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 3bg6_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 LPGSLPQFMK 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 0.000 176.240 176.300 -0.101 0.000 1.140 43 M CA 0.000 55.251 55.300 -0.082 0.000 0.988 43 M CB 0.000 32.414 32.600 -0.309 0.000 1.302 44 D N 4.951 125.317 120.400 -0.056 0.000 2.411 44 D HA 0.387 5.028 4.640 0.001 0.000 0.251 44 D C 0.448 176.682 176.300 -0.111 0.000 1.201 44 D CA -0.406 53.524 54.000 -0.117 0.000 0.996 44 D CB 1.280 41.971 40.800 -0.183 0.000 1.101 44 D HN 0.779 nan 8.370 nan 0.000 0.504 45 I N -4.061 116.434 120.570 -0.124 0.000 3.813 45 I HA 0.367 4.538 4.170 0.001 0.000 0.323 45 I C -0.364 175.730 176.117 -0.039 0.000 1.536 45 I CA -0.850 60.449 61.300 -0.002 0.000 1.083 45 I CB 0.100 38.110 38.000 0.017 0.000 1.265 45 I HN -0.001 nan 8.210 nan 0.000 0.507 46 K N 1.607 121.795 120.400 -0.354 0.000 2.578 46 K HA 0.616 4.937 4.320 0.001 0.000 0.250 46 K C -1.986 174.211 176.600 -0.671 0.000 0.955 46 K CA -0.326 55.762 56.287 -0.331 0.000 0.825 46 K CB 1.275 33.662 32.500 -0.187 0.000 1.151 46 K HN 0.189 nan 8.250 nan 0.000 0.432 47 Y N 0.937 121.226 120.300 -0.019 0.000 2.638 47 Y HA 0.300 4.851 4.550 0.001 0.000 0.339 47 Y C 0.603 176.475 175.900 -0.046 0.000 1.084 47 Y CA -0.863 57.215 58.100 -0.035 0.000 1.068 47 Y CB 1.798 40.234 38.460 -0.040 0.000 1.294 47 Y HN 0.545 nan 8.280 nan 0.000 0.480 48 D N -0.037 120.450 120.400 0.145 0.000 2.149 48 D HA 0.068 4.709 4.640 0.001 0.000 0.206 48 D C -0.349 175.946 176.300 -0.009 0.000 0.967 48 D CA 1.405 55.468 54.000 0.105 0.000 0.848 48 D CB 0.357 41.288 40.800 0.218 0.000 0.998 48 D HN 0.112 nan 8.370 nan 0.000 0.474 49 V N 1.261 121.160 119.914 -0.024 0.000 2.638 49 V HA 0.387 4.507 4.120 0.001 0.000 0.306 49 V C -0.285 175.712 176.094 -0.162 0.000 1.052 49 V CA -1.054 61.142 62.300 -0.173 0.000 0.885 49 V CB 2.421 34.119 31.823 -0.209 0.000 0.999 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.962 122.737 119.914 -0.232 0.000 2.555 50 V HA 0.754 4.875 4.120 0.001 0.000 0.302 50 V C -0.637 175.398 176.094 -0.100 0.000 1.038 50 V CA -0.598 61.621 62.300 -0.135 0.000 0.887 50 V CB 1.717 33.536 31.823 -0.007 0.000 0.991 50 V HN 0.692 nan 8.190 nan 0.000 0.434 51 I N 4.254 124.790 120.570 -0.057 0.000 2.436 51 I HA 0.489 4.659 4.170 0.001 0.000 0.289 51 I C -0.616 175.523 176.117 0.037 0.000 1.010 51 I CA -0.944 60.313 61.300 -0.073 0.000 1.098 51 I CB 2.218 40.157 38.000 -0.102 0.000 1.266 51 I HN 0.435 nan 8.210 nan 0.000 0.434 52 V N 5.426 125.348 119.914 0.014 0.000 2.333 52 V HA 0.790 4.911 4.120 0.001 0.000 0.274 52 V C 0.472 176.574 176.094 0.014 0.000 1.028 52 V CA -0.308 62.025 62.300 0.054 0.000 0.851 52 V CB 0.522 32.352 31.823 0.013 0.000 1.000 52 V HN 1.070 nan 8.190 nan 0.000 0.456 53 G N 3.902 112.725 108.800 0.039 0.000 3.069 53 G HA2 -0.006 3.954 3.960 0.001 0.000 0.686 53 G HA3 -0.006 3.954 3.960 0.001 0.000 0.686 53 G C -0.061 174.852 174.900 0.022 0.000 1.161 53 G CA -0.244 44.868 45.100 0.021 0.000 0.804 53 G HN 1.296 nan 8.290 nan 0.000 0.608 54 S N 1.117 116.833 115.700 0.027 0.000 2.588 54 S HA 0.610 5.080 4.470 0.001 0.000 0.245 54 S C 1.280 175.891 174.600 0.019 0.000 1.021 54 S CA 0.720 58.942 58.200 0.038 0.000 1.006 54 S CB 0.577 63.811 63.200 0.056 0.000 0.830 54 S HN 1.932 nan 8.310 nan 0.000 0.468 55 G N 2.641 111.441 108.800 0.000 0.000 2.611 55 G HA2 0.396 4.357 3.960 0.001 0.000 0.273 55 G HA3 0.396 4.357 3.960 0.001 0.000 0.273 55 G C -1.157 173.722 174.900 -0.035 0.000 1.305 55 G CA -1.297 43.786 45.100 -0.029 0.000 1.010 55 G HN 0.245 nan 8.290 nan 0.000 0.509 56 P HA -0.075 nan 4.420 nan 0.000 0.220 56 P C 1.715 178.966 177.300 -0.083 0.000 1.148 56 P CA 0.850 63.904 63.100 -0.076 0.000 0.803 56 P CB 0.165 31.839 31.700 -0.043 0.000 0.782 57 I N -0.158 120.394 120.570 -0.029 0.000 2.333 57 I HA -0.017 4.153 4.170 0.001 0.000 0.246 57 I C 2.680 178.858 176.117 0.102 0.000 1.106 57 I CA 1.455 62.769 61.300 0.025 0.000 1.411 57 I CB -2.296 35.744 38.000 0.068 0.000 1.082 57 I HN -0.008 nan 8.210 nan 0.000 0.420 58 G N 0.510 109.342 108.800 0.055 0.000 2.422 58 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 58 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 58 G C 1.741 176.637 174.900 -0.006 0.000 1.146 58 G CA 0.969 46.091 45.100 0.037 0.000 0.769 58 G HN 0.411 nan 8.290 nan 0.000 0.547 59 C N 0.724 119.998 119.300 -0.043 0.000 2.419 59 C HA 0.016 4.477 4.460 0.001 0.000 0.283 59 C C 3.161 178.023 174.990 -0.214 0.000 1.373 59 C CA 1.357 60.304 59.018 -0.117 0.000 1.781 59 C CB -1.027 26.699 27.740 -0.024 0.000 1.886 59 C HN 0.442 nan 8.230 nan 0.000 0.520 60 T N -0.060 114.398 114.554 -0.159 0.000 2.737 60 T HA -0.142 4.208 4.350 0.001 0.000 0.265 60 T C 1.475 176.020 174.700 -0.259 0.000 1.038 60 T CA 1.551 63.528 62.100 -0.206 0.000 1.144 60 T CB -0.382 68.383 68.868 -0.172 0.000 0.866 60 T HN 0.563 nan 8.240 nan 0.000 0.434 61 Y N 1.521 121.681 120.300 -0.234 0.000 2.145 61 Y HA -0.044 4.507 4.550 0.001 0.000 0.286 61 Y C 2.764 178.442 175.900 -0.369 0.000 1.145 61 Y CA 0.940 58.880 58.100 -0.265 0.000 1.148 61 Y CB -0.682 37.639 38.460 -0.232 0.000 0.981 61 Y HN 0.189 nan 8.280 nan 0.000 0.507 62 A N 0.291 122.914 122.820 -0.330 0.000 1.865 62 A HA -0.260 4.061 4.320 0.001 0.000 0.217 62 A C 2.276 179.289 177.584 -0.952 0.000 1.191 62 A CA 1.993 53.582 52.037 -0.748 0.000 0.623 62 A CB -0.834 17.471 19.000 -1.158 0.000 0.826 62 A HN 0.448 nan 8.150 nan 0.000 0.444 63 R N -0.442 119.555 120.500 -0.839 0.000 2.096 63 R HA -0.183 4.157 4.340 0.001 0.000 0.240 63 R C 2.079 178.167 176.300 -0.354 0.000 1.139 63 R CA 1.846 57.610 56.100 -0.560 0.000 0.952 63 R CB -0.307 29.685 30.300 -0.513 0.000 0.854 63 R HN 0.568 nan 8.270 nan 0.000 0.436 64 E N 0.481 120.504 120.200 -0.294 0.000 2.031 64 E HA -0.202 4.149 4.350 0.001 0.000 0.193 64 E C 2.130 178.653 176.600 -0.129 0.000 0.994 64 E CA 1.498 57.797 56.400 -0.168 0.000 0.800 64 E CB -0.137 29.453 29.700 -0.182 0.000 0.752 64 E HN 0.443 nan 8.360 nan 0.000 0.447 65 L N 0.268 121.384 121.223 -0.179 0.000 2.249 65 L HA -0.052 4.289 4.340 0.001 0.000 0.207 65 L C 2.533 179.422 176.870 0.031 0.000 1.090 65 L CA 0.181 54.961 54.840 -0.100 0.000 0.802 65 L CB -0.213 41.682 42.059 -0.273 0.000 0.947 65 L HN -0.054 nan 8.230 nan 0.000 0.453 66 V N 0.619 120.462 119.914 -0.118 0.000 2.295 66 V HA -0.214 3.906 4.120 0.001 0.000 0.246 66 V C 2.649 178.752 176.094 0.014 0.000 1.049 66 V CA 2.126 64.394 62.300 -0.053 0.000 1.024 66 V CB -1.300 30.419 31.823 -0.174 0.000 0.648 66 V HN 0.562 nan 8.190 nan 0.000 0.447 67 G N -0.496 108.291 108.800 -0.021 0.000 2.448 67 G HA2 -0.147 3.813 3.960 0.001 0.000 0.219 67 G HA3 -0.147 3.813 3.960 0.001 0.000 0.219 67 G C 1.469 176.394 174.900 0.042 0.000 1.127 67 G CA 0.869 45.977 45.100 0.014 0.000 0.766 67 G HN 0.648 nan 8.290 nan 0.000 0.552 68 A N -0.539 122.330 122.820 0.081 0.000 2.251 68 A HA 0.492 4.813 4.320 0.001 0.000 0.209 68 A C 1.891 179.503 177.584 0.047 0.000 1.187 68 A CA 1.199 53.304 52.037 0.113 0.000 0.823 68 A CB -0.337 18.810 19.000 0.246 0.000 0.846 68 A HN 1.551 nan 8.150 nan 0.000 0.486 69 G N -2.275 106.554 108.800 0.048 0.000 2.144 69 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 69 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 69 G C -0.087 174.756 174.900 -0.095 0.000 0.988 69 G CA 0.063 45.145 45.100 -0.031 0.000 0.659 69 G HN 0.381 nan 8.290 nan 0.000 0.522 70 Y N 0.461 120.750 120.300 -0.019 0.000 2.336 70 Y HA 0.465 5.016 4.550 0.001 0.000 0.331 70 Y C 1.071 176.951 175.900 -0.033 0.000 1.211 70 Y CA -0.123 57.962 58.100 -0.025 0.000 1.346 70 Y CB 0.794 39.234 38.460 -0.035 0.000 1.271 70 Y HN 0.076 nan 8.280 nan 0.000 0.538 71 K N 2.785 123.253 120.400 0.112 0.000 2.292 71 K HA 0.431 4.752 4.320 0.001 0.000 0.290 71 K C -1.561 175.130 176.600 0.153 0.000 1.083 71 K CA -0.123 56.208 56.287 0.073 0.000 0.918 71 K CB 0.051 32.565 32.500 0.023 0.000 1.089 71 K HN 0.502 nan 8.250 nan 0.000 0.473 72 V N 3.101 123.086 119.914 0.117 0.000 2.555 72 V HA 0.625 4.745 4.120 0.001 0.000 0.302 72 V C -0.407 175.574 176.094 -0.189 0.000 1.038 72 V CA -0.907 61.414 62.300 0.035 0.000 0.887 72 V CB 1.570 33.458 31.823 0.107 0.000 0.991 72 V HN 0.898 nan 8.190 nan 0.000 0.434 73 A N 5.370 127.915 122.820 -0.458 0.000 2.355 73 A HA 0.963 5.284 4.320 0.001 0.000 0.324 73 A C -0.725 176.501 177.584 -0.597 0.000 1.117 73 A CA -0.645 50.893 52.037 -0.830 0.000 0.785 73 A CB 1.690 19.832 19.000 -1.431 0.000 1.254 73 A HN 0.914 nan 8.150 nan 0.000 0.453 74 M N 2.162 121.320 119.600 -0.737 0.000 2.327 74 M HA 0.718 5.198 4.480 0.001 0.000 0.298 74 M C -2.240 173.728 176.300 -0.553 0.000 1.065 74 M CA -0.368 54.691 55.300 -0.401 0.000 0.916 74 M CB 1.182 33.746 32.600 -0.060 0.000 1.630 74 M HN 0.598 nan 8.290 nan 0.000 0.442 75 F N 2.333 122.272 119.950 -0.018 0.000 2.508 75 F HA 0.582 5.110 4.527 0.001 0.000 0.325 75 F C -0.147 175.649 175.800 -0.008 0.000 1.090 75 F CA -0.499 57.510 58.000 0.015 0.000 0.945 75 F CB 1.532 40.528 39.000 -0.007 0.000 1.156 75 F HN 0.456 nan 8.300 nan 0.000 0.463 76 D N 2.678 123.179 120.400 0.168 0.000 2.879 76 D HA 0.247 4.888 4.640 0.001 0.000 0.236 76 D C 0.472 176.798 176.300 0.043 0.000 1.171 76 D CA -0.325 53.719 54.000 0.074 0.000 0.868 76 D CB 2.573 43.396 40.800 0.039 0.000 1.598 76 D HN 0.647 nan 8.370 nan 0.000 0.497 77 I N 1.896 122.442 120.570 -0.039 0.000 2.546 77 I HA 0.050 4.221 4.170 0.001 0.000 0.255 77 I C 1.164 177.241 176.117 -0.065 0.000 1.163 77 I CA 0.702 61.938 61.300 -0.107 0.000 1.457 77 I CB 0.172 37.988 38.000 -0.307 0.000 1.092 77 I HN 0.329 nan 8.210 nan 0.000 0.434 78 G N 0.058 108.835 108.800 -0.039 0.000 2.543 78 G HA2 0.366 4.327 3.960 0.001 0.000 0.290 78 G HA3 0.366 4.327 3.960 0.001 0.000 0.290 78 G C -0.787 174.130 174.900 0.028 0.000 1.310 78 G CA -0.401 44.701 45.100 0.004 0.000 1.025 78 G HN 0.316 nan 8.290 nan 0.000 0.502 79 E N -1.469 118.754 120.200 0.037 0.000 2.339 79 E HA 0.390 4.741 4.350 0.001 0.000 0.262 79 E C -0.498 176.125 176.600 0.039 0.000 0.934 79 E CA -0.767 55.657 56.400 0.039 0.000 0.802 79 E CB 2.464 32.190 29.700 0.043 0.000 1.275 79 E HN 0.268 nan 8.360 nan 0.000 0.427 80 I N 2.385 122.976 120.570 0.035 0.000 2.471 80 I HA 0.054 4.225 4.170 0.001 0.000 0.286 80 I C -0.190 175.954 176.117 0.045 0.000 1.079 80 I CA 0.532 61.854 61.300 0.037 0.000 1.398 80 I CB 0.243 38.259 38.000 0.026 0.000 1.403 80 I HN 0.556 nan 8.210 nan 0.000 0.530 81 D N 2.856 123.290 120.400 0.056 0.000 3.484 81 D HA 0.002 4.643 4.640 0.001 0.000 0.315 81 D C -0.296 176.058 176.300 0.090 0.000 1.516 81 D CA -0.311 53.729 54.000 0.068 0.000 0.755 81 D CB -0.285 40.554 40.800 0.064 0.000 1.306 81 D HN 0.263 nan 8.370 nan 0.000 0.615 82 S N -0.006 115.750 115.700 0.093 0.000 2.651 82 S HA 0.643 5.113 4.470 0.001 0.000 0.246 82 S C 0.949 175.621 174.600 0.119 0.000 1.039 82 S CA 0.003 58.278 58.200 0.124 0.000 1.013 82 S CB 0.894 64.171 63.200 0.128 0.000 0.861 82 S HN 0.913 nan 8.310 nan 0.000 0.485 83 G N 1.594 110.451 108.800 0.094 0.000 2.568 83 G HA2 -0.220 3.741 3.960 0.001 0.000 0.222 83 G HA3 -0.220 3.741 3.960 0.001 0.000 0.222 83 G C 0.277 175.211 174.900 0.057 0.000 1.321 83 G CA -0.319 44.828 45.100 0.079 0.000 0.893 83 G HN 0.298 nan 8.290 nan 0.000 0.569 84 L N 0.285 121.536 121.223 0.047 0.000 2.291 84 L HA 0.120 4.460 4.340 0.001 0.000 0.214 84 L C 1.481 178.364 176.870 0.022 0.000 1.120 84 L CA 1.016 55.873 54.840 0.028 0.000 0.799 84 L CB -0.304 41.767 42.059 0.019 0.000 0.925 84 L HN 0.304 nan 8.230 nan 0.000 0.446 85 K N 1.684 122.106 120.400 0.038 0.000 2.250 85 K HA 0.343 4.664 4.320 0.001 0.000 0.280 85 K C -0.347 176.276 176.600 0.038 0.000 1.098 85 K CA -0.265 56.041 56.287 0.031 0.000 0.916 85 K CB 0.945 33.477 32.500 0.054 0.000 1.209 85 K HN 0.082 nan 8.250 nan 0.000 0.461 86 I N 2.031 122.608 120.570 0.012 0.000 2.587 86 I HA -0.064 4.106 4.170 0.001 0.000 0.284 86 I C 1.326 177.461 176.117 0.029 0.000 1.134 86 I CA 0.758 62.068 61.300 0.018 0.000 1.410 86 I CB 0.298 38.297 38.000 -0.001 0.000 1.392 86 I HN 0.960 nan 8.210 nan 0.000 0.545 87 G N 4.314 113.143 108.800 0.049 0.000 2.143 87 G HA2 -0.201 3.760 3.960 0.001 0.000 0.248 87 G HA3 -0.201 3.760 3.960 0.001 0.000 0.248 87 G C 0.298 175.248 174.900 0.083 0.000 0.991 87 G CA 0.068 45.201 45.100 0.055 0.000 0.689 87 G HN 0.957 nan 8.290 nan 0.000 0.522 88 A N -0.429 122.457 122.820 0.110 0.000 2.257 88 A HA 0.641 4.961 4.320 0.001 0.000 0.289 88 A C 0.546 178.256 177.584 0.210 0.000 1.095 88 A CA -0.366 51.773 52.037 0.171 0.000 0.836 88 A CB 0.317 19.421 19.000 0.172 0.000 1.111 88 A HN 0.591 nan 8.150 nan 0.000 0.497 89 H N 0.525 119.733 119.070 0.230 0.000 2.975 89 H HA 0.087 4.644 4.556 0.001 0.000 0.303 89 H C 0.713 176.177 175.328 0.228 0.000 1.023 89 H CA 0.757 56.957 56.048 0.253 0.000 1.473 89 H CB 0.779 30.710 29.762 0.282 0.000 1.498 89 H HN 0.670 nan 8.280 nan 0.000 0.549 90 K N 3.481 124.084 120.400 0.339 0.000 2.362 90 K HA -0.102 4.218 4.320 0.001 0.000 0.200 90 K C 1.678 178.546 176.600 0.447 0.000 1.046 90 K CA 0.630 57.176 56.287 0.432 0.000 0.952 90 K CB 0.345 33.125 32.500 0.467 0.000 0.753 90 K HN 0.414 nan 8.250 nan 0.000 0.466 91 K N 1.018 121.553 120.400 0.225 0.000 2.525 91 K HA -0.003 4.317 4.320 0.001 0.000 0.192 91 K C 0.290 176.939 176.600 0.082 0.000 1.029 91 K CA 0.378 56.481 56.287 -0.306 0.000 1.029 91 K CB 0.241 32.127 32.500 -1.023 0.000 0.814 91 K HN -0.011 nan 8.250 nan 0.000 0.503 92 N N 1.841 120.696 118.700 0.259 0.000 2.623 92 N HA -0.018 4.723 4.740 0.001 0.000 0.263 92 N C -0.772 175.018 175.510 0.466 0.000 1.218 92 N CA 0.277 53.526 53.050 0.331 0.000 0.949 92 N CB 0.674 39.385 38.487 0.372 0.000 1.270 92 N HN 0.260 nan 8.380 nan 0.000 0.507 93 T N -4.308 110.491 114.554 0.408 0.000 2.918 93 T HA 0.339 4.690 4.350 0.001 0.000 0.286 93 T C 1.510 176.432 174.700 0.370 0.000 1.026 93 T CA -0.770 61.538 62.100 0.348 0.000 1.031 93 T CB 1.670 70.680 68.868 0.236 0.000 1.046 93 T HN -0.188 nan 8.240 nan 0.000 0.479 94 V N 1.393 121.474 119.914 0.279 0.000 2.332 94 V HA -0.130 3.991 4.120 0.001 0.000 0.248 94 V C 2.809 178.989 176.094 0.143 0.000 1.055 94 V CA 2.380 64.823 62.300 0.239 0.000 1.038 94 V CB -0.998 30.888 31.823 0.105 0.000 0.651 94 V HN 1.034 nan 8.190 nan 0.000 0.450 95 E N -0.396 119.826 120.200 0.037 0.000 2.077 95 E HA -0.205 4.146 4.350 0.001 0.000 0.193 95 E C 1.979 178.542 176.600 -0.061 0.000 0.989 95 E CA 1.618 57.974 56.400 -0.074 0.000 0.800 95 E CB -0.304 29.265 29.700 -0.217 0.000 0.746 95 E HN 0.703 nan 8.360 nan 0.000 0.452 96 Y N 0.623 121.009 120.300 0.143 0.000 2.439 96 Y HA 0.014 4.564 4.550 0.001 0.000 0.292 96 Y C 2.025 177.964 175.900 0.065 0.000 1.130 96 Y CA 0.940 59.114 58.100 0.122 0.000 1.254 96 Y CB -0.053 38.486 38.460 0.132 0.000 1.000 96 Y HN 0.150 nan 8.280 nan 0.000 0.554 97 Q N -0.180 119.737 119.800 0.195 0.000 2.389 97 Q HA -0.072 4.268 4.340 0.001 0.000 0.204 97 Q C 1.573 177.646 176.000 0.121 0.000 0.944 97 Q CA 0.729 56.599 55.803 0.112 0.000 0.908 97 Q CB 0.047 28.794 28.738 0.016 0.000 1.002 97 Q HN 0.495 nan 8.270 nan 0.000 0.493 98 K N 0.456 120.930 120.400 0.124 0.000 2.211 98 K HA 0.069 4.390 4.320 0.001 0.000 0.201 98 K C 0.587 177.246 176.600 0.098 0.000 1.052 98 K CA 0.481 56.824 56.287 0.094 0.000 0.973 98 K CB 0.446 32.989 32.500 0.070 0.000 0.766 98 K HN 0.104 nan 8.250 nan 0.000 0.466 99 N N 1.465 120.244 118.700 0.131 0.000 2.757 99 N HA 0.059 4.800 4.740 0.001 0.000 0.296 99 N C 0.251 175.905 175.510 0.240 0.000 1.874 99 N CA 0.030 53.173 53.050 0.155 0.000 0.885 99 N CB 1.075 39.641 38.487 0.131 0.000 1.242 99 N HN 0.036 nan 8.380 nan 0.000 0.488 100 I N 0.843 121.533 120.570 0.200 0.000 2.361 100 I HA -0.191 3.980 4.170 0.001 0.000 0.251 100 I C 0.908 177.157 176.117 0.220 0.000 1.133 100 I CA 1.544 62.965 61.300 0.203 0.000 1.413 100 I CB 0.068 38.142 38.000 0.124 0.000 1.073 100 I HN 0.127 nan 8.210 nan 0.000 0.424 101 D N 0.901 121.425 120.400 0.207 0.000 2.264 101 D HA -0.142 4.498 4.640 0.001 0.000 0.208 101 D C 2.001 178.397 176.300 0.160 0.000 0.966 101 D CA 0.627 54.741 54.000 0.190 0.000 0.864 101 D CB -0.022 40.916 40.800 0.230 0.000 0.933 101 D HN 0.242 nan 8.370 nan 0.000 0.499 102 K N -0.062 120.471 120.400 0.221 0.000 2.362 102 K HA -0.091 4.229 4.320 0.001 0.000 0.200 102 K C 1.721 178.424 176.600 0.172 0.000 1.046 102 K CA 0.065 56.492 56.287 0.233 0.000 0.952 102 K CB -0.396 32.315 32.500 0.352 0.000 0.753 102 K HN 0.227 nan 8.250 nan 0.000 0.466 103 F N 1.353 121.272 119.950 -0.051 0.000 2.365 103 F HA -0.153 4.374 4.527 0.001 0.000 0.300 103 F C 1.840 177.516 175.800 -0.207 0.000 1.090 103 F CA 0.504 58.308 58.000 -0.327 0.000 1.408 103 F CB -0.062 38.727 39.000 -0.351 0.000 1.060 103 F HN -0.291 nan 8.300 nan 0.000 0.534 104 V N 0.414 120.235 119.914 -0.156 0.000 2.469 104 V HA -0.371 3.749 4.120 0.001 0.000 0.251 104 V C 1.835 177.746 176.094 -0.305 0.000 1.064 104 V CA 2.366 64.527 62.300 -0.231 0.000 1.066 104 V CB -1.048 30.657 31.823 -0.197 0.000 0.667 104 V HN 0.382 nan 8.190 nan 0.000 0.461 105 N N -0.064 118.485 118.700 -0.251 0.000 2.188 105 N HA -0.132 4.608 4.740 0.001 0.000 0.184 105 N C 1.682 177.013 175.510 -0.298 0.000 1.018 105 N CA 1.296 54.218 53.050 -0.213 0.000 0.858 105 N CB -0.274 38.151 38.487 -0.103 0.000 0.989 105 N HN 0.334 nan 8.380 nan 0.000 0.426 106 V N 1.290 120.905 119.914 -0.498 0.000 2.295 106 V HA -0.210 3.911 4.120 0.001 0.000 0.246 106 V C 2.034 177.787 176.094 -0.568 0.000 1.049 106 V CA 1.443 63.390 62.300 -0.589 0.000 1.024 106 V CB -0.532 30.669 31.823 -1.037 0.000 0.648 106 V HN 0.301 nan 8.190 nan 0.000 0.447 107 I N -0.314 119.833 120.570 -0.705 0.000 2.179 107 I HA -0.320 3.850 4.170 0.001 0.000 0.242 107 I C 2.713 178.581 176.117 -0.414 0.000 1.088 107 I CA 1.737 62.678 61.300 -0.598 0.000 1.357 107 I CB -0.452 37.239 38.000 -0.515 0.000 1.051 107 I HN 0.341 nan 8.210 nan 0.000 0.409 108 Q N 0.396 120.007 119.800 -0.316 0.000 2.124 108 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 108 Q C 2.302 178.203 176.000 -0.166 0.000 0.977 108 Q CA 1.499 57.173 55.803 -0.215 0.000 0.850 108 Q CB -0.402 28.225 28.738 -0.185 0.000 0.901 108 Q HN 0.654 nan 8.270 nan 0.000 0.429 109 G N 1.136 109.835 108.800 -0.169 0.000 2.509 109 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 109 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 109 G C 0.915 175.769 174.900 -0.076 0.000 1.124 109 G CA 0.550 45.587 45.100 -0.105 0.000 0.776 109 G HN 0.462 nan 8.290 nan 0.000 0.547 110 Q N -0.590 119.148 119.800 -0.103 0.000 2.155 110 Q HA 0.477 4.817 4.340 0.001 0.000 0.273 110 Q C -0.473 175.510 176.000 -0.028 0.000 0.857 110 Q CA -0.292 55.488 55.803 -0.038 0.000 1.116 110 Q CB 0.191 28.931 28.738 0.003 0.000 1.209 110 Q HN 0.228 nan 8.270 nan 0.000 0.460 111 L N 1.783 122.970 121.223 -0.060 0.000 2.316 111 L HA 0.559 4.899 4.340 0.001 0.000 0.280 111 L C -1.029 175.839 176.870 -0.003 0.000 1.006 111 L CA -0.871 53.953 54.840 -0.027 0.000 0.836 111 L CB 1.621 43.632 42.059 -0.080 0.000 1.221 111 L HN 0.234 nan 8.230 nan 0.000 0.418 112 M N 2.124 121.748 119.600 0.040 0.000 2.205 112 M HA 0.308 4.789 4.480 0.001 0.000 0.344 112 M C 0.127 176.461 176.300 0.057 0.000 1.085 112 M CA -0.129 55.201 55.300 0.050 0.000 1.001 112 M CB 1.782 34.432 32.600 0.085 0.000 1.626 112 M HN 0.319 nan 8.290 nan 0.000 0.442 113 S N 1.850 117.571 115.700 0.035 0.000 2.552 113 S HA 0.106 4.577 4.470 0.001 0.000 0.289 113 S C 1.452 176.084 174.600 0.054 0.000 1.304 113 S CA -0.593 57.628 58.200 0.035 0.000 1.063 113 S CB 0.559 63.766 63.200 0.013 0.000 0.848 113 S HN 0.587 nan 8.310 nan 0.000 0.499 114 V N 2.441 122.400 119.914 0.076 0.000 2.323 114 V HA 0.011 4.132 4.120 0.001 0.000 0.244 114 V C 1.180 177.275 176.094 0.001 0.000 1.041 114 V CA 1.371 63.708 