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 3lsh_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWACAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 0.000 176.241 176.300 -0.098 0.000 1.140 43 M CA 0.000 55.257 55.300 -0.072 0.000 0.988 43 M CB 0.000 32.365 32.600 -0.392 0.000 1.302 44 D N 2.912 123.300 120.400 -0.020 0.000 2.419 44 D HA 0.122 4.762 4.640 -0.000 0.000 0.236 44 D C 0.541 176.719 176.300 -0.203 0.000 1.165 44 D CA 0.318 54.201 54.000 -0.195 0.000 0.882 44 D CB 1.058 41.575 40.800 -0.471 0.000 1.201 44 D HN 0.561 nan 8.370 nan 0.000 0.443 45 I N 0.526 120.962 120.570 -0.223 0.000 4.018 45 I HA 0.025 4.195 4.170 -0.000 0.000 0.337 45 I C 0.011 176.049 176.117 -0.131 0.000 1.327 45 I CA 0.211 61.435 61.300 -0.126 0.000 1.100 45 I CB 0.280 38.225 38.000 -0.091 0.000 1.025 45 I HN 0.055 nan 8.210 nan 0.000 0.396 46 K N 0.106 120.299 120.400 -0.346 0.000 2.413 46 K HA 0.499 4.819 4.320 -0.000 0.000 0.257 46 K C -1.762 174.498 176.600 -0.568 0.000 0.946 46 K CA -0.310 55.804 56.287 -0.289 0.000 0.823 46 K CB 0.673 33.070 32.500 -0.171 0.000 1.109 46 K HN -0.082 nan 8.250 nan 0.000 0.427 47 Y N 1.156 121.439 120.300 -0.028 0.000 2.605 47 Y HA 0.254 4.804 4.550 -0.000 0.000 0.343 47 Y C 0.729 176.598 175.900 -0.050 0.000 1.036 47 Y CA -0.754 57.322 58.100 -0.041 0.000 1.065 47 Y CB 1.907 40.342 38.460 -0.041 0.000 1.288 47 Y HN 0.604 nan 8.280 nan 0.000 0.481 48 D N 0.132 120.611 120.400 0.133 0.000 2.123 48 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 48 D C -0.341 175.949 176.300 -0.016 0.000 0.976 48 D CA 1.456 55.516 54.000 0.099 0.000 0.831 48 D CB 0.265 41.199 40.800 0.223 0.000 0.974 48 D HN 0.099 nan 8.370 nan 0.000 0.469 49 V N 1.041 120.939 119.914 -0.027 0.000 2.686 49 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 49 V C -0.393 175.606 176.094 -0.158 0.000 1.065 49 V CA -1.040 61.156 62.300 -0.174 0.000 0.894 49 V CB 2.510 34.202 31.823 -0.219 0.000 1.004 49 V HN -0.026 nan 8.190 nan 0.000 0.424 50 V N 2.986 122.771 119.914 -0.216 0.000 2.555 50 V HA 0.748 4.868 4.120 -0.000 0.000 0.302 50 V C -0.613 175.425 176.094 -0.093 0.000 1.038 50 V CA -0.636 61.596 62.300 -0.113 0.000 0.887 50 V CB 1.752 33.593 31.823 0.030 0.000 0.991 50 V HN 0.684 nan 8.190 nan 0.000 0.434 51 I N 4.272 124.804 120.570 -0.063 0.000 2.389 51 I HA 0.476 4.645 4.170 -0.000 0.000 0.288 51 I C -0.560 175.576 176.117 0.032 0.000 0.999 51 I CA -0.907 60.346 61.300 -0.079 0.000 1.129 51 I CB 2.184 40.118 38.000 -0.110 0.000 1.288 51 I HN 0.442 nan 8.210 nan 0.000 0.444 52 V N 5.580 125.502 119.914 0.015 0.000 2.348 52 V HA 0.788 4.908 4.120 -0.000 0.000 0.270 52 V C 0.499 176.597 176.094 0.006 0.000 1.037 52 V CA -0.306 62.026 62.300 0.054 0.000 0.872 52 V CB 0.517 32.347 31.823 0.011 0.000 1.002 52 V HN 1.065 nan 8.190 nan 0.000 0.464 53 G N 3.928 112.746 108.800 0.029 0.000 3.069 53 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G C -0.086 174.821 174.900 0.011 0.000 1.161 53 G CA -0.273 44.833 45.100 0.011 0.000 0.804 53 G HN 1.296 nan 8.290 nan 0.000 0.608 54 S N 1.010 116.719 115.700 0.015 0.000 2.588 54 S HA 0.615 5.085 4.470 -0.000 0.000 0.245 54 S C 1.219 175.822 174.600 0.004 0.000 1.021 54 S CA 0.641 58.856 58.200 0.026 0.000 1.006 54 S CB 0.687 63.913 63.200 0.044 0.000 0.830 54 S HN 1.894 nan 8.310 nan 0.000 0.468 55 G N 2.559 111.351 108.800 -0.014 0.000 2.621 55 G HA2 0.429 4.389 3.960 -0.000 0.000 0.271 55 G HA3 0.429 4.389 3.960 -0.000 0.000 0.271 55 G C -1.246 173.621 174.900 -0.055 0.000 1.236 55 G CA -1.517 43.554 45.100 -0.047 0.000 0.958 55 G HN 0.226 nan 8.290 nan 0.000 0.512 56 P HA -0.052 nan 4.420 nan 0.000 0.222 56 P C 1.581 178.816 177.300 -0.108 0.000 1.147 56 P CA 0.644 63.678 63.100 -0.110 0.000 0.790 56 P CB 0.231 31.872 31.700 -0.099 0.000 0.780 57 I N -0.051 120.492 120.570 -0.044 0.000 2.400 57 I HA 0.006 4.176 4.170 -0.000 0.000 0.248 57 I C 2.663 178.834 176.117 0.090 0.000 1.109 57 I CA 1.350 62.657 61.300 0.012 0.000 1.425 57 I CB -2.224 35.812 38.000 0.060 0.000 1.094 57 I HN -0.011 nan 8.210 nan 0.000 0.425 58 G N 0.235 109.065 108.800 0.050 0.000 2.432 58 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 58 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 58 G C 1.721 176.616 174.900 -0.009 0.000 1.135 58 G CA 0.872 45.994 45.100 0.038 0.000 0.767 58 G HN 0.401 nan 8.290 nan 0.000 0.550 59 C N 0.644 119.915 119.300 -0.048 0.000 2.432 59 C HA 0.038 4.498 4.460 -0.000 0.000 0.282 59 C C 3.149 178.014 174.990 -0.208 0.000 1.388 59 C CA 1.305 60.253 59.018 -0.117 0.000 1.777 59 C CB -0.935 26.781 27.740 -0.040 0.000 1.882 59 C HN 0.441 nan 8.230 nan 0.000 0.520 60 T N -0.017 114.443 114.554 -0.156 0.000 2.737 60 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 60 T C 1.469 176.022 174.700 -0.245 0.000 1.038 60 T CA 1.597 63.579 62.100 -0.198 0.000 1.144 60 T CB -0.400 68.369 68.868 -0.165 0.000 0.866 60 T HN 0.562 nan 8.240 nan 0.000 0.434 61 Y N 1.415 121.577 120.300 -0.231 0.000 2.224 61 Y HA -0.028 4.522 4.550 -0.000 0.000 0.289 61 Y C 2.709 178.391 175.900 -0.363 0.000 1.146 61 Y CA 0.856 58.799 58.100 -0.261 0.000 1.182 61 Y CB -0.588 37.736 38.460 -0.227 0.000 0.983 61 Y HN 0.199 nan 8.280 nan 0.000 0.524 62 A N 0.147 122.765 122.820 -0.336 0.000 1.902 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 