1.454 490 K HN -0.007 nan 8.250 nan 0.000 0.502 491 I N 3.641 124.258 120.570 0.078 0.000 2.474 491 I HA 0.092 4.262 4.170 0.001 0.000 0.287 491 I C 0.640 176.793 176.117 0.061 0.000 1.048 491 I CA 0.183 61.518 61.300 0.057 0.000 1.383 491 I CB 0.908 38.930 38.000 0.036 0.000 1.412 491 I HN 0.210 nan 8.210 nan 0.000 0.531 492 T N 1.559 116.145 114.554 0.054 0.000 2.930 492 T HA 0.614 4.965 4.350 0.001 0.000 0.290 492 T C -0.356 174.381 174.700 0.062 0.000 1.052 492 T CA -0.923 61.216 62.100 0.065 0.000 1.017 492 T CB 2.357 71.261 68.868 0.061 0.000 1.137 492 T HN 0.537 nan 8.240 nan 0.000 0.511 493 D N 0.419 120.873 120.400 0.090 0.000 2.507 493 D HA 0.502 5.143 4.640 0.001 0.000 0.280 493 D C 1.652 177.997 176.300 0.076 0.000 1.219 493 D CA -0.462 53.597 54.000 0.098 0.000 1.085 493 D CB -0.043 40.852 40.800 0.159 0.000 1.134 493 D HN 0.637 nan 8.370 nan 0.000 0.583 494 A N -1.371 121.490 122.820 0.070 0.000 2.070 494 A HA -0.131 4.190 4.320 0.001 0.000 0.220 494 A C 1.161 178.597 177.584 -0.248 0.000 1.159 494 A CA 0.967 52.955 52.037 -0.082 0.000 0.656 494 A CB -0.994 17.937 19.000 -0.115 0.000 0.800 494 A HN 0.545 nan 8.150 nan 0.000 0.453 495 Y N -1.023 119.299 120.300 0.037 0.000 2.683 495 Y HA 0.245 4.796 4.550 0.001 0.000 0.297 495 Y C 0.781 176.711 175.900 0.050 0.000 1.147 495 Y CA -0.330 57.795 58.100 0.041 0.000 1.274 495 Y CB -0.466 38.007 38.460 0.021 0.000 1.143 495 Y HN 0.409 nan 8.280 nan 0.000 0.527 496 N N -0.016 118.752 118.700 0.114 0.000 2.725 496 N HA -0.189 4.551 4.740 0.001 0.000 0.249 496 N C -0.621 174.946 175.510 0.095 0.000 1.103 496 N CA 0.736 53.837 53.050 0.086 0.000 0.707 496 N CB -0.549 37.976 38.487 0.063 0.000 1.043 496 N HN 0.220 nan 8.380 nan 0.000 0.553 497 M N -0.443 119.231 119.600 0.123 0.000 2.598 497 M HA 0.429 4.910 4.480 0.001 0.000 0.317 497 M C -2.122 174.247 176.300 0.114 0.000 1.201 497 M CA -1.859 53.502 55.300 0.102 0.000 0.971 497 M CB 0.891 33.555 32.600 0.106 0.000 1.657 497 M HN -0.254 nan 8.290 nan 0.000 0.470 498 P HA 0.024 nan 4.420 nan 0.000 0.264 498 P C -0.761 176.693 177.300 0.256 0.000 1.193 498 P CA 0.005 63.203 63.100 0.163 0.000 0.763 498 P CB 0.265 32.065 31.700 0.167 0.000 0.810 499 Q N 6.871 126.766 119.800 0.158 0.000 2.297 499 Q HA 0.181 4.522 4.340 0.001 0.000 0.267 499 Q C -2.258 173.692 176.000 -0.084 0.000 1.006 499 Q CA -2.015 53.826 55.803 0.064 0.000 0.896 499 Q CB -0.132 28.596 28.738 -0.017 0.000 1.186 499 Q HN 0.294 nan 8.270 nan 0.000 0.392 500 P HA 0.093 nan 4.420 nan 0.000 0.271 500 P C -1.047 175.734 177.300 -0.865 0.000 1.216 500 P CA -0.092 62.550 63.100 -0.764 0.000 0.771 500 P CB 1.016 32.367 31.700 -0.581 0.000 0.864 501 T N 3.288 117.105 114.554 -1.228 0.000 2.921 501 T HA 0.494 4.845 4.350 0.001 0.000 0.297 501 T C -0.564 173.461 174.700 -1.124 0.000 1.013 501 T CA -0.110 61.290 62.100 -1.166 0.000 0.990 501 T CB 0.482 68.334 68.868 -1.694 0.000 1.023 501 T HN 0.048 nan 8.240 nan 0.000 0.447 502 F N 2.068 121.745 119.950 -0.454 0.000 2.397 502 F HA 0.523 5.051 4.527 0.001 0.000 0.331 502 F C 0.673 176.422 175.800 -0.084 0.000 1.090 502 F CA -0.938 56.921 58.000 -0.235 0.000 1.065 502 F CB 1.093 39.996 39.000 -0.161 0.000 1.184 502 F HN 0.395 nan 8.300 nan 0.000 0.499 503 D N 3.292 123.866 120.400 0.292 0.000 2.389 503 D HA 0.230 4.871 4.640 0.001 0.000 0.256 503 D C -1.807 174.633 176.300 0.234 0.000 1.239 503 D CA -0.107 54.047 54.000 0.256 0.000 0.925 503 D CB 0.355 41.337 40.800 0.304 0.000 1.145 503 D HN 0.276 nan 8.370 nan 0.000 0.542 504 F N 3.278 123.224 119.950 -0.006 0.000 2.581 504 F HA 0.608 5.135 4.527 0.001 0.000 0.311 504 F C -1.280 174.420 175.800 -0.168 0.000 1.113 504 F CA -0.595 57.336 58.000 -0.115 0.000 0.935 504 F CB 1.428 40.297 39.000 -0.218 0.000 1.232 504 F HN 0.040 nan 8.300 nan 0.000 0.445 505 R N 4.111 124.111 120.500 -0.834 0.000 2.698 505 R HA 0.359 4.699 4.340 0.001 0.000 0.275 505 R C -1.694 174.021 176.300 -0.975 0.000 1.001 505 R CA -0.954 54.785 56.100 -0.603 0.000 0.896 505 R CB 1.694 31.831 30.300 -0.272 0.000 1.218 505 R HN 0.590 nan 8.270 nan 0.000 0.462 506 F N 3.061 122.821 119.950 -0.316 0.000 2.541 506 F HA 0.181 4.708 4.527 0.001 0.000 0.378 506 F C -1.294 174.393 175.800 -0.188 0.000 1.068 506 F CA -1.140 56.752 58.000 -0.180 0.000 1.199 506 F CB -0.096 38.908 39.000 0.006 0.000 1.091 506 F HN 0.132 nan 8.300 nan 0.000 0.555 507 P HA 0.098 nan 4.420 nan 0.000 0.266 507 P C -0.554 