62.300 0.061 0.000 1.025 114 V CB 0.061 31.959 31.823 0.124 0.000 0.656 114 V HN 0.793 nan 8.190 nan 0.000 0.451 115 S N -0.573 115.148 115.700 0.034 0.000 2.720 115 S HA 0.543 5.013 4.470 0.001 0.000 0.278 115 S C -1.171 173.428 174.600 -0.001 0.000 1.172 115 S CA -0.445 57.739 58.200 -0.026 0.000 1.019 115 S CB 1.519 64.665 63.200 -0.089 0.000 1.049 115 S HN -0.012 nan 8.310 nan 0.000 0.483 116 V N 7.752 127.652 119.914 -0.023 0.000 2.409 116 V HA 0.567 4.688 4.120 0.001 0.000 0.291 116 V C -2.026 174.047 176.094 -0.035 0.000 1.020 116 V CA -1.802 60.484 62.300 -0.023 0.000 0.848 116 V CB 1.615 33.424 31.823 -0.023 0.000 0.990 116 V HN 0.703 nan 8.190 nan 0.000 0.430 117 P HA 0.186 nan 4.420 nan 0.000 0.274 117 P C -0.168 177.104 177.300 -0.047 0.000 1.256 117 P CA -0.196 62.880 63.100 -0.039 0.000 0.795 117 P CB 0.814 32.492 31.700 -0.037 0.000 1.038 118 V N 2.194 122.083 119.914 -0.043 0.000 2.617 118 V HA -0.055 4.066 4.120 0.001 0.000 0.304 118 V C 1.275 177.312 176.094 -0.094 0.000 1.040 118 V CA 0.286 62.556 62.300 -0.050 0.000 1.149 118 V CB -0.810 31.004 31.823 -0.014 0.000 0.914 118 V HN 0.608 nan 8.190 nan 0.000 0.487 119 N N 3.694 122.332 118.700 -0.104 0.000 2.497 119 N HA 0.090 4.830 4.740 0.001 0.000 0.271 119 N C 0.624 175.965 175.510 -0.282 0.000 1.142 119 N CA 0.384 53.349 53.050 -0.142 0.000 0.965 119 N CB 1.547 39.979 38.487 -0.091 0.000 1.077 119 N HN 0.863 nan 8.380 nan 0.000 0.462 120 T N 0.958 115.237 114.554 -0.458 0.000 3.228 120 T HA 0.273 4.624 4.350 0.001 0.000 0.278 120 T C 0.783 175.091 174.700 -0.653 0.000 1.014 120 T CA -0.458 60.987 62.100 -1.092 0.000 0.904 120 T CB -0.447 67.835 68.868 -0.977 0.000 1.110 120 T HN 0.276 nan 8.240 nan 0.000 0.541 121 L N 1.940 123.020 121.223 -0.238 0.000 2.416 121 L HA 0.394 4.735 4.340 0.001 0.000 0.272 121 L C 0.046 176.984 176.870 0.113 0.000 1.161 121 L CA -0.791 54.014 54.840 -0.057 0.000 0.845 121 L CB 0.870 42.912 42.059 -0.027 0.000 1.119 121 L HN 0.068 nan 8.230 nan 0.000 0.464 122 V N 4.469 124.460 119.914 0.129 0.000 2.406 122 V HA 0.201 4.322 4.120 0.001 0.000 0.272 122 V C 0.184 176.341 176.094 0.105 0.000 1.043 122 V CA -0.510 61.902 62.300 0.187 0.000 0.915 122 V CB 1.596 33.512 31.823 0.154 0.000 0.988 122 V HN 0.425 nan 8.190 nan 0.000 0.466 123 V N 5.198 125.171 119.914 0.098 0.000 2.313 123 V HA 0.351 4.472 4.120 0.001 0.000 0.278 123 V C 0.156 176.275 176.094 0.043 0.000 1.017 123 V CA -0.438 61.898 62.300 0.061 0.000 0.823 123 V CB 1.321 33.181 31.823 0.062 0.000 1.010 123 V HN 1.063 nan 8.190 nan 0.000 0.443 124 D N 2.005 122.423 120.400 0.031 0.000 2.501 124 D HA 0.013 4.654 4.640 0.001 0.000 0.224 124 D C 1.116 177.423 176.300 0.011 0.000 1.202 124 D CA 0.228 54.237 54.000 0.016 0.000 0.829 124 D CB 0.436 41.244 40.800 0.014 0.000 1.023 124 D HN 0.555 nan 8.370 nan 0.000 0.499 125 T N -1.787 112.777 114.554 0.017 0.000 3.228 125 T HA 0.339 4.689 4.350 0.001 0.000 0.278 125 T C 0.641 175.351 174.700 0.017 0.000 1.014 125 T CA -0.563 61.546 62.100 0.014 0.000 0.904 125 T CB -0.357 68.520 68.868 0.015 0.000 1.110 125 T HN 0.011 nan 8.240 nan 0.000 0.541 126 L N 1.965 123.199 121.223 0.018 0.000 2.467 126 L HA 0.332 4.672 4.340 0.001 0.000 0.270 126 L C 1.140 178.019 176.870 0.015 0.000 1.205 126 L CA -0.577 54.277 54.840 0.023 0.000 0.828 126 L CB 0.353 42.429 42.059 0.030 0.000 1.101 126 L HN 0.244 nan 8.230 nan 0.000 0.479 127 S N 1.816 117.528 115.700 0.020 0.000 2.560 127 S HA 0.104 4.575 4.470 0.001 0.000 0.284 127 S C -1.452 173.153 174.600 0.008 0.000 1.327 127 S CA -1.003 57.206 58.200 0.015 0.000 1.055 127 S CB 0.799 64.011 63.200 0.021 0.000 0.868 127 S HN 0.408 nan 8.310 nan 0.000 0.506 128 P HA -0.074 nan 4.420 nan 0.000 0.221 128 P C 1.386 178.683 177.300 -0.005 0.000 1.145 128 P CA 1.338 64.431 63.100 -0.011 0.000 0.795 128 P CB -0.179 31.514 31.700 -0.011 0.000 0.775 129 T N -5.413 109.147 114.554 0.010 0.000 3.055 129 T HA 0.066 4.417 4.350 0.001 0.000 0.265 129 T C 1.049 175.777 174.700 0.046 0.000 1.111 129 T CA 0.183 62.297 62.100 0.023 0.000 1.118 129 T CB -0.631 68.253 68.868 0.026 0.000 0.909 129 T HN -0.099 nan 8.240 nan 0.000 0.501 130 S N 1.323 117.054 115.700 0.052 0.000 2.564 130 S HA 0.280 4.751 4.470 0.001 0.000 0.278 130 S C -0.539 174.133 174.600 0.120 0.000 1.333 130 S CA -0.981 57.278 58.200 0.099 0.000 1.048 130 S CB 0.115 63.369 63.200 0.090 0.000 0.900 130 S HN 0.589 nan 8.310 nan 0.000 0.505 131 W N 3.934 125.242 121.300 0.013 0.000 2.264 131 W HA 0.227 4.888 4.660 0.001 0.000 0.331 131 W C 0.302 176.835 176.519 0.024 0.000 1.364 131 W CA 0.216 57.568 57.345 0.013 0.000 1.253 131 W CB 0.120 29.589 29.460 0.014 0.000 1.215 131 W HN 0.619 nan 8.180 nan 0.000 0.561 132 Q N 4.981 124.390 119.800 -0.651 0.000 2.379 132 Q HA 0.738 5.079 4.340 0.001 0.000 0.278 132 Q C -1.204 174.304 176.000 -0.820 0.000 1.068 132 Q CA -1.198 54.323 55.803 -0.469 0.000 0.816 132 Q CB 1.587 30.201 28.738 -0.206 0.000 1.387 132 Q HN 0.574 nan 8.270 nan 0.000 0.413 133 A N 1.589 124.179 122.820 -0.383 0.000 2.462 133 A HA 0.344 4.664 4.320 0.001 0.000 0.243 133 A C 0.363 177.791 177.584 -0.260 0.000 1.076 133 A CA -0.107 51.798 52.037 -0.219 0.000 0.773 133 A CB 0.511 19.611 19.000 0.167 0.000 1.010 133 A HN 0.816 nan 8.150 nan 0.000 0.493 134 S N -0.238 115.332 115.700 -0.216 0.000 2.503 134 S HA 0.113 4.584 4.470 0.001 0.000 0.215 134 S C 0.885 175.387 174.600 -0.164 0.000 1.003 134 S CA 0.823 58.912 58.200 -0.184 0.000 0.910 134 S CB -0.016 63.092 63.200 -0.152 0.000 0.790 134 S HN 1.092 nan 8.310 nan 0.000 0.514 135 T N -1.222 113.277 114.554 -0.092 0.000 2.865 135 T HA 0.651 5.002 4.350 0.001 0.000 0.294 135 T C -0.953 173.702 174.700 -0.075 0.000 1.119 135 T CA -0.742 61.304 62.100 -0.089 0.000 1.007 135 T CB 0.748 69.659 68.868 0.072 0.000 1.225 135 T HN -0.083 nan 8.240 nan 0.000 0.515 136 F N 2.910 122.941 119.950 0.134 0.000 2.499 136 F HA 0.413 4.940 4.527 0.001 0.000 0.353 136 F C 0.276 176.125 175.800 0.082 0.000 1.196 136 F CA -1.777 56.260 58.000 0.062 0.000 1.244 136 F CB -0.807 38.201 39.000 0.014 0.000 1.577 136 F HN 0.555 nan 8.300 nan 0.000 0.614 137 F N -0.548 119.508 119.950 0.177 0.000 2.368 137 F HA 0.659 5.186 4.527 0.001 0.000 0.315 137 F C -0.136 175.735 175.800 0.118 0.000 1.145 137 F CA -1.711 56.366 58.000 0.129 0.000 1.095 137 F CB -0.116 38.951 39.000 0.112 0.000 1.286 137 F HN -0.165 nan 8.300 nan 0.000 0.530 138 V N 2.733 122.795 119.914 0.246 0.000 2.446 138 V HA 0.271 4.392 4.120 0.001 0.000 0.276 138 V C 0.094 176.214 176.094 0.043 0.000 1.030 138 V CA -0.007 62.348 62.300 0.091 0.000 1.033 138 V CB -0.448 31.448 31.823 0.121 0.000 0.993 138 V HN 0.710 nan 8.190 nan 0.000 0.477 139 R N 4.021 124.449 120.500 -0.120 0.000 2.744 139 R HA 0.454 4.794 4.340 0.001 0.000 0.279 139 R C 0.049 176.307 176.300 -0.070 0.000 0.977 139 R CA -0.900 55.104 56.100 -0.159 0.000 0.906 139 R CB 1.359 31.434 30.300 -0.376 0.000 1.197 139 R HN 0.712 nan 8.270 nan 0.000 0.463 140 N N 0.955 119.636 118.700 -0.031 0.000 2.735 140 N HA -0.192 4.548 4.740 0.001 0.000 0.248 140 N C 0.514 176.011 175.510 -0.020 0.000 1.083 140 N CA 1.514 54.549 53.050 -0.025 0.000 0.703 140 N CB -1.168 37.297 38.487 -0.038 0.000 1.005 140 N HN 1.101 nan 8.380 nan 0.000 0.550 141 G N -1.738 107.056 108.800 -0.010 0.000 2.162 141 G HA2 -0.343 3.617 3.960 0.001 0.000 0.260 141 G HA3 -0.343 3.617 3.960 0.001 0.000 0.260 141 G C 0.330 175.224 174.900 -0.010 0.000 0.976 141 G CA 1.009 46.106 45.100 -0.005 0.000 0.655 141 G HN 1.356 nan 8.290 nan 0.000 0.533 142 S N -0.544 115.144 115.700 -0.020 0.000 2.576 142 S HA 0.425 4.896 4.470 0.001 0.000 0.272 142 S C 0.155 174.744 174.600 -0.019 0.000 1.352 142 S CA 0.179 58.364 58.200 -0.026 0.000 1.021 142 S CB 1.665 64.842 63.200 -0.038 0.000 0.887 142 S HN 0.735 nan 8.310 nan 0.000 0.542 143 N N 1.989 120.670 118.700 -0.032 0.000 2.501 143 N HA 0.363 5.103 4.740 0.001 0.000 0.245 143 N C -1.726 173.765 175.510 -0.032 0.000 0.974 143 N CA -2.546 50.477 53.050 -0.044 0.000 0.941 143 N CB 1.289 39.723 38.487 -0.090 0.000 1.122 143 N HN 0.366 nan 8.380 nan 0.000 0.507 144 P HA -0.032 nan 4.420 nan 0.000 0.237 144 P C 0.230 177.546 177.300 0.027 0.000 1.178 144 P CA 0.760 63.872 63.100 0.021 0.000 0.766 144 P CB 0.569 32.298 31.700 0.048 0.000 0.876 145 E N -0.204 119.997 120.200 0.002 0.000 2.358 145 E HA -0.084 4.266 4.350 0.001 0.000 0.195 145 E C 0.870 177.468 176.600 -0.004 0.000 1.010 145 E CA 0.529 56.947 56.400 0.030 0.000 0.856 145 E CB -0.046 29.620 29.700 -0.056 0.000 0.795 145 E HN 0.294 nan 8.360 nan 0.000 0.504 146 Q N 2.184 121.949 119.800 -0.057 0.000 2.295 146 Q HA 0.035 4.375 4.340 0.001 0.000 0.259 146 Q C -0.875 175.126 176.000 0.001 0.000 0.976 146 Q CA -0.196 55.571 55.803 -0.060 0.000 0.923 146 Q CB 0.856 29.548 28.738 -0.077 0.000 1.185 146 Q HN -0.192 nan 8.270 nan 0.000 0.410 147 D N 5.914 126.333 120.400 0.032 0.000 2.343 147 D HA 0.096 4.737 4.640 0.001 0.000 0.255 147 D C -1.715 174.595 176.300 0.018 0.000 1.187 147 D CA -1.993 52.027 54.000 0.034 0.000 0.875 147 D CB 1.279 42.113 40.800 0.057 0.000 1.136 147 D HN 0.421 nan 8.370 nan 0.000 0.469 148 P HA -0.091 nan 4.420 nan 0.000 0.222 148 P C 1.281 178.579 177.300 -0.003 0.000 1.147 148 P CA 0.708 63.802 63.100 -0.011 0.000 0.790 148 P CB 0.367 32.049 31.700 -0.030 0.000 0.780 149 L N -1.206 120.020 121.223 0.004 0.000 2.592 149 L HA 0.160 4.501 4.340 0.001 0.000 0.227 149 L C 1.526 178.406 176.870 0.017 0.000 1.127 149 L CA 0.279 55.123 54.840 0.006 0.000 0.884 149 L CB -0.160 41.900 42.059 0.002 0.000 1.065 149 L HN -0.151 nan 8.230 nan 0.000 0.457 150 R N -0.230 120.288 120.500 0.031 0.000 2.734 150 R HA 0.215 4.556 4.340 0.001 0.000 0.395 150 R C -0.399 175.949 176.300 0.081 0.000 1.096 150 R CA -0.262 55.869 56.100 0.052 0.000 1.071 150 R CB 0.309 30.643 30.300 0.057 0.000 1.348 150 R HN 0.049 nan 8.270 nan 0.000 0.600 151 N N 0.605 119.330 118.700 0.042 0.000 2.483 151 N HA 0.376 5.117 4.740 0.001 0.000 0.285 151 N C -0.700 174.721 175.510 -0.148 0.000 1.210 151 N CA -0.633 52.424 53.050 0.012 0.000 0.931 151 N CB 1.207 39.699 38.487 0.008 0.000 1.220 151 N HN 0.082 nan 8.380 nan 0.000 0.542 152 L N 1.988 122.968 121.223 -0.405 0.000 2.417 152 L HA 0.214 4.555 4.340 0.001 0.000 0.258 152 L C 1.419 178.102 176.870 -0.312 0.000 1.088 152 L CA -0.285 54.200 54.840 -0.593 0.000 0.975 152 L CB 0.479 41.802 42.059 -1.226 0.000 1.341 152 L HN 0.634 nan 8.230 nan 0.000 0.431 153 S N -0.218 115.392 115.700 -0.150 0.000 2.419 153 S HA -0.114 4.356 4.470 0.001 0.000 0.233 153 S C 1.781 176.339 174.600 -0.070 0.000 1.016 153 S CA 0.960 59.117 58.200 -0.072 0.000 0.974 153 S CB -0.171 63.002 63.200 -0.046 0.000 0.786 153 S HN 0.642 nan 8.310 nan 0.000 0.492 154 G N 0.437 109.179 108.800 -0.097 0.000 2.813 154 G HA2 0.079 4.040 3.960 0.001 0.000 0.209 154 G HA3 0.079 4.040 3.960 0.001 0.000 0.209 154 G C 0.565 175.422 174.900 -0.070 0.000 1.150 154 G CA -0.286 44.769 45.100 -0.076 0.000 0.785 154 G HN 0.366 nan 8.290 nan 0.000 0.535 155 Q N 0.641 120.378 119.800 -0.104 0.000 2.300 155 Q HA 0.482 4.822 4.340 0.001 0.000 0.280 155 Q C -0.111 175.909 176.000 0.034 0.000 1.033 155 Q CA 0.298 56.071 55.803 -0.050 0.000 0.903 155 Q CB 1.319 29.996 28.738 -0.101 0.000 1.195 155 Q HN 0.291 nan 8.270 nan 0.000 0.386 156 A N 2.164 125.015 122.820 0.052 0.000 2.587 156 A HA 0.732 5.053 4.320 0.001 0.000 0.293 156 A C -0.939 176.704 177.584 0.097 0.000 1.087 156 A CA -0.565 51.512 52.037 0.066 0.000 0.692 156 A CB 1.369 20.388 19.000 0.033 0.000 1.291 156 A HN 0.479 nan 8.150 nan 0.000 0.407 157 V N -1.886 118.100 119.914 0.118 0.000 2.960 157 V HA 0.954 5.074 4.120 0.001 0.000 0.315 157 V C -0.402 175.779 176.094 0.145 0.000 1.087 157 V CA -0.518 61.878 62.300 0.159 0.000 0.982 157 V CB 1.644 33.618 31.823 0.251 0.000 1.039 157 V HN 0.882 nan 8.190 nan 0.000 0.437 158 T N 2.666 117.309 114.554 0.147 0.000 2.812 158 T HA 0.598 4.949 4.350 0.001 0.000 0.282 158 T C -0.364 174.385 174.700 0.081 0.000 0.990 158 T CA -0.469 61.705 62.100 0.124 0.000 0.960 158 T CB 1.165 70.138 68.868 0.175 0.000 0.948 158 T HN 0.773 nan 8.240 nan 0.000 0.438 159 R N 2.480 123.013 120.500 0.055 0.000 2.402 159 R HA 0.592 4.933 4.340 0.001 0.000 0.290 159 R C -0.790 175.525 176.300 0.024 0.000 1.321 159 R CA -0.587 55.515 56.100 0.004 0.000 1.283 159 R CB 0.894 31.161 30.300 -0.054 0.000 1.111 159 R HN 0.522 nan 8.270 nan 0.000 0.578 160 V N -1.806 118.125 119.914 0.028 0.000 3.120 160 V HA 0.461 4.581 4.120 0.001 0.000 0.303 160 V C -0.078 176.033 176.094 0.029 0.000 1.238 160 V CA -1.121 61.201 62.300 0.036 0.000 1.008 160 V CB 2.014 33.868 31.823 0.053 0.000 1.064 160 V HN 0.118 nan 8.190 nan 0.000 0.434 161 V N 3.510 123.444 119.914 0.033 0.000 2.540 161 V HA 0.507 4.628 4.120 0.001 0.000 0.297 161 V C 1.705 177.817 176.094 0.030 0.000 1.024 161 V CA 1.986 64.305 62.300 0.032 0.000 1.105 161 V CB 0.118 31.962 31.823 0.035 0.000 0.938 161 V HN 2.076 nan 8.190 nan 0.000 0.482 162 G N 3.322 112.135 108.800 0.021 0.000 2.213 162 G HA2 -0.008 3.953 3.960 0.001 0.000 0.236 162 G HA3 -0.008 3.953 3.960 0.001 0.000 0.236 162 G C 1.000 175.877 174.900 -0.039 0.000 0.991 162 G CA 0.286 45.387 45.100 0.002 0.000 0.629 162 G HN 2.097 nan 8.290 nan 0.000 0.517 163 G N 0.220 109.008 108.800 -0.021 0.000 2.594 163 G HA2 -0.286 3.674 3.960 0.001 0.000 0.297 163 G HA3 -0.286 3.674 3.960 0.001 0.000 0.297 163 G C 1.201 176.053 174.900 -0.080 0.000 1.273 163 G CA 1.325 46.408 45.100 -0.029 0.000 0.974 163 G HN 1.107 nan 8.290 nan 0.000 0.552 164 M N 1.610 121.129 119.600 -0.135 0.000 2.557 164 M HA 0.009 4.490 4.480 0.001 0.000 0.259 164 M C 2.704 178.666 176.300 -0.563 0.000 1.086 164 M CA 1.679 56.778 55.300 -0.334 0.000 1.096 164 M CB -0.204 32.294 32.600 -0.170 0.000 1.424 164 M HN 0.709 nan 8.290 nan 0.000 0.488 165 S N -0.375 115.042 115.700 -0.471 0.000 2.547 165 S HA -0.076 4.394 4.470 0.001 0.000 0.235 165 S C 1.722 176.177 174.600 -0.241 0.000 0.980 165 S CA 1.236 59.045 58.200 -0.652 0.000 0.941 165 S CB -0.980 61.863 63.200 -0.595 0.000 0.763 165 S HN 0.584 nan 8.310 nan 0.000 0.532 166 T N -0.659 113.761 114.554 -0.223 0.000 3.085 166 T HA -0.000 4.350 4.350 0.001 0.000 0.263 166 T C 1.490 176.014 174.700 -0.293 0.000 1.127 166 T CA 0.942 62.942 62.100 -0.165 0.000 1.103 166 T CB -0.653 68.213 68.868 -0.003 0.000 0.921 166 T HN 0.904 nan 8.240 nan 0.000 0.510 167 H N -1.871 117.131 119.070 -0.113 0.000 3.622 167 H HA 0.186 4.743 4.556 0.001 0.000 0.259 167 H C 0.741 176.270 175.328 0.335 0.000 1.145 167 H CA -0.901 55.215 56.048 0.114 0.000 1.178 167 H CB -0.521 29.323 29.762 0.137 0.000 1.542 167 H HN 0.481 nan 8.280 nan 0.000 0.586 168 W N 3.006 124.202 121.300 -0.174 0.000 2.073 168 W HA 0.172 4.833 4.660 0.001 0.000 0.358 168 W C 0.015 176.629 176.519 0.158 0.000 1.321 168 W CA 0.165 57.546 57.345 0.059 0.000 1.317 168 W CB -0.379 29.056 29.460 -0.040 0.000 1.226 168 W HN -0.160 nan 8.180 nan 0.000 0.622 169 T N 0.928 115.462 114.554 -0.034 0.000 3.113 169 T HA 0.012 4.363 4.350 0.001 0.000 0.256 169 T C 1.035 175.310 174.700 -0.708 0.000 1.131 169 T CA 1.054 62.958 62.100 -0.327 0.000 1.074 169 T CB -0.551 68.287 68.868 -0.050 0.000 0.944 169 T HN 0.654 nan 8.240 nan 0.000 0.516 170 C N 1.056 119.552 119.300 -1.339 0.000 4.465 170 C HA -0.117 4.344 4.460 0.001 0.000 0.274 170 C C 1.133 175.645 174.990 -0.795 0.000 1.337 170 C CA -0.734 57.258 59.018 -1.710 0.000 1.822 170 C CB -2.713 24.524 27.740 -0.838 0.000 1.357 170 C HN 0.761 nan 8.230 nan 0.000 0.753 171 A N 1.135 123.681 122.820 -0.457 0.000 2.451 171 A HA 0.546 4.867 4.320 0.001 0.000 0.266 171 A C 0.801 178.306 177.584 -0.131 0.000 1.119 171 A CA 1.167 53.096 52.037 -0.180 0.000 0.786 171 A CB 0.166 19.135 19.000 -0.051 0.000 1.061 171 A HN 1.431 nan 8.150 nan 0.000 0.503 172 T N 1.500 115.994 114.554 -0.100 0.000 3.504 172 T HA 0.514 4.865 4.350 0.001 0.000 0.286 172 T C -2.759 171.898 174.700 -0.072 0.000 1.530 172 T CA -1.500 60.573 62.100 -0.045 0.000 1.652 172 T CB 0.545 69.415 68.868 0.004 0.000 0.895 172 T HN 0.429 nan 8.240 nan 0.000 0.674 173 P HA 0.383 nan 4.420 nan 0.000 0.277 173 P C -0.165 176.994 177.300 -0.236 0.000 1.240 173 P CA -0.590 62.413 63.100 -0.163 0.000 0.798 173 P CB 1.022 32.595 31.700 -0.213 0.000 0.979 174 R N 0.987 121.266 120.500 -0.369 0.000 2.582 174 R HA 0.380 4.721 4.340 0.001 0.000 0.271 174 R C 0.057 176.230 176.300 -0.212 0.000 1.078 174 R CA -0.441 55.236 56.100 -0.704 0.000 1.127 174 R CB 0.176 29.916 30.300 -0.935 0.000 1.038 174 R HN 0.371 nan 8.270 nan 0.000 0.500 175 F N 2.051 121.778 119.950 -0.371 0.000 2.412 175 F HA 0.041 4.568 4.527 0.001 0.000 0.348 175 F C 0.994 176.618 175.800 -0.294 0.000 1.102 175 F CA -1.491 56.320 58.000 -0.315 0.000 1.196 175 F CB 0.270 39.077 39.000 -0.321 0.000 1.144 175 F HN 0.544 nan 8.300 nan 0.000 0.541 176 D N 2.449 122.782 120.400 -0.111 0.000 2.398 176 D HA 0.105 4.746 4.640 0.001 0.000 0.247 176 D C 1.073 177.286 176.300 -0.144 0.000 1.227 176 D CA -0.411 53.518 54.000 -0.119 0.000 0.980 176 D CB 0.551 41.293 40.800 -0.096 0.000 1.106 176 D HN 0.472 nan 8.370 nan 0.000 0.493 177 R N -0.194 120.244 120.500 -0.103 0.000 2.103 177 R HA -0.183 4.157 4.340 0.001 0.000 0.242 177 R C 1.997 178.236 176.300 -0.101 0.000 1.142 177 R CA 1.601 57.644 56.100 -0.094 0.000 0.960 177 R CB -0.240 30.038 30.300 -0.036 0.000 0.858 177 R HN 0.640 nan 8.270 nan 0.000 0.439 178 E N 0.503 120.641 120.200 -0.103 0.000 2.160 178 E HA -0.218 4.133 4.350 0.001 0.000 0.195 178 E C 1.657 178.150 176.600 -0.179 0.000 0.991 178 E CA 1.202 57.547 56.400 -0.092 0.000 0.810 178 E CB 0.131 29.815 29.700 -0.027 0.000 0.742 178 E HN 0.464 nan 8.360 nan 0.000 0.466 179 Q N -0.546 119.056 119.800 -0.329 0.000 2.356 179 Q HA 0.105 4.445 4.340 0.001 0.000 0.205 179 Q C 0.511 176.406 176.000 -0.173 0.000 0.901 179 Q CA -0.050 55.494 55.803 -0.432 0.000 0.938 179 Q CB 0.657 28.840 28.738 -0.924 0.000 1.081 179 Q HN -0.071 nan 8.270 nan 0.000 0.517 180 R N 2.061 122.498 120.500 -0.104 0.000 2.514 180 R HA 0.323 4.664 4.340 0.001 0.000 0.301 180 R C -2.581 173.678 176.300 -0.069 0.000 0.962 180 R CA -2.086 53.949 56.100 -0.108 0.000 0.882 180 R CB 1.204 31.265 30.300 -0.399 0.000 1.143 180 R HN -0.111 nan 8.270 nan 0.000 0.452 181 P HA 0.083 nan 4.420 nan 0.000 0.274 181 P C -0.569 176.870 177.300 0.231 0.000 1.231 181 P CA -0.250 62.915 63.100 0.109 0.000 0.790 181 P CB 0.881 32.653 31.700 0.120 0.000 0.951 182 L N 2.602 123.932 121.223 0.178 0.000 2.416 182 L HA 0.134 4.475 4.340 0.001 0.000 0.272 182 L C 1.738 178.746 176.870 0.229 0.000 1.161 182 L CA -0.178 54.834 54.840 0.287 0.000 0.845 182 L CB 0.256 42.532 42.059 0.362 0.000 1.119 182 L HN 0.374 nan 8.230 nan 0.000 0.464 183 L N 3.561 124.978 121.223 0.324 0.000 2.515 183 L HA 0.201 4.541 4.340 0.001 0.000 0.223 183 L C -0.193 176.855 176.870 0.297 0.000 1.079 183 L CA 0.185 55.113 54.840 0.147 0.000 0.857 183 L CB 0.659 42.619 42.059 -0.166 0.000 1.050 183 L HN 0.327 nan 8.230 nan 0.000 0.476 184 V N 0.979 121.080 119.914 0.310 0.000 2.531 184 V HA 0.240 4.360 4.120 0.001 0.000 0.301 184 V C -0.422 175.779 176.094 0.178 0.000 1.034 184 V CA -1.007 61.414 62.300 0.202 0.000 0.865 184 V CB 1.806 33.694 31.823 0.108 0.000 0.995 184 V HN 0.182 nan 8.190 nan 0.000 0.424 185 K N 2.320 122.709 120.400 -0.018 0.000 2.118 185 K HA 0.501 4.821 4.320 0.001 0.000 0.267 185 K C -0.348 176.230 176.600 -0.036 0.000 0.991 185 K CA -0.557 55.686 56.287 -0.073 0.000 0.916 185 K CB 0.846 33.143 32.500 -0.339 0.000 1.041 185 K HN 0.619 nan 8.250 nan 0.000 0.455 186 D N 0.952 121.352 120.400 0.001 0.000 2.772 186 D HA -0.156 4.485 4.640 0.001 0.000 0.233 186 D C -0.887 175.421 176.300 0.014 0.000 1.143 186 D CA 1.379 55.381 54.000 0.003 0.000 0.700 186 D CB -0.658 40.130 40.800 -0.021 0.000 1.076 186 D HN 0.783 nan 8.370 nan 0.000 0.430 