62 A C 2.260 179.289 177.584 -0.925 0.000 1.181 62 A CA 1.835 53.422 52.037 -0.750 0.000 0.623 62 A CB -0.699 17.521 19.000 -1.301 0.000 0.818 62 A HN 0.441 nan 8.150 nan 0.000 0.443 63 R N -0.444 119.595 120.500 -0.769 0.000 2.081 63 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 63 R C 1.947 178.046 176.300 -0.334 0.000 1.131 63 R CA 1.601 57.379 56.100 -0.536 0.000 0.960 63 R CB -0.187 29.822 30.300 -0.485 0.000 0.856 63 R HN 0.533 nan 8.270 nan 0.000 0.436 64 E N 0.529 120.564 120.200 -0.274 0.000 2.046 64 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 64 E C 2.126 178.658 176.600 -0.114 0.000 0.982 64 E CA 1.107 57.417 56.400 -0.151 0.000 0.800 64 E CB -0.044 29.560 29.700 -0.160 0.000 0.756 64 E HN 0.417 nan 8.360 nan 0.000 0.449 65 L N 0.448 121.570 121.223 -0.168 0.000 2.162 65 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 65 L C 2.546 179.447 176.870 0.051 0.000 1.086 65 L CA 0.364 55.144 54.840 -0.100 0.000 0.778 65 L CB -0.286 41.608 42.059 -0.275 0.000 0.928 65 L HN -0.044 nan 8.230 nan 0.000 0.446 66 V N 0.441 120.296 119.914 -0.099 0.000 2.307 66 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 66 V C 2.652 178.766 176.094 0.034 0.000 1.045 66 V CA 2.018 64.298 62.300 -0.033 0.000 1.024 66 V CB -1.187 30.531 31.823 -0.175 0.000 0.651 66 V HN 0.552 nan 8.190 nan 0.000 0.449 67 G N -0.374 108.423 108.800 -0.004 0.000 2.450 67 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 67 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 67 G C 1.427 176.357 174.900 0.051 0.000 1.130 67 G CA 0.905 46.021 45.100 0.027 0.000 0.760 67 G HN 0.644 nan 8.290 nan 0.000 0.557 68 A N -0.601 122.272 122.820 0.088 0.000 2.278 68 A HA 0.508 4.828 4.320 -0.000 0.000 0.212 68 A C 1.826 179.436 177.584 0.043 0.000 1.213 68 A CA 1.142 53.241 52.037 0.103 0.000 0.840 68 A CB -0.329 18.791 19.000 0.199 0.000 0.866 68 A HN 1.553 nan 8.150 nan 0.000 0.489 69 G N -2.210 106.624 108.800 0.057 0.000 2.163 69 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.213 69 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.213 69 G C -0.090 174.764 174.900 -0.076 0.000 0.991 69 G CA -0.031 45.059 45.100 -0.018 0.000 0.653 69 G HN 0.370 nan 8.290 nan 0.000 0.518 70 Y N 0.657 120.951 120.300 -0.010 0.000 2.336 70 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 70 Y C 1.091 176.978 175.900 -0.023 0.000 1.211 70 Y CA -0.095 57.993 58.100 -0.019 0.000 1.346 70 Y CB 0.784 39.226 38.460 -0.030 0.000 1.271 70 Y HN 0.077 nan 8.280 nan 0.000 0.538 71 K N 2.958 123.431 120.400 0.122 0.000 2.315 71 K HA 0.374 4.694 4.320 -0.000 0.000 0.291 71 K C -1.526 175.171 176.600 0.162 0.000 1.074 71 K CA -0.092 56.248 56.287 0.089 0.000 0.936 71 K CB -0.055 32.460 32.500 0.025 0.000 1.049 71 K HN 0.499 nan 8.250 nan 0.000 0.471 72 V N 3.300 123.287 119.914 0.121 0.000 2.495 72 V HA 0.590 4.710 4.120 -0.000 0.000 0.298 72 V C -0.348 175.608 176.094 -0.229 0.000 1.031 72 V CA -0.926 61.387 62.300 0.021 0.000 0.871 72 V CB 1.464 33.351 31.823 0.107 0.000 0.988 72 V HN 0.875 nan 8.190 nan 0.000 0.432 73 A N 5.716 128.239 122.820 -0.495 0.000 2.350 73 A HA 0.943 5.263 4.320 -0.000 0.000 0.324 73 A C -0.687 176.515 177.584 -0.635 0.000 1.118 73 A CA -0.628 50.892 52.037 -0.861 0.000 0.783 73 A CB 1.625 19.762 19.000 -1.438 0.000 1.236 73 A HN 0.909 nan 8.150 nan 0.000 0.457 74 M N 2.544 121.680 119.600 -0.773 0.000 2.259 74 M HA 0.697 5.177 4.480 -0.000 0.000 0.304 74 M C -2.183 173.771 176.300 -0.576 0.000 1.019 74 M CA -0.413 54.620 55.300 -0.446 0.000 0.922 74 M CB 1.038 33.581 32.600 -0.095 0.000 1.600 74 M HN 0.592 nan 8.290 nan 0.000 0.433 75 F N 2.662 122.602 119.950 -0.018 0.000 2.458 75 F HA 0.549 5.076 4.527 -0.000 0.000 0.336 75 F C -0.015 175.781 175.800 -0.008 0.000 1.114 75 F CA -0.493 57.518 58.000 0.019 0.000 0.987 75 F CB 1.284 40.281 39.000 -0.004 0.000 1.130 75 F HN 0.457 nan 8.300 nan 0.000 0.458 76 D N 3.028 123.512 120.400 0.139 0.000 2.879 76 D HA 0.226 4.866 4.640 -0.000 0.000 0.236 76 D C 0.505 176.823 176.300 0.030 0.000 1.171 76 D CA -0.352 53.683 54.000 0.057 0.000 0.868 76 D CB 2.512 43.328 40.800 0.028 0.000 1.598 76 D HN 0.656 nan 8.370 nan 0.000 0.497 77 I N 1.908 122.447 120.570 -0.051 0.000 2.676 77 I HA 0.049 4.219 4.170 -0.000 0.000 0.259 77 I C 1.051 177.116 176.117 -0.087 0.000 1.194 77 I CA 0.721 61.944 61.300 -0.129 0.000 1.473 77 I CB 0.180 37.985 38.000 -0.324 0.000 1.096 77 I HN 0.319 nan 8.210 nan 0.000 0.443 78 G N -0.036 108.736 108.800 -0.048 0.000 2.557 78 G HA2 0.405 4.365 3.960 -0.000 0.000 0.302 78 G HA3 0.405 4.365 3.960 -0.000 0.000 0.302 78 G C -0.937 173.978 174.900 0.023 0.000 1.311 78 G CA -0.434 44.664 45.100 -0.003 0.000 1.030 78 G HN 0.282 nan 8.290 nan 0.000 0.509 79 E N -1.371 118.851 120.200 0.036 0.000 2.281 79 E HA 0.370 4.720 4.350 -0.000 0.000 0.262 79 E C -0.490 176.134 176.600 0.040 0.000 0.933 79 E CA -0.728 55.695 56.400 0.040 0.000 0.809 79 E CB 2.543 32.270 29.700 0.045 0.000 1.242 79 E HN 0.258 nan 8.360 nan 0.000 0.418 80 I N 3.110 123.702 120.570 0.036 0.000 2.421 80 I HA -0.026 4.144 4.170 -0.000 0.000 0.291 80 I C 0.354 176.499 176.117 0.047 0.000 1.089 80 I CA 0.318 61.640 61.300 0.038 0.000 1.354 80 I CB -0.023 37.994 38.000 0.028 0.000 1.413 80 I HN 0.591 nan 8.210 nan 0.000 0.513 81 D N 2.269 122.704 