176.759 177.300 0.021 0.000 1.195 507 P CA -0.144 62.935 63.100 -0.035 0.000 0.768 507 P CB 0.534 32.229 31.700 -0.009 0.000 0.838 508 A N 2.615 125.434 122.820 -0.001 0.000 2.429 508 A HA 0.532 4.853 4.320 0.001 0.000 0.242 508 A C 1.103 178.701 177.584 0.024 0.000 1.088 508 A CA 0.859 52.902 52.037 0.009 0.000 0.784 508 A CB -1.002 17.996 19.000 -0.003 0.000 1.038 508 A HN 0.839 nan 8.150 nan 0.000 0.501 509 G N -0.013 108.803 108.800 0.027 0.000 2.481 509 G HA2 -0.236 3.724 3.960 0.001 0.000 0.230 509 G HA3 -0.236 3.724 3.960 0.001 0.000 0.230 509 G C 0.977 175.908 174.900 0.051 0.000 1.210 509 G CA 0.731 45.853 45.100 0.036 0.000 0.936 509 G HN 1.058 nan 8.290 nan 0.000 0.583 510 R N -0.239 120.298 120.500 0.062 0.000 2.103 510 R HA -0.108 4.233 4.340 0.001 0.000 0.242 510 R C 2.769 179.128 176.300 0.098 0.000 1.142 510 R CA 2.845 58.992 56.100 0.078 0.000 0.960 510 R CB -0.918 29.431 30.300 0.081 0.000 0.858 510 R HN 0.624 nan 8.270 nan 0.000 0.439 511 T N -0.047 114.568 114.554 0.102 0.000 2.684 511 T HA -0.111 4.240 4.350 0.001 0.000 0.267 511 T C 1.928 176.687 174.700 0.097 0.000 1.036 511 T CA 1.803 63.979 62.100 0.127 0.000 1.148 511 T CB -0.165 68.796 68.868 0.155 0.000 0.863 511 T HN 0.277 nan 8.240 nan 0.000 0.436 512 S N 0.525 116.265 115.700 0.066 0.000 2.357 512 S HA -0.027 4.443 4.470 0.001 0.000 0.221 512 S C 2.039 176.651 174.600 0.021 0.000 1.031 512 S CA 1.013 59.223 58.200 0.016 0.000 0.982 512 S CB -0.210 62.995 63.200 0.008 0.000 0.853 512 S HN 0.513 nan 8.310 nan 0.000 0.458 513 K N 1.351 121.779 120.400 0.046 0.000 2.063 513 K HA -0.167 4.154 4.320 0.001 0.000 0.208 513 K C 1.860 178.519 176.600 0.098 0.000 1.048 513 K CA 1.598 57.921 56.287 0.060 0.000 0.928 513 K CB -0.137 32.402 32.500 0.065 0.000 0.713 513 K HN 0.364 nan 8.250 nan 0.000 0.442 514 E N -0.136 120.147 120.200 0.138 0.000 2.106 514 E HA -0.157 4.194 4.350 0.001 0.000 0.192 514 E C 1.992 178.694 176.600 0.169 0.000 0.984 514 E CA 0.827 57.368 56.400 0.235 0.000 0.806 514 E CB -0.094 29.776 29.700 0.283 0.000 0.750 514 E HN 0.469 nan 8.360 nan 0.000 0.458 515 A N 1.503 124.389 122.820 0.110 0.000 1.883 515 A HA -0.272 4.048 4.320 0.001 0.000 0.217 515 A C 2.095 179.758 177.584 0.132 0.000 1.186 515 A CA 1.937 54.037 52.037 0.105 0.000 0.624 515 A CB -0.419 18.592 19.000 0.019 0.000 0.822 515 A HN 0.165 nan 8.150 nan 0.000 0.444 516 E N 0.331 120.587 120.200 0.092 0.000 2.107 516 E HA -0.140 4.210 4.350 0.001 0.000 0.191 516 E C 1.276 177.863 176.600 -0.021 0.000 0.982 516 E CA 1.449 57.902 56.400 0.088 0.000 0.809 516 E CB -0.292 29.433 29.700 0.041 0.000 0.756 516 E HN 0.513 nan 8.360 nan 0.000 0.459 517 D N -0.074 120.312 120.400 -0.024 0.000 2.178 517 D HA -0.168 4.473 4.640 0.001 0.000 0.201 517 D C 1.864 177.913 176.300 -0.417 0.000 0.980 517 D CA 1.111 55.080 54.000 -0.053 0.000 0.842 517 D CB -0.280 40.623 40.800 0.171 0.000 0.948 517 D HN 0.333 nan 8.370 nan 0.000 0.472 518 M N -0.279 118.866 119.600 -0.758 0.000 2.132 518 M HA -0.172 4.308 4.480 0.001 0.000 0.263 518 M C 2.046 177.931 176.300 -0.691 0.000 1.065 518 M CA 1.142 55.650 55.300 -1.320 0.000 1.122 518 M CB 0.020 32.066 32.600 -0.922 0.000 1.365 518 M HN -0.041 nan 8.290 nan 0.000 0.411 519 M N 0.354 119.673 119.600 -0.468 0.000 2.080 519 M HA -0.163 4.318 4.480 0.001 0.000 0.260 519 M C 1.758 177.849 176.300 -0.348 0.000 1.068 519 M CA 2.385 57.410 55.300 -0.459 0.000 1.109 519 M CB -0.966 31.437 32.600 -0.328 0.000 1.342 519 M HN 0.248 nan 8.290 nan 0.000 0.405 520 T N 0.008 114.425 114.554 -0.228 0.000 2.746 520 T HA -0.162 4.189 4.350 0.001 0.000 0.267 520 T C 1.475 176.101 174.700 -0.123 0.000 1.039 520 T CA 1.793 63.810 62.100 -0.138 0.000 1.142 520 T CB -0.588 68.244 68.868 -0.060 0.000 0.866 520 T HN 0.549 nan 8.240 nan 0.000 0.444 521 D N 0.573 120.894 120.400 -0.131 0.000 2.117 521 D HA -0.073 4.567 4.640 0.001 0.000 0.197 521 D C 2.074 178.383 176.300 0.015 0.000 0.987 521 D CA 0.882 54.925 54.000 0.072 0.000 0.829 521 D CB -0.228 40.724 40.800 0.255 0.000 0.961 521 D HN 0.278 nan 8.370 nan 0.000 0.460 522 M N -0.463 118.922 119.600 -0.357 0.000 2.108 522 M HA -0.195 4.286 4.480 0.001 0.000 0.261 522 M C 1.955 177.970 176.300 -0.475 0.000 1.066 522 M CA 1.391 56.204 55.300 -0.810 0.000 1.107 522 M CB -0.182 31.642 32.600 -1.292 0.000 1.356 522 M HN 0.212 nan 8.290 nan 0.000 0.406 523 C N -0.446 118.675 119.300 -0.298 0.000 2.429 523 C HA -0.113 