187 D N -1.247 119.174 120.400 0.035 0.000 2.634 187 D HA 0.354 4.994 4.640 0.001 0.000 0.236 187 D C 0.899 177.236 176.300 0.061 0.000 1.323 187 D CA 0.202 54.226 54.000 0.039 0.000 0.884 187 D CB 0.412 41.230 40.800 0.030 0.000 1.496 187 D HN 0.002 nan 8.370 nan 0.000 0.525 188 A N 2.324 125.180 122.820 0.061 0.000 1.940 188 A HA -0.179 4.142 4.320 0.001 0.000 0.219 188 A C 1.639 179.270 177.584 0.077 0.000 1.176 188 A CA 1.500 53.581 52.037 0.073 0.000 0.631 188 A CB -0.016 19.018 19.000 0.058 0.000 0.814 188 A HN 0.459 nan 8.150 nan 0.000 0.446 189 D N -0.050 120.386 120.400 0.060 0.000 2.117 189 D HA 0.000 4.641 4.640 0.001 0.000 0.198 189 D C 2.254 178.593 176.300 0.065 0.000 0.982 189 D CA 1.418 55.453 54.000 0.058 0.000 0.828 189 D CB -0.445 40.380 40.800 0.042 0.000 0.967 189 D HN 0.424 nan 8.370 nan 0.000 0.464 190 A N 0.912 123.768 122.820 0.059 0.000 1.902 190 A HA -0.214 4.107 4.320 0.001 0.000 0.217 190 A C 1.971 179.602 177.584 0.077 0.000 1.181 190 A CA 2.036 54.105 52.037 0.054 0.000 0.623 190 A CB -0.614 18.411 19.000 0.041 0.000 0.818 190 A HN 0.187 nan 8.150 nan 0.000 0.443 191 D N -0.306 120.163 120.400 0.116 0.000 2.097 191 D HA -0.156 4.485 4.640 0.001 0.000 0.195 191 D C 1.292 177.755 176.300 0.271 0.000 0.989 191 D CA 1.556 55.673 54.000 0.195 0.000 0.827 191 D CB -0.138 40.798 40.800 0.227 0.000 0.966 191 D HN 0.342 nan 8.370 nan 0.000 0.456 192 D N -0.053 120.469 120.400 0.203 0.000 2.104 192 D HA -0.154 4.487 4.640 0.001 0.000 0.194 192 D C 2.020 178.429 176.300 0.181 0.000 0.994 192 D CA 1.549 55.668 54.000 0.199 0.000 0.830 192 D CB -0.655 40.218 40.800 0.122 0.000 0.959 192 D HN 0.336 nan 8.370 nan 0.000 0.452 193 A N 0.622 123.510 122.820 0.114 0.000 1.902 193 A HA -0.222 4.099 4.320 0.001 0.000 0.217 193 A C 2.152 179.764 177.584 0.046 0.000 1.181 193 A CA 2.045 54.126 52.037 0.073 0.000 0.623 193 A CB -0.554 18.473 19.000 0.045 0.000 0.818 193 A HN 0.230 nan 8.150 nan 0.000 0.443 194 E N -1.078 119.132 120.200 0.016 0.000 2.047 194 E HA -0.187 4.163 4.350 0.001 0.000 0.191 194 E C 1.684 178.187 176.600 -0.162 0.000 0.987 194 E CA 1.429 57.766 56.400 -0.107 0.000 0.799 194 E CB -0.440 29.154 29.700 -0.178 0.000 0.752 194 E HN 0.711 nan 8.360 nan 0.000 0.449 195 W N 0.850 122.111 121.300 -0.065 0.000 2.363 195 W HA -0.097 4.563 4.660 0.001 0.000 0.296 195 W C 2.129 178.638 176.519 -0.017 0.000 1.212 195 W CA 1.337 58.607 57.345 -0.125 0.000 1.260 195 W CB -0.391 29.037 29.460 -0.053 0.000 1.131 195 W HN 0.254 nan 8.180 nan 0.000 0.530 196 D N -0.107 120.455 120.400 0.270 0.000 2.117 196 D HA -0.204 4.436 4.640 0.001 0.000 0.197 196 D C 2.142 178.510 176.300 0.114 0.000 0.987 196 D CA 1.448 55.576 54.000 0.213 0.000 0.829 196 D CB -0.184 40.699 40.800 0.140 0.000 0.961 196 D HN -0.035 nan 8.370 nan 0.000 0.460 197 R N -0.435 120.083 120.500 0.031 0.000 2.073 197 R HA -0.091 4.250 4.340 0.001 0.000 0.234 197 R C 2.476 178.732 176.300 -0.074 0.000 1.134 197 R CA 1.197 57.279 56.100 -0.031 0.000 0.952 197 R CB -0.282 29.978 30.300 -0.068 0.000 0.850 197 R HN 0.254 nan 8.270 nan 0.000 0.433 198 L N -0.765 120.377 121.223 -0.137 0.000 2.027 198 L HA -0.194 4.147 4.340 0.001 0.000 0.206 198 L C 2.353 179.149 176.870 -0.124 0.000 1.074 198 L CA 1.247 55.951 54.840 -0.227 0.000 0.745 198 L CB -0.664 41.140 42.059 -0.424 0.000 0.898 198 L HN 0.203 nan 8.230 nan 0.000 0.433 199 Y N 0.386 120.681 120.300 -0.009 0.000 2.165 199 Y HA -0.255 4.295 4.550 0.001 0.000 0.286 199 Y C 2.890 178.769 175.900 -0.036 0.000 1.155 199 Y CA 1.611 59.718 58.100 0.010 0.000 1.164 199 Y CB -1.192 37.310 38.460 0.069 0.000 0.978 199 Y HN 0.145 nan 8.280 nan 0.000 0.513 200 T N -0.377 114.252 114.554 0.126 0.000 2.746 200 T HA -0.218 4.133 4.350 0.001 0.000 0.267 200 T C 1.982 176.655 174.700 -0.045 0.000 1.039 200 T CA 1.725 63.850 62.100 0.042 0.000 1.142 200 T CB -0.173 68.711 68.868 0.027 0.000 0.866 200 T HN 0.239 nan 8.240 nan 0.000 0.444 201 K N 0.788 121.103 120.400 -0.142 0.000 2.057 201 K HA 0.029 4.350 4.320 0.001 0.000 0.206 201 K C 2.511 178.810 176.600 -0.503 0.000 1.050 201 K CA 1.057 57.139 56.287 -0.340 0.000 0.935 201 K CB -0.288 31.958 32.500 -0.424 0.000 0.715 201 K HN 0.259 nan 8.250 nan 0.000 0.439 202 A N 1.415 124.040 122.820 -0.326 0.000 1.883 202 A HA -0.224 4.097 4.320 0.001 0.000 0.217 202 A C 1.842 179.433 177.584 0.013 0.000 1.186 202 A CA 1.885 53.798 52.037 -0.206 0.000 0.624 202 A CB -0.598 18.400 19.000 -0.003 0.000 0.822 202 A HN 0.471 nan 8.150 nan 0.000 0.444 203 E N 0.189 120.442 120.200 0.088 0.000 2.160 203 E HA -0.181 4.169 4.350 0.001 0.000 0.195 203 E C 2.345 179.032 176.600 0.144 0.000 0.991 203 E CA 1.502 57.994 56.400 0.154 0.000 0.810 203 E CB -0.185 29.576 29.700 0.101 0.000 0.742 203 E HN 0.839 nan 8.360 nan 0.000 0.466 204 S N -0.022 115.718 115.700 0.066 0.000 2.371 204 S HA -0.143 4.328 4.470 0.001 0.000 0.224 204 S C 1.911 176.653 174.600 0.236 0.000 1.029 204 S CA 0.532 58.799 58.200 0.110 0.000 0.978 204 S CB -0.415 62.824 63.200 0.064 0.000 0.833 204 S HN 0.192 nan 8.310 nan 0.000 0.466 205 Y N 0.811 121.119 120.300 0.013 0.000 2.181 205 Y HA 0.100 4.650 4.550 0.001 0.000 0.288 205 Y C 2.058 177.981 175.900 0.038 0.000 1.146 205 Y CA -0.058 58.013 58.100 -0.048 0.000 1.164 205 Y CB -1.119 37.226 38.460 -0.192 0.000 0.982 205 Y HN 0.292 nan 8.280 nan 0.000 0.515 206 F N 0.164 120.266 119.950 0.253 0.000 2.710 206 F HA 0.022 4.550 4.527 0.001 0.000 0.298 206 F C 0.884 176.796 175.800 0.188 0.000 1.137 206 F CA 0.220 58.361 58.000 0.235 0.000 1.444 206 F CB -0.344 38.816 39.000 0.266 0.000 1.111 206 F HN 0.002 nan 8.300 nan 0.000 0.580 207 Q N 0.467 120.461 119.800 0.323 0.000 2.468 207 Q HA -0.192 4.149 4.340 0.001 0.000 0.289 207 Q C 0.056 176.150 176.000 0.157 0.000 1.299 207 Q CA 0.777 56.696 55.803 0.192 0.000 0.838 207 Q CB -2.671 26.159 28.738 0.153 0.000 1.195 207 Q HN 0.224 nan 8.270 nan 0.000 0.456 208 T N 0.024 114.688 114.554 0.183 0.000 2.902 208 T HA 0.413 4.763 4.350 0.001 0.000 0.301 208 T C 0.794 175.532 174.700 0.064 0.000 1.012 208 T CA 0.630 62.799 62.100 0.115 0.000 1.151 208 T CB 1.220 70.166 68.868 0.129 0.000 0.946 208 T HN 0.488 nan 8.240 nan 0.000 0.542 209 G N 0.732 109.553 108.800 0.036 0.000 2.695 209 G HA2 0.556 4.517 3.960 0.001 0.000 0.290 209 G HA3 0.556 4.517 3.960 0.001 0.000 0.290 209 G C 0.072 174.985 174.900 0.023 0.000 1.410 209 G CA -0.582 44.529 45.100 0.019 0.000 0.844 209 G HN 0.625 nan 8.290 nan 0.000 0.478 210 T N -2.383 112.184 114.554 0.022 0.000 3.339 210 T HA 0.268 4.618 4.350 0.001 0.000 0.292 210 T C 0.089 174.807 174.700 0.031 0.000 1.012 210 T CA 0.447 62.569 62.100 0.037 0.000 0.937 210 T CB 0.368 69.262 68.868 0.044 0.000 1.164 210 T HN 0.478 nan 8.240 nan 0.000 0.509 211 D N 0.205 120.604 120.400 -0.002 0.000 2.500 211 D HA 0.073 4.714 4.640 0.001 0.000 0.217 211 D C 1.354 177.590 176.300 -0.106 0.000 1.159 211 D CA -0.071 53.906 54.000 -0.039 0.000 0.828 211 D CB -0.037 40.734 40.800 -0.050 0.000 1.039 211 D HN 0.269 nan 8.370 nan 0.000 0.512 212 Q N -0.423 119.312 119.800 -0.109 0.000 2.369 212 Q HA 0.166 4.506 4.340 0.001 0.000 0.206 212 Q C 0.310 175.928 176.000 -0.636 0.000 0.963 212 Q CA 0.888 56.488 55.803 -0.339 0.000 0.894 212 Q CB -0.223 28.290 28.738 -0.375 0.000 0.965 212 Q HN 0.298 nan 8.270 nan 0.000 0.475 213 F N -0.175 119.612 119.950 -0.270 0.000 2.698 213 F HA 0.236 4.764 4.527 0.001 0.000 0.304 213 F C 1.289 176.886 175.800 -0.337 0.000 1.108 213 F CA -0.575 57.221 58.000 -0.339 0.000 1.263 213 F CB 0.337 39.065 39.000 -0.454 0.000 1.013 213 F HN -0.012 nan 8.300 nan 0.000 0.532 214 K N 0.551 120.868 120.400 -0.138 0.000 2.152 214 K HA -0.144 4.176 4.320 0.001 0.000 0.206 214 K C 0.805 177.339 176.600 -0.111 0.000 1.048 214 K CA 1.819 58.074 56.287 -0.054 0.000 0.933 214 K CB -0.192 32.261 32.500 -0.077 0.000 0.721 214 K HN 0.322 nan 8.250 nan 0.000 0.447 215 E N 1.499 121.514 120.200 -0.308 0.000 2.499 215 E HA 0.061 4.411 4.350 0.001 0.000 0.199 215 E C -0.694 175.789 176.600 -0.194 0.000 1.016 215 E CA -0.370 55.641 56.400 -0.648 0.000 0.933 215 E CB 0.923 30.074 29.700 -0.914 0.000 1.050 215 E HN 0.248 nan 8.360 nan 0.000 0.462 216 S N 0.538 116.256 115.700 0.030 0.000 2.531 216 S HA 0.137 4.608 4.470 0.001 0.000 0.279 216 S C 1.242 175.943 174.600 0.170 0.000 1.305 216 S CA -0.400 57.873 58.200 0.121 0.000 1.058 216 S CB 0.500 63.819 63.200 0.199 0.000 0.899 216 S HN 0.219 nan 8.310 nan 0.000 0.493 217 I N 4.721 125.256 120.570 -0.057 0.000 2.202 217 I HA -0.136 4.034 4.170 0.001 0.000 0.242 217 I C 2.730 178.683 176.117 -0.273 0.000 1.091 217 I CA 1.085 62.089 61.300 -0.495 0.000 1.368 217 I CB -0.228 37.279 38.000 -0.823 0.000 1.058 217 I HN 0.708 nan 8.210 nan 0.000 0.410 218 R N -0.463 119.968 120.500 -0.116 0.000 2.081 218 R HA -0.232 4.108 4.340 0.001 0.000 0.235 218 R C 2.362 178.696 176.300 0.057 0.000 1.131 218 R CA 1.722 57.804 56.100 -0.029 0.000 0.960 218 R CB -0.643 29.652 30.300 -0.008 0.000 0.856 218 R HN 0.422 nan 8.270 nan 0.000 0.436 219 H N 1.125 120.217 119.070 0.036 0.000 2.290 219 H HA -0.063 4.494 4.556 0.001 0.000 0.298 219 H C 1.773 177.172 175.328 0.119 0.000 1.087 219 H CA 1.951 58.042 56.048 0.072 0.000 1.291 219 H CB -0.095 29.740 29.762 0.121 0.000 1.369 219 H HN 0.117 nan 8.280 nan 0.000 0.492 220 N N 0.035 118.834 118.700 0.166 0.000 2.270 220 N HA -0.117 4.623 4.740 0.001 0.000 0.181 220 N C 2.014 177.656 175.510 0.221 0.000 1.016 220 N CA 0.911 54.089 53.050 0.214 0.000 0.870 220 N CB -0.183 38.632 38.487 0.546 0.000 0.979 220 N HN 0.308 nan 8.380 nan 0.000 0.431 221 L N 1.279 122.651 121.223 0.248 0.000 2.012 221 L HA -0.124 4.216 4.340 0.001 0.000 0.210 221 L C 2.093 179.016 176.870 0.088 0.000 1.073 221 L CA 1.416 56.402 54.840 0.242 0.000 0.748 221 L CB -0.568 41.597 42.059 0.176 0.000 0.891 221 L HN -0.124 nan 8.230 nan 0.000 0.431 222 V N -0.919 119.003 119.914 0.013 0.000 2.283 222 V HA -0.223 3.898 4.120 0.001 0.000 0.243 222 V C 2.418 178.443 176.094 -0.115 0.000 1.039 222 V CA 1.488 63.764 62.300 -0.041 0.000 1.016 222 V CB -0.623 31.158 31.823 -0.070 0.000 0.650 222 V HN 0.487 nan 8.190 nan 0.000 0.449 223 L N 1.102 122.218 121.223 -0.179 0.000 1.990 223 L HA -0.207 4.134 4.340 0.001 0.000 0.213 223 L C 2.202 179.004 176.870 -0.113 0.000 1.072 223 L CA 2.169 56.897 54.840 -0.186 0.000 0.755 223 L CB -1.005 40.906 42.059 -0.248 0.000 0.889 223 L HN 0.326 nan 8.230 nan 0.000 0.432 224 N N -0.363 118.317 118.700 -0.033 0.000 2.188 224 N HA -0.187 4.554 4.740 0.001 0.000 0.184 224 N C 1.833 177.321 175.510 -0.037 0.000 1.018 224 N CA 1.163 54.209 53.050 -0.006 0.000 0.858 224 N CB -0.312 38.196 38.487 0.036 0.000 0.989 224 N HN 0.262 nan 8.380 nan 0.000 0.426 225 K N 1.533 121.910 120.400 -0.038 0.000 2.002 225 K HA 0.042 4.362 4.320 0.001 0.000 0.209 225 K C 1.972 178.520 176.600 -0.087 0.000 1.048 225 K CA 1.002 57.264 56.287 -0.042 0.000 0.930 225 K CB -0.604 31.890 32.500 -0.009 0.000 0.714 225 K HN 0.127 nan 8.250 nan 0.000 0.438 226 L N 0.089 121.190 121.223 -0.204 0.000 2.083 226 L HA -0.169 4.172 4.340 0.001 0.000 0.209 226 L C 2.260 178.920 176.870 -0.350 0.000 1.083 226 L CA 1.705 56.298 54.840 -0.413 0.000 0.752 226 L CB -0.791 40.614 42.059 -1.089 0.000 0.899 226 L HN 0.249 nan 8.230 nan 0.000 0.433 227 T N -0.816 113.585 114.554 -0.254 0.000 2.720 227 T HA -0.270 4.081 4.350 0.001 0.000 0.268 227 T C 1.788 176.532 174.700 0.074 0.000 1.037 227 T CA 1.801 63.920 62.100 0.032 0.000 1.144 227 T CB -0.122 68.781 68.868 0.058 0.000 0.864 227 T HN 0.411 nan 8.240 nan 0.000 0.444 228 E N 0.559 120.766 120.200 0.011 0.000 2.047 228 E HA -0.151 4.199 4.350 0.001 0.000 0.191 228 E C 2.178 178.773 176.600 -0.009 0.000 0.987 228 E CA 0.856 57.259 56.400 0.005 0.000 0.799 228 E CB 0.057 29.744 29.700 -0.022 0.000 0.752 228 E HN 0.366 nan 8.360 nan 0.000 0.449 229 E N -0.331 119.848 120.200 -0.035 0.000 2.153 229 E HA -0.175 4.176 4.350 0.001 0.000 0.194 229 E C 0.865 177.308 176.600 -0.262 0.000 0.988 229 E CA 0.999 57.305 56.400 -0.156 0.000 0.811 229 E CB -0.009 29.574 29.700 -0.196 0.000 0.746 229 E HN 0.484 nan 8.360 nan 0.000 0.466 230 Y N 0.400 120.733 120.300 0.055 0.000 2.681 230 Y HA 0.185 4.736 4.550 0.001 0.000 0.267 230 Y C 0.557 176.521 175.900 0.107 0.000 1.166 230 Y CA -0.451 57.722 58.100 0.122 0.000 1.209 230 Y CB 0.303 38.928 38.460 0.274 0.000 1.161 230 Y HN -0.238 nan 8.280 nan 0.000 0.534 231 K N 0.655 121.149 120.400 0.157 0.000 2.491 231 K HA 0.163 4.483 4.320 0.001 0.000 0.279 231 K C 1.311 177.973 176.600 0.102 0.000 1.026 231 K CA 1.361 57.720 56.287 0.120 0.000 1.070 231 K CB -0.085 32.453 32.500 0.063 0.000 0.887 231 K HN 0.590 nan 8.250 nan 0.000 0.481 232 G N 2.955 111.816 108.800 0.102 0.000 2.184 232 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 232 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 232 G C 0.573 175.529 174.900 0.093 0.000 0.975 232 G CA 0.825 45.974 45.100 0.081 0.000 0.642 232 G HN 0.740 nan 8.290 nan 0.000 0.536 233 Q N -1.449 118.433 119.800 0.137 0.000 2.586 233 Q HA 0.272 4.612 4.340 0.001 0.000 0.243 233 Q C 1.146 177.233 176.000 0.145 0.000 0.846 233 Q CA 0.162 56.056 55.803 0.151 0.000 0.959 233 Q CB 0.931 29.790 28.738 0.202 0.000 1.227 233 Q HN 0.485 nan 8.270 nan 0.000 0.611 234 R N 0.538 121.134 120.500 0.161 0.000 2.740 234 R HA 0.398 4.739 4.340 0.001 0.000 0.273 234 R C -1.596 174.726 176.300 0.037 0.000 0.998 234 R CA -0.726 55.377 56.100 0.004 0.000 0.900 234 R CB 1.714 31.814 30.300 -0.333 0.000 1.223 234 R HN -0.033 nan 8.270 nan 0.000 0.466 235 D N 1.411 121.765 120.400 -0.076 0.000 2.163 235 D HA 0.383 5.023 4.640 0.001 0.000 0.248 235 D C -0.782 175.372 176.300 -0.243 0.000 1.035 235 D CA 0.038 54.030 54.000 -0.013 0.000 0.872 235 D CB 1.286 42.089 40.800 0.004 0.000 1.183 235 D HN 0.147 nan 8.370 nan 0.000 0.445 236 F N 0.887 120.841 119.950 0.006 0.000 2.522 236 F HA 0.370 4.897 4.527 0.001 0.000 0.324 236 F C 0.693 176.507 175.800 0.023 0.000 1.077 236 F CA -0.602 57.395 58.000 -0.005 0.000 0.944 236 F CB 1.794 40.785 39.000 -0.014 0.000 1.175 236 F HN 0.207 nan 8.300 nan 0.000 0.468 237 Q N 0.303 120.211 119.800 0.180 0.000 2.707 237 Q HA 0.361 4.702 4.340 0.001 0.000 0.307 237 Q C -1.552 174.559 176.000 0.184 0.000 0.934 237 Q CA -1.295 54.602 55.803 0.156 0.000 0.753 237 Q CB 1.762 30.559 28.738 0.099 0.000 1.478 237 Q HN 0.618 nan 8.270 nan 0.000 0.458 238 Q N 0.878 120.806 119.800 0.214 0.000 2.352 238 Q HA 0.250 4.591 4.340 0.001 0.000 0.260 238 Q C -0.486 175.581 176.000 0.112 0.000 0.976 238 Q CA -0.265 55.674 55.803 0.228 0.000 0.881 238 Q CB 0.549 29.380 28.738 0.155 0.000 1.235 238 Q HN 0.571 nan 8.270 nan 0.000 0.419 239 I N 6.607 127.223 120.570 0.076 0.000 2.821 239 I HA -0.089 4.082 4.170 0.001 0.000 0.294 239 I C -1.962 174.175 176.117 0.033 0.000 1.210 239 I CA -1.187 60.135 61.300 0.037 0.000 1.430 239 I CB 0.035 38.028 38.000 -0.013 0.000 1.356 239 I HN 0.450 nan 8.210 nan 0.000 0.563 240 P HA 0.252 nan 4.420 nan 0.000 0.271 240 P C -0.882 176.415 177.300 -0.004 0.000 1.226 240 P CA 0.090 63.197 63.100 0.011 0.000 0.765 240 P CB 0.513 32.208 31.700 -0.009 0.000 0.835 241 L N 2.315 123.547 121.223 0.014 0.000 2.365 241 L HA 0.642 4.982 4.340 0.001 0.000 0.273 241 L C 0.312 177.182 176.870 -0.000 0.000 1.000 241 L CA -1.184 53.662 54.840 0.010 0.000 0.819 241 L CB 2.119 44.253 42.059 0.125 0.000 1.284 241 L HN 0.249 nan 8.230 nan 0.000 0.418 242 A N 3.132 125.912 122.820 -0.066 0.000 2.539 242 A HA 0.768 5.089 4.320 0.001 0.000 0.306 242 A C 0.006 177.621 177.584 0.052 0.000 1.392 242 A CA 0.120 52.160 52.037 0.006 0.000 1.060 242 A CB -0.293 18.662 19.000 -0.075 0.000 1.134 242 A HN 0.822 nan 8.150 nan 0.000 0.542 243 A N 2.018 124.840 122.820 0.003 0.000 2.586 243 A HA 0.670 4.991 4.320 0.001 0.000 0.296 243 A C -0.533 176.941 177.584 -0.184 0.000 1.040 243 A CA -0.462 51.473 52.037 -0.169 0.000 0.701 243 A CB 0.545 19.278 19.000 -0.444 0.000 1.277 243 A HN 0.706 nan 8.150 nan 0.000 0.413 244 T N 1.679 116.092 114.554 -0.234 0.000 2.847 244 T HA 0.467 4.818 4.350 0.001 0.000 0.291 244 T C 0.042 174.589 174.700 -0.255 0.000 0.998 244 T CA -0.414 61.575 62.100 -0.184 0.000 0.967 244 T CB 1.089 69.907 68.868 -0.084 0.000 0.954 244 T HN 0.747 nan 8.240 nan 0.000 0.441 245 R N 2.421 122.751 120.500 -0.284 0.000 2.489 245 R HA 0.175 4.516 4.340 0.001 0.000 0.287 245 R C 0.806 177.018 176.300 -0.146 0.000 1.053 245 R CA -0.124 55.804 56.100 -0.287 0.000 1.036 245 R CB 0.376 30.470 30.300 -0.343 0.000 0.966 245 R HN 0.448 nan 8.270 nan 0.000 0.432 246 R N 1.192 121.656 120.500 -0.060 0.000 2.344 246 R HA 0.131 4.472 4.340 0.001 0.000 0.209 246 R C 0.031 176.315 176.300 -0.025 0.000 0.886 246 R CA 0.514 56.607 56.100 -0.012 0.000 1.040 246 R CB 0.617 30.951 30.300 0.055 0.000 1.114 246 R HN 0.763 nan 8.270 nan 0.000 0.547 247 S N -1.349 114.339 115.700 -0.020 0.000 2.615 247 S HA 0.327 4.797 4.470 0.001 0.000 0.268 247 S C -2.676 171.891 174.600 -0.056 0.000 1.146 247 S CA -0.999 57.184 58.200 -0.028 0.000 0.818 247 S CB 2.118 65.323 63.200 0.008 0.000 1.111 247 S HN -0.286 nan 8.310 nan 0.000 0.465 248 P HA -0.037 nan 4.420 nan 0.000 0.220 248 P C 1.019 178.289 177.300 -0.050 0.000 1.144 248 P CA 2.052 65.111 63.100 -0.069 0.000 0.800 248 P CB -0.113 31.566 31.700 -0.036 0.000 0.772 249 T N -7.256 107.300 114.554 0.004 0.000 3.091 249 T HA 0.279 4.629 4.350 0.001 0.000 0.277 249 T C -0.207 174.548 174.700 0.091 0.000 0.996 249 T CA -0.340 61.783 62.100 0.040 0.000 0.897 249 T CB -0.471 68.441 68.868 0.073 0.000 1.109 249 T HN -0.130 nan 8.240 nan 0.000 0.534 250 F N 1.625 121.513 119.950 -0.104 0.000 2.557 250 F HA 0.664 5.192 4.527 0.001 0.000 0.316 250 F C -1.501 174.165 175.800 -0.222 0.000 1.141 250 F CA -1.140 56.793 58.000 -0.111 0.000 0.922 250 F CB 2.016 40.968 39.000 -0.079 0.000 1.194 250 F HN -0.124 nan 8.300 nan 0.000 0.443 251 V N 5.294 124.797 119.914 -0.685 0.000 2.384 251 V HA 0.264 4.384 4.120 0.001 0.000 0.287 251 V C -0.331 175.187 176.094 -0.959 0.000 1.020 251 V CA -0.823 60.998 62.300 -0.797 0.000 0.850 251 V CB 1.578 32.728 31.823 -1.122 0.000 0.987 251 V HN 0.724 nan 8.190 nan 0.000 0.436 252 E N 4.572 124.499 120.200 -0.455 0.000 2.070 252 E HA 0.146 4.497 4.350 0.001 0.000 0.282 252 E C -1.077 175.322 176.600 -0.335 0.000 1.104 252 E CA -0.513 55.764 56.400 -0.205 0.000 0.876 252 E CB 0.449 30.196 29.700 0.078 0.000 1.055 252 E HN 0.625 nan 8.360 nan 0.000 0.401 253 W N 2.956 124.159 121.300 -0.162 0.000 2.238 253 W HA 0.148 4.808 4.660 0.001 0.000 0.321 253 W C 0.627 177.164 176.519 0.029 0.000 1.293 253 W CA -0.530 56.688 57.345 -0.213 0.000 1.204 253 W CB 1.011 30.088 29.460 -0.639 0.000 1.167 253 W HN 0.332 nan 8.180 nan 0.000 0.553 254 S N 1.588 117.500 115.700 0.353 0.000 2.624 254 S HA 0.619 5.089 4.470 0.001 0.000 0.263 254 S C 0.099 175.138 174.600 0.731 0.000 1.287 254 S CA -0.562 57.914 58.200 0.460 0.000 0.990 254 S CB 1.093 64.566 63.200 0.456 0.000 0.950 254 S HN 0.507 nan 8.310 nan 0.000 0.561 255 S N -0.444 115.633 115.700 0.628 0.000 2.703 255 S HA 0.681 5.151 4.470 0.001 0.000 0.273 255 S C 0.762 175.565 174.600 0.338 0.000 1.178 255 S CA -0.350 58.147 58.200 0.496 0.000 0.838 255 S CB 0.534 63.947 63.200 0.357 0.000 1.178 255 S HN 0.726 nan 8.310 nan 0.000 0.494 256 A N 1.757 124.670 122.820 0.154 0.000 1.903 256 A HA -0.236 4.084 4.320 0.001 0.000 0.219 256 A C 2.028 179.663 177.584 0.084 0.000 1.191 256 A CA 2.337 54.421 52.037 0.080 0.000 0.638 256 A CB -1.671 17.345 19.000 0.027 0.000 0.823 256 A HN 0.891 nan 8.150 nan 0.000 0.451 257 N N -0.684 118.072 118.700 0.092 0.000 2.094 257 N HA -0.182 4.558 4.740 0.001 0.000 0.191 257 N C 1.631 177.169 175.510 0.047 0.000 1.023 257 N CA 2.224 55.304 53.050 0.050 0.000 0.857 257 N CB -0.301 38.229 38.487 0.072 0.000 1.013 257 N HN 0.504 nan 8.380 nan 0.000 0.426 258 T N 0.672 