120.400 0.058 0.000 3.206 81 D HA -0.058 4.582 4.640 -0.000 0.000 0.267 81 D C 1.271 177.619 176.300 0.080 0.000 1.506 81 D CA 0.099 54.138 54.000 0.066 0.000 1.173 81 D CB -0.442 40.398 40.800 0.068 0.000 1.141 81 D HN 0.277 nan 8.370 nan 0.000 0.350 82 S N 0.639 116.399 115.700 0.101 0.000 2.602 82 S HA 0.047 4.517 4.470 -0.000 0.000 0.395 82 S C 1.187 175.854 174.600 0.113 0.000 0.940 82 S CA 1.477 59.751 58.200 0.123 0.000 1.105 82 S CB -1.632 61.640 63.200 0.119 0.000 0.679 82 S HN 1.039 nan 8.310 nan 0.000 0.508 83 G N -0.380 108.474 108.800 0.090 0.000 2.660 83 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.247 83 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.247 83 G C 0.177 175.109 174.900 0.053 0.000 1.328 83 G CA -0.249 44.896 45.100 0.075 0.000 0.884 83 G HN 0.333 nan 8.290 nan 0.000 0.531 84 L N 0.030 121.278 121.223 0.042 0.000 2.395 84 L HA 0.125 4.465 4.340 -0.000 0.000 0.218 84 L C 1.453 178.334 176.870 0.018 0.000 1.130 84 L CA 0.854 55.708 54.840 0.024 0.000 0.826 84 L CB -0.296 41.773 42.059 0.015 0.000 0.941 84 L HN 0.313 nan 8.230 nan 0.000 0.451 85 K N 1.626 122.046 120.400 0.033 0.000 2.263 85 K HA 0.340 4.660 4.320 -0.000 0.000 0.282 85 K C -0.291 176.329 176.600 0.033 0.000 1.089 85 K CA -0.320 55.982 56.287 0.026 0.000 0.907 85 K CB 1.099 33.628 32.500 0.048 0.000 1.148 85 K HN 0.061 nan 8.250 nan 0.000 0.470 86 I N 2.071 122.646 120.570 0.008 0.000 2.668 86 I HA -0.079 4.091 4.170 -0.000 0.000 0.285 86 I C 1.351 177.483 176.117 0.025 0.000 1.168 86 I CA 0.799 62.107 61.300 0.014 0.000 1.424 86 I CB 0.281 38.279 38.000 -0.003 0.000 1.377 86 I HN 0.950 nan 8.210 nan 0.000 0.560 87 G N 4.377 113.204 108.800 0.044 0.000 2.179 87 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 87 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 87 G C 0.383 175.328 174.900 0.076 0.000 1.010 87 G CA 0.154 45.284 45.100 0.050 0.000 0.736 87 G HN 0.966 nan 8.290 nan 0.000 0.513 88 A N -0.538 122.345 122.820 0.105 0.000 2.280 88 A HA 0.618 4.938 4.320 -0.000 0.000 0.268 88 A C 0.581 178.297 177.584 0.220 0.000 1.111 88 A CA -0.236 51.901 52.037 0.167 0.000 0.814 88 A CB 0.295 19.391 19.000 0.160 0.000 1.093 88 A HN 0.632 nan 8.150 nan 0.000 0.498 89 H N 0.011 119.206 119.070 0.209 0.000 2.646 89 H HA 0.191 4.747 4.556 -0.000 0.000 0.325 89 H C 0.533 175.988 175.328 0.212 0.000 1.075 89 H CA 0.387 56.575 56.048 0.232 0.000 1.421 89 H CB 1.032 30.949 29.762 0.259 0.000 1.461 89 H HN 0.664 nan 8.280 nan 0.000 0.525 90 K N 3.111 123.725 120.400 0.356 0.000 2.439 90 K HA -0.090 4.229 4.320 -0.000 0.000 0.197 90 K C 1.646 178.478 176.600 0.387 0.000 1.041 90 K CA 0.640 57.181 56.287 0.422 0.000 0.970 90 K CB 0.347 33.136 32.500 0.481 0.000 0.773 90 K HN 0.439 nan 8.250 nan 0.000 0.479 91 K N 0.850 121.371 120.400 0.201 0.000 2.487 91 K HA 0.011 4.331 4.320 -0.000 0.000 0.192 91 K C 0.190 176.821 176.600 0.051 0.000 1.027 91 K CA 0.423 56.502 56.287 -0.346 0.000 1.054 91 K CB 0.248 32.091 32.500 -1.096 0.000 0.824 91 K HN -0.067 nan 8.250 nan 0.000 0.510 92 N N 2.121 120.962 118.700 0.234 0.000 2.623 92 N HA -0.007 4.733 4.740 -0.000 0.000 0.263 92 N C -0.920 174.877 175.510 0.479 0.000 1.218 92 N CA 0.313 53.568 53.050 0.342 0.000 0.949 92 N CB 0.795 39.494 38.487 0.354 0.000 1.270 92 N HN 0.341 nan 8.380 nan 0.000 0.507 93 T N -4.350 110.458 114.554 0.423 0.000 2.885 93 T HA 0.335 4.685 4.350 -0.000 0.000 0.285 93 T C 1.410 176.344 174.700 0.390 0.000 1.019 93 T CA -0.774 61.532 62.100 0.343 0.000 1.010 93 T CB 1.644 70.648 68.868 0.227 0.000 1.022 93 T HN -0.185 nan 8.240 nan 0.000 0.466 94 V N 1.636 121.705 119.914 0.258 0.000 2.332 94 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 94 V C 2.799 178.975 176.094 0.136 0.000 1.055 94 V CA 2.465 64.895 62.300 0.216 0.000 1.038 94 V CB -0.975 30.869 31.823 0.036 0.000 0.651 94 V HN 1.053 nan 8.190 nan 0.000 0.450 95 E N -0.391 119.832 120.200 0.038 0.000 2.058 95 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 95 E C 2.042 178.609 176.600 -0.054 0.000 0.997 95 E CA 1.780 58.144 56.400 -0.061 0.000 0.801 95 E CB -0.358 29.239 29.700 -0.172 0.000 0.746 95 E HN 0.655 nan 8.360 nan 0.000 0.450 96 Y N 0.792 121.170 120.300 0.130 0.000 2.242 96 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 96 Y C 2.269 178.210 175.900 0.068 0.000 1.137 96 Y CA 1.388 59.556 58.100 0.114 0.000 1.181 96 Y CB -0.312 38.222 38.460 0.122 0.000 0.989 96 Y HN 0.176 nan 8.280 nan 0.000 0.527 97 Q N -0.152 119.775 119.800 0.212 0.000 2.364 97 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 97 Q C 1.630 177.702 176.000 0.120 0.000 0.970 97 Q CA 0.923 56.805 55.803 0.131 0.000 0.888 97 Q CB -0.060 28.727 28.738 0.082 0.000 0.951 97 Q HN 0.461 nan 8.270 nan 0.000 0.469 98 K N 0.126 120.596 120.400 0.116 0.000 2.418 98 K HA 0.053 4.373 4.320 -0.000 0.000 0.195 98 K C 0.304 176.950 176.600 0.077 0.000 1.035 98 K CA 0.323 56.658 56.287 0.080 0.000 1.003 98 K CB 0.458 32.992 32.500 0.056 0.000 0.793 98 K HN 0.080 nan 8.250 nan 0.000 0.494 99 N N 0.940 119.708 118.700 0.112 0.000 2.664 99 N HA 0.048 4.788 4.740 -0.000 0.000 0.287 99 N C 0.110 175.729 175.510 0.182 0.000 1.869 99 N CA 0.044 53.169 53.050 0.125 0.000 0.832 99 N CB 0.930 39.488 38.487 0.118 0.000 1.293 99 N HN -0.002 nan 8.380 nan 0.000 0.498 100 I N 0.890 