4.347 4.460 0.001 0.000 0.277 523 C C 2.672 177.579 174.990 -0.139 0.000 1.262 523 C CA 0.903 59.854 59.018 -0.112 0.000 1.733 523 C CB -0.951 26.764 27.740 -0.041 0.000 2.010 523 C HN 0.502 nan 8.230 nan 0.000 0.483 524 V N 0.525 120.384 119.914 -0.091 0.000 2.307 524 V HA -0.268 3.853 4.120 0.001 0.000 0.245 524 V C 2.382 178.459 176.094 -0.029 0.000 1.045 524 V CA 2.254 64.530 62.300 -0.041 0.000 1.024 524 V CB -0.641 31.207 31.823 0.043 0.000 0.651 524 V HN 0.589 nan 8.190 nan 0.000 0.449 525 M N 0.675 120.301 119.600 0.042 0.000 2.200 525 M HA -0.135 4.346 4.480 0.001 0.000 0.265 525 M C 2.408 178.597 176.300 -0.185 0.000 1.066 525 M CA 2.126 57.530 55.300 0.172 0.000 1.127 525 M CB -0.160 32.697 32.600 0.429 0.000 1.379 525 M HN 0.544 nan 8.290 nan 0.000 0.420 526 S N 0.514 115.784 115.700 -0.717 0.000 2.419 526 S HA -0.033 4.437 4.470 0.001 0.000 0.233 526 S C 1.954 176.177 174.600 -0.627 0.000 1.016 526 S CA 0.900 58.277 58.200 -1.372 0.000 0.974 526 S CB -0.778 61.331 63.200 -1.817 0.000 0.786 526 S HN 0.566 nan 8.310 nan 0.000 0.492 527 A N 2.074 124.627 122.820 -0.445 0.000 2.019 527 A HA 0.011 4.331 4.320 0.001 0.000 0.219 527 A C 2.167 179.628 177.584 -0.205 0.000 1.164 527 A CA 1.302 53.126 52.037 -0.354 0.000 0.644 527 A CB -0.519 18.304 19.000 -0.294 0.000 0.805 527 A HN 0.611 nan 8.150 nan 0.000 0.449 528 K N -0.668 119.656 120.400 -0.127 0.000 2.362 528 K HA 0.014 4.335 4.320 0.001 0.000 0.200 528 K C 1.145 177.742 176.600 -0.005 0.000 1.046 528 K CA 0.768 57.027 56.287 -0.047 0.000 0.952 528 K CB -0.004 32.504 32.500 0.015 0.000 0.753 528 K HN 0.401 nan 8.250 nan 0.000 0.466 529 I N -0.863 119.719 120.570 0.019 0.000 3.172 529 I HA 0.162 4.333 4.170 0.001 0.000 0.278 529 I C 1.095 177.229 176.117 0.028 0.000 1.174 529 I CA 0.575 61.935 61.300 0.101 0.000 1.445 529 I CB 0.023 38.231 38.000 0.347 0.000 1.175 529 I HN 0.095 nan 8.210 nan 0.000 0.447 530 G N -0.642 108.120 108.800 -0.063 0.000 2.356 530 G HA2 0.455 4.415 3.960 0.001 0.000 0.294 530 G HA3 0.455 4.415 3.960 0.001 0.000 0.294 530 G C -0.589 174.168 174.900 -0.238 0.000 1.423 530 G CA -0.185 44.854 45.100 -0.101 0.000 0.806 530 G HN 0.287 nan 8.290 nan 0.000 0.527 531 G N -1.070 107.587 108.800 -0.238 0.000 2.572 531 G HA2 0.536 4.497 3.960 0.001 0.000 0.261 531 G HA3 0.536 4.497 3.960 0.001 0.000 0.261 531 G C -0.163 174.546 174.900 -0.317 0.000 1.197 531 G CA -0.489 44.380 45.100 -0.384 0.000 0.870 531 G HN 0.473 nan 8.290 nan 0.000 0.548 532 F N -0.763 119.094 119.950 -0.155 0.000 2.553 532 F HA 0.196 4.724 4.527 0.001 0.000 0.356 532 F C 0.709 176.450 175.800 -0.099 0.000 1.142 532 F CA -0.701 57.201 58.000 -0.163 0.000 1.322 532 F CB 0.564 39.457 39.000 -0.178 0.000 1.126 532 F HN 0.188 nan 8.300 nan 0.000 0.599 533 L N 5.795 127.089 121.223 0.117 0.000 2.313 533 L HA 0.444 4.785 4.340 0.001 0.000 0.282 533 L C -2.441 174.479 176.870 0.083 0.000 1.092 533 L CA -1.919 52.967 54.840 0.077 0.000 0.831 533 L CB 0.241 42.343 42.059 0.071 0.000 1.159 533 L HN 0.278 nan 8.230 nan 0.000 0.442 534 P HA 0.171 nan 4.420 nan 0.000 0.264 534 P C 0.624 177.977 177.300 0.089 0.000 1.183 534 P CA 1.158 64.300 63.100 0.070 0.000 0.763 534 P CB 0.632 32.368 31.700 0.059 0.000 0.807 535 G N 2.016 110.862 108.800 0.077 0.000 2.225 535 G HA2 -0.237 3.723 3.960 0.001 0.000 0.254 535 G HA3 -0.237 3.723 3.960 0.001 0.000 0.254 535 G C 0.450 175.439 174.900 0.149 0.000 0.988 535 G CA 0.229 45.395 45.100 0.110 0.000 0.625 535 G HN 0.527 nan 8.290 nan 0.000 0.527 536 S N 0.844 116.604 115.700 0.099 0.000 2.474 536 S HA 0.534 5.005 4.470 0.001 0.000 0.224 536 S C 0.414 174.928 174.600 -0.143 0.000 1.209 536 S CA -0.550 57.690 58.200 0.067 0.000 1.212 536 S CB 0.322 63.526 63.200 0.006 0.000 1.137 536 S HN 0.463 nan 8.310 nan 0.000 0.446 537 L N 2.374 123.509 121.223 -0.148 0.000 2.453 537 L HA 0.376 4.716 4.340 0.001 0.000 0.261 537 L C -2.086 174.497 176.870 -0.479 0.000 1.179 537 L CA -2.335 52.285 54.840 -0.368 0.000 0.813 537 L CB -0.005 41.901 42.059 -0.255 0.000 1.110 537 L HN 0.076 nan 8.230 nan 0.000 0.466 538 P HA -0.000 nan 4.420 nan 0.000 0.263 538 P C -1.396 175.671 177.300 -0.388 0.000 1.195 538 P CA 0.153 62.860 63.100 -0.655 0.000 0.762 538 P CB 0.394 31.596 31.700 -0.830 0.000 0.799 539 Q N 1.829 121.444 119.800 -0.308 0.000 2.472 539 Q HA 0.464 4.805 4.340 0.001 0.000 0.281 539 Q C -1.486 174.376 176.000 -0.230 0.000 0.997 539 Q CA -0.869 54.837 