115.304 114.554 0.131 0.000 2.720 258 T HA -0.088 4.263 4.350 0.001 0.000 0.268 258 T C 2.091 176.829 174.700 0.063 0.000 1.037 258 T CA 1.389 63.571 62.100 0.136 0.000 1.144 258 T CB -0.327 68.702 68.868 0.268 0.000 0.864 258 T HN 0.069 nan 8.240 nan 0.000 0.444 259 V N -0.447 119.490 119.914 0.038 0.000 2.307 259 V HA 0.117 4.238 4.120 0.001 0.000 0.245 259 V C 0.589 176.644 176.094 -0.065 0.000 1.045 259 V CA 1.054 63.297 62.300 -0.095 0.000 1.024 259 V CB -0.364 31.353 31.823 -0.175 0.000 0.651 259 V HN 0.487 nan 8.190 nan 0.000 0.449 260 F N 0.850 120.677 119.950 -0.205 0.000 2.605 260 F HA 0.397 4.925 4.527 0.001 0.000 0.320 260 F C 0.254 175.943 175.800 -0.185 0.000 1.159 260 F CA -1.600 56.252 58.000 -0.247 0.000 0.999 260 F CB 1.466 40.267 39.000 -0.332 0.000 1.258 260 F HN 0.161 nan 8.300 nan 0.000 0.464 261 D N 4.832 124.754 120.400 -0.796 0.000 2.371 261 D HA -0.054 4.586 4.640 0.001 0.000 0.221 261 D C 1.201 177.209 176.300 -0.487 0.000 0.986 261 D CA 1.089 54.788 54.000 -0.501 0.000 0.899 261 D CB -0.053 40.513 40.800 -0.391 0.000 0.902 261 D HN 0.700 nan 8.370 nan 0.000 0.530 262 L N -1.967 118.780 121.223 -0.794 0.000 4.696 262 L HA -0.239 4.101 4.340 0.001 0.000 0.425 262 L C -0.199 176.647 176.870 -0.041 0.000 1.115 262 L CA 0.490 55.192 54.840 -0.230 0.000 0.996 262 L CB -1.411 40.659 42.059 0.018 0.000 2.077 262 L HN 0.223 nan 8.230 nan 0.000 0.792 263 Q N 1.002 120.672 119.800 -0.216 0.000 2.314 263 Q HA 0.224 4.565 4.340 0.001 0.000 0.258 263 Q C 0.371 176.429 176.000 0.098 0.000 0.954 263 Q CA -0.105 55.658 55.803 -0.066 0.000 0.890 263 Q CB 0.663 29.325 28.738 -0.125 0.000 1.210 263 Q HN 0.125 nan 8.270 nan 0.000 0.410 264 N N 2.064 120.811 118.700 0.079 0.000 2.454 264 N HA 0.063 4.804 4.740 0.001 0.000 0.254 264 N C -0.312 175.251 175.510 0.089 0.000 1.228 264 N CA 0.434 53.530 53.050 0.077 0.000 0.900 264 N CB 0.561 39.003 38.487 -0.075 0.000 1.089 264 N HN 0.262 nan 8.380 nan 0.000 0.449 265 R N 1.449 122.030 120.500 0.136 0.000 2.795 265 R HA 0.505 4.845 4.340 0.001 0.000 0.275 265 R C -2.484 173.858 176.300 0.071 0.000 0.981 265 R CA -1.673 54.492 56.100 0.110 0.000 0.917 265 R CB 1.576 31.968 30.300 0.152 0.000 1.202 265 R HN 0.373 nan 8.270 nan 0.000 0.469 266 P HA 0.048 nan 4.420 nan 0.000 0.268 266 P C -1.297 176.052 177.300 0.081 0.000 1.205 266 P CA -0.150 63.026 63.100 0.127 0.000 0.771 266 P CB 0.560 32.393 31.700 0.221 0.000 0.858 267 N N -0.584 118.154 118.700 0.063 0.000 3.102 267 N HA 0.286 5.026 4.740 0.001 0.000 0.299 267 N C 0.621 176.147 175.510 0.027 0.000 1.482 267 N CA -0.769 52.300 53.050 0.033 0.000 0.785 267 N CB -0.544 37.949 38.487 0.010 0.000 1.680 267 N HN 0.046 nan 8.380 nan 0.000 0.594 268 T N -0.812 113.749 114.554 0.012 0.000 2.759 268 T HA -0.105 4.245 4.350 0.001 0.000 0.269 268 T C 0.336 175.038 174.700 0.003 0.000 1.042 268 T CA 1.605 63.709 62.100 0.006 0.000 1.140 268 T CB -0.425 68.442 68.868 -0.002 0.000 0.864 268 T HN 0.525 nan 8.240 nan 0.000 0.455 269 D N 1.114 121.511 120.400 -0.004 0.000 2.323 269 D HA 0.202 4.843 4.640 0.001 0.000 0.209 269 D C 0.823 177.124 176.300 0.001 0.000 0.973 269 D CA 0.400 54.394 54.000 -0.009 0.000 0.874 269 D CB 0.170 40.954 40.800 -0.027 0.000 0.930 269 D HN 0.405 nan 8.370 nan 0.000 0.521 270 A N 1.354 124.184 122.820 0.016 0.000 3.370 270 A HA 0.303 4.624 4.320 0.001 0.000 0.295 270 A C -1.990 175.640 177.584 0.076 0.000 1.030 270 A CA -0.819 51.242 52.037 0.040 0.000 0.883 270 A CB 0.953 19.974 19.000 0.035 0.000 1.191 270 A HN -0.163 nan 8.150 nan 0.000 0.507 271 P HA -0.062 nan 4.420 nan 0.000 0.233 271 P C 0.447 177.851 177.300 0.174 0.000 1.167 271 P CA 1.044 64.200 63.100 0.092 0.000 0.770 271 P CB 0.403 32.127 31.700 0.039 0.000 0.837 272 E N -0.344 119.970 120.200 0.190 0.000 2.548 272 E HA 0.131 4.481 4.350 0.001 0.000 0.206 272 E C 0.156 176.986 176.600 0.383 0.000 1.005 272 E CA -0.072 56.528 56.400 0.332 0.000 0.951 272 E CB 0.527 30.319 29.700 0.154 0.000 1.035 272 E HN 0.469 nan 8.360 nan 0.000 0.470 273 E N 1.111 121.449 120.200 0.231 0.000 2.232 273 E HA 0.458 4.809 4.350 0.001 0.000 0.265 273 E C -0.205 176.420 176.600 0.041 0.000 1.001 273 E CA -0.591 55.882 56.400 0.120 0.000 0.870 273 E CB 1.550 31.320 29.700 0.116 0.000 1.175 273 E HN -0.115 nan 8.360 nan 0.000 0.407 274 R N 1.683 122.181 120.500 -0.003 0.000 2.500 274 R HA 0.405 4.746 4.340 0.001 0.000 0.299 274 R C -1.651 174.723 176.300 0.123 0.000 1.038 274 R CA -0.524 55.541 56.100 -0.057 0.000 0.903 274 R CB 0.968 31.107 30.300 -0.268 0.000 1.177 274 R HN 0.405 nan 8.270 nan 0.000 0.455 275 F N 2.287 122.212 119.950 -0.042 0.000 2.604 275 F HA 0.436 4.963 4.527 0.001 0.000 0.316 275 F C -1.720 174.009 175.800 -0.117 0.000 1.136 275 F CA -0.679 57.294 58.000 -0.046 0.000 0.989 275 F CB 1.966 41.014 39.000 0.079 0.000 1.258 275 F HN 0.377 nan 8.300 nan 0.000 0.451 276 N N 4.617 122.650 118.700 -1.111 0.000 2.258 276 N HA 0.619 5.359 4.740 0.001 0.000 0.299 276 N C -2.035 172.402 175.510 -1.788 0.000 1.047 276 N CA -0.672 51.619 53.050 -1.266 0.000 0.814 276 N CB 2.401 40.338 38.487 -0.916 0.000 1.413 276 N HN 0.583 nan 8.380 nan 0.000 0.478 277 L N 2.260 122.655 121.223 -1.379 0.000 2.307 277 L HA 0.646 4.987 4.340 0.001 0.000 0.284 277 L C -1.671 174.611 176.870 -0.979 0.000 1.023 277 L CA -0.306 53.980 54.840 -0.924 0.000 0.810 277 L CB 0.222 42.095 42.059 -0.311 0.000 1.231 277 L HN 0.472 nan 8.230 nan 0.000 0.423 278 F N 6.300 125.997 119.950 -0.422 0.000 2.443 278 F HA 0.536 5.063 4.527 0.001 0.000 0.369 278 F C -2.121 173.633 175.800 -0.077 0.000 1.090 278 F CA -2.104 55.752 58.000 -0.240 0.000 1.129 278 F CB 0.662 39.502 39.000 -0.266 0.000 1.367 278 F HN 0.410 nan 8.300 nan 0.000 0.465 279 P HA 0.257 nan 4.420 nan 0.000 0.274 279 P C 0.105 177.465 177.300 0.100 0.000 1.256 279 P CA -0.075 63.068 63.100 0.073 0.000 0.795 279 P CB 0.894 32.615 31.700 0.035 0.000 1.038 280 A N -1.092 121.769 122.820 0.069 0.000 2.822 280 A HA -0.107 4.214 4.320 0.001 0.000 0.287 280 A C -0.035 177.578 177.584 0.048 0.000 1.479 280 A CA 0.771 52.840 52.037 0.053 0.000 0.779 280 A CB -2.433 16.596 19.000 0.048 0.000 1.022 280 A HN 0.250 nan 8.150 nan 0.000 0.532 281 V N -0.265 119.694 119.914 0.075 0.000 2.376 281 V HA 0.660 4.781 4.120 0.001 0.000 0.287 281 V C 0.626 176.727 176.094 0.011 0.000 1.015 281 V CA -0.356 61.985 62.300 0.068 0.000 0.834 281 V CB 1.369 33.317 31.823 0.209 0.000 1.001 281 V HN 1.466 nan 8.190 nan 0.000 0.428 282 A N 4.103 126.905 122.820 -0.030 0.000 2.404 282 A HA 0.439 4.760 4.320 0.001 0.000 0.273 282 A C 0.138 177.702 177.584 -0.032 0.000 1.144 282 A CA -0.107 51.905 52.037 -0.042 0.000 0.806 282 A CB -0.072 18.946 19.000 0.030 0.000 1.080 282 A HN 0.857 nan 8.150 nan 0.000 0.509 283 C N 2.890 122.149 119.300 -0.070 0.000 2.325 283 C HA 0.364 4.824 4.460 0.001 0.000 0.347 283 C C 1.360 176.321 174.990 -0.048 0.000 1.263 283 C CA -0.264 58.702 59.018 -0.086 0.000 1.806 283 C CB -0.271 27.413 27.740 -0.093 0.000 2.405 283 C HN 1.025 nan 8.230 nan 0.000 0.537 284 E N 1.173 121.362 120.200 -0.018 0.000 2.290 284 E HA 0.092 4.442 4.350 0.001 0.000 0.199 284 E C 0.309 176.887 176.600 -0.038 0.000 0.912 284 E CA 0.339 56.733 56.400 -0.009 0.000 0.924 284 E CB 0.474 30.190 29.700 0.028 0.000 0.901 284 E HN 0.757 nan 8.360 nan 0.000 0.487 285 R N 0.114 120.590 120.500 -0.040 0.000 2.634 285 R HA 0.408 4.749 4.340 0.001 0.000 0.263 285 R C -0.802 175.437 176.300 -0.102 0.000 1.060 285 R CA -0.826 55.220 56.100 -0.090 0.000 0.898 285 R CB 1.014 31.228 30.300 -0.143 0.000 1.253 285 R HN -0.084 nan 8.270 nan 0.000 0.461 286 V N -0.438 119.406 119.914 -0.116 0.000 2.539 286 V HA 0.627 4.748 4.120 0.001 0.000 0.292 286 V C 0.099 176.086 176.094 -0.179 0.000 1.045 286 V CA -0.827 61.376 62.300 -0.162 0.000 0.945 286 V CB 1.642 33.343 31.823 -0.204 0.000 0.993 286 V HN 0.513 nan 8.190 nan 0.000 0.464 287 V N 5.326 125.123 119.914 -0.195 0.000 2.407 287 V HA 0.477 4.598 4.120 0.001 0.000 0.278 287 V C 0.582 176.620 176.094 -0.094 0.000 1.037 287 V CA -0.484 61.718 62.300 -0.163 0.000 0.900 287 V CB 0.923 32.670 31.823 -0.128 0.000 0.983 287 V HN 0.949 nan 8.190 nan 0.000 0.459 288 R N 3.523 123.986 120.500 -0.061 0.000 2.459 288 R HA 0.349 4.690 4.340 0.001 0.000 0.281 288 R C 0.206 176.529 176.300 0.040 0.000 1.050 288 R CA -0.658 55.476 56.100 0.056 0.000 1.055 288 R CB 0.761 31.086 30.300 0.042 0.000 1.045 288 R HN 0.872 nan 8.270 nan 0.000 0.495 289 N N 1.230 119.972 118.700 0.071 0.000 2.381 289 N HA 0.019 4.760 4.740 0.001 0.000 0.254 289 N C 0.556 176.061 175.510 -0.007 0.000 1.264 289 N CA 0.046 53.108 53.050 0.020 0.000 0.942 289 N CB 0.476 38.974 38.487 0.017 0.000 1.190 289 N HN 0.573 nan 8.380 nan 0.000 0.495 290 A N 0.381 123.191 122.820 -0.017 0.000 1.978 290 A HA -0.075 4.245 4.320 0.001 0.000 0.220 290 A C 2.160 179.718 177.584 -0.043 0.000 1.170 290 A CA 1.040 53.060 52.037 -0.028 0.000 0.636 290 A CB -0.861 18.126 19.000 -0.022 0.000 0.810 290 A HN 0.649 nan 8.150 nan 0.000 0.448 291 L N -0.906 120.283 121.223 -0.057 0.000 2.552 291 L HA -0.019 4.322 4.340 0.001 0.000 0.227 291 L C 0.094 176.871 176.870 -0.155 0.000 1.146 291 L CA 0.018 54.806 54.840 -0.087 0.000 0.858 291 L CB -0.451 41.559 42.059 -0.082 0.000 0.969 291 L HN 0.389 nan 8.230 nan 0.000 0.451 292 N N 0.129 118.724 118.700 -0.175 0.000 2.738 292 N HA -0.179 4.561 4.740 0.001 0.000 0.249 292 N C 0.883 175.825 175.510 -0.948 0.000 1.047 292 N CA 1.024 53.868 53.050 -0.344 0.000 0.707 292 N CB -1.071 37.343 38.487 -0.122 0.000 0.937 292 N HN 0.548 nan 8.380 nan 0.000 0.545 293 S N -2.137 113.131 115.700 -0.719 0.000 2.604 293 S HA 0.236 4.707 4.470 0.001 0.000 0.235 293 S C 0.306 174.682 174.600 -0.374 0.000 1.043 293 S CA -0.193 57.636 58.200 -0.618 0.000 0.997 293 S CB 1.569 64.616 63.200 -0.255 0.000 0.956 293 S HN 0.386 nan 8.310 nan 0.000 0.535 294 E N 0.396 120.519 120.200 -0.128 0.000 2.352 294 E HA 0.449 4.799 4.350 0.001 0.000 0.280 294 E C -1.633 175.147 176.600 0.301 0.000 0.930 294 E CA -0.872 55.635 56.400 0.178 0.000 0.765 294 E CB 1.360 31.128 29.700 0.113 0.000 1.219 294 E HN 0.085 nan 8.360 nan 0.000 0.434 295 I N 3.543 124.250 120.570 0.228 0.000 2.428 295 I HA 0.126 4.297 4.170 0.001 0.000 0.289 295 I C 0.875 176.929 176.117 -0.105 0.000 1.019 295 I CA 0.092 61.349 61.300 -0.072 0.000 1.351 295 I CB 1.231 38.949 38.000 -0.469 0.000 1.412 295 I HN 0.700 nan 8.210 nan 0.000 0.513 296 E N 3.097 123.241 120.200 -0.093 0.000 2.389 296 E HA 0.093 4.443 4.350 0.001 0.000 0.199 296 E C 0.250 176.910 176.600 0.100 0.000 0.978 296 E CA 0.301 56.727 56.400 0.043 0.000 0.912 296 E CB 0.606 30.336 29.700 0.050 0.000 0.907 296 E HN 0.725 nan 8.360 nan 0.000 0.494 297 S N -0.446 115.247 115.700 -0.012 0.000 2.627 297 S HA 0.462 4.933 4.470 0.001 0.000 0.268 297 S C -1.711 172.936 174.600 0.079 0.000 1.130 297 S CA -1.065 57.233 58.200 0.163 0.000 0.819 297 S CB 1.077 64.406 63.200 0.215 0.000 1.100 297 S HN 0.006 nan 8.310 nan 0.000 0.465 298 L N 1.971 123.341 121.223 0.245 0.000 2.325 298 L HA 0.715 5.056 4.340 0.001 0.000 0.281 298 L C -1.408 175.573 176.870 0.186 0.000 1.004 298 L CA -0.103 54.833 54.840 0.160 0.000 0.823 298 L CB 1.089 43.247 42.059 0.164 0.000 1.236 298 L HN 0.914 nan 8.230 nan 0.000 0.415 299 H N 5.514 124.553 119.070 -0.052 0.000 2.562 299 H HA 0.622 5.179 4.556 0.001 0.000 0.314 299 H C -0.169 175.113 175.328 -0.077 0.000 1.079 299 H CA -0.043 55.977 56.048 -0.046 0.000 1.349 299 H CB 0.905 30.643 29.762 -0.040 0.000 1.432 299 H HN 0.692 nan 8.280 nan 0.000 0.479 300 I N -0.536 120.030 120.570 -0.007 0.000 3.002 300 I HA 0.488 4.658 4.170 0.001 0.000 0.310 300 I C -0.746 175.437 176.117 0.110 0.000 1.087 300 I CA -0.923 60.351 61.300 -0.045 0.000 1.017 300 I CB 2.999 40.827 38.000 -0.287 0.000 1.226 300 I HN 0.543 nan 8.210 nan 0.000 0.443 301 H N 2.608 121.676 119.070 -0.003 0.000 2.970 301 H HA 0.236 4.793 4.556 0.001 0.000 0.315 301 H C -1.578 173.792 175.328 0.070 0.000 0.992 301 H CA -0.658 55.412 56.048 0.036 0.000 1.363 301 H CB 1.425 31.204 29.762 0.028 0.000 1.532 301 H HN 0.779 nan 8.280 nan 0.000 0.514 302 D N 5.368 125.805 120.400 0.060 0.000 2.371 302 D HA 0.002 4.643 4.640 0.001 0.000 0.256 302 D C 1.146 177.300 176.300 -0.244 0.000 1.193 302 D CA -0.105 53.886 54.000 -0.015 0.000 0.881 302 D CB 1.049 41.946 40.800 0.162 0.000 1.143 302 D HN 0.672 nan 8.370 nan 0.000 0.473 303 L N 4.069 125.156 121.223 -0.226 0.000 2.376 303 L HA -0.092 4.248 4.340 0.001 0.000 0.219 303 L C 1.750 178.573 176.870 -0.078 0.000 1.133 303 L CA 0.150 54.855 54.840 -0.224 0.000 0.816 303 L CB -0.065 41.947 42.059 -0.079 0.000 0.933 303 L HN 0.514 nan 8.230 nan 0.000 0.449 304 I N -0.597 119.960 120.570 -0.022 0.000 2.512 304 I HA -0.110 4.060 4.170 0.001 0.000 0.247 304 I C 2.701 178.836 176.117 0.030 0.000 1.094 304 I CA 1.498 62.807 61.300 0.016 0.000 1.427 304 I CB -1.072 36.949 38.000 0.035 0.000 1.149 304 I HN 0.229 nan 8.210 nan 0.000 0.438 305 S N 0.428 116.159 115.700 0.051 0.000 2.461 305 S HA 0.102 4.572 4.470 0.001 0.000 0.228 305 S C 1.847 176.491 174.600 0.072 0.000 1.005 305 S CA 0.797 59.039 58.200 0.070 0.000 0.942 305 S CB -0.044 63.223 63.200 0.111 0.000 0.776 305 S HN 0.596 nan 8.310 nan 0.000 0.514 306 G N 1.147 109.993 108.800 0.078 0.000 2.205 306 G HA2 -0.215 3.745 3.960 0.001 0.000 0.261 306 G HA3 -0.215 3.745 3.960 0.001 0.000 0.261 306 G C -0.348 174.671 174.900 0.197 0.000 0.980 306 G CA 0.205 45.407 45.100 0.170 0.000 0.632 306 G HN 0.563 nan 8.290 nan 0.000 0.533 307 D N 0.609 121.079 120.400 0.117 0.000 2.362 307 D HA 0.489 5.129 4.640 0.001 0.000 0.242 307 D C 0.990 177.252 176.300 -0.064 0.000 1.132 307 D CA 0.238 54.201 54.000 -0.062 0.000 0.907 307 D CB 0.588 41.295 40.800 -0.154 0.000 1.195 307 D HN 0.421 nan 8.370 nan 0.000 0.429 308 R N 0.954 121.236 120.500 -0.364 0.000 2.711 308 R HA 0.654 4.994 4.340 0.001 0.000 0.284 308 R C -0.734 175.181 176.300 -0.641 0.000 0.968 308 R CA -0.697 55.240 56.100 -0.271 0.000 0.924 308 R CB 1.391 31.581 30.300 -0.184 0.000 1.162 308 R HN 0.303 nan 8.270 nan 0.000 0.465 309 F N -0.012 119.859 119.950 -0.131 0.000 2.645 309 F HA 0.300 4.827 4.527 0.001 0.000 0.310 309 F C -0.474 175.164 175.800 -0.269 0.000 1.102 309 F CA -1.100 56.798 58.000 -0.169 0.000 0.952 309 F CB 2.107 41.028 39.000 -0.132 0.000 1.326 309 F HN 0.281 nan 8.300 nan 0.000 0.456 310 E N 2.363 122.527 120.200 -0.059 0.000 2.113 310 E HA 0.474 4.824 4.350 0.001 0.000 0.273 310 E C -0.959 175.661 176.600 0.033 0.000 0.924 310 E CA -0.333 55.981 56.400 -0.143 0.000 0.764 310 E CB 1.107 30.684 29.700 -0.204 0.000 1.104 310 E HN 0.249 nan 8.360 nan 0.000 0.406 311 I N 2.608 123.217 120.570 0.066 0.000 2.359 311 I HA 0.326 4.497 4.170 0.001 0.000 0.294 311 I C 0.077 176.324 176.117 0.216 0.000 0.987 311 I CA -1.037 60.340 61.300 0.127 0.000 1.225 311 I CB 1.255 39.303 38.000 0.080 0.000 1.366 311 I HN 0.328 nan 8.210 nan 0.000 0.466 312 K N 5.011 125.532 120.400 0.201 0.000 2.182 312 K HA 0.821 5.142 4.320 0.001 0.000 0.262 312 K C -1.103 175.577 176.600 0.134 0.000 0.957 312 K CA -0.352 56.061 56.287 0.211 0.000 0.842 312 K CB 1.650 34.234 32.500 0.139 0.000 1.099 312 K HN 0.785 nan 8.250 nan 0.000 0.438 313 A N 2.772 125.588 122.820 -0.006 0.000 2.593 313 A HA 0.422 4.742 4.320 0.001 0.000 0.290 313 A C -0.448 177.025 177.584 -0.185 0.000 1.126 313 A CA -0.638 51.269 52.037 -0.217 0.000 0.695 313 A CB 0.971 19.643 19.000 -0.547 0.000 1.290 313 A HN 0.731 nan 8.150 nan 0.000 0.414 314 D N -0.515 119.817 120.400 -0.113 0.000 2.149 314 D HA 0.098 4.738 4.640 0.001 0.000 0.201 314 D C 0.396 176.597 176.300 -0.166 0.000 0.972 314 D CA 1.709 55.700 54.000 -0.014 0.000 0.835 314 D CB 0.129 40.975 40.800 0.077 0.000 0.966 314 D HN 0.229 nan 8.370 nan 0.000 0.476 315 V N 0.557 120.233 119.914 -0.397 0.000 2.656 315 V HA 0.300 4.420 4.120 0.001 0.000 0.307 315 V C -1.225 174.634 176.094 -0.391 0.000 1.051 315 V CA -0.885 61.190 62.300 -0.376 0.000 0.893 315 V CB 1.837 33.324 31.823 -0.560 0.000 0.999 315 V HN -0.060 nan 8.190 nan 0.000 0.426 316 Y N 2.636 122.927 120.300 -0.015 0.000 2.350 316 Y HA 0.707 5.257 4.550 0.001 0.000 0.338 316 Y C -0.164 175.704 175.900 -0.052 0.000 0.961 316 Y CA -0.950 57.129 58.100 -0.034 0.000 1.100 316 Y CB 2.146 40.590 38.460 -0.027 0.000 1.179 316 Y HN 0.342 nan 8.280 nan 0.000 0.454 317 V N 5.457 125.342 119.914 -0.050 0.000 2.444 317 V HA 0.396 4.516 4.120 0.001 0.000 0.294 317 V C -0.521 175.444 176.094 -0.214 0.000 1.022 317 V CA -0.919 61.234 62.300 -0.244 0.000 0.850 317 V CB 1.671 33.126 31.823 -0.614 0.000 0.992 317 V HN 0.592 nan 8.190 nan 0.000 0.426 318 L N 5.137 126.234 121.223 -0.211 0.000 2.262 318 L HA 0.570 4.911 4.340 0.001 0.000 0.288 318 L C 0.387 177.154 176.870 -0.172 0.000 1.035 318 L CA -0.174 54.562 54.840 -0.173 0.000 0.820 318 L CB 1.492 43.432 42.059 -0.198 0.000 1.204 318 L HN 0.810 nan 8.230 nan 0.000 0.424 319 T N -1.578 112.910 114.554 -0.111 0.000 3.624 319 T HA 0.376 4.727 4.350 0.001 0.000 0.244 319 T C 0.618 175.322 174.700 0.007 0.000 1.063 319 T CA -0.137 61.937 62.100 -0.044 0.000 1.252 319 T CB 1.002 69.841 68.868 -0.048 0.000 1.021 319 T HN 0.543 nan 8.240 nan 0.000 0.590 320 A N 0.798 123.633 122.820 0.025 0.000 2.345 320 A HA 0.775 5.096 4.320 0.001 0.000 0.225 320 A C 1.372 179.033 177.584 0.129 0.000 1.243 320 A CA 0.057 52.131 52.037 0.061 0.000 0.875 320 A CB -0.732 18.302 19.000 0.057 0.000 0.929 320 A HN 1.736 nan 8.150 nan 0.000 0.502 321 G N -2.422 106.454 108.800 0.127 0.000 2.690 321 G HA2 0.251 4.212 3.960 0.001 0.000 0.686 321 G HA3 0.251 4.212 3.960 0.001 0.000 0.686 321 G C 0.761 175.768 174.900 0.179 0.000 1.277 321 G CA -0.313 44.877 45.100 0.149 0.000 0.799 321 G HN 1.314 nan 8.290 nan 0.000 0.613 322 A N -0.104 122.807 122.820 0.151 0.000 1.978 322 A HA 0.172 4.492 4.320 0.001 0.000 0.220 322 A C 2.629 180.294 177.584 0.134 0.000 1.170 322 A CA 3.185 55.300 52.037 0.129 0.000 0.636 322 A CB -0.287 18.757 19.000 0.073 0.000 0.810 322 A HN 1.594 nan 8.150 nan 0.000 0.448 323 V N -1.288 118.667 119.914 0.067 0.000 2.446 323 V HA -0.160 3.961 4.120 0.001 0.000 0.244 323 V C 2.161 178.236 176.094 -0.032 0.000 1.039 323 V CA 2.060 64.353 62.300 -0.011 0.000 1.045 323 V CB -0.882 30.827 31.823 -0.191 0.000 0.681 323 V HN 0.735 nan 8.190 nan 0.000 0.459 324 H N -0.406 118.740 119.070 0.127 0.000 2.512 324 H HA 0.030 4.587 4.556 0.001 0.000 0.279 324 H C 2.223 177.552 175.328 0.003 0.000 0.999 324 H CA 0.767 56.846 56.048 0.051 0.000 1.283 324 H CB 0.167 29.939 29.762 0.017 0.000 1.421 324 H HN 0.306 nan 8.280 nan 0.000 0.554 325 N N -0.133 118.646 118.700 0.131 0.000 2.120 325 N HA -0.118 4.623 4.740 0.001 0.000 0.188 325 N C 1.723 177.229 175.510 -0.006 0.000 1.024 325 N CA 1.728 54.791 53.050 0.022 0.000 0.852 325 N CB -0.465 38.015 38.487 -0.012 0.000 1.003 325 N HN 0.309 nan 8.380 nan 0.000 0.424 326 T N 0.904 115.525 114.554 0.112 0.000 2.746 326 T HA -0.174 4.176 4.350 0.001 0.000 0.267 326 T C 1.848 176.435 174.700 -0.188 0.000 1.039 326 T CA 1.133 63.295 62.100 0.105 0.000 1.142 326 T CB -0.183 68.878 68.868 0.322 0.000 0.866 326 T HN 0.364 nan 8.240 nan 0.000 0.444 327 Q N 0.117 119.701 119.800 -0.361 0.000 2.084 327 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 327 Q C 2.306 178.053 176.000 -0.422 0.000 0.978 327 Q CA 1.107 56.399 55.803 -0.851 0.000 0.844 327 Q CB -0.239 28.238 28.738 -0.435 0.000 0.898 327 Q HN 0.352 nan 8.270 nan 0.000 0.426 328 L N 0.667 121.772 121.223 -0.197 0.000 2.046 328 L HA -0.149 4.191 4.340 0.001 0.000 0.208 328 L C 2.056 178.850 176.870 -0.127 0.000 1.077 328 L CA 1.558 56.315 54.840 -0.137 0.000 0.747 328 L CB -0.601 41.398 42.059 -0.100 0.000 0.896 328 L HN 0.311 nan 8.230 nan 0.000 0.432 329 L N -1.928 119.209 121.223 -0.144 0.000 2.017 329 L HA -0.211 4.129 4.340 0.001 0.000 0.208 329 L C 2.423 179.327 