121.540 120.570 0.132 0.000 2.454 100 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 100 I C 1.450 177.633 176.117 0.110 0.000 1.156 100 I CA 1.556 62.924 61.300 0.114 0.000 1.433 100 I CB 0.178 38.202 38.000 0.039 0.000 1.082 100 I HN 0.114 nan 8.210 nan 0.000 0.432 101 D N 0.444 120.899 120.400 0.091 0.000 2.219 101 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 101 D C 1.938 178.287 176.300 0.082 0.000 0.970 101 D CA 0.635 54.675 54.000 0.068 0.000 0.851 101 D CB -0.026 40.808 40.800 0.056 0.000 0.943 101 D HN 0.254 nan 8.370 nan 0.000 0.488 102 K N 0.258 120.745 120.400 0.144 0.000 2.211 102 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 102 K C 1.779 178.446 176.600 0.112 0.000 1.050 102 K CA 0.098 56.486 56.287 0.168 0.000 0.945 102 K CB -0.667 32.001 32.500 0.281 0.000 0.732 102 K HN 0.215 nan 8.250 nan 0.000 0.451 103 F N 1.147 121.042 119.950 -0.092 0.000 2.365 103 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 103 F C 2.072 177.727 175.800 -0.243 0.000 1.090 103 F CA 0.471 58.269 58.000 -0.337 0.000 1.408 103 F CB -0.163 38.606 39.000 -0.384 0.000 1.060 103 F HN -0.172 nan 8.300 nan 0.000 0.534 104 V N 0.659 120.487 119.914 -0.144 0.000 2.380 104 V HA -0.370 3.750 4.120 -0.000 0.000 0.251 104 V C 1.752 177.696 176.094 -0.249 0.000 1.063 104 V CA 2.888 65.075 62.300 -0.189 0.000 1.055 104 V CB -0.653 31.113 31.823 -0.095 0.000 0.657 104 V HN 0.486 nan 8.190 nan 0.000 0.455 105 N N -0.338 118.241 118.700 -0.202 0.000 2.188 105 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 105 N C 1.704 177.052 175.510 -0.270 0.000 1.018 105 N CA 1.459 54.408 53.050 -0.168 0.000 0.858 105 N CB -0.273 38.168 38.487 -0.077 0.000 0.989 105 N HN 0.434 nan 8.380 nan 0.000 0.426 106 V N 1.436 121.082 119.914 -0.446 0.000 2.332 106 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 106 V C 2.042 177.744 176.094 -0.653 0.000 1.055 106 V CA 1.484 63.432 62.300 -0.587 0.000 1.038 106 V CB -0.524 30.678 31.823 -1.033 0.000 0.651 106 V HN 0.318 nan 8.190 nan 0.000 0.450 107 I N -0.415 119.691 120.570 -0.774 0.000 2.226 107 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 107 I C 2.688 178.575 176.117 -0.382 0.000 1.100 107 I CA 1.613 62.506 61.300 -0.678 0.000 1.374 107 I CB -0.416 37.308 38.000 -0.460 0.000 1.057 107 I HN 0.361 nan 8.210 nan 0.000 0.413 108 Q N 0.441 120.083 119.800 -0.264 0.000 2.124 108 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 108 Q C 2.357 178.283 176.000 -0.123 0.000 0.977 108 Q CA 1.569 57.289 55.803 -0.138 0.000 0.850 108 Q CB -0.419 28.263 28.738 -0.094 0.000 0.901 108 Q HN 0.651 nan 8.270 nan 0.000 0.429 109 G N 0.352 109.055 108.800 -0.162 0.000 2.422 109 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 109 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 109 G C 1.371 176.214 174.900 -0.094 0.000 1.140 109 G CA 0.692 45.723 45.100 -0.115 0.000 0.775 109 G HN 0.204 nan 8.290 nan 0.000 0.545 110 Q N -0.759 118.951 119.800 -0.150 0.000 2.384 110 Q HA 0.313 4.653 4.340 -0.000 0.000 0.207 110 Q C 0.753 176.757 176.000 0.006 0.000 0.904 110 Q CA -0.169 55.595 55.803 -0.065 0.000 0.933 110 Q CB 0.017 28.711 28.738 -0.073 0.000 1.077 110 Q HN 0.327 nan 8.270 nan 0.000 0.522 111 L N 1.948 123.160 121.223 -0.018 0.000 2.313 111 L HA 0.263 4.603 4.340 -0.000 0.000 0.282 111 L C -0.523 176.383 176.870 0.060 0.000 1.092 111 L CA -0.276 54.599 54.840 0.059 0.000 0.831 111 L CB 0.693 42.787 42.059 0.058 0.000 1.159 111 L HN 0.173 nan 8.230 nan 0.000 0.442 112 M N 2.690 122.345 119.600 0.092 0.000 2.101 112 M HA 0.261 4.740 4.480 -0.000 0.000 0.340 112 M C 0.046 176.405 176.300 0.097 0.000 1.057 112 M CA -0.502 54.853 55.300 0.092 0.000 0.984 112 M CB 1.146 33.817 32.600 0.120 0.000 1.560 112 M HN 0.386 nan 8.290 nan 0.000 0.435 113 S N 1.893 117.637 115.700 0.074 0.000 2.558 113 S HA 0.161 4.631 4.470 -0.000 0.000 0.288 113 S C 1.607 176.256 174.600 0.082 0.000 1.318 113 S CA -0.517 57.726 58.200 0.071 0.000 1.056 113 S CB 0.919 64.148 63.200 0.047 0.000 0.853 113 S HN 0.541 nan 8.310 nan 0.000 0.505 114 V N 1.992 121.963 119.914 0.095 0.000 2.379 114 V HA 0.060 4.180 4.120 -0.000 0.000 0.243 114 V C 1.128 177.235 176.094 0.020 0.000 1.035 114 V CA 1.269 63.616 62.300 0.078 0.000 1.035 114 V CB 0.290 32.188 31.823 0.125 0.000 0.673 114 V HN 0.788 nan 8.190 nan 0.000 0.457 115 S N -0.189 115.542 115.700 0.052 0.000 2.776 115 S HA 0.521 4.991 4.470 -0.000 0.000 0.284 115 S C -1.085 173.523 174.600 0.013 0.000 1.160 115 S CA -0.467 57.723 58.200 -0.016 0.000 1.051 115 S CB 1.428 64.576 63.200 -0.086 0.000 1.037 115 S HN 0.010 nan 8.310 nan 0.000 0.485 116 V N 7.862 127.772 119.914 -0.006 0.000 2.347 116 V HA 0.529 4.648 4.120 -0.000 0.000 0.280 116 V C -1.911 174.171 176.094 -0.020 0.000 1.021 116 V CA -1.815 60.481 62.300 -0.007 0.000 0.847 116 V CB 1.225 33.044 31.823 -0.006 0.000 0.990 116 V HN 0.712 nan 8.190 nan 0.000 0.444 117 P HA 0.150 nan 4.420 nan 0.000 0.272 117 P C -0.116 177.164 177.300 -0.034 0.000 1.230 117 P CA -0.114 62.971 63.100 -0.026 0.000 0.788 117 P CB 0.901 32.585 31.700 -0.026 0.000 0.949 118 V N 2.487 122.385 119.914 -0.027 0.000 2.617 118 V HA -0.070 4.050 4.120 -0.000 0.000 0.304 118 V C 1.345 177.393 176.094 -0.077 0.000 1.040 118 V CA 0.305 62.585 62.300 -0.033 0.000 1.149 118 V CB -0.778 31.049 