55.803 -0.161 0.000 0.828 539 Q CB 0.668 29.386 28.738 -0.033 0.000 1.443 539 Q HN 0.085 nan 8.270 nan 0.000 0.390 540 F N 1.610 121.502 119.950 -0.096 0.000 2.443 540 F HA 0.292 4.820 4.527 0.001 0.000 0.353 540 F C 0.707 176.471 175.800 -0.060 0.000 1.101 540 F CA -0.263 57.679 58.000 -0.097 0.000 1.226 540 F CB 0.956 39.887 39.000 -0.114 0.000 1.140 540 F HN 0.410 nan 8.300 nan 0.000 0.557 541 M N 1.924 121.566 119.600 0.070 0.000 2.247 541 M HA 0.092 4.572 4.480 0.001 0.000 0.326 541 M C 0.316 176.653 176.300 0.062 0.000 1.134 541 M CA -0.358 54.956 55.300 0.024 0.000 1.136 541 M CB 0.573 33.142 32.600 -0.051 0.000 1.454 541 M HN 0.601 nan 8.290 nan 0.000 0.467 542 E N 3.172 123.383 120.200 0.019 0.000 2.608 542 E HA -0.023 4.327 4.350 0.001 0.000 0.259 542 E C -2.147 174.471 176.600 0.030 0.000 0.951 542 E CA -1.100 55.310 56.400 0.017 0.000 0.945 542 E CB 0.321 30.006 29.700 -0.024 0.000 0.916 542 E HN 0.186 nan 8.360 nan 0.000 0.477 543 P HA 0.026 nan 4.420 nan 0.000 0.262 543 P C 0.310 177.540 177.300 -0.116 0.000 1.199 543 P CA 1.182 64.320 63.100 0.064 0.000 0.763 543 P CB 0.610 32.326 31.700 0.027 0.000 0.790 544 G N 2.739 111.478 108.800 -0.102 0.000 2.213 544 G HA2 -0.316 3.645 3.960 0.001 0.000 0.236 544 G HA3 -0.316 3.645 3.960 0.001 0.000 0.236 544 G C 0.733 175.583 174.900 -0.083 0.000 0.991 544 G CA 0.152 45.150 45.100 -0.170 0.000 0.629 544 G HN 0.522 nan 8.290 nan 0.000 0.517 545 L N 1.179 122.369 121.223 -0.055 0.000 2.131 545 L HA 0.145 4.486 4.340 0.001 0.000 0.210 545 L C 2.845 179.696 176.870 -0.032 0.000 1.092 545 L CA 2.546 57.358 54.840 -0.047 0.000 0.759 545 L CB -0.432 41.591 42.059 -0.060 0.000 0.903 545 L HN 0.578 nan 8.230 nan 0.000 0.435 546 V N 0.164 120.063 119.914 -0.024 0.000 2.453 546 V HA -0.224 3.897 4.120 0.001 0.000 0.252 546 V C 1.477 177.485 176.094 -0.143 0.000 1.068 546 V CA 1.487 63.758 62.300 -0.047 0.000 1.070 546 V CB -0.339 31.503 31.823 0.030 0.000 0.664 546 V HN 0.496 nan 8.190 nan 0.000 0.461 547 L N 0.290 121.493 121.223 -0.032 0.000 3.601 547 L HA -0.229 4.112 4.340 0.001 0.000 0.469 547 L C 0.167 177.166 176.870 0.216 0.000 1.294 547 L CA 0.928 55.810 54.840 0.071 0.000 0.829 547 L CB -2.560 39.572 42.059 0.121 0.000 1.628 547 L HN 0.600 nan 8.230 nan 0.000 0.868 548 H N -0.467 118.716 119.070 0.188 0.000 2.562 548 H HA 0.294 4.850 4.556 0.001 0.000 0.249 548 H C 0.380 175.856 175.328 0.247 0.000 1.195 548 H CA -1.111 55.090 56.048 0.254 0.000 0.938 548 H CB 0.773 30.731 29.762 0.328 0.000 1.891 548 H HN 0.237 nan 8.280 nan 0.000 0.595 549 L N 2.153 123.529 121.223 0.255 0.000 2.584 549 L HA 0.163 4.503 4.340 0.001 0.000 0.272 549 L C 0.613 177.621 176.870 0.229 0.000 1.195 549 L CA 0.764 55.703 54.840 0.165 0.000 0.920 549 L CB 0.159 42.283 42.059 0.109 0.000 1.173 549 L HN 0.331 nan 8.230 nan 0.000 0.489 550 G N 2.181 111.130 108.800 0.248 0.000 2.630 550 G HA2 0.547 4.507 3.960 0.001 0.000 0.296 550 G HA3 0.547 4.507 3.960 0.001 0.000 0.296 550 G C 0.360 175.368 174.900 0.180 0.000 1.285 550 G CA -0.309 44.958 45.100 0.277 0.000 0.958 550 G HN 1.312 nan 8.290 nan 0.000 0.479 551 G N -1.064 107.804 108.800 0.113 0.000 2.159 551 G HA2 -0.250 3.710 3.960 0.001 0.000 0.256 551 G HA3 -0.250 3.710 3.960 0.001 0.000 0.256 551 G C 1.300 176.259 174.900 0.099 0.000 0.977 551 G CA 1.513 46.687 45.100 0.122 0.000 0.652 551 G HN 1.795 nan 8.290 nan 0.000 0.531 552 T N -1.875 112.685 114.554 0.009 0.000 2.995 552 T HA 0.157 4.507 4.350 0.001 0.000 0.269 552 T C 1.042 175.814 174.700 0.121 0.000 1.091 552 T CA 1.833 63.980 62.100 0.078 0.000 1.128 552 T CB -0.267 68.655 68.868 0.090 0.000 0.891 552 T HN 1.488 nan 8.240 nan 0.000 0.492 553 H N -0.130 119.014 119.070 0.124 0.000 2.695 553 H HA 0.466 5.022 4.556 0.001 0.000 0.222 553 H C -0.144 175.227 175.328 0.072 0.000 1.412 553 H CA -1.372 54.724 56.048 0.080 0.000 1.347 553 H CB -0.297 29.476 29.762 0.020 0.000 1.858 553 H HN 0.333 nan 8.280 nan 0.000 0.519 554 R N 0.611 121.194 120.500 0.138 0.000 2.615 554 R HA 0.337 4.677 4.340 0.001 0.000 0.270 554 R C -0.294 176.066 176.300 0.101 0.000 1.081 554 R CA -0.790 55.364 56.100 0.090 0.000 1.154 554 R CB 1.014 31.358 30.300 0.073 0.000 1.063 554 R HN 0.450 nan 8.270 nan 0.000 0.519 555 M N 1.160 120.795 119.600 0.059 0.000 2.274 555 M HA 0.421 4.902 4.480 0.001 0.000 0.344 555 M C -0.451 175.843 176.300 -0.009 0.000 1.161 555 M CA 0.317 55.627 55.300 0.018 0.000 1.126 