176.870 0.056 0.000 1.073 329 L CA 1.049 55.840 54.840 -0.081 0.000 0.745 329 L CB -0.624 41.298 42.059 -0.228 0.000 0.894 329 L HN 0.070 nan 8.230 nan 0.000 0.432 330 V N -0.021 119.856 119.914 -0.062 0.000 2.407 330 V HA -0.274 3.846 4.120 0.001 0.000 0.248 330 V C 2.132 178.195 176.094 -0.050 0.000 1.055 330 V CA 1.921 64.202 62.300 -0.032 0.000 1.049 330 V CB -0.711 31.056 31.823 -0.092 0.000 0.662 330 V HN 0.487 nan 8.190 nan 0.000 0.455 331 N N 0.127 118.760 118.700 -0.112 0.000 2.381 331 N HA -0.105 4.636 4.740 0.001 0.000 0.182 331 N C 1.548 177.021 175.510 -0.061 0.000 1.025 331 N CA 1.265 54.265 53.050 -0.083 0.000 0.888 331 N CB -0.059 38.368 38.487 -0.099 0.000 0.965 331 N HN 0.409 nan 8.380 nan 0.000 0.438 332 S N -1.423 114.261 115.700 -0.027 0.000 2.577 332 S HA 0.329 4.800 4.470 0.001 0.000 0.219 332 S C 1.044 175.582 174.600 -0.103 0.000 0.962 332 S CA 0.241 58.419 58.200 -0.037 0.000 0.921 332 S CB 0.456 63.686 63.200 0.050 0.000 0.789 332 S HN 0.534 nan 8.310 nan 0.000 0.497 333 G N 1.140 109.891 108.800 -0.081 0.000 2.157 333 G HA2 -0.245 3.716 3.960 0.001 0.000 0.248 333 G HA3 -0.245 3.716 3.960 0.001 0.000 0.248 333 G C -0.061 174.713 174.900 -0.210 0.000 0.979 333 G CA -0.470 44.539 45.100 -0.152 0.000 0.650 333 G HN 0.445 nan 8.290 nan 0.000 0.529 334 F N 0.841 120.755 119.950 -0.061 0.000 2.371 334 F HA 0.532 5.059 4.527 0.001 0.000 0.329 334 F C 1.605 177.409 175.800 0.006 0.000 1.107 334 F CA 0.944 58.923 58.000 -0.036 0.000 1.137 334 F CB 1.083 40.034 39.000 -0.082 0.000 1.214 334 F HN 0.743 nan 8.300 nan 0.000 0.536 335 G N 2.003 110.940 108.800 0.229 0.000 2.564 335 G HA2 -0.288 3.673 3.960 0.001 0.000 0.273 335 G HA3 -0.288 3.673 3.960 0.001 0.000 0.273 335 G C -0.806 174.163 174.900 0.115 0.000 1.242 335 G CA -0.003 45.198 45.100 0.168 0.000 0.951 335 G HN 0.821 nan 8.290 nan 0.000 0.564 336 Q N -1.135 118.738 119.800 0.121 0.000 2.305 336 Q HA 0.632 4.972 4.340 0.001 0.000 0.271 336 Q C -1.012 175.065 176.000 0.129 0.000 1.046 336 Q CA -0.984 54.871 55.803 0.087 0.000 0.798 336 Q CB 1.818 30.587 28.738 0.052 0.000 1.286 336 Q HN 0.896 nan 8.270 nan 0.000 0.435 337 L N 3.341 124.628 121.223 0.106 0.000 2.375 337 L HA 0.811 5.151 4.340 0.001 0.000 0.271 337 L C 0.276 177.222 176.870 0.127 0.000 1.107 337 L CA 1.675 56.606 54.840 0.152 0.000 0.806 337 L CB 1.161 43.285 42.059 0.109 0.000 1.146 337 L HN 0.837 nan 8.230 nan 0.000 0.447 338 G N 3.410 112.340 108.800 0.216 0.000 2.728 338 G HA2 -0.212 3.749 3.960 0.001 0.000 0.294 338 G HA3 -0.212 3.749 3.960 0.001 0.000 0.294 338 G C -0.585 174.184 174.900 -0.219 0.000 1.342 338 G CA -0.181 44.996 45.100 0.128 0.000 0.866 338 G HN 0.946 nan 8.290 nan 0.000 0.534 339 R N 0.705 120.851 120.500 -0.589 0.000 2.522 339 R HA 0.386 4.727 4.340 0.001 0.000 0.284 339 R C -1.934 173.887 176.300 -0.798 0.000 1.032 339 R CA -0.660 54.622 56.100 -1.363 0.000 1.049 339 R CB 0.001 29.822 30.300 -0.798 0.000 0.956 339 R HN 0.344 nan 8.270 nan 0.000 0.422 340 P HA -0.104 nan 4.420 nan 0.000 0.261 340 P C -1.300 175.836 177.300 -0.274 0.000 1.173 340 P CA 0.665 63.511 63.100 -0.424 0.000 0.760 340 P CB 0.296 31.775 31.700 -0.368 0.000 0.783 341 N N 3.855 122.452 118.700 -0.171 0.000 2.664 341 N HA 0.212 4.953 4.740 0.001 0.000 0.257 341 N C -1.880 173.586 175.510 -0.073 0.000 1.108 341 N CA -1.933 51.048 53.050 -0.116 0.000 0.822 341 N CB 1.154 39.581 38.487 -0.100 0.000 1.199 341 N HN 0.125 nan 8.380 nan 0.000 0.529 342 P HA -0.024 nan 4.420 nan 0.000 0.226 342 P C 1.012 178.295 177.300 -0.029 0.000 1.153 342 P CA 0.512 63.588 63.100 -0.040 0.000 0.777 342 P CB 0.245 31.922 31.700 -0.038 0.000 0.794 343 A N -0.673 122.127 122.820 -0.033 0.000 1.972 343 A HA -0.121 4.199 4.320 0.001 0.000 0.219 343 A C 1.429 179.000 177.584 -0.021 0.000 1.169 343 A CA 1.188 53.210 52.037 -0.025 0.000 0.635 343 A CB -0.851 18.133 19.000 -0.027 0.000 0.810 343 A HN 0.134 nan 8.150 nan 0.000 0.446 344 N N 0.344 119.029 118.700 -0.024 0.000 2.706 344 N HA 0.364 5.104 4.740 0.001 0.000 0.240 344 N C -3.275 172.227 175.510 -0.012 0.000 1.039 344 N CA -1.833 51.205 53.050 -0.019 0.000 0.888 344 N CB 1.111 39.582 38.487 -0.025 0.000 1.128 344 N HN 0.032 nan 8.380 nan 0.000 0.512 345 P HA 0.349 nan 4.420 nan 0.000 0.280 345 P C -2.515 174.792 177.300 0.012 0.000 1.244 345 P CA -1.112 61.991 63.100 0.005 0.000 0.784 345 P CB 0.189 31.894 31.700 0.008 0.000 0.913 346 P HA 0.050 nan 4.420 nan 0.000 0.268 346 P C 0.965 178.286 177.300 0.034 0.000 1.204 346 P CA 0.035 63.156 63.100 0.035 0.000 0.768 346 P CB 0.649 32.387 31.700 0.063 0.000 0.842 347 E N 2.303 122.515 120.200 0.020 0.000 2.085 347 E HA -0.109 4.242 4.350 0.001 0.000 0.194 347 E C -0.130 176.495 176.600 0.042 0.000 0.994 347 E CA 0.959 57.368 56.400 0.015 0.000 0.801 347 E CB 0.049 29.741 29.700 -0.013 0.000 0.743 347 E HN 0.375 nan 8.360 nan 0.000 0.453 348 L N 0.468 121.729 121.223 0.064 0.000 2.401 348 L HA 0.307 4.648 4.340 0.001 0.000 0.266 348 L C -0.324 176.670 176.870 0.207 0.000 0.991 348 L CA -0.961 53.963 54.840 0.140 0.000 0.818 348 L CB 2.013 44.133 42.059 0.102 0.000 1.321 348 L HN 0.094 nan 8.230 nan 0.000 0.413 349 L N 2.970 124.334 121.223 0.235 0.000 3.713 349 L HA -0.171 4.170 4.340 0.001 0.000 0.499 349 L C -1.476 175.502 176.870 0.179 0.000 1.281 349 L CA -0.450 54.527 54.840 0.228 0.000 0.796 349 L CB -0.880 41.339 42.059 0.268 0.000 1.535 349 L HN 0.594 nan 8.230 nan 0.000 0.851 350 P HA -0.113 nan 4.420 nan 0.000 0.228 350 P C 1.193 178.585 177.300 0.153 0.000 1.151 350 P CA 1.042 64.216 63.100 0.123 0.000 0.770 350 P CB 0.340 32.094 31.700 0.090 0.000 0.786 351 S N -0.672 115.138 115.700 0.183 0.000 2.548 351 S HA 0.073 4.543 4.470 0.001 0.000 0.215 351 S C 0.815 175.567 174.600 0.254 0.000 0.976 351 S CA -0.428 57.926 58.200 0.255 0.000 0.908 351 S CB -0.610 62.739 63.200 0.248 0.000 0.781 351 S HN 0.077 nan 8.310 nan 0.000 0.519 352 L N 2.440 123.791 121.223 0.213 0.000 2.513 352 L HA 0.408 4.749 4.340 0.001 0.000 0.272 352 L C 1.149 178.155 176.870 0.226 0.000 1.187 352 L CA 1.180 56.149 54.840 0.215 0.000 0.895 352 L CB -0.362 41.812 42.059 0.191 0.000 1.147 352 L HN 0.343 nan 8.230 nan 0.000 0.483 353 G N 2.372 111.313 108.800 0.236 0.000 2.162 353 G HA2 -0.260 3.700 3.960 0.001 0.000 0.260 353 G HA3 -0.260 3.700 3.960 0.001 0.000 0.260 353 G C 0.402 175.419 174.900 0.195 0.000 0.976 353 G CA 0.328 45.565 45.100 0.229 0.000 0.655 353 G HN 0.839 nan 8.290 nan 0.000 0.533 354 S N -1.615 114.204 115.700 0.198 0.000 2.704 354 S HA 0.659 5.129 4.470 0.001 0.000 0.305 354 S C 0.400 175.125 174.600 0.208 0.000 1.107 354 S CA 0.072 58.326 58.200 0.090 0.000 0.993 354 S CB 0.906 64.078 63.200 -0.047 0.000 1.110 354 S HN 0.928 nan 8.310 nan 0.000 0.534 355 Y N -0.957 119.408 120.300 0.109 0.000 4.177 355 Y HA -0.209 4.342 4.550 0.001 0.000 0.227 355 Y C 0.530 176.508 175.900 0.130 0.000 1.154 355 Y CA 0.233 58.395 58.100 0.103 0.000 1.887 355 Y CB -2.194 36.322 38.460 0.095 0.000 1.594 355 Y HN 0.610 nan 8.280 nan 0.000 0.668 356 I N 0.012 120.724 120.570 0.237 0.000 2.754 356 I HA 0.456 4.627 4.170 0.001 0.000 0.285 356 I C 0.664 176.946 176.117 0.275 0.000 1.166 356 I CA 0.479 61.924 61.300 0.242 0.000 1.417 356 I CB 1.236 39.377 38.000 0.235 0.000 1.382 356 I HN 0.202 nan 8.210 nan 0.000 0.588 357 T N 1.851 116.530 114.554 0.207 0.000 2.876 357 T HA 0.683 5.034 4.350 0.001 0.000 0.289 357 T C -0.688 174.050 174.700 0.062 0.000 1.014 357 T CA -0.698 61.514 62.100 0.187 0.000 0.986 357 T CB 2.076 70.998 68.868 0.089 0.000 1.021 357 T HN 0.835 nan 8.240 nan 0.000 0.458 358 E N 1.241 121.464 120.200 0.038 0.000 2.356 358 E HA 0.372 4.723 4.350 0.001 0.000 0.275 358 E C -1.092 175.630 176.600 0.203 0.000 0.904 358 E CA -0.594 55.793 56.400 -0.021 0.000 0.757 358 E CB 2.023 31.522 29.700 -0.335 0.000 1.232 358 E HN 0.712 nan 8.360 nan 0.000 0.442 359 Q N 1.060 120.988 119.800 0.213 0.000 2.327 359 Q HA 0.429 4.770 4.340 0.001 0.000 0.254 359 Q C -0.381 175.817 176.000 0.331 0.000 0.952 359 Q CA -0.311 55.668 55.803 0.293 0.000 0.884 359 Q CB 1.167 30.119 28.738 0.356 0.000 1.224 359 Q HN 0.452 nan 8.270 nan 0.000 0.422 360 S N 1.473 117.289 115.700 0.194 0.000 2.576 360 S HA 0.327 4.798 4.470 0.001 0.000 0.276 360 S C -0.672 173.983 174.600 0.091 0.000 1.339 360 S CA -0.446 57.746 58.200 -0.013 0.000 1.039 360 S CB 0.368 63.472 63.200 -0.159 0.000 0.902 360 S HN 0.390 nan 8.310 nan 0.000 0.516 361 L N 4.276 125.525 121.223 0.042 0.000 2.438 361 L HA 0.712 5.052 4.340 0.001 0.000 0.270 361 L C -0.870 175.879 176.870 -0.202 0.000 0.972 361 L CA -0.654 54.112 54.840 -0.124 0.000 0.831 361 L CB 1.653 43.621 42.059 -0.153 0.000 1.273 361 L HN 0.468 nan 8.230 nan 0.000 0.405 362 V N 1.985 121.697 119.914 -0.336 0.000 2.715 362 V HA 0.770 4.890 4.120 0.001 0.000 0.310 362 V C -0.952 175.007 176.094 -0.226 0.000 1.054 362 V CA -0.680 61.342 62.300 -0.464 0.000 0.928 362 V CB 1.654 33.015 31.823 -0.770 0.000 1.007 362 V HN 0.837 nan 8.190 nan 0.000 0.437 363 F N 4.301 124.046 119.950 -0.342 0.000 2.619 363 F HA 0.871 5.398 4.527 0.001 0.000 0.308 363 F C -0.450 175.224 175.800 -0.211 0.000 1.097 363 F CA -0.165 57.713 58.000 -0.204 0.000 0.953 363 F CB 1.601 40.526 39.000 -0.124 0.000 1.287 363 F HN 1.217 nan 8.300 nan 0.000 0.446 364 C N 2.614 121.294 119.300 -1.033 0.000 3.321 364 C HA 0.776 5.236 4.460 0.001 0.000 0.329 364 C C -1.784 172.630 174.990 -0.961 0.000 1.394 364 C CA -0.701 57.694 59.018 -1.038 0.000 1.291 364 C CB 1.645 29.026 27.740 -0.599 0.000 1.606 364 C HN 0.988 nan 8.230 nan 0.000 0.463 365 Q N 0.694 120.164 119.800 -0.551 0.000 2.387 365 Q HA 0.765 5.106 4.340 0.001 0.000 0.273 365 Q C -0.415 175.601 176.000 0.027 0.000 1.089 365 Q CA -0.239 55.466 55.803 -0.163 0.000 0.824 365 Q CB 2.687 31.314 28.738 -0.185 0.000 1.367 365 Q HN 0.938 nan 8.270 nan 0.000 0.443 366 T N -2.565 112.086 114.554 0.161 0.000 2.932 366 T HA 0.696 5.046 4.350 0.001 0.000 0.289 366 T C -0.515 174.230 174.700 0.075 0.000 1.039 366 T CA -0.725 61.436 62.100 0.102 0.000 1.024 366 T CB 1.244 70.178 68.868 0.110 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.682 122.607 119.914 0.019 0.000 2.357 367 V HA 0.396 4.516 4.120 0.001 0.000 0.284 367 V C 0.291 176.385 176.094 0.000 0.000 1.018 367 V CA -0.903 61.400 62.300 0.005 0.000 0.841 367 V CB 1.078 32.894 31.823 -0.011 0.000 0.991 367 V HN 1.032 nan 8.190 nan 0.000 0.437 368 M N 4.857 124.466 119.600 0.016 0.000 2.245 368 M HA 0.091 4.572 4.480 0.001 0.000 0.335 368 M C 0.875 177.174 176.300 -0.001 0.000 1.155 368 M CA 0.722 56.034 55.300 0.021 0.000 1.055 368 M CB 0.629 33.242 32.600 0.022 0.000 1.670 368 M HN 0.913 nan 8.290 nan 0.000 0.447 369 S N 2.472 118.169 115.700 -0.005 0.000 2.572 369 S HA 0.102 4.572 4.470 0.001 0.000 0.279 369 S C 0.971 175.567 174.600 -0.007 0.000 1.341 369 S CA -0.173 58.016 58.200 -0.019 0.000 1.043 369 S CB 0.612 63.795 63.200 -0.027 0.000 0.887 369 S HN 0.806 nan 8.310 nan 0.000 0.516 370 T N 2.045 116.591 114.554 -0.012 0.000 2.759 370 T HA -0.140 4.211 4.350 0.001 0.000 0.269 370 T C 1.593 176.295 174.700 0.003 0.000 1.042 370 T CA 1.911 64.009 62.100 -0.003 0.000 1.140 370 T CB -0.457 68.406 68.868 -0.008 0.000 0.864 370 T HN 0.778 nan 8.240 nan 0.000 0.455 371 E N 0.637 120.835 120.200 -0.003 0.000 2.077 371 E HA -0.063 4.287 4.350 0.001 0.000 0.193 371 E C 2.247 178.858 176.600 0.019 0.000 0.989 371 E CA 0.873 57.274 56.400 0.002 0.000 0.800 371 E CB -0.279 29.416 29.700 -0.009 0.000 0.746 371 E HN 0.429 nan 8.360 nan 0.000 0.452 372 L N 0.746 121.983 121.223 0.022 0.000 2.056 372 L HA -0.183 4.158 4.340 0.001 0.000 0.207 372 L C 2.417 179.322 176.870 0.058 0.000 1.078 372 L CA 0.489 55.357 54.840 0.046 0.000 0.749 372 L CB -0.264 41.823 42.059 0.046 0.000 0.901 372 L HN 0.192 nan 8.230 nan 0.000 0.433 373 I N -0.001 120.591 120.570 0.038 0.000 2.179 373 I HA -0.292 3.879 4.170 0.001 0.000 0.242 373 I C 2.164 178.311 176.117 0.049 0.000 1.088 373 I CA 1.543 62.864 61.300 0.035 0.000 1.357 373 I CB -1.152 36.859 38.000 0.018 0.000 1.051 373 I HN 0.285 nan 8.210 nan 0.000 0.409 374 D N 0.721 121.147 120.400 0.044 0.000 2.149 374 D HA -0.146 4.494 4.640 0.001 0.000 0.198 374 D C 2.363 178.707 176.300 0.073 0.000 0.990 374 D CA 1.670 55.700 54.000 0.050 0.000 0.839 374 D CB -0.138 40.682 40.800 0.033 0.000 0.948 374 D HN 0.384 nan 8.370 nan 0.000 0.460 375 S N -0.041 115.709 115.700 0.085 0.000 2.419 375 S HA -0.119 4.351 4.470 0.001 0.000 0.233 375 S C 2.142 176.879 174.600 0.228 0.000 1.016 375 S CA 0.783 59.060 58.200 0.130 0.000 0.974 375 S CB -0.500 62.768 63.200 0.113 0.000 0.786 375 S HN 0.092 nan 8.310 nan 0.000 0.492 376 V N 2.958 122.985 119.914 0.189 0.000 2.490 376 V HA -0.145 3.976 4.120 0.001 0.000 0.250 376 V C 2.219 178.449 176.094 0.226 0.000 1.061 376 V CA 2.079 64.523 62.300 0.241 0.000 1.064 376 V CB -0.802 31.095 31.823 0.124 0.000 0.670 376 V HN 0.813 nan 8.190 nan 0.000 0.461 377 K N 0.346 120.837 120.400 0.152 0.000 2.498 377 K HA 0.170 4.490 4.320 0.001 0.000 0.207 377 K C 1.634 178.294 176.600 0.100 0.000 1.033 377 K CA 0.684 57.044 56.287 0.121 0.000 1.138 377 K CB 0.162 32.717 32.500 0.091 0.000 0.860 377 K HN 0.423 nan 8.250 nan 0.000 0.490 378 S N 0.974 116.744 115.700 0.117 0.000 2.400 378 S HA -0.174 4.297 4.470 0.001 0.000 0.232 378 S C 1.004 175.612 174.600 0.013 0.000 1.025 378 S CA 1.347 59.575 58.200 0.046 0.000 0.993 378 S CB -0.250 62.950 63.200 0.000 0.000 0.808 378 S HN 0.309 nan 8.310 nan 0.000 0.478 379 D N 0.730 121.147 120.400 0.028 0.000 2.339 379 D HA 0.229 4.869 4.640 0.001 0.000 0.217 379 D C 0.131 176.466 176.300 0.059 0.000 1.050 379 D CA 0.267 54.271 54.000 0.006 0.000 0.856 379 D CB -0.012 40.766 40.800 -0.036 0.000 0.922 379 D HN 0.377 nan 8.370 nan 0.000 0.518 380 M N 0.512 120.149 119.600 0.062 0.000 2.249 380 M HA 0.220 4.701 4.480 0.001 0.000 0.351 380 M C 0.265 176.592 176.300 0.045 0.000 1.180 380 M CA 0.046 55.391 55.300 0.076 0.000 1.127 380 M CB 1.041 33.679 32.600 0.065 0.000 1.546 380 M HN -0.323 nan 8.290 nan 0.000 0.461 381 T N 4.431 119.006 114.554 0.034 0.000 2.767 381 T HA 0.677 5.028 4.350 0.001 0.000 0.284 381 T C 0.103 174.783 174.700 -0.033 0.000 0.973 381 T CA -0.379 61.722 62.100 0.002 0.000 0.996 381 T CB 0.741 69.607 68.868 -0.005 0.000 0.927 381 T HN 0.445 nan 8.240 nan 0.000 0.456 382 I N 3.423 123.973 120.570 -0.033 0.000 2.382 382 I HA 0.461 4.631 4.170 0.001 0.000 0.286 382 I C 0.218 176.304 176.117 -0.051 0.000 1.002 382 I CA -0.778 60.475 61.300 -0.078 0.000 1.135 382 I CB 1.461 39.457 38.000 -0.006 0.000 1.288 382 I HN 0.312 nan 8.210 nan 0.000 0.448 383 R N 5.317 125.752 120.500 -0.108 0.000 2.494 383 R HA 0.717 5.057 4.340 0.001 0.000 0.305 383 R C 0.180 176.489 176.300 0.014 0.000 0.959 383 R CA 0.276 56.352 56.100 -0.040 0.000 0.864 383 R CB 1.688 31.955 30.300 -0.054 0.000 1.159 383 R HN 0.869 nan 8.270 nan 0.000 0.446 384 G N 1.793 110.646 108.800 0.088 0.000 2.584 384 G HA2 -0.262 3.699 3.960 0.001 0.000 0.229 384 G HA3 -0.262 3.699 3.960 0.001 0.000 0.229 384 G C -0.952 174.105 174.900 0.261 0.000 1.320 384 G CA -0.182 45.014 45.100 0.159 0.000 0.891 384 G HN 0.792 nan 8.290 nan 0.000 0.573 385 T N -0.433 114.261 114.554 0.233 0.000 2.841 385 T HA 0.670 5.021 4.350 0.001 0.000 0.285 385 T C -2.869 171.737 174.700 -0.157 0.000 0.991 385 T CA -1.367 60.777 62.100 0.073 0.000 0.966 385 T CB 2.369 71.249 68.868 0.021 0.000 0.962 385 T HN 0.527 nan 8.240 nan 0.000 0.438 386 P HA 0.281 nan 4.420 nan 0.000 0.264 386 P C 1.258 178.321 177.300 -0.395 0.000 1.183 386 P CA 1.192 63.720 63.100 -0.954 0.000 0.763 386 P CB 0.253 31.512 31.700 -0.734 0.000 0.807 387 G N 1.121 109.742 108.800 -0.299 0.000 2.232 387 G HA2 -0.172 3.788 3.960 0.001 0.000 0.226 387 G HA3 -0.172 3.788 3.960 0.001 0.000 0.226 387 G C 0.194 175.060 174.900 -0.058 0.000 0.996 387 G CA -0.308 44.715 45.100 -0.129 0.000 0.626 387 G HN 0.516 nan 8.290 nan 0.000 0.509 388 E N -0.370 119.807 120.200 -0.038 0.000 2.280 388 E HA 0.523 4.874 4.350 0.001 0.000 0.264 388 E C 1.390 178.023 176.600 0.055 0.000 1.064 388 E CA -0.498 55.911 56.400 0.015 0.000 0.900 388 E CB 1.617 31.334 29.700 0.027 0.000 1.123 388 E HN 0.205 nan 8.360 nan 0.000 0.418 389 L N 1.797 123.046 121.223 0.043 0.000 2.079 389 L HA -0.206 4.135 4.340 0.001 0.000 0.210 389 L C 1.947 178.854 176.870 0.062 0.000 1.081 389 L CA 2.319 57.186 54.840 0.044 0.000 0.752 389 L CB -0.369 41.706 42.059 0.028 0.000 0.896 389 L HN 0.648 nan 8.230 nan 0.000 0.433 390 T N -3.844 110.753 114.554 0.073 0.000 3.081 390 T HA -0.053 4.298 4.350 0.001 0.000 0.255 390 T C 0.662 175.425 174.700 0.106 0.000 1.113 390 T CA -0.277 61.864 62.100 0.069 0.000 1.082 390 T CB -0.673 68.228 68.868 0.054 0.000 0.939 390 T HN 0.222 nan 8.240 nan 0.000 0.506 391 Y N 2.989 123.287 120.300 -0.002 0.000 2.717 391 Y HA 0.361 4.911 4.550 0.001 0.000 0.330 391 Y C 0.296 176.196 175.900 -0.000 0.000 1.217 391 Y CA -0.322 57.778 58.100 -0.001 0.000 1.506 391 Y CB 0.153 38.611 38.460 -0.004 0.000 1.268 391 Y HN 0.200 nan 8.280 nan 0.000 0.561 392 S N 4.862 120.272 115.700 -0.484 0.000 2.572 392 S HA 0.720 5.191 4.470 0.001 0.000 0.274 392 S C -2.003 172.294 174.600 -0.504 0.000 1.150 392 S CA -0.726 57.250 58.200 -0.374 0.000 0.944 392 S CB 0.814 63.910 63.200 -0.173 0.000 1.071 392 S HN 0.450 nan 8.310 nan 0.000 0.479 393 V N 4.571 124.275 119.914 -0.351 0.000 2.409 393 V HA 0.657 4.777 4.120 0.001 0.000 0.290 393 V C -0.026 176.032 176.094 -0.060 0.000 1.017 393 V CA -0.532 61.641 62.300 -0.211 0.000 0.841 393 V CB 1.271 32.994 31.823 -0.167 0.000 1.003 393 V HN 1.002 nan 8.190 nan 0.000 0.426 394 T N 1.694 116.238 114.554 -0.016 0.000 2.916 394 T HA 0.884 5.235 4.350 0.001 0.000 0.292 394 T C -0.906 173.870 174.700 0.128 0.000 1.055 394 T CA -0.737 61.373 62.100 0.016 0.000 1.009 394 T CB 2.374 71.211 68.868 -0.052 0.000 1.118 394 T HN 0.740 nan 8.240 nan 0.000 0.497 395 Y N -1.579 118.712 120.300 -0.016 0.000 2.638 395 Y HA 0.789 5.339 4.550 0.001 0.000 0.339 395 Y C -0.767 175.126 175.900 -0.012 0.000 1.084 395 Y CA -1.366 56.728 58.100 -0.011 0.000 1.068 395 Y CB 0.833 39.295 38.460 0.003 0.000 1.294 395 Y HN 0.607 nan 8.280 nan 0.000 0.480 396 T N 4.005 118.579 114.554 0.033 0.000 2.781 396 T HA 0.385 4.736 4.350 0.001 0.000 0.305 396 T C -2.797 171.926 174.700 0.038 0.000 1.001 396 T CA -1.334 60.729 62.100 -0.063 0.000 0.950 396 T CB 0.536 69.396 68.868 -0.013 0.000 0.955 396 T HN 0.354 nan 8.240 nan 0.000 0.471 397 P HA 0.221 nan 4.420 nan 0.000 0.264 397 P C 1.107 178.453 177.300 0.078 0.000 1.193 397 P CA 0.666 63.828 63.100 0.103 0.000 0.763 397 P CB 0.356 32.061 31.700 0.008 0.000 0.810 398 G N 1.923 110.784 108.800 0.102 0.000 2.168 398 G HA2 -0.218 3.743 3.960 0.001 0.000 0.263 398 G HA3 -0.218 3.743 3.960 0.001 0.000 0.263 398 G C 0.456 175.373 174.900 0.027 0.000 0.977 398 G CA 0.032 45.164 45.100 0.053 0.000 0.659 398 G HN 0.860 nan 8.290 nan 0.000 0.533 399 A N 0.483 123.321 122.820 0.030 0.000 2.477 399 A HA 0.663 4.983 4.320 0.001 0.000 0.246 399 A C 1.718 179.293 177.584 -0.014 0.000 1.078 399 A CA 1.232 53.273 52.037 0.006 0.000 0.770 399 A CB 0.411 19.416 19.000 0.009 0.000 1.011 399 A HN 1.723 nan 8.150 nan 0.000 0.494 400 S N 1.267 116.955 115.700 -0.020 0.000 2.481 400 S HA -0.125 4.346 4.470 0.001 0.000 0.231 400 S C 1.288 175.858 174.600 -0.050 0.000 0.996 400 S CA 1.508 59.689 58.200 -0.031 0.000 0.942 400 S CB -0.672 62.513 63.200 -0.024 0.000 0.768 400 S HN 1.084 nan 8.310 nan 0.000 0.520 401 T N -0.926 113.597 114.554 -0.051 0.000 3.107 401 T HA 0.238 4.588 4.350 0.001 0.000 0.249 401 T C 0.347 174.986 174.700 -0.102 0.000 1.096 401 T CA -0.547 61.511 62.100 -0.070 0.000 1.012 401 T CB -0.547 68.289 68.868 -0.054 0.000 0.977 401 T HN 0.194 nan 8.240 nan 0.000 0.527 402 N N 2.412 121.052 118.700 -0.100 0.000 2.454 402 N HA 0.191 4.931 4.740 0.001 