31.823 0.007 0.000 0.914 118 V HN 0.638 nan 8.190 nan 0.000 0.487 119 N N 3.489 122.134 118.700 -0.091 0.000 2.488 119 N HA 0.102 4.842 4.740 -0.000 0.000 0.274 119 N C 0.632 175.971 175.510 -0.285 0.000 1.111 119 N CA 0.411 53.378 53.050 -0.138 0.000 0.974 119 N CB 1.567 40.000 38.487 -0.090 0.000 1.089 119 N HN 0.877 nan 8.380 nan 0.000 0.465 120 T N 0.710 114.981 114.554 -0.471 0.000 3.200 120 T HA 0.267 4.617 4.350 -0.000 0.000 0.284 120 T C 0.893 175.153 174.700 -0.733 0.000 1.009 120 T CA -0.419 61.011 62.100 -1.116 0.000 0.907 120 T CB -0.267 68.078 68.868 -0.872 0.000 1.120 120 T HN 0.280 nan 8.240 nan 0.000 0.534 121 L N 1.955 123.000 121.223 -0.297 0.000 2.456 121 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 121 L C 0.039 176.939 176.870 0.051 0.000 1.189 121 L CA -0.606 54.174 54.840 -0.100 0.000 0.846 121 L CB 0.856 42.891 42.059 -0.041 0.000 1.111 121 L HN 0.073 nan 8.230 nan 0.000 0.475 122 V N 4.497 124.462 119.914 0.085 0.000 2.383 122 V HA 0.231 4.351 4.120 -0.000 0.000 0.275 122 V C 0.050 176.212 176.094 0.114 0.000 1.036 122 V CA -0.439 61.969 62.300 0.180 0.000 0.889 122 V CB 1.695 33.604 31.823 0.144 0.000 0.985 122 V HN 0.407 nan 8.190 nan 0.000 0.459 123 V N 5.297 125.282 119.914 0.119 0.000 2.325 123 V HA 0.371 4.491 4.120 -0.000 0.000 0.280 123 V C -0.046 176.082 176.094 0.057 0.000 1.016 123 V CA -0.490 61.855 62.300 0.075 0.000 0.818 123 V CB 1.436 33.305 31.823 0.076 0.000 1.019 123 V HN 1.056 nan 8.190 nan 0.000 0.434 124 D N 1.934 122.359 120.400 0.042 0.000 2.538 124 D HA 0.030 4.669 4.640 -0.000 0.000 0.231 124 D C 1.039 177.350 176.300 0.019 0.000 1.229 124 D CA 0.196 54.211 54.000 0.025 0.000 0.828 124 D CB 0.495 41.309 40.800 0.023 0.000 1.035 124 D HN 0.540 nan 8.370 nan 0.000 0.495 125 T N -1.785 112.783 114.554 0.023 0.000 3.266 125 T HA 0.342 4.691 4.350 -0.000 0.000 0.278 125 T C 0.582 175.295 174.700 0.022 0.000 1.010 125 T CA -0.558 61.553 62.100 0.019 0.000 0.909 125 T CB -0.314 68.566 68.868 0.020 0.000 1.122 125 T HN 0.020 nan 8.240 nan 0.000 0.536 126 L N 2.012 123.250 121.223 0.025 0.000 2.467 126 L HA 0.329 4.669 4.340 -0.000 0.000 0.270 126 L C 1.161 178.044 176.870 0.021 0.000 1.205 126 L CA -0.566 54.292 54.840 0.030 0.000 0.828 126 L CB 0.505 42.587 42.059 0.037 0.000 1.101 126 L HN 0.302 nan 8.230 nan 0.000 0.479 127 S N 2.194 117.910 115.700 0.026 0.000 2.558 127 S HA 0.074 4.543 4.470 -0.000 0.000 0.288 127 S C -1.416 173.191 174.600 0.013 0.000 1.318 127 S CA -0.997 57.215 58.200 0.020 0.000 1.056 127 S CB 0.733 63.949 63.200 0.026 0.000 0.853 127 S HN 0.409 nan 8.310 nan 0.000 0.505 128 P HA -0.075 nan 4.420 nan 0.000 0.221 128 P C 1.329 178.628 177.300 -0.001 0.000 1.145 128 P CA 1.336 64.432 63.100 -0.006 0.000 0.795 128 P CB -0.259 31.437 31.700 -0.007 0.000 0.775 129 T N -5.632 108.930 114.554 0.014 0.000 3.067 129 T HA 0.095 4.445 4.350 -0.000 0.000 0.261 129 T C 1.001 175.730 174.700 0.048 0.000 1.110 129 T CA 0.101 62.216 62.100 0.025 0.000 1.113 129 T CB -0.507 68.378 68.868 0.029 0.000 0.917 129 T HN -0.101 nan 8.240 nan 0.000 0.499 130 S N 1.196 116.929 115.700 0.055 0.000 2.565 130 S HA 0.323 4.793 4.470 -0.000 0.000 0.274 130 S C -0.638 174.042 174.600 0.134 0.000 1.309 130 S CA -1.017 57.245 58.200 0.104 0.000 1.043 130 S CB 0.212 63.470 63.200 0.098 0.000 0.939 130 S HN 0.587 nan 8.310 nan 0.000 0.504 131 W N 3.382 124.692 121.300 0.017 0.000 2.443 131 W HA 0.071 4.731 4.660 -0.000 0.000 0.335 131 W C 0.379 176.917 176.519 0.031 0.000 1.382 131 W CA 0.572 57.928 57.345 0.018 0.000 1.305 131 W CB 0.118 29.590 29.460 0.019 0.000 1.283 131 W HN 0.533 nan 8.180 nan 0.000 0.567 132 Q N 5.153 124.668 119.800 -0.474 0.000 2.337 132 Q HA 0.609 4.949 4.340 -0.000 0.000 0.270 132 Q C -0.545 175.010 176.000 -0.741 0.000 1.043 132 Q CA -0.837 54.746 55.803 -0.367 0.000 0.794 132 Q CB 1.676 30.278 28.738 -0.226 0.000 1.281 132 Q HN 0.581 nan 8.270 nan 0.000 0.446 133 A N 2.200 124.793 122.820 -0.379 0.000 2.351 133 A HA 0.316 4.635 4.320 -0.000 0.000 0.257 133 A C 0.435 177.860 177.584 -0.265 0.000 1.087 133 A CA -0.138 51.732 52.037 -0.279 0.000 0.798 133 A CB 0.833 19.984 19.000 0.251 0.000 1.033 133 A HN 0.879 nan 8.150 nan 0.000 0.488 134 S N -0.790 114.780 115.700 -0.217 0.000 2.503 134 S HA 0.132 4.601 4.470 -0.000 0.000 0.215 134 S C 0.817 175.306 174.600 -0.185 0.000 1.003 134 S CA 0.836 58.922 58.200 -0.190 0.000 0.910 134 S CB -0.056 63.051 63.200 -0.154 0.000 0.790 134 S HN 1.122 nan 8.310 nan 0.000 0.514 135 T N -1.332 113.149 114.554 -0.121 0.000 2.812 135 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 135 T C -1.013 173.605 174.700 -0.137 0.000 1.159 135 T CA -0.752 61.254 62.100 -0.157 0.000 1.008 135 T CB 0.637 69.525 68.868 0.034 0.000 1.289 135 T HN -0.098 nan 8.240 nan 0.000 0.514 136 F N 2.985 123.014 119.950 0.131 0.000 2.619 136 F HA 0.404 4.931 4.527 -0.000 0.000 0.350 136 F C 0.331 176.181 175.800 0.084 0.000 1.259 136 F CA -1.791 56.245 58.000 0.061 0.000 1.204 136 F CB -0.985 38.026 39.000 0.018 0.000 1.556 136 F HN 0.550 nan 8.300 nan 0.000 0.650 137 F N -0.541 119.520 119.950 0.184 0.000 2.368 137 F HA 0.680 5.207 4.527 -0.000 0.000 0.315 137 F C -0.176 175.698 175.800 0.123 0.000 1.145 137 F CA -1.710 56.371 58.000 0.134 0.000 1.095 137 F CB -0.029 39.040 39.000 0.116 0.000 