555 M CB 1.463 34.048 32.600 -0.025 0.000 1.522 555 M HN 0.950 nan 8.290 nan 0.000 0.461 556 G N 2.099 110.902 108.800 0.005 0.000 2.550 556 G HA2 0.404 4.365 3.960 0.001 0.000 0.293 556 G HA3 0.404 4.365 3.960 0.001 0.000 0.293 556 G C -0.898 173.989 174.900 -0.022 0.000 1.402 556 G CA -0.687 44.360 45.100 -0.087 0.000 0.784 556 G HN 0.662 nan 8.290 nan 0.000 0.482 557 F N -0.010 120.037 119.950 0.163 0.000 2.187 557 F HA 0.248 4.777 4.527 0.002 0.000 0.295 557 F C 1.131 177.054 175.800 0.205 0.000 1.091 557 F CA 1.088 59.188 58.000 0.167 0.000 1.308 557 F CB 0.331 39.387 39.000 0.093 0.000 1.030 557 F HN 0.377 nan 8.300 nan 0.000 0.487 558 D N -0.849 119.701 120.400 0.251 0.000 2.593 558 D HA 0.127 4.768 4.640 0.001 0.000 0.251 558 D C 0.785 176.904 176.300 -0.301 0.000 1.140 558 D CA -0.220 53.775 54.000 -0.009 0.000 0.855 558 D CB 1.213 42.027 40.800 0.023 0.000 1.267 558 D HN 0.104 nan 8.370 nan 0.000 0.532 559 E N 3.119 122.766 120.200 -0.922 0.000 2.086 559 E HA -0.328 4.022 4.350 0.001 0.000 0.200 559 E C 1.272 177.678 176.600 -0.323 0.000 1.012 559 E CA 1.472 57.319 56.400 -0.920 0.000 0.812 559 E CB 0.269 29.301 29.700 -1.112 0.000 0.743 559 E HN 0.432 nan 8.360 nan 0.000 0.453 560 K N 0.156 120.419 120.400 -0.228 0.000 2.021 560 K HA -0.101 4.220 4.320 0.001 0.000 0.205 560 K C 2.056 178.619 176.600 -0.062 0.000 1.047 560 K CA 1.438 57.662 56.287 -0.104 0.000 0.943 560 K CB 0.082 32.538 32.500 -0.072 0.000 0.725 560 K HN 0.073 nan 8.250 nan 0.000 0.439 561 E N 0.192 120.361 120.200 -0.053 0.000 2.150 561 E HA -0.136 4.215 4.350 0.001 0.000 0.193 561 E C 0.619 177.213 176.600 -0.010 0.000 0.985 561 E CA 1.112 57.504 56.400 -0.013 0.000 0.814 561 E CB 0.155 29.860 29.700 0.009 0.000 0.752 561 E HN 0.361 nan 8.360 nan 0.000 0.466 562 D N 0.207 120.593 120.400 -0.023 0.000 2.368 562 D HA 0.049 4.690 4.640 0.001 0.000 0.218 562 D C -0.682 175.549 176.300 -0.115 0.000 1.112 562 D CA -0.030 53.951 54.000 -0.033 0.000 0.834 562 D CB 0.032 40.848 40.800 0.028 0.000 0.953 562 D HN 0.085 nan 8.370 nan 0.000 0.505 563 N N 0.812 119.439 118.700 -0.121 0.000 2.650 563 N HA -0.200 4.541 4.740 0.001 0.000 0.272 563 N C -0.260 175.166 175.510 -0.140 0.000 1.058 563 N CA 0.567 53.524 53.050 -0.155 0.000 0.765 563 N CB -1.284 36.997 38.487 -0.344 0.000 0.902 563 N HN 0.416 nan 8.380 nan 0.000 0.551 564 C N -3.133 116.159 119.300 -0.013 0.000 3.323 564 C HA 0.766 5.226 4.460 0.001 0.000 0.324 564 C C 1.185 176.334 174.990 0.264 0.000 1.428 564 C CA -0.689 58.392 59.018 0.106 0.000 1.368 564 C CB 1.543 29.364 27.740 0.135 0.000 1.731 564 C HN 0.505 nan 8.230 nan 0.000 0.455 565 C N 0.224 119.727 119.300 0.339 0.000 3.095 565 C HA 0.509 4.970 4.460 0.001 0.000 0.472 565 C C 0.678 175.807 174.990 0.232 0.000 1.348 565 C CA 0.707 59.922 59.018 0.327 0.000 2.206 565 C CB -0.160 27.692 27.740 0.187 0.000 3.088 565 C HN 0.979 nan 8.230 nan 0.000 0.599 566 V N 1.272 121.211 119.914 0.041 0.000 3.001 566 V HA 0.726 4.846 4.120 0.001 0.000 0.314 566 V C -0.749 174.995 176.094 -0.584 0.000 1.099 566 V CA -0.632 61.431 62.300 -0.395 0.000 0.989 566 V CB 1.540 33.241 31.823 -0.203 0.000 1.040 566 V HN 0.416 nan 8.190 nan 0.000 0.434 567 N N 0.352 118.539 118.700 -0.854 0.000 2.495 567 N HA 0.281 5.022 4.740 0.001 0.000 0.294 567 N C 0.996 176.363 175.510 -0.238 0.000 1.276 567 N CA 0.191 52.959 53.050 -0.470 0.000 0.973 567 N CB -0.119 38.096 38.487 -0.454 0.000 1.143 567 N HN 0.923 nan 8.380 nan 0.000 0.589 568 T N -4.749 109.716 114.554 -0.148 0.000 3.163 568 T HA 0.037 4.387 4.350 0.001 0.000 0.260 568 T C 0.052 174.676 174.700 -0.127 0.000 1.156 568 T CA 0.561 62.578 62.100 -0.138 0.000 1.072 568 T CB -0.392 68.420 68.868 -0.093 0.000 0.937 568 T HN 0.425 nan 8.240 nan 0.000 0.528 569 D N 0.971 121.283 120.400 -0.147 0.000 2.340 569 D HA 0.191 4.831 4.640 0.001 0.000 0.217 569 D C 0.515 176.816 176.300 0.003 0.000 1.081 569 D CA 0.084 54.015 54.000 -0.115 0.000 0.842 569 D CB 0.182 40.780 40.800 -0.337 0.000 0.934 569 D HN 0.322 nan 8.370 nan 0.000 0.511 570 S N 0.325 115.996 115.700 -0.048 0.000 3.561 570 S HA -0.253 4.218 4.470 0.001 0.000 0.318 570 S C 0.526 175.123 174.600 -0.006 0.000 1.181 570 S CA 0.457 58.664 58.200 0.012 0.000 0.916 570 S CB -1.330 61.952 63.200 0.137 0.000 0.966 570 S HN 0.466 nan 8.310 nan 0.000 0.550 571 R N 1.062 121.432 120.500 -0.216 0.000 2.349 571 R HA 0.492 4.832 4.340 0.001 0.000 0.299 571 R C -0.059 175.926 176.300 -0.524 0.000 1.027 571 R CA -0.457 55.315 56.100 -0.546 0.000 0.958 571 R CB 0.722 30.667 30.300 -0.591 0.000 1.047 571 R HN 0.128 nan 8.270 nan 0.000 0.468 572 V N 6.103 125.743 119.914 -0.458 0.000 2.529 572 V HA 0.014 4.135 4.120 0.001 0.000 0.292 572 V C 0.151 176.172 176.094 -0.123 0.000 1.028 572 V CA 0.209 62.327 62.300 -0.304 0.000 1.074 572 V CB -0.129 31.492 31.823 -0.336 0.000 0.958 572 V HN 0.574 nan 8.190 nan 0.000 0.481 573 F N 3.831 123.809 119.950 0.047 0.000 2.623 573 F HA 0.369 4.896 4.527 0.001 0.000 0.383 573 F C 1.604 177.526 175.800 0.205 0.000 1.077 573 F CA 1.621 59.678 58.000 0.095 0.000 1.268 573 F CB -0.065 38.986 39.000 0.085 0.000 1.053 573 F HN 0.792 nan 8.300 nan 0.000 0.571 574 G N 2.123 111.104 108.800 0.301 0.000 2.253 574 G HA2 -0.306 3.654 3.960 0.001 0.000 0.251 574 G HA3 -0.306 3.654 3.960 0.001 0.000 0.251 574 G C -0.106 174.738 174.900 -0.092 0.000 0.998 574 G CA -0.407 44.760 45.100 0.111 0.000 0.621 574 G HN 0.445 nan 8.290 nan 0.000 0.524 575 F N 1.247 121.219 119.950 0.036 0.000 2.426 575 F HA 0.565 5.093 4.527 0.001 0.000 0.348 575 F C 1.424 177.208 175.800 -0.027 0.000 1.124 575 F CA -0.788 57.219 58.000 0.012 0.000 1.008 575 F CB 1.705 40.711 39.000 0.009 0.000 1.139 575 F HN -0.137 nan 8.300 nan 0.000 0.452 576 K N 1.453 121.951 120.400 0.163 0.000 2.148 576 K HA -0.097 4.224 4.320 0.001 0.000 0.204 576 K C 0.789 177.602 176.600 0.355 0.000 1.050 576 K CA 1.236 57.660 56.287 0.228 0.000 0.942 576 K CB 0.036 32.680 32.500 0.239 0.000 0.724 576 K HN 0.594 nan 8.250 nan 0.000 0.446 577 N N 0.152 119.019 118.700 0.278 0.000 2.305 577 N HA 0.034 4.774 4.740 0.001 0.000 0.248 577 N C -0.748 174.853 175.510 0.151 0.000 1.290 577 N CA -0.295 52.952 53.050 0.328 0.000 0.873 577 N CB 0.146 38.865 38.487 0.388 0.000 1.261 577 N HN -0.040 nan 8.380 nan 0.000 0.504 578 L N 0.604 121.692 121.223 -0.224 0.000 2.349 578 L HA 0.695 5.036 4.340 0.001 0.000 0.278 578 L C -1.829 174.655 176.870 -0.643 0.000 0.996 578 L CA -0.628 54.068 54.840 -0.240 0.000 0.825 578 L CB 0.880 42.799 42.059 -0.233 0.000 1.243 578 L HN -0.061 nan 8.230 nan 0.000 0.412 579 F N 4.872 124.749 119.950 -0.123 0.000 2.546 579 F HA 0.671 5.199 4.527 0.001 0.000 0.320 579 F C -0.514 175.141 175.800 -0.242 0.000 1.076 579 F CA -0.740 57.170 58.000 -0.150 0.000 0.928 579 F CB 1.791 40.745 39.000 -0.076 0.000 1.189 579 F HN 0.204 nan 8.300 nan 0.000 0.465 580 L N 1.790 122.973 121.223 -0.066 0.000 2.346 580 L HA 0.882 5.223 4.340 0.001 0.000 0.276 580 L C 0.098 176.965 176.870 -0.005 0.000 1.006 580 L CA -0.793 53.931 54.840 -0.193 0.000 0.817 580 L CB 1.854 43.642 42.059 -0.452 0.000 1.272 580 L HN 0.793 nan 8.230 nan 0.000 0.421 581 G N 0.297 109.103 108.800 0.011 0.000 2.519 581 G HA2 0.793 4.754 3.960 0.001 0.000 0.307 581 G HA3 0.793 4.754 3.960 0.001 0.000 0.307 581 G C -0.511 174.503 174.900 0.190 0.000 1.266 581 G CA -0.285 44.930 45.100 0.191 0.000 0.970 581 G HN 0.966 nan 8.290 nan 0.000 0.481 582 G N -1.305 107.605 108.800 0.184 0.000 2.343 582 G HA2 0.056 4.016 3.960 0.001 0.000 0.465 582 G HA3 0.056 4.016 3.960 0.001 0.000 0.465 582 G C 0.811 175.771 174.900 0.101 0.000 1.282 582 G CA 0.053 45.239 45.100 0.143 0.000 0.996 582 G HN 1.192 nan 8.290 nan 0.000 0.521 583 C N 0.623 119.961 119.300 0.064 0.000 2.419 583 C HA 0.166 4.626 4.460 0.001 0.000 0.281 583 C C 3.100 178.082 174.990 -0.014 0.000 1.336 583 C CA 1.890 60.925 59.018 0.028 0.000 1.770 583 C CB -1.395 26.396 27.740 0.084 0.000 1.929 583 C HN 1.352 nan 8.230 nan 0.000 0.509 584 G N 1.148 109.860 108.800 -0.148 0.000 2.499 584 G HA2 -0.242 3.718 3.960 0.001 0.000 0.221 584 G HA3 -0.242 3.718 3.960 0.001 0.000 0.221 584 G C 1.423 175.978 174.900 -0.575 0.000 1.109 584 G CA 0.913 45.654 45.100 -0.599 0.000 0.749 584 G HN 0.564 nan 8.290 nan 0.000 0.568 585 N N 0.246 118.839 118.700 -0.178 0.000 2.354 585 N HA 0.037 4.777 4.740 0.001 0.000 0.179 585 N C 0.934 176.463 175.510 0.031 0.000 1.021 585 N CA 0.102 53.176 53.050 0.040 0.000 0.887 585 N CB 0.037 38.593 38.487 0.115 0.000 0.974 585 N HN 0.301 nan 8.380 nan 0.000 0.437 586 I N 3.264 123.850 120.570 0.027 0.000 2.505 586 I HA 0.021 4.191 4.170 0.001 0.000 0.287 586 I C -1.317 174.889 176.117 0.149 0.000 1.104 586 I CA -0.849 60.493 61.300 0.071 0.000 1.387 586 I CB 1.132 39.126 38.000 -0.011 0.000 1.404 586 I HN -0.048 nan 8.210 nan 0.000 0.528 587 P HA 0.062 nan 4.420 nan 