0.000 0.260 402 N C 0.760 176.110 175.510 -0.268 0.000 1.218 402 N CA -0.027 52.929 53.050 -0.155 0.000 0.904 402 N CB 1.091 39.513 38.487 -0.109 0.000 1.065 402 N HN 0.194 nan 8.380 nan 0.000 0.462 403 K N 1.088 121.225 120.400 -0.437 0.000 2.366 403 K HA 0.065 4.386 4.320 0.001 0.000 0.198 403 K C -0.043 175.997 176.600 -0.934 0.000 1.044 403 K CA 0.957 56.834 56.287 -0.683 0.000 0.973 403 K CB 0.077 32.078 32.500 -0.832 0.000 0.767 403 K HN 0.540 nan 8.250 nan 0.000 0.475 404 H N -0.864 117.895 119.070 -0.518 0.000 2.747 404 H HA 0.329 4.885 4.556 0.001 0.000 0.371 404 H C -2.478 172.531 175.328 -0.533 0.000 1.161 404 H CA -2.851 52.722 56.048 -0.791 0.000 1.167 404 H CB 1.253 30.158 29.762 -1.428 0.000 1.732 404 H HN -0.164 nan 8.280 nan 0.000 0.544 405 P HA 0.029 nan 4.420 nan 0.000 0.274 405 P C 0.310 177.425 177.300 -0.308 0.000 1.246 405 P CA -0.260 62.653 63.100 -0.312 0.000 0.795 405 P CB 1.368 32.851 31.700 -0.363 0.000 1.006 406 D N 0.295 120.646 120.400 -0.081 0.000 2.123 406 D HA -0.154 4.486 4.640 0.001 0.000 0.196 406 D C 1.934 178.258 176.300 0.039 0.000 0.992 406 D CA 1.402 55.426 54.000 0.041 0.000 0.833 406 D CB -0.527 40.390 40.800 0.196 0.000 0.954 406 D HN 0.603 nan 8.370 nan 0.000 0.455 407 W N 0.246 121.620 121.300 0.124 0.000 2.363 407 W HA -0.149 4.512 4.660 0.001 0.000 0.296 407 W C 2.028 178.614 176.519 0.113 0.000 1.212 407 W CA 0.211 57.621 57.345 0.110 0.000 1.260 407 W CB -1.469 28.049 29.460 0.096 0.000 1.131 407 W HN 0.071 nan 8.180 nan 0.000 0.530 408 W N 3.397 124.269 121.300 -0.713 0.000 2.354 408 W HA -0.193 4.467 4.660 0.001 0.000 0.315 408 W C 1.917 178.178 176.519 -0.430 0.000 1.206 408 W CA 1.876 58.776 57.345 -0.742 0.000 1.290 408 W CB -1.025 27.752 29.460 -1.138 0.000 1.152 408 W HN -0.101 nan 8.180 nan 0.000 0.489 409 N N 0.890 119.517 118.700 -0.121 0.000 2.166 409 N HA -0.205 4.536 4.740 0.001 0.000 0.186 409 N C 1.541 176.782 175.510 -0.448 0.000 1.019 409 N CA 1.975 54.744 53.050 -0.468 0.000 0.856 409 N CB -0.665 37.139 38.487 -1.137 0.000 0.993 409 N HN 0.259 nan 8.380 nan 0.000 0.426 410 E N 1.300 121.382 120.200 -0.197 0.000 2.077 410 E HA -0.072 4.278 4.350 0.001 0.000 0.193 410 E C 1.597 178.254 176.600 0.095 0.000 0.989 410 E CA 1.310 57.784 56.400 0.122 0.000 0.800 410 E CB 0.072 29.911 29.700 0.232 0.000 0.746 410 E HN 0.252 nan 8.360 nan 0.000 0.452 411 K N -0.520 119.915 120.400 0.058 0.000 2.097 411 K HA -0.073 4.248 4.320 0.001 0.000 0.205 411 K C 2.067 178.674 176.600 0.013 0.000 1.050 411 K CA 1.258 57.570 56.287 0.041 0.000 0.938 411 K CB -0.001 32.505 32.500 0.009 0.000 0.718 411 K HN 0.031 nan 8.250 nan 0.000 0.442 412 V N 1.975 121.864 119.914 -0.041 0.000 2.307 412 V HA -0.245 3.876 4.120 0.001 0.000 0.245 412 V C 2.378 178.514 176.094 0.071 0.000 1.045 412 V CA 1.613 63.908 62.300 -0.009 0.000 1.024 412 V CB -0.435 31.378 31.823 -0.016 0.000 0.651 412 V HN 0.335 nan 8.190 nan 0.000 0.449 413 K N 0.440 120.882 120.400 0.071 0.000 2.032 413 K HA -0.259 4.061 4.320 0.001 0.000 0.209 413 K C 2.010 178.673 176.600 0.106 0.000 1.048 413 K CA 2.140 58.499 56.287 0.119 0.000 0.927 413 K CB -0.275 32.365 32.500 0.233 0.000 0.712 413 K HN 0.418 nan 8.250 nan 0.000 0.441 414 N N 0.337 119.106 118.700 0.115 0.000 2.142 414 N HA -0.172 4.568 4.740 0.001 0.000 0.186 414 N C 1.781 177.354 175.510 0.106 0.000 1.023 414 N CA 1.366 54.475 53.050 0.100 0.000 0.852 414 N CB -0.652 37.900 38.487 0.109 0.000 0.998 414 N HN 0.439 nan 8.380 nan 0.000 0.424 415 H N 0.621 119.725 119.070 0.057 0.000 2.319 415 H HA 0.067 4.624 4.556 0.001 0.000 0.299 415 H C 2.010 177.389 175.328 0.086 0.000 1.092 415 H CA 1.842 57.934 56.048 0.073 0.000 1.302 415 H CB -0.077 29.637 29.762 -0.079 0.000 1.373 415 H HN 0.116 nan 8.280 nan 0.000 0.497 416 M N -1.172 118.430 119.600 0.003 0.000 2.254 416 M HA -0.076 4.405 4.480 0.001 0.000 0.265 416 M C 2.176 178.527 176.300 0.085 0.000 1.066 416 M CA 1.354 56.665 55.300 0.018 0.000 1.123 416 M CB -0.000 32.679 32.600 0.132 0.000 1.388 416 M HN 0.343 nan 8.290 nan 0.000 0.425 417 M N 0.230 119.864 119.600 0.056 0.000 2.288 417 M HA -0.097 4.383 4.480 0.001 0.000 0.266 417 M C 1.798 178.091 176.300 -0.013 0.000 1.072 417 M CA 1.822 57.163 55.300 0.070 0.000 1.132 417 M CB -0.002 32.614 32.600 0.027 0.000 1.386 417 M HN 0.143 nan 8.290 nan 0.000 0.432 418 Q N -1.364 118.358 119.800 -0.131 0.000 2.398 418 Q HA 0.032 4.373 4.340 0.001 0.000 0.204 418 Q C -0.149 175.486 176.000 -0.608 0.000 0.932 418 Q CA 0.571 56.170 55.803 -0.341 0.000 0.916 418 Q CB 0.410 28.916 28.738 -0.386 0.000 1.024 418 Q HN 0.508 nan 8.270 nan 0.000 0.504 419 H N 0.104 119.096 119.070 -0.130 0.000 2.379 419 H HA 0.195 4.751 4.556 0.001 0.000 0.229 419 H C 0.050 175.287 175.328 -0.152 0.000 1.423 419 H CA -0.081 55.886 56.048 -0.135 0.000 1.375 419 H CB 0.533 30.143 29.762 -0.254 0.000 1.592 419 H HN 0.232 nan 8.280 nan 0.000 0.507 420 Q N 0.609 120.388 119.800 -0.036 0.000 2.369 420 Q HA -0.106 4.235 4.340 0.001 0.000 0.206 420 Q C 1.929 177.873 176.000 -0.094 0.000 0.963 420 Q CA 0.817 56.562 55.803 -0.098 0.000 0.894 420 Q CB 0.438 29.076 28.738 -0.167 0.000 0.965 420 Q HN 0.521 nan 8.270 nan 0.000 0.475 421 E N 1.193 121.385 120.200 -0.013 0.000 2.347 421 E HA -0.129 4.222 4.350 0.001 0.000 0.196 421 E C -0.272 176.355 176.600 0.045 0.000 1.008 421 E CA 0.620 57.027 56.400 0.012 0.000 0.852 421 E CB -0.020 29.712 29.700 0.053 0.000 0.783 421 E HN 0.178 nan 8.360 nan 0.000 0.505 422 D N 1.937 122.377 120.400 0.066 0.000 2.225 422 D HA 0.114 4.755 4.640 0.001 0.000 0.248 422 D C -1.585 174.757 176.300 0.071 0.000 1.096 422 D CA -2.066 52.000 54.000 0.110 0.000 0.863 422 D CB 1.582 42.471 40.800 0.149 0.000 1.156 422 D HN -0.151 nan 8.370 nan 0.000 0.450 423 P HA 0.113 nan 4.420 nan 0.000 0.255 423 P C -0.267 177.073 177.300 0.066 0.000 1.248 423 P CA 0.168 63.302 63.100 0.057 0.000 0.807 423 P CB 0.372 32.098 31.700 0.042 0.000 1.150 424 L N 1.719 122.995 121.223 0.089 0.000 2.331 424 L HA 0.386 4.727 4.340 0.001 0.000 0.275 424 L C -1.423 175.491 176.870 0.073 0.000 1.022 424 L CA -2.278 52.592 54.840 0.049 0.000 0.812 424 L CB 2.452 44.509 42.059 -0.004 0.000 1.257 424 L HN -0.306 nan 8.230 nan 0.000 0.435 425 P HA 0.096 nan 4.420 nan 0.000 0.255 425 P C 0.216 177.412 177.300 -0.172 0.000 1.248 425 P CA 0.499 63.618 63.100 0.032 0.000 0.807 425 P CB 0.445 32.165 31.700 0.032 0.000 1.150 426 I N 2.235 122.600 120.570 -0.342 0.000 2.371 426 I HA 0.216 4.387 4.170 0.001 0.000 0.290 426 I C -2.163 173.466 176.117 -0.813 0.000 1.028 426 I CA -2.712 58.323 61.300 -0.442 0.000 1.345 426 I CB 0.769 38.597 38.000 -0.287 0.000 1.407 426 I HN -0.251 nan 8.210 nan 0.000 0.501 427 P HA 0.005 nan 4.420 nan 0.000 0.267 427 P C 0.317 177.370 177.300 -0.411 0.000 1.200 427 P CA 0.011 62.735 63.100 -0.626 0.000 0.772 427 P CB 0.360 31.932 31.700 -0.214 0.000 0.855 428 F N 0.849 120.667 119.950 -0.219 0.000 2.161 428 F HA -0.142 4.386 4.527 0.001 0.000 0.300 428 F C 1.722 177.477 175.800 -0.074 0.000 1.089 428 F CA 1.621 59.544 58.000 -0.128 0.000 1.282 428 F CB -0.896 38.047 39.000 -0.095 0.000 1.010 428 F HN 0.416 nan 8.300 nan 0.000 0.485 429 E N -0.358 119.921 120.200 0.133 0.000 2.419 429 E HA -0.006 4.344 4.350 0.001 0.000 0.190 429 E C -0.231 176.389 176.600 0.034 0.000 1.040 429 E CA -0.242 56.207 56.400 0.082 0.000 0.900 429 E CB -0.218 29.532 29.700 0.084 0.000 1.054 429 E HN 0.184 nan 8.360 nan 0.000 0.462 430 D N 2.458 122.856 120.400 -0.003 0.000 2.450 430 D HA 0.022 4.663 4.640 0.001 0.000 0.247 430 D C -2.268 174.048 176.300 0.027 0.000 1.162 430 D CA -1.629 52.357 54.000 -0.023 0.000 0.879 430 D CB 0.782 41.529 40.800 -0.089 0.000 1.163 430 D HN -0.125 nan 8.370 nan 0.000 0.472 431 P HA 0.045 nan 4.420 nan 0.000 0.270 431 P C -0.288 177.121 177.300 0.182 0.000 1.223 431 P CA -0.282 62.909 63.100 0.152 0.000 0.785 431 P CB 0.332 32.137 31.700 0.175 0.000 0.923 432 E N 2.388 122.712 120.200 0.206 0.000 2.392 432 E HA 0.160 4.510 4.350 0.001 0.000 0.256 432 E C -2.392 174.247 176.600 0.065 0.000 1.145 432 E CA -1.838 54.616 56.400 0.090 0.000 0.929 432 E CB -0.921 28.793 29.700 0.024 0.000 0.998 432 E HN 0.255 nan 8.360 nan 0.000 0.442 433 P HA 0.060 nan 4.420 nan 0.000 0.272 433 P C -0.529 176.776 177.300 0.008 0.000 1.223 433 P CA 0.001 63.170 63.100 0.116 0.000 0.784 433 P CB 0.480 32.198 31.700 0.030 0.000 0.923 434 Q N 1.076 120.975 119.800 0.164 0.000 3.484 434 Q HA 0.307 4.648 4.340 0.001 0.000 0.255 434 Q C -1.006 175.082 176.000 0.146 0.000 0.909 434 Q CA -0.371 55.401 55.803 -0.052 0.000 0.774 434 Q CB 1.288 29.747 28.738 -0.465 0.000 1.431 434 Q HN 0.199 nan 8.270 nan 0.000 0.423 435 V N 0.709 120.664 119.914 0.068 0.000 2.547 435 V HA 0.701 4.822 4.120 0.001 0.000 0.299 435 V C 0.171 176.271 176.094 0.009 0.000 1.040 435 V CA -0.362 61.976 62.300 0.063 0.000 0.913 435 V CB 2.013 33.819 31.823 -0.029 0.000 0.992 435 V HN 0.450 nan 8.190 nan 0.000 0.449 436 T N 1.949 116.540 114.554 0.061 0.000 2.916 436 T HA 0.450 4.801 4.350 0.001 0.000 0.305 436 T C -0.851 173.782 174.700 -0.111 0.000 1.119 436 T CA -0.315 61.763 62.100 -0.036 0.000 1.008 436 T CB 1.790 70.633 68.868 -0.040 0.000 1.129 436 T HN 0.799 nan 8.240 nan 0.000 0.480 437 T N 5.002 119.337 114.554 -0.365 0.000 2.756 437 T HA 0.575 4.925 4.350 0.001 0.000 0.290 437 T C 0.064 174.625 174.700 -0.231 0.000 0.985 437 T CA -0.596 61.145 62.100 -0.599 0.000 0.955 437 T CB -0.239 67.848 68.868 -1.301 0.000 0.930 437 T HN 0.517 nan 8.240 nan 0.000 0.451 438 L N 4.605 125.771 121.223 -0.094 0.000 2.461 438 L HA 0.315 4.655 4.340 0.001 0.000 0.272 438 L C 0.787 177.671 176.870 0.023 0.000 1.197 438 L CA -0.780 54.085 54.840 0.043 0.000 0.836 438 L CB 0.124 42.201 42.059 0.030 0.000 1.105 438 L HN 0.631 nan 8.230 nan 0.000 0.477 439 F N 3.334 123.221 119.950 -0.106 0.000 2.537 439 F HA -0.121 4.407 4.527 0.001 0.000 0.402 439 F C 0.317 175.856 175.800 -0.436 0.000 1.005 439 F CA 0.681 58.524 58.000 -0.262 0.000 1.203 439 F CB 0.055 38.950 39.000 -0.176 0.000 0.955 439 F HN 0.408 nan 8.300 nan 0.000 0.547 440 Q N 6.906 126.205 119.800 -0.834 0.000 2.495 440 Q HA 0.277 4.617 4.340 0.001 0.000 0.287 440 Q C -1.944 173.624 176.000 -0.721 0.000 1.078 440 Q CA -1.791 53.610 55.803 -0.669 0.000 0.793 440 Q CB 1.423 29.624 28.738 -0.895 0.000 1.459 440 Q HN 0.229 nan 8.270 nan 0.000 0.422 441 P HA -0.190 nan 4.420 nan 0.000 0.216 441 P C 1.131 178.220 177.300 -0.352 0.000 1.150 441 P CA 1.968 64.901 63.100 -0.278 0.000 0.843 441 P CB 0.195 31.819 31.700 -0.127 0.000 0.787 442 S N -1.617 113.881 115.700 -0.337 0.000 2.562 442 S HA -0.083 4.387 4.470 0.001 0.000 0.221 442 S C 0.458 174.891 174.600 -0.278 0.000 0.975 442 S CA 0.048 58.124 58.200 -0.208 0.000 0.918 442 S CB -1.281 61.895 63.200 -0.042 0.000 0.772 442 S HN 0.447 nan 8.310 nan 0.000 0.531 443 H N -1.635 116.996 119.070 -0.733 0.000 2.643 443 H HA 0.440 4.996 4.556 0.001 0.000 0.229 443 H C -3.279 170.928 175.328 -1.868 0.000 1.410 443 H CA -1.640 53.589 56.048 -1.365 0.000 1.458 443 H CB 0.256 29.485 29.762 -0.888 0.000 1.792 443 H HN 0.058 nan 8.280 nan 0.000 0.563 444 P HA 0.077 nan 4.420 nan 0.000 0.225 444 P C -1.211 175.417 177.300 -1.120 0.000 1.768 444 P CA 0.258 62.258 63.100 -1.832 0.000 0.943 444 P CB -1.117 30.085 31.700 -0.830 0.000 1.936 445 W N -0.620 120.316 121.300 -0.605 0.000 3.167 445 W HA 0.519 5.180 4.660 0.001 0.000 0.324 445 W C -0.744 175.846 176.519 0.118 0.000 1.230 445 W CA -1.287 56.042 57.345 -0.027 0.000 1.184 445 W CB 0.072 29.551 29.460 0.032 0.000 1.414 445 W HN -0.025 nan 8.180 nan 0.000 0.551 446 H N 1.170 120.502 119.070 0.436 0.000 2.505 446 H HA 0.667 5.223 4.556 0.001 0.000 0.351 446 H C -0.149 175.331 175.328 0.252 0.000 1.151 446 H CA 0.469 56.681 56.048 0.275 0.000 1.339 446 H CB 1.411 31.298 29.762 0.207 0.000 1.483 446 H HN 0.570 nan 8.280 nan 0.000 0.558 447 T N 2.178 116.382 114.554 -0.583 0.000 2.893 447 T HA 0.501 4.852 4.350 0.001 0.000 0.293 447 T C -0.805 173.573 174.700 -0.537 0.000 1.027 447 T CA -1.110 60.666 62.100 -0.540 0.000 0.988 447 T CB 1.573 70.036 68.868 -0.675 0.000 1.043 447 T HN 0.668 nan 8.240 nan 0.000 0.461 448 Q N 2.066 121.748 119.800 -0.197 0.000 2.292 448 Q HA 0.549 4.890 4.340 0.001 0.000 0.270 448 Q C -1.171 174.676 176.000 -0.255 0.000 1.024 448 Q CA -0.625 54.978 55.803 -0.332 0.000 0.768 448 Q CB 2.599 31.030 28.738 -0.513 0.000 1.250 448 Q HN 0.718 nan 8.270 nan 0.000 0.447 449 I N 3.879 124.274 120.570 -0.292 0.000 2.495 449 I HA 0.371 4.542 4.170 0.001 0.000 0.277 449 I C -0.311 175.693 176.117 -0.188 0.000 1.045 449 I CA -0.266 60.771 61.300 -0.438 0.000 1.135 449 I CB 0.393 38.011 38.000 -0.636 0.000 1.241 449 I HN 0.772 nan 8.210 nan 0.000 0.469 450 H N 3.979 122.867 119.070 -0.303 0.000 3.150 450 H HA 0.658 5.214 4.556 0.001 0.000 0.270 450 H C -1.140 174.108 175.328 -0.133 0.000 1.573 450 H CA -1.337 54.601 56.048 -0.184 0.000 1.195 450 H CB 1.418 31.094 29.762 -0.143 0.000 1.874 450 H HN 0.122 nan 8.280 nan 0.000 0.691 451 R N 1.255 121.578 120.500 -0.296 0.000 2.574 451 R HA 0.281 4.621 4.340 0.001 0.000 0.288 451 R C -1.636 174.400 176.300 -0.439 0.000 1.004 451 R CA -0.585 55.313 56.100 -0.336 0.000 0.895 451 R CB 1.898 32.133 30.300 -0.110 0.000 1.191 451 R HN 0.909 nan 8.270 nan 0.000 0.444 452 D N 0.345 120.500 120.400 -0.409 0.000 2.566 452 D HA 0.458 5.099 4.640 0.001 0.000 0.254 452 D C -0.492 175.782 176.300 -0.044 0.000 1.090 452 D CA -0.845 53.017 54.000 -0.229 0.000 1.034 452 D CB 0.620 41.284 40.800 -0.226 0.000 1.434 452 D HN 0.412 nan 8.370 nan 0.000 0.509 453 A N -0.189 122.635 122.820 0.005 0.000 2.591 453 A HA 0.336 4.657 4.320 0.001 0.000 0.244 453 A C -0.715 176.932 177.584 0.105 0.000 1.031 453 A CA 0.388 52.477 52.037 0.086 0.000 0.767 453 A CB -0.869 18.214 19.000 0.139 0.000 0.942 453 A HN 0.494 nan 8.150 nan 0.000 0.514 454 F N 1.852 121.735 119.950 -0.111 0.000 2.596 454 F HA 0.451 4.979 4.527 0.001 0.000 0.311 454 F C 0.270 175.855 175.800 -0.357 0.000 1.116 454 F CA -0.246 57.576 58.000 -0.297 0.000 0.957 454 F CB 1.923 40.634 39.000 -0.482 0.000 1.250 454 F HN 0.549 nan 8.300 nan 0.000 0.444 455 S N 4.279 119.396 115.700 -0.971 0.000 2.681 455 S HA 0.344 4.815 4.470 0.001 0.000 0.313 455 S C -1.076 173.190 174.600 -0.558 0.000 1.137 455 S CA -0.389 57.440 58.200 -0.618 0.000 1.045 455 S CB -0.769 62.102 63.200 -0.547 0.000 1.208 455 S HN 0.449 nan 8.310 nan 0.000 0.523 456 Y N 2.165 122.499 120.300 0.057 0.000 2.336 456 Y HA 0.482 5.033 4.550 0.001 0.000 0.335 456 Y C 1.500 177.451 175.900 0.086 0.000 1.046 456 Y CA -0.148 58.072 58.100 0.200 0.000 1.198 456 Y CB 0.351 38.959 38.460 0.247 0.000 1.182 456 Y HN 0.800 nan 8.280 nan 0.000 0.502 457 G N 1.263 110.204 108.800 0.235 0.000 2.647 457 G HA2 0.186 4.146 3.960 0.001 0.000 0.234 457 G HA3 0.186 4.146 3.960 0.001 0.000 0.234 457 G C 0.934 175.926 174.900 0.154 0.000 1.252 457 G CA 0.017 45.207 45.100 0.149 0.000 0.846 457 G HN 0.930 nan 8.290 nan 0.000 0.589 458 A N 0.924 123.802 122.820 0.096 0.000 2.019 458 A HA 0.012 4.332 4.320 0.001 0.000 0.219 458 A C 2.430 180.055 177.584 0.069 0.000 1.164 458 A CA 1.830 53.913 52.037 0.076 0.000 0.644 458 A CB -0.236 18.795 19.000 0.051 0.000 0.805 458 A HN 0.544 nan 8.150 nan 0.000 0.449 459 V N -0.416 119.543 119.914 0.075 0.000 2.446 459 V HA -0.218 3.903 4.120 0.001 0.000 0.244 459 V C 2.480 178.614 176.094 0.066 0.000 1.039 459 V CA 1.772 64.108 62.300 0.061 0.000 1.045 459 V CB -0.758 31.098 31.823 0.056 0.000 0.681 459 V HN 0.623 nan 8.190 nan 0.000 0.459 460 Q N -0.153 119.714 119.800 0.112 0.000 2.181 460 Q HA -0.267 4.074 4.340 0.001 0.000 0.205 460 Q C 2.089 178.090 176.000 0.002 0.000 0.980 460 Q CA 1.412 57.281 55.803 0.109 0.000 0.862 460 Q CB -0.225 28.693 28.738 0.301 0.000 0.905 460 Q HN 0.675 nan 8.270 nan 0.000 0.429 461 Q N -0.263 119.562 119.800 0.042 0.000 2.541 461 Q HA -0.046 4.295 4.340 0.001 0.000 0.215 461 Q C 1.765 177.750 176.000 -0.025 0.000 0.977 461 Q CA 0.462 56.260 55.803 -0.008 0.000 0.934 461 Q CB 0.071 28.843 28.738 0.057 0.000 0.988 461 Q HN 0.145 nan 8.270 nan 0.000 0.521 462 S N -0.143 115.550 115.700 -0.011 0.000 2.496 462 S HA 0.035 4.505 4.470 0.001 0.000 0.224 462 S C 0.736 175.320 174.600 -0.026 0.000 0.996 462 S CA 0.005 58.200 58.200 -0.008 0.000 0.927 462 S CB 0.339 63.543 63.200 0.007 0.000 0.774 462 S HN 0.133 nan 8.310 nan 0.000 0.524 463 I N 2.863 123.399 120.570 -0.057 0.000 2.365 463 I HA 0.262 4.432 4.170 0.001 0.000 0.291 463 I C 0.341 176.405 176.117 -0.088 0.000 1.004 463 I CA -0.848 60.413 61.300 -0.064 0.000 1.311 463 I CB 0.883 38.838 38.000 -0.074 0.000 1.401 463 I HN 0.172 nan 8.210 nan 0.000 0.491 464 D N 4.179 124.550 120.400 -0.048 0.000 2.493 464 D HA -0.067 4.574 4.640 0.001 0.000 0.240 464 D C 1.238 177.500 176.300 -0.064 0.000 1.142 464 D CA 0.215 54.194 54.000 -0.035 0.000 0.872 464 D CB 1.182 41.986 40.800 0.006 0.000 1.173 464 D HN 0.660 nan 8.370 nan 0.000 0.467 465 S N 4.374 120.033 115.700 -0.069 0.000 2.419 465 S HA -0.188 4.282 4.470 0.001 0.000 0.233 465 S C 1.691 176.269 174.600 -0.037 0.000 1.016 465 S CA 0.603 58.752 58.200 -0.084 0.000 0.974 465 S CB -0.065 63.105 63.200 -0.049 0.000 0.786 465 S HN 0.561 nan 8.310 nan 0.000 0.492 466 R N 0.747 121.238 120.500 -0.015 0.000 2.200 466 R HA 0.123 4.464 4.340 0.001 0.000 0.234 466 R C 1.838 178.124 176.300 -0.024 0.000 1.127 466 R CA 1.265 57.354 56.100 -0.020 0.000 0.989 466 R CB -0.553 29.726 30.300 -0.034 0.000 0.869 466 R HN 0.464 nan 8.270 nan 0.000 0.459 467 L N 0.245 121.453 121.223 -0.025 0.000 2.446 467 L HA 0.128 4.468 4.340 0.001 0.000 0.219 467 L C 0.715 177.583 176.870 -0.004 0.000 1.116 467 L CA 0.098 54.929 54.840 -0.015 0.000 0.844 467 L CB 0.114 42.163 42.059 -0.018 0.000 0.970 467 L HN 0.047 nan 8.230 nan 0.000 0.457 468 I N 0.390 120.950 120.570 -0.017 0.000 2.395 468 I HA 0.183 4.354 4.170 0.001 0.000 0.289 468 I C -0.545 175.582 176.117 0.017 0.000 1.023 468 I CA -0.261 61.038 61.300 -0.001 0.000 1.350 468 I CB 1.427 39.404 38.000 -0.040 0.000 1.409 468 I HN -0.276 nan 8.210 nan 0.000 0.507 469 V N 5.011 124.955 119.914 0.051 0.000 2.588 469 V HA 0.316 4.437 4.120 0.001 0.000 0.304 469 V C -0.771 175.317 176.094 -0.010 0.000 1.042 469 V CA -0.872 61.427 62.300 -0.002 0.000 0.877 469 V CB 2.084 33.913 31.823 0.009 0.000 0.996 469 V HN 0.584 nan 8.190 nan 0.000 0.425 470 D N 2.718 123.043 120.400 -0.124 0.000 2.210 470 D HA 0.463 5.103 4.640 0.001 0.000 0.249 470 D C -0.991 175.208 176.300 -0.169 0.000 1.062 470 D CA 0.062 54.023 54.000 -0.066 0.000 0.891 470 D CB 1.378 42.175 40.800 -0.005 0.000 1.186 470 D HN 0.437 nan 8.370 nan 0.000 0.432 471 W N 1.351 122.618 121.300 -0.055 0.000 2.600 471 W HA 0.460 5.120 4.660 0.001 0.000 0.325 471 W C 0.226 176.772 176.519 0.045 0.000 1.034 471 W CA -0.853 56.499 57.345 0.012 0.000 1.226 471 W CB 1.318 30.668 29.460 -0.183 0.000 1.379 471 W HN -0.067 nan 8.180 nan 0.000 0.466 472 R N 2.973 123.678 120.500 0.341 0.000 2.502 472 R HA 0.473 4.813 4.340 0.001 0.000 0.298 472 R C -1.584 174.881 176.300 0.275 0.000 1.018 472 R CA -0.829 55.372 56.100 0.168 0.000 0.899 472 R CB 1.548 31.914 30.300 0.110 0.000 1.181 472 R HN 0.177 nan 8.270 nan 0.000 0.444 473 F N 3.103 122.909 119.950 -0.240 0.000 2.458 473 F HA 0.502 5.030 4.527 0.001 0.000 0.336 473 F C -0.288 175.386 175.800 -0.209 0.000 1.114 473 F CA -1.449 56.490 58.000 -0.101 0.000 0.987 473 F CB 1.045 39.947 39.000 -0.163 0.000 1.130 473 F HN 0.292 nan 8.300 nan 0.000 0.458 474 F N 1.342 121.480 119.950 0.313 0.000 2.449 474 F HA 0.657 5.184 4.527 0.001 0.000 0.342 474 F C 0.653 176.660 175.800 0.345 0.000 1.127 474 F CA -1.121 57.064 58.000 0.308 0.000 0.975 474 F CB 1.417 40.646 39.000 0.382 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.444 475 G N 2.037 111.091 108.800 0.422 0.000 2.477 475 G HA2 0.627 4.588 3.960 0.001 0.000 