1.286 137 F HN -0.169 nan 8.300 nan 0.000 0.530 138 V N 2.825 122.894 119.914 0.258 0.000 2.421 138 V HA 0.291 4.411 4.120 -0.000 0.000 0.271 138 V C 0.012 176.157 176.094 0.085 0.000 1.031 138 V CA -0.004 62.366 62.300 0.116 0.000 1.032 138 V CB -0.681 31.223 31.823 0.136 0.000 1.009 138 V HN 0.719 nan 8.190 nan 0.000 0.477 139 R N 3.900 124.350 120.500 -0.084 0.000 2.744 139 R HA 0.471 4.811 4.340 -0.000 0.000 0.279 139 R C 0.103 176.373 176.300 -0.051 0.000 0.977 139 R CA -0.954 55.076 56.100 -0.116 0.000 0.906 139 R CB 1.363 31.455 30.300 -0.346 0.000 1.197 139 R HN 0.700 nan 8.270 nan 0.000 0.463 140 N N 0.896 119.588 118.700 -0.015 0.000 2.727 140 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 140 N C 0.469 175.976 175.510 -0.006 0.000 1.048 140 N CA 1.520 54.563 53.050 -0.010 0.000 0.714 140 N CB -1.067 37.408 38.487 -0.020 0.000 0.959 140 N HN 1.110 nan 8.380 nan 0.000 0.544 141 G N -1.710 107.093 108.800 0.004 0.000 2.159 141 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.256 141 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.256 141 G C 0.262 175.164 174.900 0.004 0.000 0.977 141 G CA 0.772 45.876 45.100 0.007 0.000 0.652 141 G HN 1.292 nan 8.290 nan 0.000 0.531 142 S N -0.556 115.142 115.700 -0.003 0.000 2.593 142 S HA 0.524 4.994 4.470 -0.000 0.000 0.269 142 S C 0.100 174.697 174.600 -0.005 0.000 1.334 142 S CA -0.005 58.189 58.200 -0.010 0.000 1.015 142 S CB 1.836 65.022 63.200 -0.022 0.000 0.912 142 S HN 0.595 nan 8.310 nan 0.000 0.541 143 N N 2.116 120.805 118.700 -0.018 0.000 2.546 143 N HA 0.366 5.106 4.740 -0.000 0.000 0.238 143 N C -1.739 173.761 175.510 -0.017 0.000 0.984 143 N CA -2.513 50.519 53.050 -0.030 0.000 0.935 143 N CB 1.249 39.689 38.487 -0.079 0.000 1.122 143 N HN 0.397 nan 8.380 nan 0.000 0.510 144 P HA -0.030 nan 4.420 nan 0.000 0.237 144 P C 0.257 177.583 177.300 0.044 0.000 1.178 144 P CA 0.777 63.899 63.100 0.036 0.000 0.766 144 P CB 0.568 32.304 31.700 0.061 0.000 0.876 145 E N -0.198 120.017 120.200 0.025 0.000 2.358 145 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 145 E C 0.871 177.488 176.600 0.028 0.000 1.010 145 E CA 0.497 56.933 56.400 0.061 0.000 0.856 145 E CB -0.105 29.596 29.700 0.003 0.000 0.795 145 E HN 0.299 nan 8.360 nan 0.000 0.504 146 Q N 2.310 122.089 119.800 -0.035 0.000 2.296 146 Q HA 0.016 4.356 4.340 -0.000 0.000 0.263 146 Q C -0.806 175.204 176.000 0.016 0.000 1.026 146 Q CA -0.114 55.664 55.803 -0.041 0.000 0.912 146 Q CB 0.698 29.398 28.738 -0.063 0.000 1.198 146 Q HN -0.185 nan 8.270 nan 0.000 0.407 147 D N 5.950 126.378 120.400 0.047 0.000 2.339 147 D HA 0.081 4.721 4.640 -0.000 0.000 0.256 147 D C -1.744 174.573 176.300 0.029 0.000 1.214 147 D CA -1.968 52.060 54.000 0.047 0.000 0.877 147 D CB 1.303 42.144 40.800 0.068 0.000 1.111 147 D HN 0.415 nan 8.370 nan 0.000 0.478 148 P HA -0.069 nan 4.420 nan 0.000 0.222 148 P C 1.225 178.526 177.300 0.001 0.000 1.147 148 P CA 0.733 63.832 63.100 -0.002 0.000 0.790 148 P CB 0.279 31.967 31.700 -0.021 0.000 0.780 149 L N -1.297 119.931 121.223 0.007 0.000 2.592 149 L HA 0.178 4.517 4.340 -0.000 0.000 0.227 149 L C 1.368 178.249 176.870 0.018 0.000 1.127 149 L CA 0.257 55.102 54.840 0.007 0.000 0.884 149 L CB -0.202 41.858 42.059 0.002 0.000 1.065 149 L HN -0.164 nan 8.230 nan 0.000 0.457 150 R N -0.057 120.464 120.500 0.035 0.000 2.688 150 R HA 0.212 4.552 4.340 -0.000 0.000 0.396 150 R C -0.456 175.899 176.300 0.092 0.000 1.081 150 R CA -0.275 55.858 56.100 0.055 0.000 1.093 150 R CB 0.361 30.696 30.300 0.058 0.000 1.338 150 R HN 0.037 nan 8.270 nan 0.000 0.613 151 N N 0.672 119.404 118.700 0.053 0.000 2.443 151 N HA 0.346 5.086 4.740 -0.000 0.000 0.293 151 N C -0.648 174.784 175.510 -0.129 0.000 1.159 151 N CA -0.617 52.452 53.050 0.031 0.000 0.904 151 N CB 1.239 39.740 38.487 0.024 0.000 1.214 151 N HN 0.103 nan 8.380 nan 0.000 0.513 152 L N 2.219 123.201 121.223 -0.402 0.000 2.397 152 L HA 0.208 4.548 4.340 -0.000 0.000 0.263 152 L C 1.480 178.176 176.870 -0.289 0.000 1.136 152 L CA -0.310 54.181 54.840 -0.581 0.000 1.019 152 L CB 0.251 41.601 42.059 -1.181 0.000 1.352 152 L HN 0.629 nan 8.230 nan 0.000 0.420 153 S N -0.105 115.513 115.700 -0.137 0.000 2.423 153 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 153 S C 1.808 176.376 174.600 -0.053 0.000 1.014 153 S CA 0.847 59.013 58.200 -0.057 0.000 0.965 153 S CB -0.166 63.012 63.200 -0.037 0.000 0.785 153 S HN 0.645 nan 8.310 nan 0.000 0.495 154 G N 0.542 109.289 108.800 -0.088 0.000 2.744 154 G HA2 0.074 4.034 3.960 -0.000 0.000 0.211 154 G HA3 0.074 4.034 3.960 -0.000 0.000 0.211 154 G C 0.590 175.467 174.900 -0.038 0.000 1.143 154 G CA -0.255 44.812 45.100 -0.055 0.000 0.788 154 G HN 0.374 nan 8.290 nan 0.000 0.534 155 Q N 0.439 120.190 119.800 -0.082 0.000 2.361 155 Q HA 0.511 4.851 4.340 -0.000 0.000 0.276 155 Q C -0.082 175.958 176.000 0.067 0.000 1.022 155 Q CA 0.359 56.148 55.803 -0.024 0.000 0.898 155 Q CB 1.440 30.136 28.738 -0.069 0.000 1.246 155 Q HN 0.291 nan 8.270 nan 0.000 0.410 156 A N 1.655 124.530 122.820 0.092 0.000 2.610 156 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 156 A C -1.104 176.560 177.584 0.133 0.000 1.086 156 A CA -0.464 51.639 52.037 0.110 0.000 0.677 156 A CB 1.198 20.257 19.000 0.098 0.000 1.278 156 A HN 0.485 nan 8.150 nan 0.000 0.414 157 V