0.000 0.267 587 P C 0.194 177.582 177.300 0.146 0.000 1.289 587 P CA 0.204 63.372 63.100 0.115 0.000 0.866 587 P CB 0.261 31.985 31.700 0.042 0.000 1.309 588 T N -2.138 112.538 114.554 0.203 0.000 2.923 588 T HA 0.693 5.043 4.350 0.001 0.000 0.281 588 T C 0.158 174.989 174.700 0.218 0.000 0.995 588 T CA -0.887 61.318 62.100 0.175 0.000 0.985 588 T CB 1.286 70.236 68.868 0.136 0.000 1.114 588 T HN 0.056 nan 8.240 nan 0.000 0.548 589 A N 1.688 124.571 122.820 0.105 0.000 2.302 589 A HA 0.609 4.930 4.320 0.001 0.000 0.295 589 A C -0.689 176.858 177.584 -0.061 0.000 1.235 589 A CA -0.799 51.250 52.037 0.019 0.000 0.876 589 A CB -0.852 18.180 19.000 0.053 0.000 1.133 589 A HN 0.864 nan 8.150 nan 0.000 0.533 590 Y N -0.298 119.914 120.300 -0.148 0.000 2.512 590 Y HA 0.714 5.264 4.550 0.001 0.000 0.348 590 Y C 0.701 176.484 175.900 -0.195 0.000 0.990 590 Y CA -0.764 57.063 58.100 -0.456 0.000 1.033 590 Y CB 1.383 39.325 38.460 -0.863 0.000 1.259 590 Y HN 0.400 nan 8.280 nan 0.000 0.461 591 G N 0.627 109.347 108.800 -0.132 0.000 2.673 591 G HA2 0.392 4.352 3.960 0.001 0.000 0.208 591 G HA3 0.392 4.352 3.960 0.001 0.000 0.208 591 G C 0.432 175.421 174.900 0.148 0.000 1.128 591 G CA 0.173 45.392 45.100 0.198 0.000 0.805 591 G HN 0.957 nan 8.290 nan 0.000 0.526 592 A N 0.775 123.503 122.820 -0.152 0.000 2.406 592 A HA 0.453 4.774 4.320 0.001 0.000 0.243 592 A C -0.072 177.417 177.584 -0.157 0.000 1.082 592 A CA -0.464 51.370 52.037 -0.338 0.000 0.786 592 A CB 0.020 18.811 19.000 -0.347 0.000 1.029 592 A HN 0.372 nan 8.150 nan 0.000 0.495 593 N N 2.258 120.730 118.700 -0.380 0.000 2.452 593 N HA 0.221 4.962 4.740 0.001 0.000 0.266 593 N C -1.962 173.450 175.510 -0.163 0.000 1.209 593 N CA -0.838 51.966 53.050 -0.410 0.000 0.929 593 N CB 0.496 38.809 38.487 -0.290 0.000 1.063 593 N HN 0.430 nan 8.380 nan 0.000 0.472 594 P HA -0.039 nan 4.420 nan 0.000 0.236 594 P C 0.534 177.723 177.300 -0.185 0.000 1.177 594 P CA 0.728 63.720 63.100 -0.180 0.000 0.773 594 P CB 0.303 31.844 31.700 -0.264 0.000 0.878 595 T N 1.185 115.703 114.554 -0.061 0.000 2.684 595 T HA -0.161 4.190 4.350 0.001 0.000 0.267 595 T C 1.795 176.568 174.700 0.121 0.000 1.036 595 T CA 1.195 63.321 62.100 0.044 0.000 1.148 595 T CB -0.883 68.038 68.868 0.089 0.000 0.863 595 T HN 0.044 nan 8.240 nan 0.000 0.436 596 L N 0.932 122.245 121.223 0.150 0.000 2.083 596 L HA -0.097 4.243 4.340 0.001 0.000 0.209 596 L C 2.490 179.452 176.870 0.153 0.000 1.083 596 L CA 1.736 56.727 54.840 0.252 0.000 0.752 596 L CB -1.002 41.187 42.059 0.218 0.000 0.899 596 L HN 0.184 nan 8.230 nan 0.000 0.433 597 T N -0.299 114.216 114.554 -0.065 0.000 2.746 597 T HA -0.142 4.209 4.350 0.001 0.000 0.267 597 T C 1.910 176.532 174.700 -0.130 0.000 1.039 597 T CA 1.289 63.259 62.100 -0.217 0.000 1.142 597 T CB -0.488 67.808 68.868 -0.954 0.000 0.866 597 T HN 0.539 nan 8.240 nan 0.000 0.444 598 A N 1.467 124.216 122.820 -0.119 0.000 1.902 598 A HA -0.071 4.250 4.320 0.001 0.000 0.217 598 A C 2.312 179.869 177.584 -0.045 0.000 1.181 598 A CA 1.817 53.821 52.037 -0.054 0.000 0.623 598 A CB -0.738 18.250 19.000 -0.019 0.000 0.818 598 A HN 0.523 nan 8.150 nan 0.000 0.443 599 M N -0.218 119.366 119.600 -0.027 0.000 2.086 599 M HA -0.161 4.319 4.480 0.001 0.000 0.261 599 M C 2.163 178.374 176.300 -0.148 0.000 1.067 599 M CA 2.179 57.434 55.300 -0.074 0.000 1.116 599 M CB -0.182 32.386 32.600 -0.054 0.000 1.348 599 M HN 0.385 nan 8.290 nan 0.000 0.407 600 S N 1.113 116.724 115.700 -0.148 0.000 2.370 600 S HA -0.143 4.327 4.470 0.001 0.000 0.226 600 S C 1.748 176.145 174.600 -0.338 0.000 1.033 600 S CA 1.444 59.482 58.200 -0.271 0.000 1.011 600 S CB -0.557 62.432 63.200 -0.352 0.000 0.852 600 S HN 0.518 nan 8.310 nan 0.000 0.457 601 L N 0.911 121.982 121.223 -0.253 0.000 2.083 601 L HA -0.103 4.238 4.340 0.001 0.000 0.209 601 L C 2.733 179.469 176.870 -0.223 0.000 1.083 601 L CA 1.134 55.832 54.840 -0.236 0.000 0.752 601 L CB -0.639 41.355 42.059 -0.107 0.000 0.899 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.153 122.834 122.820 -0.231 0.000 1.929 602 A HA -0.106 4.214 4.320 0.001 0.000 0.216 602 A C 2.207 179.462 177.584 -0.549 0.000 1.176 602 A CA 1.061 52.847 52.037 -0.418 0.000 0.628 602 A CB -0.502 18.261 19.000 -0.396 0.000 0.816 602 A HN 0.310 nan 8.150 nan 0.000 0.444 603 I N -0.252 120.090 120.570 -0.379 0.000 2.163 603 I HA -0.300 3.871 4.170 0.001 0.000 0.243 603 I C 2.538 178.477 