0.304 475 G HA3 0.627 4.588 3.960 0.001 0.000 0.304 475 G C -0.877 174.214 174.900 0.319 0.000 1.175 475 G CA -1.074 44.253 45.100 0.379 0.000 0.907 475 G HN 0.716 nan 8.290 nan 0.000 0.509 476 R N -0.738 119.943 120.500 0.302 0.000 2.428 476 R HA 0.641 4.981 4.340 0.001 0.000 0.294 476 R C -0.996 175.399 176.300 0.159 0.000 1.000 476 R CA -0.545 55.655 56.100 0.168 0.000 0.960 476 R CB 1.276 31.692 30.300 0.194 0.000 1.076 476 R HN 0.264 nan 8.270 nan 0.000 0.475 477 T N 2.118 116.732 114.554 0.101 0.000 2.792 477 T HA 0.117 4.467 4.350 0.001 0.000 0.280 477 T C -0.691 174.084 174.700 0.125 0.000 0.990 477 T CA -0.646 61.562 62.100 0.180 0.000 0.960 477 T CB 1.367 70.418 68.868 0.304 0.000 0.939 477 T HN 0.682 nan 8.240 nan 0.000 0.439 478 E N 4.646 124.923 120.200 0.128 0.000 2.376 478 E HA 0.121 4.472 4.350 0.001 0.000 0.266 478 E C -2.180 174.491 176.600 0.120 0.000 1.009 478 E CA -1.645 54.820 56.400 0.109 0.000 0.902 478 E CB 0.504 30.261 29.700 0.094 0.000 0.972 478 E HN 0.183 nan 8.360 nan 0.000 0.439 479 P HA 0.113 nan 4.420 nan 0.000 0.276 479 P C -1.262 176.191 177.300 0.255 0.000 1.253 479 P CA 0.041 63.275 63.100 0.223 0.000 0.766 479 P CB 0.624 32.476 31.700 0.253 0.000 0.845 480 K N 2.793 123.284 120.400 0.152 0.000 2.397 480 K HA 0.163 4.484 4.320 0.001 0.000 0.253 480 K C 0.995 177.429 176.600 -0.276 0.000 0.932 480 K CA -0.693 55.600 56.287 0.010 0.000 0.795 480 K CB 2.310 34.778 32.500 -0.052 0.000 1.159 480 K HN 0.449 nan 8.250 nan 0.000 0.424 481 E N 2.244 122.124 120.200 -0.533 0.000 2.130 481 E HA -0.244 4.106 4.350 0.001 0.000 0.196 481 E C 1.041 177.382 176.600 -0.431 0.000 0.998 481 E CA 1.695 57.537 56.400 -0.930 0.000 0.806 481 E CB 0.469 29.866 29.700 -0.506 0.000 0.738 481 E HN 0.547 nan 8.360 nan 0.000 0.459 482 E N 0.277 120.333 120.200 -0.240 0.000 2.347 482 E HA -0.108 4.243 4.350 0.001 0.000 0.196 482 E C -0.011 176.528 176.600 -0.103 0.000 1.008 482 E CA 0.317 56.631 56.400 -0.142 0.000 0.852 482 E CB -0.237 29.396 29.700 -0.110 0.000 0.783 482 E HN 0.082 nan 8.360 nan 0.000 0.505 483 N N 2.012 120.640 118.700 -0.120 0.000 2.406 483 N HA 0.181 4.921 4.740 0.001 0.000 0.251 483 N C -0.770 174.795 175.510 0.092 0.000 1.069 483 N CA 0.100 53.135 53.050 -0.024 0.000 0.947 483 N CB 1.101 39.539 38.487 -0.081 0.000 1.111 483 N HN 0.107 nan 8.380 nan 0.000 0.497 484 K N 1.248 121.755 120.400 0.178 0.000 2.426 484 K HA 0.454 4.774 4.320 0.001 0.000 0.251 484 K C -1.082 175.671 176.600 0.254 0.000 0.941 484 K CA -0.942 55.471 56.287 0.210 0.000 0.808 484 K CB 2.465 35.097 32.500 0.220 0.000 1.265 484 K HN 0.187 nan 8.250 nan 0.000 0.432 485 L N 4.008 125.333 121.223 0.169 0.000 2.305 485 L HA 0.562 4.902 4.340 0.001 0.000 0.284 485 L C -1.232 175.590 176.870 -0.080 0.000 1.013 485 L CA -0.077 54.708 54.840 -0.091 0.000 0.819 485 L CB 0.509 42.519 42.059 -0.082 0.000 1.227 485 L HN 0.696 nan 8.230 nan 0.000 0.417 486 W N 3.584 124.613 121.300 -0.453 0.000 3.017 486 W HA 0.647 5.307 4.660 0.001 0.000 0.341 486 W C -2.178 173.893 176.519 -0.747 0.000 1.180 486 W CA -1.212 55.913 57.345 -0.368 0.000 1.097 486 W CB 0.926 30.314 29.460 -0.120 0.000 1.468 486 W HN 0.336 nan 8.180 nan 0.000 0.584 487 F N 1.524 121.671 119.950 0.330 0.000 2.529 487 F HA 0.338 4.865 4.527 0.001 0.000 0.320 487 F C 0.766 176.733 175.800 0.277 0.000 1.118 487 F CA -0.874 57.197 58.000 0.119 0.000 0.915 487 F CB 2.139 41.189 39.000 0.083 0.000 1.161 487 F HN 0.274 nan 8.300 nan 0.000 0.445 488 S N 0.961 116.811 115.700 0.250 0.000 2.572 488 S HA 0.072 4.543 4.470 0.001 0.000 0.279 488 S C 0.717 175.465 174.600 0.246 0.000 1.341 488 S CA -0.452 57.926 58.200 0.297 0.000 1.043 488 S CB 0.416 63.695 63.200 0.131 0.000 0.887 488 S HN 0.689 nan 8.310 nan 0.000 0.516 489 D N 2.367 122.897 120.400 0.216 0.000 2.339 489 D HA 0.143 4.784 4.640 0.001 0.000 0.217 489 D C 0.945 177.306 176.300 0.102 0.000 1.050 489 D CA 0.288 54.370 54.000 0.137 0.000 0.856 489 D CB 0.223 41.086 40.800 0.104 0.000 0.922 489 D HN 0.405 nan 8.370 nan 0.000 0.518 490 K N -0.119 120.346 120.400 0.108 0.000 2.485 490 K HA 0.135 4.456 4.320 0.001 0.000 0.200 490 K C 0.070 176.713 176.600 0.071 0.000 1.344 490 K CA -0.107 56.227 56.287 0.079 0.000 0.948 490 K CB 0.872 33.418 32.500 0.076 0.000 1.454 490 K HN -0.016 nan 8.250 nan 0.000 0.502 491 I N 3.849 124.464 120.570 0.075 0.000 2.529 491 I HA 0.080 4.250 4.170 0.001 0.000 0.284 491 I C 0.581 176.734 176.117 0.060 0.000 1.082 491 I CA 0.232 61.565 61.300 0.055 0.000 1.406 491 I CB 0.857 38.878 38.000 0.035 0.000 1.405 491 I HN 0.225 nan 8.210 nan 0.000 0.548 492 T N 1.652 116.238 114.554 0.053 0.000 2.924 492 T HA 0.581 4.931 4.350 0.001 0.000 0.291 492 T C -0.327 174.409 174.700 0.060 0.000 1.045 492 T CA -0.943 61.195 62.100 0.064 0.000 1.015 492 T CB 2.405 71.308 68.868 0.057 0.000 1.103 492 T HN 0.546 nan 8.240 nan 0.000 0.496 493 D N 0.725 121.178 120.400 0.088 0.000 2.478 493 D HA 0.470 5.110 4.640 0.001 0.000 0.274 493 D C 1.595 177.940 176.300 0.075 0.000 1.234 493 D CA -0.459 53.600 54.000 0.098 0.000 1.069 493 D CB 0.070 40.966 40.800 0.160 0.000 1.113 493 D HN 0.638 nan 8.370 nan 0.000 0.571 494 A N -1.314 121.546 122.820 0.068 0.000 2.067 494 A HA -0.112 4.209 4.320 0.001 0.000 0.219 494 A C 1.233 178.663 177.584 -0.257 0.000 1.158 494 A CA 0.865 52.848 52.037 -0.090 0.000 0.661 494 A CB -0.956 17.965 19.000 -0.131 0.000 0.801 494 A HN 0.548 nan 8.150 nan 0.000 0.452 495 Y N -1.037 119.285 120.300 0.036 0.000 2.625 495 Y HA 0.226 4.776 4.550 0.001 0.000 0.285 495 Y C 0.879 176.807 175.900 0.047 0.000 1.168 495 Y CA -0.159 57.964 58.100 0.039 0.000 1.250 495 Y CB -0.361 38.108 38.460 0.015 0.000 1.130 495 Y HN 0.452 nan 8.280 nan 0.000 0.526 496 N N -0.004 118.760 118.700 0.107 0.000 2.725 496 N HA -0.184 4.557 4.740 0.001 0.000 0.249 496 N C -0.719 174.844 175.510 0.087 0.000 1.103 496 N CA 0.577 53.673 53.050 0.078 0.000 0.707 496 N CB -0.576 37.943 38.487 0.054 0.000 1.043 496 N HN 0.126 nan 8.380 nan 0.000 0.553 497 M N -0.179 119.490 119.600 0.116 0.000 2.598 497 M HA 0.450 4.931 4.480 0.001 0.000 0.317 497 M C -2.070 174.297 176.300 0.111 0.000 1.201 497 M CA -2.074 53.284 55.300 0.097 0.000 0.971 497 M CB 0.702 33.363 32.600 0.101 0.000 1.657 497 M HN -0.207 nan 8.290 nan 0.000 0.470 498 P HA -0.012 nan 4.420 nan 0.000 0.261 498 P C -0.588 176.869 177.300 0.262 0.000 1.183 498 P CA 0.093 63.292 63.100 0.166 0.000 0.761 498 P CB 0.160 31.960 31.700 0.166 0.000 0.785 499 Q N 7.025 126.922 119.800 0.161 0.000 2.271 499 Q HA 0.146 4.486 4.340 0.001 0.000 0.273 499 Q C -2.234 173.730 176.000 -0.060 0.000 1.051 499 Q CA -1.855 53.990 55.803 0.069 0.000 0.901 499 Q CB -0.271 28.458 28.738 -0.014 0.000 1.174 499 Q HN 0.302 nan 8.270 nan 0.000 0.385 500 P HA 0.098 nan 4.420 nan 0.000 0.271 500 P C -1.070 175.736 177.300 -0.823 0.000 1.216 500 P CA -0.091 62.581 63.100 -0.713 0.000 0.776 500 P CB 0.957 32.314 31.700 -0.571 0.000 0.881 501 T N 2.949 116.785 114.554 -1.197 0.000 2.921 501 T HA 0.494 4.845 4.350 0.001 0.000 0.297 501 T C -0.564 173.441 174.700 -1.159 0.000 1.013 501 T CA -0.137 61.250 62.100 -1.188 0.000 0.990 501 T CB 0.473 68.340 68.868 -1.668 0.000 1.023 501 T HN 0.047 nan 8.240 nan 0.000 0.447 502 F N 1.972 121.637 119.950 -0.476 0.000 2.397 502 F HA 0.532 5.060 4.527 0.001 0.000 0.331 502 F C 0.671 176.414 175.800 -0.096 0.000 1.090 502 F CA -0.934 56.918 58.000 -0.247 0.000 1.065 502 F CB 1.074 39.978 39.000 -0.160 0.000 1.184 502 F HN 0.406 nan 8.300 nan 0.000 0.499 503 D N 3.252 123.816 120.400 0.273 0.000 2.420 503 D HA 0.237 4.877 4.640 0.001 0.000 0.255 503 D C -1.800 174.629 176.300 0.215 0.000 1.185 503 D CA -0.120 54.026 54.000 0.243 0.000 0.904 503 D CB 0.360 41.334 40.800 0.290 0.000 1.102 503 D HN 0.292 nan 8.370 nan 0.000 0.534 504 F N 3.430 123.372 119.950 -0.014 0.000 2.574 504 F HA 0.577 5.105 4.527 0.001 0.000 0.313 504 F C -1.250 174.446 175.800 -0.175 0.000 1.130 504 F CA -0.607 57.320 58.000 -0.121 0.000 0.936 504 F CB 1.364 40.227 39.000 -0.228 0.000 1.219 504 F HN 0.033 nan 8.300 nan 0.000 0.445 505 R N 4.516 124.519 120.500 -0.829 0.000 2.673 505 R HA 0.350 4.691 4.340 0.001 0.000 0.281 505 R C -1.582 174.113 176.300 -1.009 0.000 0.991 505 R CA -0.973 54.743 56.100 -0.640 0.000 0.896 505 R CB 1.664 31.798 30.300 -0.278 0.000 1.201 505 R HN 0.579 nan 8.270 nan 0.000 0.457 506 F N 3.078 122.825 119.950 -0.338 0.000 2.602 506 F HA 0.122 4.650 4.527 0.001 0.000 0.385 506 F C -1.265 174.416 175.800 -0.199 0.000 1.063 506 F CA -0.849 57.030 58.000 -0.201 0.000 1.233 506 F CB -0.234 38.763 39.000 -0.005 0.000 1.067 506 F HN 0.143 nan 8.300 nan 0.000 0.564 507 P HA 0.130 nan 4.420 nan 0.000 0.266 507 P C -0.520 176.794 177.300 0.023 0.000 1.195 507 P CA -0.217 62.862 63.100 -0.035 0.000 0.768 507 P CB 0.532 32.224 31.700 -0.012 0.000 0.838 508 A N 2.663 125.483 122.820 0.000 0.000 2.429 508 A HA 0.520 4.840 4.320 0.001 0.000 0.242 508 A C 1.158 178.758 177.584 0.026 0.000 1.088 508 A CA 0.856 52.900 52.037 0.012 0.000 0.784 508 A CB -1.064 17.936 19.000 -0.001 0.000 1.038 508 A HN 0.842 nan 8.150 nan 0.000 0.501 509 G N -0.010 108.808 108.800 0.029 0.000 2.496 509 G HA2 -0.264 3.697 3.960 0.001 0.000 0.243 509 G HA3 -0.264 3.697 3.960 0.001 0.000 0.243 509 G C 1.040 175.972 174.900 0.052 0.000 1.176 509 G CA 0.811 45.933 45.100 0.037 0.000 0.940 509 G HN 1.048 nan 8.290 nan 0.000 0.573 510 R N -0.183 120.354 120.500 0.061 0.000 2.096 510 R HA -0.109 4.232 4.340 0.001 0.000 0.240 510 R C 2.809 179.167 176.300 0.096 0.000 1.139 510 R CA 2.855 59.002 56.100 0.078 0.000 0.952 510 R CB -0.928 29.419 30.300 0.080 0.000 0.854 510 R HN 0.632 nan 8.270 nan 0.000 0.436 511 T N 0.006 114.621 114.554 0.101 0.000 2.684 511 T HA -0.113 4.238 4.350 0.001 0.000 0.267 511 T C 1.940 176.700 174.700 0.100 0.000 1.036 511 T CA 1.804 63.979 62.100 0.126 0.000 1.148 511 T CB -0.178 68.783 68.868 0.156 0.000 0.863 511 T HN 0.281 nan 8.240 nan 0.000 0.436 512 S N 0.620 116.363 115.700 0.072 0.000 2.357 512 S HA -0.038 4.432 4.470 0.001 0.000 0.221 512 S C 2.024 176.644 174.600 0.032 0.000 1.031 512 S CA 1.003 59.218 58.200 0.026 0.000 0.982 512 S CB -0.209 63.001 63.200 0.016 0.000 0.853 512 S HN 0.518 nan 8.310 nan 0.000 0.458 513 K N 1.431 121.864 120.400 0.054 0.000 2.032 513 K HA -0.174 4.146 4.320 0.001 0.000 0.209 513 K C 1.889 178.551 176.600 0.103 0.000 1.048 513 K CA 1.651 57.978 56.287 0.067 0.000 0.927 513 K CB -0.192 32.350 32.500 0.069 0.000 0.712 513 K HN 0.349 nan 8.250 nan 0.000 0.441 514 E N -0.103 120.182 120.200 0.142 0.000 2.110 514 E HA -0.195 4.156 4.350 0.001 0.000 0.193 514 E C 1.955 178.658 176.600 0.170 0.000 0.988 514 E CA 1.004 57.546 56.400 0.236 0.000 0.804 514 E CB -0.117 29.750 29.700 0.279 0.000 0.745 514 E HN 0.485 nan 8.360 nan 0.000 0.458 515 A N 1.307 124.193 122.820 0.111 0.000 1.877 515 A HA -0.246 4.075 4.320 0.001 0.000 0.216 515 A C 2.084 179.738 177.584 0.116 0.000 1.186 515 A CA 1.775 53.874 52.037 0.103 0.000 0.620 515 A CB -0.382 18.642 19.000 0.040 0.000 0.822 515 A HN 0.155 nan 8.150 nan 0.000 0.443 516 E N 0.525 120.784 120.200 0.098 0.000 2.106 516 E HA -0.161 4.190 4.350 0.001 0.000 0.192 516 E C 1.296 177.881 176.600 -0.025 0.000 0.984 516 E CA 1.536 57.988 56.400 0.086 0.000 0.806 516 E CB -0.290 29.443 29.700 0.055 0.000 0.750 516 E HN 0.521 nan 8.360 nan 0.000 0.458 517 D N -0.024 120.363 120.400 -0.021 0.000 2.149 517 D HA -0.195 4.446 4.640 0.001 0.000 0.198 517 D C 1.907 177.968 176.300 -0.398 0.000 0.990 517 D CA 1.273 55.242 54.000 -0.052 0.000 0.839 517 D CB -0.338 40.562 40.800 0.167 0.000 0.948 517 D HN 0.336 nan 8.370 nan 0.000 0.460 518 M N -0.296 118.868 119.600 -0.727 0.000 2.086 518 M HA -0.198 4.282 4.480 0.001 0.000 0.261 518 M C 2.080 177.964 176.300 -0.694 0.000 1.067 518 M CA 1.235 55.748 55.300 -1.310 0.000 1.116 518 M CB -0.012 32.075 32.600 -0.855 0.000 1.348 518 M HN -0.035 nan 8.290 nan 0.000 0.407 519 M N 0.440 119.754 119.600 -0.476 0.000 2.073 519 M HA -0.185 4.296 4.480 0.001 0.000 0.258 519 M C 1.807 177.896 176.300 -0.351 0.000 1.070 519 M CA 2.538 57.563 55.300 -0.459 0.000 1.103 519 M CB -1.010 31.381 32.600 -0.347 0.000 1.321 519 M HN 0.293 nan 8.290 nan 0.000 0.405 520 T N -0.104 114.310 114.554 -0.232 0.000 2.746 520 T HA -0.157 4.193 4.350 0.001 0.000 0.267 520 T C 1.486 176.112 174.700 -0.123 0.000 1.039 520 T CA 1.712 63.729 62.100 -0.138 0.000 1.142 520 T CB -0.613 68.217 68.868 -0.063 0.000 0.866 520 T HN 0.523 nan 8.240 nan 0.000 0.444 521 D N 0.665 120.985 120.400 -0.133 0.000 2.104 521 D HA -0.095 4.545 4.640 0.001 0.000 0.194 521 D C 2.049 178.346 176.300 -0.006 0.000 0.994 521 D CA 1.004 55.036 54.000 0.053 0.000 0.830 521 D CB -0.228 40.702 40.800 0.218 0.000 0.959 521 D HN 0.274 nan 8.370 nan 0.000 0.452 522 M N -0.513 118.863 119.600 -0.375 0.000 2.117 522 M HA -0.177 4.303 4.480 0.001 0.000 0.262 522 M C 2.000 178.015 176.300 -0.475 0.000 1.065 522 M CA 1.306 56.128 55.300 -0.797 0.000 1.114 522 M CB -0.134 31.737 32.600 -1.216 0.000 1.361 522 M HN 0.211 nan 8.290 nan 0.000 0.408 523 C N -0.448 118.668 119.300 -0.306 0.000 2.429 523 C HA -0.117 4.344 4.460 0.001 0.000 0.277 523 C C 2.661 177.560 174.990 -0.151 0.000 1.262 523 C CA 0.860 59.798 59.018 -0.133 0.000 1.733 523 C CB -1.001 26.706 27.740 -0.055 0.000 2.010 523 C HN 0.487 nan 8.230 nan 0.000 0.483 524 V N 0.544 120.399 119.914 -0.098 0.000 2.270 524 V HA -0.286 3.835 4.120 0.001 0.000 0.245 524 V C 2.411 178.485 176.094 -0.034 0.000 1.043 524 V CA 2.288 64.562 62.300 -0.044 0.000 1.014 524 V CB -0.662 31.184 31.823 0.040 0.000 0.645 524 V HN 0.583 nan 8.190 nan 0.000 0.447 525 M N 0.700 120.323 119.600 0.039 0.000 2.132 525 M HA -0.159 4.321 4.480 0.001 0.000 0.263 525 M C 2.440 178.626 176.300 -0.190 0.000 1.065 525 M CA 2.319 57.717 55.300 0.164 0.000 1.122 525 M CB -0.181 32.671 32.600 0.420 0.000 1.365 525 M HN 0.560 nan 8.290 nan 0.000 0.411 526 S N 0.473 115.749 115.700 -0.707 0.000 2.402 526 S HA -0.027 4.444 4.470 0.001 0.000 0.229 526 S C 1.998 176.190 174.600 -0.681 0.000 1.021 526 S CA 0.892 58.234 58.200 -1.431 0.000 0.974 526 S CB -0.836 61.260 63.200 -1.840 0.000 0.800 526 S HN 0.567 nan 8.310 nan 0.000 0.484 527 A N 2.114 124.646 122.820 -0.479 0.000 2.076 527 A HA -0.053 4.268 4.320 0.001 0.000 0.220 527 A C 2.162 179.616 177.584 -0.216 0.000 1.160 527 A CA 1.416 53.234 52.037 -0.365 0.000 0.653 527 A CB -0.576 18.239 19.000 -0.308 0.000 0.801 527 A HN 0.639 nan 8.150 nan 0.000 0.455 528 K N -0.775 119.542 120.400 -0.139 0.000 2.288 528 K HA 0.009 4.330 4.320 0.001 0.000 0.201 528 K C 1.169 177.760 176.600 -0.016 0.000 1.048 528 K CA 0.800 57.054 56.287 -0.054 0.000 0.956 528 K CB -0.021 32.487 32.500 0.013 0.000 0.746 528 K HN 0.415 nan 8.250 nan 0.000 0.461 529 I N -0.735 119.835 120.570 0.001 0.000 3.039 529 I HA 0.148 4.319 4.170 0.001 0.000 0.270 529 I C 1.120 177.246 176.117 0.015 0.000 1.150 529 I CA 0.604 61.953 61.300 0.082 0.000 1.448 529 I CB -0.039 38.150 38.000 0.315 0.000 1.197 529 I HN 0.077 nan 8.210 nan 0.000 0.450 530 G N -0.636 108.117 108.800 -0.078 0.000 2.368 530 G HA2 0.470 4.430 3.960 0.001 0.000 0.293 530 G HA3 0.470 4.430 3.960 0.001 0.000 0.293 530 G C -0.593 174.157 174.900 -0.250 0.000 1.467 530 G CA -0.168 44.865 45.100 -0.112 0.000 0.804 530 G HN 0.289 nan 8.290 nan 0.000 0.535 531 G N -1.011 107.636 108.800 -0.256 0.000 2.606 531 G HA2 0.516 4.477 3.960 0.001 0.000 0.252 531 G HA3 0.516 4.477 3.960 0.001 0.000 0.252 531 G C -0.159 174.547 174.900 -0.322 0.000 1.206 531 G CA -0.428 44.431 45.100 -0.401 0.000 0.861 531 G HN 0.445 nan 8.290 nan 0.000 0.561 532 F N -0.722 119.134 119.950 -0.157 0.000 2.553 532 F HA 0.197 4.724 4.527 0.001 0.000 0.356 532 F C 0.717 176.458 175.800 -0.100 0.000 1.142 532 F CA -0.721 57.181 58.000 -0.162 0.000 1.322 532 F CB 0.586 39.483 39.000 -0.172 0.000 1.126 532 F HN 0.189 nan 8.300 nan 0.000 0.599 533 L N 5.677 126.969 121.223 0.116 0.000 2.313 533 L HA 0.435 4.776 4.340 0.001 0.000 0.282 533 L C -2.430 174.488 176.870 0.080 0.000 1.092 533 L CA -1.997 52.885 54.840 0.070 0.000 0.831 533 L CB 0.171 42.263 42.059 0.054 0.000 1.159 533 L HN 0.269 nan 8.230 nan 0.000 0.442 534 P HA 0.193 nan 4.420 nan 0.000 0.264 534 P C 0.644 177.999 177.300 0.091 0.000 1.183 534 P CA 0.974 64.115 63.100 0.069 0.000 0.763 534 P CB 0.652 32.385 31.700 0.055 0.000 0.807 535 G N 1.930 110.781 108.800 0.084 0.000 2.205 535 G HA2 -0.250 3.710 3.960 0.001 0.000 0.261 535 G HA3 -0.250 3.710 3.960 0.001 0.000 0.261 535 G C 0.473 175.473 174.900 0.166 0.000 0.980 535 G CA 0.312 45.484 45.100 0.121 0.000 0.632 535 G HN 0.531 nan 8.290 nan 0.000 0.533 536 S N 0.590 116.358 115.700 0.114 0.000 2.617 536 S HA 0.512 4.983 4.470 0.001 0.000 0.237 536 S C 0.474 175.001 174.600 -0.122 0.000 1.142 536 S CA -0.550 57.705 58.200 0.092 0.000 1.167 536 S CB 0.324 63.550 63.200 0.044 0.000 1.068 536 S HN 0.454 nan 8.310 nan 0.000 0.470 537 L N 2.435 123.578 121.223 -0.133 0.000 2.453 537 L HA 0.357 4.697 4.340 0.001 0.000 0.261 537 L C -2.095 174.498 176.870 -0.462 0.000 1.179 537 L CA -2.267 52.357 54.840 -0.360 0.000 0.813 537 L CB 0.023 41.936 42.059 -0.242 0.000 1.110 537 L HN 0.057 nan 8.230 nan 0.000 0.466 538 P HA 0.008 nan 4.420 nan 0.000 0.263 538 P C -1.399 175.683 177.300 -0.363 0.000 1.195 538 P CA 0.131 62.856 63.100 -0.625 0.000 0.762 538 P CB 0.425 31.653 31.700 -0.787 0.000 0.799 539 Q N 1.674 121.304 119.800 -0.283 0.000 2.472 539 Q HA 0.465 4.805 4.340 0.001 0.000 0.281 539 Q C -1.510 174.370 176.000 -0.200 0.000 0.997 539 Q CA -0.859 54.855 55.803 -0.147 0.000 0.828 539 Q CB 0.652 29.379 28.738 -0.018 0.000 1.443 539 Q HN 0.086 nan 8.270 nan 0.000 0.390 540 F N 1.641 121.541 119.950 -0.084 0.000 2.412 540 F HA 0.315 4.842 4.527 0.001 0.000 0.348 540 F C 0.641 176.411 175.800 -0.051 0.000 1.102 540 F CA -0.354 57.596 58.000 -0.083 0.000 1.196 540 F CB 0.996 39.936 39.000 -0.100 0.000 1.144 540 F HN 0.389 nan 8.300 nan 0.000 0.541 541 M N 2.867 122.526 119.600 0.097 0.000 2.255 541 M HA 0.137 4.618 4.480 0.001 0.000 0.336 541 M C 0.229 176.570 176.300 0.068 0.000 1.135 541 M CA -0.489 54.834 55.300 0.038 0.000 1.145 541 M CB 0.787 33.365 32.600 -0.036 0.000 1.473 541 M HN 0.521 nan 8.290 nan 0.000 0.462 542 K N 2.678 123.093 120.400 0.025 0.000 2.527 542 K HA 0.041 4.362 4.320 0.001 0.000 0.278 542 K C -2.284 174.338 176.600 0.035 0.000 0.981 542 K CA -0.902 55.399 56.287 0.024 0.000 1.009 542 K CB 0.107 32.597 32.500 -0.017 0.000 0.895 542 K HN 0.229 nan 8.250 nan 0.000 0.493 543 P HA 0.026 nan 4.420 nan 0.000 0.266 543 P C 0.163 177.392 177.300 -0.119 0.000 1.215 543 P CA 0.727 63.859 63.100 0.054 0.000 0.763 543 P CB 0.696 32.408 31.700 0.020 0.000 0.806 544 G N 2.727 111.466 108.800 -0.102 0.000 2.213 544 G HA2 -0.308 3.653 3.960 0.001 0.000 0.236 544 G HA3 -0.308 3.653 3.960 0.001 0.000 0.236 544 G C 0.719 175.573 174.900 -0.077 0.000 0.991 544 G CA 0.143 45.144 45.100 -0.164 0.000 0.629 544 G HN 0.522 nan 8.290 nan 0.000 0.517 545 L N 1.144 122.338 121.223 -0.049 0.000 2.191 545 L HA 0.172 4.513 4.340 0.001 0.000 0.212 545 L C 2.801 179.653 176.870 -0.030 0.000 1.103 545 L CA 2.471 57.284 54.840 -0.044 0.000 0.769 545 L CB -0.334 41.692 42.059 -0.055 0.000 0.908 545 L HN 0.499 nan 8.230 nan 0.000 0.438 546 V N 0.060 119.962 119.914 -0.019 0.000 2.568 546 V HA -0.217 3.904 4.120 0.001 0.000 0.253 546 V C 1.548 177.568 176.094 -0.123 0.000 1.072 546 V CA 1.427 63.700 62.300 -0.045 0.000 1.084 546 V CB -0.343 31.503 31.823 0.038 0.000 0.676 546 V HN 0.502 nan 8.190 nan 0.000 0.469 547 L N 0.086 121.306 121.223 -0.005 0.000 3.597 547 L HA -0.245 4.096 4.340 0.001 0.000 0.440 547 L C 0.277 177.305 176.870 0.263 0.000 1.277 547 L CA 0.902 55.800 54.840 0.097 0.000 0.852 547 L CB -2.479 39.661 42.059 0.135 0.000 1.708 547 L HN 0.583 nan 8.230 nan 0.000 0.885 548 H N -0.621 118.555 119.070 