N -2.466 117.539 119.914 0.152 0.000 3.102 157 V HA 0.951 5.071 4.120 -0.000 0.000 0.312 157 V C -0.505 175.690 176.094 0.168 0.000 1.135 157 V CA -0.564 61.842 62.300 0.175 0.000 1.022 157 V CB 1.641 33.613 31.823 0.249 0.000 1.056 157 V HN 0.933 nan 8.190 nan 0.000 0.436 158 T N 2.379 117.027 114.554 0.156 0.000 2.809 158 T HA 0.546 4.896 4.350 -0.000 0.000 0.284 158 T C -0.319 174.437 174.700 0.094 0.000 0.992 158 T CA -0.426 61.763 62.100 0.148 0.000 0.957 158 T CB 0.920 69.889 68.868 0.168 0.000 0.942 158 T HN 0.750 nan 8.240 nan 0.000 0.439 159 R N 2.803 123.349 120.500 0.076 0.000 2.471 159 R HA 0.588 4.928 4.340 -0.000 0.000 0.292 159 R C -0.565 175.756 176.300 0.035 0.000 1.192 159 R CA -0.570 55.541 56.100 0.019 0.000 1.257 159 R CB 0.563 30.849 30.300 -0.024 0.000 1.130 159 R HN 0.504 nan 8.270 nan 0.000 0.558 160 V N -1.713 118.220 119.914 0.033 0.000 3.120 160 V HA 0.430 4.550 4.120 -0.000 0.000 0.303 160 V C -0.018 176.090 176.094 0.024 0.000 1.238 160 V CA -1.191 61.133 62.300 0.040 0.000 1.008 160 V CB 1.870 33.732 31.823 0.065 0.000 1.064 160 V HN 0.126 nan 8.190 nan 0.000 0.434 161 V N 3.007 122.939 119.914 0.029 0.000 2.673 161 V HA 0.501 4.621 4.120 -0.000 0.000 0.303 161 V C 1.747 177.852 176.094 0.019 0.000 1.046 161 V CA 1.925 64.239 62.300 0.024 0.000 1.126 161 V CB 0.246 32.087 31.823 0.030 0.000 0.934 161 V HN 2.121 nan 8.190 nan 0.000 0.487 162 G N 3.184 111.988 108.800 0.007 0.000 2.199 162 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.254 162 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.254 162 G C 1.049 175.909 174.900 -0.067 0.000 0.982 162 G CA 0.381 45.471 45.100 -0.017 0.000 0.632 162 G HN 2.211 nan 8.290 nan 0.000 0.529 163 G N -0.102 108.666 108.800 -0.052 0.000 2.564 163 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 163 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 163 G C 1.107 175.900 174.900 -0.178 0.000 1.242 163 G CA 1.116 46.170 45.100 -0.077 0.000 0.951 163 G HN 1.110 nan 8.290 nan 0.000 0.564 164 M N 1.544 121.011 119.600 -0.221 0.000 2.557 164 M HA 0.018 4.498 4.480 -0.000 0.000 0.259 164 M C 2.706 178.699 176.300 -0.511 0.000 1.086 164 M CA 1.682 56.730 55.300 -0.420 0.000 1.096 164 M CB -0.195 32.291 32.600 -0.189 0.000 1.424 164 M HN 0.746 nan 8.290 nan 0.000 0.488 165 S N -0.253 115.162 115.700 -0.475 0.000 2.507 165 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 165 S C 1.760 176.190 174.600 -0.283 0.000 0.988 165 S CA 1.330 59.147 58.200 -0.639 0.000 0.944 165 S CB -0.987 61.865 63.200 -0.579 0.000 0.762 165 S HN 0.592 nan 8.310 nan 0.000 0.526 166 T N -0.515 113.868 114.554 -0.285 0.000 3.055 166 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 166 T C 1.294 175.808 174.700 -0.310 0.000 1.111 166 T CA 0.942 62.922 62.100 -0.201 0.000 1.118 166 T CB -0.668 68.196 68.868 -0.006 0.000 0.909 166 T HN 0.904 nan 8.240 nan 0.000 0.501 167 H N -1.825 117.128 119.070 -0.194 0.000 3.297 167 H HA 0.220 4.776 4.556 -0.000 0.000 0.254 167 H C 0.360 175.809 175.328 0.203 0.000 1.192 167 H CA -1.185 54.848 56.048 -0.026 0.000 1.058 167 H CB -0.715 29.128 29.762 0.133 0.000 1.777 167 H HN 0.504 nan 8.280 nan 0.000 0.696 168 W N 1.704 122.947 121.300 -0.094 0.000 1.975 168 W HA 0.565 5.225 4.660 -0.000 0.000 0.359 168 W C 0.199 176.710 176.519 -0.014 0.000 1.363 168 W CA -0.301 57.045 57.345 0.002 0.000 1.376 168 W CB -0.086 29.372 29.460 -0.005 0.000 1.231 168 W HN 0.010 nan 8.180 nan 0.000 0.641 169 A N 0.229 122.867 122.820 -0.304 0.000 2.387 169 A HA 0.360 4.680 4.320 -0.000 0.000 0.234 169 A C 1.081 178.174 177.584 -0.820 0.000 1.253 169 A CA 0.477 52.134 52.037 -0.634 0.000 0.894 169 A CB -0.917 17.806 19.000 -0.462 0.000 0.963 169 A HN 0.945 nan 8.150 nan 0.000 0.508 170 C N -1.823 116.596 119.300 -1.468 0.000 4.392 170 C HA -0.144 4.316 4.460 -0.000 0.000 0.280 170 C C 1.224 175.709 174.990 -0.842 0.000 1.381 170 C CA -0.271 57.666 59.018 -1.801 0.000 1.871 170 C CB -2.934 24.269 27.740 -0.895 0.000 1.323 170 C HN 1.131 nan 8.230 nan 0.000 0.772 171 A N 0.937 123.460 122.820 -0.495 0.000 2.362 171 A HA 0.609 4.929 4.320 -0.000 0.000 0.276 171 A C 0.731 178.216 177.584 -0.165 0.000 1.153 171 A CA 0.960 52.871 52.037 -0.211 0.000 0.813 171 A CB 0.267 19.224 19.000 -0.072 0.000 1.081 171 A HN 1.368 nan 8.150 nan 0.000 0.507 172 T N 1.402 115.880 114.554 -0.126 0.000 3.542 172 T HA 0.504 4.854 4.350 -0.000 0.000 0.276 172 T C -2.743 171.907 174.700 -0.083 0.000 1.412 172 T CA -1.337 60.722 62.100 -0.068 0.000 1.664 172 T CB 0.626 69.474 68.868 -0.034 0.000 0.863 172 T HN 0.460 nan 8.240 nan 0.000 0.661 173 P HA 0.405 nan 4.420 nan 0.000 0.279 173 P C -0.298 176.861 177.300 -0.235 0.000 1.252 173 P CA -0.662 62.344 63.100 -0.157 0.000 0.811 173 P CB 1.244 32.836 31.700 -0.180 0.000 1.035 174 R N 0.917 121.198 120.500 -0.366 0.000 2.490 174 R HA 0.391 4.731 4.340 -0.000 0.000 0.278 174 R C 0.050 176.226 176.300 -0.207 0.000 1.069 174 R CA -0.466 55.214 56.100 -0.701 0.000 1.080 174 R CB 0.210 29.995 30.300 -0.859 0.000 1.030 174 R HN 0.384 nan 8.270 nan 0.000 0.491 175 F N 2.076 121.785 119.950 -0.402 0.000 2.412 175 F HA 0.042 4.569 4.527 -0.000 0.000 0.348 175 F C 1.094 176.704 175.800 -0.317 0.000 1.102 175 F CA -1.394 56.405 58.000 -0.336 0.000 1.196 175 F CB 0.256 39.056 39.000 -0.334 0.000 