176.117 -0.296 0.000 1.085 603 I CA 1.985 63.091 61.300 -0.324 0.000 1.347 603 I CB -0.186 37.634 38.000 -0.300 0.000 1.044 603 I HN 0.375 nan 8.210 nan 0.000 0.408 604 K N 0.364 120.587 120.400 -0.294 0.000 2.097 604 K HA -0.214 4.106 4.320 0.001 0.000 0.206 604 K C 2.331 178.832 176.600 -0.165 0.000 1.049 604 K CA 1.760 57.905 56.287 -0.237 0.000 0.933 604 K CB -0.116 32.210 32.500 -0.289 0.000 0.717 604 K HN 0.144 nan 8.250 nan 0.000 0.442 605 S N -0.094 115.488 115.700 -0.197 0.000 2.382 605 S HA -0.151 4.320 4.470 0.001 0.000 0.228 605 S C 2.018 176.512 174.600 -0.178 0.000 1.027 605 S CA 1.370 59.500 58.200 -0.118 0.000 0.991 605 S CB -0.425 62.740 63.200 -0.058 0.000 0.823 605 S HN 0.569 nan 8.310 nan 0.000 0.469 606 C N 1.501 120.606 119.300 -0.325 0.000 2.435 606 C HA 0.037 4.498 4.460 0.001 0.000 0.279 606 C C 2.498 177.393 174.990 -0.160 0.000 1.321 606 C CA 0.623 59.465 59.018 -0.295 0.000 1.752 606 C CB -1.378 26.148 27.740 -0.357 0.000 1.959 606 C HN 0.679 nan 8.230 nan 0.000 0.500 607 E N -0.617 119.511 120.200 -0.119 0.000 2.110 607 E HA -0.249 4.102 4.350 0.001 0.000 0.193 607 E C 1.804 178.401 176.600 -0.006 0.000 0.988 607 E CA 1.416 57.780 56.400 -0.061 0.000 0.804 607 E CB -0.283 29.376 29.700 -0.067 0.000 0.745 607 E HN 0.843 nan 8.360 nan 0.000 0.458 608 Y N 1.153 121.409 120.300 -0.074 0.000 2.163 608 Y HA -0.177 4.373 4.550 0.001 0.000 0.288 608 Y C 1.995 177.913 175.900 0.030 0.000 1.136 608 Y CA 1.363 59.461 58.100 -0.002 0.000 1.147 608 Y CB -0.065 38.432 38.460 0.061 0.000 0.987 608 Y HN -0.080 nan 8.280 nan 0.000 0.509 609 I N 0.451 121.027 120.570 0.011 0.000 2.226 609 I HA -0.330 3.841 4.170 0.001 0.000 0.245 609 I C 2.271 178.405 176.117 0.028 0.000 1.100 609 I CA 1.620 62.922 61.300 0.005 0.000 1.374 609 I CB -0.359 37.452 38.000 -0.316 0.000 1.057 609 I HN 0.173 nan 8.210 nan 0.000 0.413 610 K N 0.277 120.658 120.400 -0.032 0.000 2.211 610 K HA -0.175 4.146 4.320 0.001 0.000 0.203 610 K C 1.932 178.562 176.600 0.050 0.000 1.050 610 K CA 1.107 57.446 56.287 0.087 0.000 0.945 610 K CB -0.087 32.450 32.500 0.060 0.000 0.732 610 K HN 0.455 nan 8.250 nan 0.000 0.451 611 Q N -0.272 119.483 119.800 -0.074 0.000 2.424 611 Q HA 0.064 4.405 4.340 0.001 0.000 0.204 611 Q C 0.915 176.779 176.000 -0.227 0.000 0.933 611 Q CA 0.484 56.207 55.803 -0.134 0.000 0.929 611 Q CB 0.434 29.078 28.738 -0.156 0.000 1.037 611 Q HN 0.265 nan 8.270 nan 0.000 0.511 612 N N -1.008 117.513 118.700 -0.299 0.000 2.143 612 N HA 0.158 4.899 4.740 0.001 0.000 0.222 612 N C -1.035 174.036 175.510 -0.732 0.000 1.264 612 N CA 0.222 52.940 53.050 -0.554 0.000 0.897 612 N CB 1.086 39.054 38.487 -0.866 0.000 1.092 612 N HN -0.005 nan 8.380 nan 0.000 0.516 613 F N 0.444 120.406 119.950 0.020 0.000 2.581 613 F HA 0.321 4.849 4.527 0.001 0.000 0.311 613 F C -0.050 175.880 175.800 0.217 0.000 1.113 613 F CA -0.607 57.467 58.000 0.124 0.000 0.935 613 F CB 1.904 40.984 39.000 0.134 0.000 1.232 613 F HN -0.369 nan 8.300 nan 0.000 0.445 614 T N 3.985 118.718 114.554 0.298 0.000 2.767 614 T HA 0.442 4.793 4.350 0.001 0.000 0.284 614 T C -2.610 172.096 174.700 0.010 0.000 0.973 614 T CA -1.465 60.696 62.100 0.102 0.000 0.996 614 T CB 1.190 70.082 68.868 0.041 0.000 0.927 614 T HN 0.113 nan 8.240 nan 0.000 0.456 615 P HA 0.159 nan 4.420 nan 0.000 0.268 615 P C 0.054 177.254 177.300 -0.165 0.000 1.205 615 P CA -0.472 62.319 63.100 -0.515 0.000 0.771 615 P CB 0.299 31.494 31.700 -0.841 0.000 0.858 616 S N 3.242 118.902 115.700 -0.067 0.000 2.573 616 S HA 0.269 4.739 4.470 0.001 0.000 0.277 616 S C -2.230 172.364 174.600 -0.010 0.000 1.346 616 S CA -0.933 57.258 58.200 -0.016 0.000 1.034 616 S CB -0.866 62.336 63.200 0.004 0.000 0.879 616 S HN 0.260 nan 8.310 nan 0.000 0.528 617 P HA 0.194 nan 4.420 nan 0.000 0.271 617 P C -0.796 176.594 177.300 0.150 0.000 1.220 617 P CA -0.443 62.691 63.100 0.058 0.000 0.768 617 P CB 0.071 31.796 31.700 0.041 0.000 0.848 618 F N 4.178 124.110 119.950 -0.030 0.000 2.464 618 F HA 0.276 4.804 4.527 0.001 0.000 0.353 618 F C 0.481 176.272 175.800 -0.015 0.000 1.191 618 F CA -0.177 57.812 58.000 -0.019 0.000 1.147 618 F CB -0.776 38.215 39.000 -0.014 0.000 1.294 618 F HN 0.158 nan 8.300 nan 0.000 0.583 619 T N 0.000 114.744 114.554 0.317 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.150 62.100 0.083 0.000 1.349 619 T CB 0.000 68.910 68.868 0.071 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658