0.177 0.000 2.492 548 H HA 0.273 4.830 4.556 0.001 0.000 0.264 548 H C 0.445 175.913 175.328 0.234 0.000 1.150 548 H CA -1.100 55.093 56.048 0.242 0.000 0.962 548 H CB 0.749 30.695 29.762 0.307 0.000 1.766 548 H HN 0.199 nan 8.280 nan 0.000 0.589 549 L N 2.076 123.448 121.223 0.250 0.000 2.559 549 L HA 0.182 4.522 4.340 0.001 0.000 0.274 549 L C 0.621 177.622 176.870 0.219 0.000 1.205 549 L CA 0.700 55.632 54.840 0.154 0.000 0.907 549 L CB 0.244 42.360 42.059 0.094 0.000 1.153 549 L HN 0.295 nan 8.230 nan 0.000 0.490 550 G N 2.103 111.043 108.800 0.234 0.000 2.630 550 G HA2 0.542 4.503 3.960 0.001 0.000 0.296 550 G HA3 0.542 4.503 3.960 0.001 0.000 0.296 550 G C 0.351 175.352 174.900 0.167 0.000 1.285 550 G CA -0.309 44.948 45.100 0.262 0.000 0.958 550 G HN 1.323 nan 8.290 nan 0.000 0.479 551 G N -1.122 107.746 108.800 0.113 0.000 2.162 551 G HA2 -0.248 3.713 3.960 0.001 0.000 0.260 551 G HA3 -0.248 3.713 3.960 0.001 0.000 0.260 551 G C 1.324 176.281 174.900 0.095 0.000 0.976 551 G CA 1.540 46.710 45.100 0.117 0.000 0.655 551 G HN 1.831 nan 8.290 nan 0.000 0.533 552 T N -2.023 112.537 114.554 0.010 0.000 2.995 552 T HA 0.125 4.476 4.350 0.001 0.000 0.269 552 T C 1.098 175.871 174.700 0.121 0.000 1.091 552 T CA 1.896 64.042 62.100 0.077 0.000 1.128 552 T CB -0.275 68.641 68.868 0.081 0.000 0.891 552 T HN 1.550 nan 8.240 nan 0.000 0.492 553 H N -0.267 118.876 119.070 0.122 0.000 2.823 553 H HA 0.442 4.999 4.556 0.001 0.000 0.222 553 H C -0.114 175.255 175.328 0.068 0.000 1.414 553 H CA -1.356 54.738 56.048 0.078 0.000 1.289 553 H CB -0.434 29.340 29.762 0.021 0.000 1.970 553 H HN 0.359 nan 8.280 nan 0.000 0.517 554 R N 0.664 121.247 120.500 0.139 0.000 2.694 554 R HA 0.263 4.604 4.340 0.001 0.000 0.268 554 R C -0.340 176.020 176.300 0.098 0.000 1.061 554 R CA -0.644 55.512 56.100 0.093 0.000 1.133 554 R CB 0.926 31.271 30.300 0.076 0.000 1.020 554 R HN 0.478 nan 8.270 nan 0.000 0.475 555 M N 1.665 121.299 119.600 0.057 0.000 2.274 555 M HA 0.430 4.911 4.480 0.001 0.000 0.344 555 M C -0.486 175.809 176.300 -0.009 0.000 1.161 555 M CA 0.234 55.544 55.300 0.015 0.000 1.126 555 M CB 1.529 34.112 32.600 -0.028 0.000 1.522 555 M HN 0.948 nan 8.290 nan 0.000 0.461 556 G N 2.171 110.977 108.800 0.011 0.000 2.606 556 G HA2 0.436 4.397 3.960 0.001 0.000 0.300 556 G HA3 0.436 4.397 3.960 0.001 0.000 0.300 556 G C -0.918 173.978 174.900 -0.007 0.000 1.360 556 G CA -0.650 44.415 45.100 -0.058 0.000 0.783 556 G HN 0.670 nan 8.290 nan 0.000 0.484 557 F N -0.093 119.953 119.950 0.160 0.000 2.187 557 F HA 0.265 4.794 4.527 0.002 0.000 0.295 557 F C 1.078 177.004 175.800 0.211 0.000 1.091 557 F CA 0.994 59.092 58.000 0.164 0.000 1.308 557 F CB 0.374 39.429 39.000 0.093 0.000 1.030 557 F HN 0.370 nan 8.300 nan 0.000 0.487 558 D N -0.964 119.602 120.400 0.278 0.000 2.629 558 D HA 0.134 4.775 4.640 0.001 0.000 0.250 558 D C 0.741 176.892 176.300 -0.248 0.000 1.126 558 D CA -0.228 53.781 54.000 0.015 0.000 0.852 558 D CB 1.372 42.190 40.800 0.029 0.000 1.335 558 D HN 0.086 nan 8.370 nan 0.000 0.518 559 E N 2.968 122.698 120.200 -0.785 0.000 2.070 559 E HA -0.273 4.078 4.350 0.001 0.000 0.197 559 E C 1.265 177.685 176.600 -0.300 0.000 1.004 559 E CA 1.300 57.185 56.400 -0.858 0.000 0.805 559 E CB 0.289 29.369 29.700 -1.034 0.000 0.744 559 E HN 0.423 nan 8.360 nan 0.000 0.451 560 K N 0.064 120.337 120.400 -0.212 0.000 2.044 560 K HA -0.086 4.234 4.320 0.001 0.000 0.204 560 K C 2.042 178.609 176.600 -0.055 0.000 1.045 560 K CA 1.211 57.441 56.287 -0.095 0.000 0.951 560 K CB 0.113 32.572 32.500 -0.069 0.000 0.738 560 K HN 0.050 nan 8.250 nan 0.000 0.443 561 E N 0.363 120.536 120.200 -0.046 0.000 2.110 561 E HA -0.149 4.202 4.350 0.001 0.000 0.193 561 E C 0.731 177.329 176.600 -0.003 0.000 0.988 561 E CA 1.142 57.538 56.400 -0.007 0.000 0.804 561 E CB 0.136 29.844 29.700 0.014 0.000 0.745 561 E HN 0.333 nan 8.360 nan 0.000 0.458 562 D N 0.129 120.522 120.400 -0.012 0.000 2.363 562 D HA 0.049 4.690 4.640 0.001 0.000 0.214 562 D C -0.683 175.555 176.300 -0.103 0.000 1.093 562 D CA -0.007 53.981 54.000 -0.020 0.000 0.837 562 D CB 0.009 40.836 40.800 0.045 0.000 0.948 562 D HN 0.089 nan 8.370 nan 0.000 0.507 563 N N 0.667 119.304 118.700 -0.105 0.000 2.650 563 N HA -0.197 4.544 4.740 0.001 0.000 0.272 563 N C -0.263 175.171 175.510 -0.126 0.000 1.058 563 N CA 0.571 53.538 53.050 -0.138 0.000 0.765 563 N CB -1.353 36.938 38.487 -0.326 0.000 0.902 563 N HN 0.402 nan 8.380 nan 0.000 0.551 564 C N -3.090 116.210 119.300 0.000 0.000 3.340 564 C HA 0.777 5.238 4.460 0.001 0.000 0.333 564 C C 1.213 176.359 174.990 0.261 0.000 1.464 564 C CA -0.633 58.454 59.018 0.115 0.000 1.337 564 C CB 1.536 29.364 27.740 0.147 0.000 1.740 564 C HN 0.518 nan 8.230 nan 0.000 0.450 565 C N 0.215 119.712 119.300 0.328 0.000 3.095 565 C HA 0.507 4.968 4.460 0.001 0.000 0.472 565 C C 0.640 175.755 174.990 0.209 0.000 1.348 565 C CA 0.666 59.876 59.018 0.321 0.000 2.206 565 C CB -0.210 27.640 27.740 0.185 0.000 3.088 565 C HN 0.983 nan 8.230 nan 0.000 0.599 566 V N 1.384 121.307 119.914 0.015 0.000 2.914 566 V HA 0.718 4.839 4.120 0.001 0.000 0.314 566 V C -0.722 175.039 176.094 -0.554 0.000 1.084 566 V CA -0.624 61.443 62.300 -0.388 0.000 0.963 566 V CB 1.527 33.227 31.823 -0.204 0.000 1.025 566 V HN 0.417 nan 8.190 nan 0.000 0.432 567 N N 0.825 119.014 118.700 -0.852 0.000 2.431 567 N HA 0.262 5.003 4.740 0.001 0.000 0.289 567 N C 1.035 176.404 175.510 -0.236 0.000 1.277 567 N CA 0.240 53.020 53.050 -0.451 0.000 0.972 567 N CB -0.115 38.119 38.487 -0.422 0.000 1.143 567 N HN 0.927 nan 8.380 nan 0.000 0.578 568 T N -4.770 109.694 114.554 -0.149 0.000 3.118 568 T HA 0.028 4.379 4.350 0.001 0.000 0.260 568 T C 0.074 174.699 174.700 -0.126 0.000 1.139 568 T CA 0.572 62.587 62.100 -0.141 0.000 1.085 568 T CB -0.395 68.412 68.868 -0.101 0.000 0.934 568 T HN 0.443 nan 8.240 nan 0.000 0.518 569 D N 1.073 121.388 120.400 -0.141 0.000 2.340 569 D HA 0.182 4.823 4.640 0.001 0.000 0.217 569 D C 0.510 176.804 176.300 -0.009 0.000 1.081 569 D CA 0.106 54.039 54.000 -0.112 0.000 0.842 569 D CB 0.166 40.784 40.800 -0.303 0.000 0.934 569 D HN 0.342 nan 8.370 nan 0.000 0.511 570 S N 0.301 115.966 115.700 -0.058 0.000 3.476 570 S HA -0.254 4.217 4.470 0.001 0.000 0.309 570 S C 0.539 175.131 174.600 -0.012 0.000 1.222 570 S CA 0.450 58.652 58.200 0.004 0.000 0.922 570 S CB -1.391 61.880 63.200 0.117 0.000 1.023 570 S HN 0.466 nan 8.310 nan 0.000 0.591 571 R N 1.134 121.503 120.500 -0.218 0.000 2.297 571 R HA 0.487 4.827 4.340 0.001 0.000 0.308 571 R C -0.056 175.935 176.300 -0.516 0.000 1.029 571 R CA -0.435 55.335 56.100 -0.551 0.000 0.929 571 R CB 0.702 30.638 30.300 -0.608 0.000 1.046 571 R HN 0.135 nan 8.270 nan 0.000 0.461 572 V N 6.003 125.647 119.914 -0.450 0.000 2.585 572 V HA 0.031 4.152 4.120 0.001 0.000 0.296 572 V C 0.185 176.214 176.094 -0.108 0.000 1.035 572 V CA 0.125 62.249 62.300 -0.293 0.000 1.084 572 V CB 0.032 31.665 31.823 -0.316 0.000 0.953 572 V HN 0.573 nan 8.190 nan 0.000 0.483 573 F N 3.678 123.659 119.950 0.051 0.000 2.623 573 F HA 0.391 4.919 4.527 0.001 0.000 0.383 573 F C 1.588 177.506 175.800 0.196 0.000 1.077 573 F CA 1.591 59.647 58.000 0.093 0.000 1.268 573 F CB 0.005 39.055 39.000 0.085 0.000 1.053 573 F HN 0.796 nan 8.300 nan 0.000 0.571 574 G N 2.186 111.160 108.800 0.289 0.000 2.253 574 G HA2 -0.308 3.652 3.960 0.001 0.000 0.251 574 G HA3 -0.308 3.652 3.960 0.001 0.000 0.251 574 G C -0.072 174.754 174.900 -0.123 0.000 0.998 574 G CA -0.392 44.766 45.100 0.097 0.000 0.621 574 G HN 0.434 nan 8.290 nan 0.000 0.524 575 F N 1.417 121.388 119.950 0.035 0.000 2.427 575 F HA 0.560 5.088 4.527 0.001 0.000 0.346 575 F C 1.492 177.273 175.800 -0.031 0.000 1.120 575 F CA -0.750 57.255 58.000 0.008 0.000 1.033 575 F CB 1.644 40.645 39.000 0.001 0.000 1.126 575 F HN -0.112 nan 8.300 nan 0.000 0.462 576 K N 1.436 121.925 120.400 0.147 0.000 2.147 576 K HA -0.125 4.195 4.320 0.001 0.000 0.205 576 K C 0.684 177.482 176.600 0.331 0.000 1.049 576 K CA 1.422 57.838 56.287 0.214 0.000 0.936 576 K CB -0.024 32.607 32.500 0.218 0.000 0.722 576 K HN 0.596 nan 8.250 nan 0.000 0.446 577 N N -0.002 118.855 118.700 0.261 0.000 2.387 577 N HA 0.048 4.788 4.740 0.001 0.000 0.259 577 N C -0.921 174.689 175.510 0.166 0.000 1.369 577 N CA -0.320 52.929 53.050 0.332 0.000 0.867 577 N CB 0.097 38.835 38.487 0.418 0.000 1.341 577 N HN -0.040 nan 8.380 nan 0.000 0.495 578 L N 0.567 121.666 121.223 -0.207 0.000 2.356 578 L HA 0.727 5.068 4.340 0.001 0.000 0.277 578 L C -1.844 174.653 176.870 -0.621 0.000 0.996 578 L CA -0.604 54.101 54.840 -0.225 0.000 0.822 578 L CB 0.999 42.911 42.059 -0.245 0.000 1.256 578 L HN -0.018 nan 8.230 nan 0.000 0.413 579 F N 4.773 124.641 119.950 -0.136 0.000 2.576 579 F HA 0.669 5.197 4.527 0.001 0.000 0.313 579 F C -0.631 175.019 175.800 -0.250 0.000 1.078 579 F CA -0.675 57.227 58.000 -0.164 0.000 0.921 579 F CB 1.928 40.864 39.000 -0.107 0.000 1.232 579 F HN 0.200 nan 8.300 nan 0.000 0.459 580 L N 1.770 122.949 121.223 -0.074 0.000 2.346 580 L HA 0.883 5.224 4.340 0.001 0.000 0.276 580 L C 0.022 176.884 176.870 -0.014 0.000 1.006 580 L CA -0.812 53.910 54.840 -0.196 0.000 0.817 580 L CB 1.946 43.736 42.059 -0.449 0.000 1.272 580 L HN 0.784 nan 8.230 nan 0.000 0.421 581 G N 0.334 109.136 108.800 0.004 0.000 2.524 581 G HA2 0.792 4.752 3.960 0.001 0.000 0.310 581 G HA3 0.792 4.752 3.960 0.001 0.000 0.310 581 G C -0.522 174.488 174.900 0.183 0.000 1.279 581 G CA -0.289 44.919 45.100 0.180 0.000 0.974 581 G HN 0.962 nan 8.290 nan 0.000 0.484 582 G N -1.208 107.699 108.800 0.178 0.000 2.354 582 G HA2 0.066 4.026 3.960 0.001 0.000 0.582 582 G HA3 0.066 4.026 3.960 0.001 0.000 0.582 582 G C 0.744 175.700 174.900 0.093 0.000 1.316 582 G CA 0.042 45.228 45.100 0.143 0.000 0.995 582 G HN 1.156 nan 8.290 nan 0.000 0.573 583 C N 0.572 119.904 119.300 0.053 0.000 2.419 583 C HA 0.194 4.654 4.460 0.001 0.000 0.283 583 C C 3.020 177.998 174.990 -0.021 0.000 1.373 583 C CA 1.812 60.842 59.018 0.020 0.000 1.781 583 C CB -1.318 26.465 27.740 0.072 0.000 1.886 583 C HN 1.271 nan 8.230 nan 0.000 0.520 584 G N 1.124 109.825 108.800 -0.164 0.000 2.470 584 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 584 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 584 G C 1.434 176.001 174.900 -0.555 0.000 1.121 584 G CA 0.723 45.451 45.100 -0.620 0.000 0.766 584 G HN 0.547 nan 8.290 nan 0.000 0.553 585 N N 0.387 118.980 118.700 -0.177 0.000 2.331 585 N HA 0.016 4.756 4.740 0.001 0.000 0.180 585 N C 0.959 176.491 175.510 0.035 0.000 1.019 585 N CA 0.168 53.244 53.050 0.044 0.000 0.881 585 N CB -0.004 38.551 38.487 0.113 0.000 0.972 585 N HN 0.298 nan 8.380 nan 0.000 0.435 586 I N 3.287 123.878 120.570 0.034 0.000 2.505 586 I HA 0.021 4.191 4.170 0.001 0.000 0.287 586 I C -1.361 174.851 176.117 0.158 0.000 1.104 586 I CA -0.859 60.489 61.300 0.080 0.000 1.387 586 I CB 1.070 39.076 38.000 0.010 0.000 1.404 586 I HN -0.044 nan 8.210 nan 0.000 0.528 587 P HA 0.067 nan 4.420 nan 0.000 0.267 587 P C 0.166 177.550 177.300 0.141 0.000 1.289 587 P CA 0.198 63.366 63.100 0.114 0.000 0.866 587 P CB 0.244 31.971 31.700 0.044 0.000 1.309 588 T N -2.394 112.280 114.554 0.200 0.000 2.937 588 T HA 0.707 5.058 4.350 0.001 0.000 0.283 588 T C 0.075 174.897 174.700 0.202 0.000 1.012 588 T CA -0.929 61.271 62.100 0.167 0.000 0.997 588 T CB 1.324 70.273 68.868 0.135 0.000 1.136 588 T HN 0.041 nan 8.240 nan 0.000 0.551 589 A N 1.653 124.528 122.820 0.091 0.000 2.302 589 A HA 0.612 4.932 4.320 0.001 0.000 0.295 589 A C -0.671 176.870 177.584 -0.072 0.000 1.235 589 A CA -0.811 51.228 52.037 0.003 0.000 0.876 589 A CB -0.900 18.125 19.000 0.042 0.000 1.133 589 A HN 0.876 nan 8.150 nan 0.000 0.533 590 Y N -0.278 119.933 120.300 -0.149 0.000 2.477 590 Y HA 0.714 5.264 4.550 0.001 0.000 0.347 590 Y C 0.690 176.475 175.900 -0.192 0.000 0.981 590 Y CA -0.688 57.148 58.100 -0.440 0.000 1.033 590 Y CB 1.473 39.449 38.460 -0.807 0.000 1.245 590 Y HN 0.388 nan 8.280 nan 0.000 0.455 591 G N 0.668 109.405 108.800 -0.104 0.000 2.743 591 G HA2 0.410 4.371 3.960 0.001 0.000 0.206 591 G HA3 0.410 4.371 3.960 0.001 0.000 0.206 591 G C 0.371 175.374 174.900 0.172 0.000 1.115 591 G CA 0.186 45.417 45.100 0.218 0.000 0.782 591 G HN 0.946 nan 8.290 nan 0.000 0.524 592 A N 0.681 123.425 122.820 -0.127 0.000 2.313 592 A HA 0.522 4.842 4.320 0.001 0.000 0.261 592 A C -0.157 177.343 177.584 -0.139 0.000 1.090 592 A CA -0.540 51.312 52.037 -0.308 0.000 0.807 592 A CB 0.136 18.940 19.000 -0.327 0.000 1.055 592 A HN 0.331 nan 8.150 nan 0.000 0.492 593 N N 1.825 120.313 118.700 -0.354 0.000 2.475 593 N HA 0.265 5.005 4.740 0.001 0.000 0.267 593 N C -2.040 173.368 175.510 -0.170 0.000 1.169 593 N CA -0.990 51.826 53.050 -0.389 0.000 0.947 593 N CB 0.583 38.924 38.487 -0.244 0.000 1.061 593 N HN 0.404 nan 8.380 nan 0.000 0.466 594 P HA -0.011 nan 4.420 nan 0.000 0.235 594 P C 0.506 177.691 177.300 -0.191 0.000 1.177 594 P CA 0.700 63.669 63.100 -0.218 0.000 0.785 594 P CB 0.317 31.848 31.700 -0.282 0.000 0.885 595 T N 0.962 115.483 114.554 -0.054 0.000 2.746 595 T HA -0.130 4.221 4.350 0.001 0.000 0.267 595 T C 1.770 176.549 174.700 0.132 0.000 1.039 595 T CA 0.957 63.088 62.100 0.053 0.000 1.142 595 T CB -0.824 68.109 68.868 0.108 0.000 0.866 595 T HN 0.014 nan 8.240 nan 0.000 0.444 596 L N 1.124 122.443 121.223 0.161 0.000 2.046 596 L HA -0.100 4.241 4.340 0.001 0.000 0.208 596 L C 2.508 179.461 176.870 0.138 0.000 1.077 596 L CA 1.754 56.741 54.840 0.244 0.000 0.747 596 L CB -1.081 41.102 42.059 0.206 0.000 0.896 596 L HN 0.189 nan 8.230 nan 0.000 0.432 597 T N -0.334 114.176 114.554 -0.074 0.000 2.708 597 T HA -0.170 4.180 4.350 0.001 0.000 0.266 597 T C 1.916 176.542 174.700 -0.124 0.000 1.037 597 T CA 1.341 63.313 62.100 -0.213 0.000 1.146 597 T CB -0.553 67.786 68.868 -0.881 0.000 0.865 597 T HN 0.526 nan 8.240 nan 0.000 0.435 598 A N 1.458 124.205 122.820 -0.122 0.000 1.940 598 A HA -0.108 4.212 4.320 0.001 0.000 0.219 598 A C 2.314 179.868 177.584 -0.050 0.000 1.176 598 A CA 1.924 53.927 52.037 -0.057 0.000 0.631 598 A CB -0.750 18.234 19.000 -0.027 0.000 0.814 598 A HN 0.533 nan 8.150 nan 0.000 0.446 599 M N -0.325 119.252 119.600 -0.039 0.000 2.086 599 M HA -0.146 4.334 4.480 0.001 0.000 0.261 599 M C 2.189 178.393 176.300 -0.159 0.000 1.067 599 M CA 2.128 57.374 55.300 -0.091 0.000 1.116 599 M CB -0.173 32.377 32.600 -0.084 0.000 1.348 599 M HN 0.387 nan 8.290 nan 0.000 0.407 600 S N 1.191 116.797 115.700 -0.155 0.000 2.370 600 S HA -0.159 4.311 4.470 0.001 0.000 0.226 600 S C 1.759 176.157 174.600 -0.337 0.000 1.033 600 S CA 1.516 59.550 58.200 -0.276 0.000 1.011 600 S CB -0.600 62.386 63.200 -0.357 0.000 0.852 600 S HN 0.515 nan 8.310 nan 0.000 0.457 601 L N 0.978 122.046 121.223 -0.258 0.000 2.093 601 L HA -0.103 4.237 4.340 0.001 0.000 0.208 601 L C 2.780 179.516 176.870 -0.223 0.000 1.085 601 L CA 1.094 55.787 54.840 -0.244 0.000 0.755 601 L CB -0.706 41.282 42.059 -0.118 0.000 0.904 601 L HN 0.328 nan 8.230 nan 0.000 0.435 602 A N 0.377 123.061 122.820 -0.226 0.000 1.933 602 A HA -0.162 4.158 4.320 0.001 0.000 0.218 602 A C 2.221 179.487 177.584 -0.530 0.000 1.175 602 A CA 1.358 53.149 52.037 -0.410 0.000 0.628 602 A CB -0.586 18.179 19.000 -0.392 0.000 0.814 602 A HN 0.335 nan 8.150 nan 0.000 0.444 603 I N -0.416 119.930 120.570 -0.374 0.000 2.163 603 I HA -0.299 3.872 4.170 0.001 0.000 0.243 603 I C 2.561 178.505 176.117 -0.288 0.000 1.085 603 I CA 2.005 63.113 61.300 -0.320 0.000 1.347 603 I CB -0.266 37.556 38.000 -0.297 0.000 1.044 603 I HN 0.400 nan 8.210 nan 0.000 0.408 604 K N 0.561 120.790 120.400 -0.286 0.000 2.063 604 K HA -0.229 4.092 4.320 0.001 0.000 0.208 604 K C 2.342 178.850 176.600 -0.153 0.000 1.048 604 K CA 1.871 58.021 56.287 -0.228 0.000 0.928 604 K CB -0.145 32.184 32.500 -0.286 0.000 0.713 604 K HN 0.133 nan 8.250 nan 0.000 0.442 605 S N -0.011 115.581 115.700 -0.179 0.000 2.370 605 S HA -0.174 4.297 4.470 0.001 0.000 0.226 605 S C 2.031 176.534 174.600 -0.161 0.000 1.033 605 S CA 1.515 59.652 58.200 -0.106 0.000 1.011 605 S CB -0.490 62.688 63.200 -0.036 0.000 0.852 605 S HN 0.587 nan 8.310 nan 0.000 0.457 606 C N 1.499 120.616 119.300 -0.305 0.000 2.435 606 C HA 0.037 4.498 4.460 0.001 0.000 0.279 606 C C 2.489 177.390 174.990 -0.148 0.000 1.321 606 C CA 0.525 59.377 59.018 -0.277 0.000 1.752 606 C CB -1.450 26.086 27.740 -0.339 0.000 1.959 606 C HN 0.676 nan 8.230 nan 0.000 0.500 607 E N -0.463 119.672 120.200 -0.108 0.000 2.077 607 E HA -0.255 4.096 4.350 0.001 0.000 0.193 607 E C 1.825 178.427 176.600 0.004 0.000 0.989 607 E CA 1.465 57.834 56.400 -0.052 0.000 0.800 607 E CB -0.299 29.365 29.700 -0.060 0.000 0.746 607 E HN 0.835 nan 8.360 nan 0.000 0.452 608 Y N 1.178 121.441 120.300 -0.063 0.000 2.145 608 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 608 Y C 2.014 177.938 175.900 0.039 0.000 1.145 608 Y CA 1.439 59.544 58.100 0.008 0.000 1.148 608 Y CB -0.063 38.439 38.460 0.070 0.000 0.981 608 Y HN -0.067 nan 8.280 nan 0.000 0.507 609 I N 0.331 120.938 120.570 0.061 0.000 2.226 609 I HA -0.326 3.844 4.170 0.001 0.000 0.245 609 I C 2.261 178.417 176.117 0.065 0.000 1.100 609 I CA 1.592 62.916 61.300 0.040 0.000 1.374 609 I CB -0.369 37.450 38.000 -0.302 0.000 1.057 609 I HN 0.175 nan 8.210 nan 0.000 0.413 610 K N 0.402 120.798 120.400 -0.007 0.000 2.147 610 K HA -0.194 4.127 4.320 0.001 0.000 0.205 610 K C 2.005 178.644 176.600 0.064 0.000 1.049 610 K CA 1.234 57.586 56.287 0.108 0.000 0.936 610 K CB -0.154 32.392 32.500 0.077 0.000 0.722 610 K HN 0.444 nan 8.250 nan 0.000 0.446 611 Q N -0.048 119.717 119.800 -0.058 0.000 2.435 611 Q HA 0.032 4.372 4.340 0.001 0.000 0.207 611 Q C 1.044 176.923 176.000 -0.202 0.000 0.956 611 Q CA 0.613 56.344 55.803 -0.120 0.000 0.917 611 Q CB 0.309 28.955 28.738 -0.154 0.000 0.997 611 Q HN 0.274 nan 8.270 nan 0.000 0.497 612 N N -1.089 117.458 118.700 -0.255 0.000 2.166 612 N HA 0.159 4.900 4.740 0.001 0.000 0.213 612 N C -0.941 174.163 175.510 -0.676 0.000 1.222 612 N CA 0.241 52.997 53.050 -0.489 0.000 0.900 612 N CB 1.029 39.058 38.487 -0.762 0.000 1.055 612 N HN 0.010 nan 8.380 nan 0.000 0.515 613 F N 0.345 120.316 119.950 0.035 0.000 2.578 613 F HA 0.345 4.873 4.527 0.001 0.000 0.311 613 F C 0.024 175.950 175.800 0.210 0.000 1.094 613 F CA -0.655 57.426 58.000 0.135 0.000 0.923 613 F CB 1.898 40.998 39.000 0.166 0.000 1.230 613 F HN -0.382 nan 8.300 nan 0.000 0.450 614 T N 3.734 118.465 114.554 0.294 0.000 2.771 614 T HA 0.447 4.797 4.350 0.001 0.000 0.281 614 T C -2.612 172.081 174.700 -0.011 0.000 0.982 614 T CA -1.446 60.706 62.100 0.088 0.000 0.978 614 T CB 1.237 70.126 68.868 0.034 0.000 0.930 614 T HN 0.126 nan 8.240 nan 0.000 0.447 615 P HA 0.193 nan 4.420 nan 0.000 0.271 615 P C -0.031 177.174 177.300 -0.157 0.000 1.218 615 P CA -0.554 62.265 63.100 -0.469 0.000 0.780 615 P CB 0.328 31.540 31.700 -0.814 0.000 0.901 616 S N 2.604 118.262 115.700 -0.070 0.000 2.579 616 S HA 0.312 4.783 4.470 0.001 0.000 0.275 616 S C -2.209 172.383 174.600 -0.014 0.000 1.345 616 S CA -0.937 57.251 58.200 -0.021 0.000 1.031 616 S CB -0.952 62.245 63.200 -0.005 0.000 0.892 616 S HN 0.294 nan 8.310 nan 0.000 0.529 617 P HA 0.209 nan 4.420 nan 0.000 0.271 617 P C -0.793 176.588 177.300 0.135 0.000 1.216 617 P CA -0.499 62.633 63.100 0.055 0.000 0.776 617 P CB 0.120 31.845 31.700 0.041 0.000 0.881 618 F N 3.321 123.255 119.950 -0.027 0.000 2.438 618 F HA 0.379 4.906 4.527 0.001 0.000 0.360 618 F C 0.390 176.183 175.800 -0.013 0.000 1.118 618 F CA -0.124 57.867 58.000 -0.016 0.000 1.164 618 F CB -0.349 38.644 39.000 -0.013 0.000 1.131 618 F HN 0.182 nan 8.300 nan 0.000 0.527 619 T N 0.000 114.834 114.554 0.467 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.221 62.100 0.203 0.000 1.349 619 T CB 0.000 68.935 68.868 0.111 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658