1.144 175 F HN 0.543 nan 8.300 nan 0.000 0.541 176 D N 2.550 122.871 120.400 -0.132 0.000 2.411 176 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 176 D C 1.005 177.213 176.300 -0.154 0.000 1.201 176 D CA -0.453 53.470 54.000 -0.128 0.000 0.996 176 D CB 0.583 41.323 40.800 -0.100 0.000 1.101 176 D HN 0.472 nan 8.370 nan 0.000 0.504 177 R N -0.322 120.114 120.500 -0.107 0.000 2.103 177 R HA -0.169 4.171 4.340 -0.000 0.000 0.242 177 R C 2.013 178.259 176.300 -0.090 0.000 1.142 177 R CA 1.508 57.553 56.100 -0.091 0.000 0.960 177 R CB -0.251 30.033 30.300 -0.027 0.000 0.858 177 R HN 0.633 nan 8.270 nan 0.000 0.439 178 E N 0.417 120.563 120.200 -0.091 0.000 2.333 178 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 178 E C 1.390 177.894 176.600 -0.161 0.000 1.007 178 E CA 0.943 57.301 56.400 -0.069 0.000 0.845 178 E CB 0.231 29.942 29.700 0.018 0.000 0.766 178 E HN 0.417 nan 8.360 nan 0.000 0.507 179 Q N -0.726 118.897 119.800 -0.295 0.000 2.281 179 Q HA 0.141 4.481 4.340 -0.000 0.000 0.215 179 Q C 0.250 176.166 176.000 -0.139 0.000 0.867 179 Q CA -0.158 55.412 55.803 -0.388 0.000 0.940 179 Q CB 0.929 29.148 28.738 -0.864 0.000 1.111 179 Q HN -0.084 nan 8.270 nan 0.000 0.513 180 R N 1.983 122.434 120.500 -0.083 0.000 2.514 180 R HA 0.343 4.683 4.340 -0.000 0.000 0.301 180 R C -2.573 173.729 176.300 0.004 0.000 0.962 180 R CA -2.055 54.003 56.100 -0.070 0.000 0.882 180 R CB 1.203 31.278 30.300 -0.375 0.000 1.143 180 R HN -0.121 nan 8.270 nan 0.000 0.452 181 P HA 0.051 nan 4.420 nan 0.000 0.274 181 P C -0.528 176.946 177.300 0.291 0.000 1.231 181 P CA -0.183 63.020 63.100 0.172 0.000 0.790 181 P CB 0.765 32.563 31.700 0.163 0.000 0.951 182 L N 2.675 124.037 121.223 0.232 0.000 2.410 182 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 182 L C 1.770 178.785 176.870 0.241 0.000 1.152 182 L CA -0.087 54.945 54.840 0.321 0.000 0.855 182 L CB 0.109 42.404 42.059 0.393 0.000 1.129 182 L HN 0.376 nan 8.230 nan 0.000 0.463 183 L N 3.898 125.287 121.223 0.277 0.000 2.470 183 L HA 0.176 4.515 4.340 -0.000 0.000 0.219 183 L C -0.056 176.979 176.870 0.276 0.000 1.071 183 L CA 0.261 55.150 54.840 0.082 0.000 0.850 183 L CB 0.520 42.432 42.059 -0.245 0.000 1.040 183 L HN 0.337 nan 8.230 nan 0.000 0.475 184 V N 1.331 121.417 119.914 0.287 0.000 2.483 184 V HA 0.223 4.343 4.120 -0.000 0.000 0.297 184 V C -0.214 175.986 176.094 0.177 0.000 1.027 184 V CA -1.038 61.393 62.300 0.217 0.000 0.855 184 V CB 1.574 33.462 31.823 0.109 0.000 0.995 184 V HN 0.202 nan 8.190 nan 0.000 0.424 185 K N 2.170 122.570 120.400 0.001 0.000 2.126 185 K HA 0.455 4.775 4.320 -0.000 0.000 0.257 185 K C -0.178 176.401 176.600 -0.035 0.000 1.007 185 K CA -0.426 55.829 56.287 -0.054 0.000 0.928 185 K CB 0.584 32.935 32.500 -0.249 0.000 1.013 185 K HN 0.573 nan 8.250 nan 0.000 0.473 186 D N -0.388 120.007 120.400 -0.008 0.000 3.039 186 D HA -0.173 4.467 4.640 -0.000 0.000 0.222 186 D C -0.715 175.592 176.300 0.010 0.000 1.179 186 D CA 1.561 55.558 54.000 -0.005 0.000 0.880 186 D CB -0.945 39.838 40.800 -0.030 0.000 1.115 186 D HN 0.778 nan 8.370 nan 0.000 0.416 187 D N -1.148 119.270 120.400 0.030 0.000 2.527 187 D HA 0.475 5.115 4.640 -0.000 0.000 0.242 187 D C 1.021 177.357 176.300 0.061 0.000 1.285 187 D CA 0.241 54.263 54.000 0.037 0.000 0.886 187 D CB 0.501 41.318 40.800 0.029 0.000 1.402 187 D HN -0.001 nan 8.370 nan 0.000 0.528 188 A N 2.178 125.035 122.820 0.062 0.000 1.940 188 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 188 A C 1.665 179.297 177.584 0.081 0.000 1.176 188 A CA 1.469 53.552 52.037 0.077 0.000 0.631 188 A CB -0.002 19.035 19.000 0.062 0.000 0.814 188 A HN 0.420 nan 8.150 nan 0.000 0.446 189 D N -0.282 120.156 120.400 0.062 0.000 2.149 189 D HA 0.037 4.677 4.640 -0.000 0.000 0.201 189 D C 2.217 178.556 176.300 0.065 0.000 0.972 189 D CA 1.319 55.355 54.000 0.060 0.000 0.835 189 D CB -0.350 40.476 40.800 0.044 0.000 0.966 189 D HN 0.428 nan 8.370 nan 0.000 0.476 190 A N 0.774 123.630 122.820 0.059 0.000 1.930 190 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 190 A C 1.949 179.577 177.584 0.074 0.000 1.175 190 A CA 1.869 53.938 52.037 0.053 0.000 0.627 190 A CB -0.477 18.548 19.000 0.041 0.000 0.815 190 A HN 0.165 nan 8.150 nan 0.000 0.443 191 D N -0.388 120.080 120.400 0.113 0.000 2.097 191 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 191 D C 1.322 177.777 176.300 0.259 0.000 0.984 191 D CA 1.473 55.583 54.000 0.182 0.000 0.826 191 D CB -0.129 40.807 40.800 0.227 0.000 0.973 191 D HN 0.307 nan 8.370 nan 0.000 0.460 192 D N -0.363 120.160 120.400 0.206 0.000 2.117 192 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 192 D C 1.980 178.391 176.300 0.186 0.000 0.987 192 D CA 1.488 55.612 54.000 0.207 0.000 0.829 192 D CB -0.520 40.356 40.800 0.127 0.000 0.961 192 D HN 0.310 nan 8.370 nan 0.000 0.460 193 A N 0.529 123.419 122.820 0.117 0.000 1.902 193 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 193 A C 2.142 179.758 177.584 0.054 0.000 1.181 193 A CA 1.953 54.037 52.037 0.079 0.000 0.623 193 A CB -0.619 18.410 19.000 0.048 0.000 0.818 193 A HN 0.209 nan 8.150 nan 0.000 0.443 194 E N -0.914 119.296 120.200 0.017 0.000 2.058 194 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 194 E C 1.689 178.213 176.600 -0.127 0.000 0.997 194 E CA 1.694 58.040 56.400 -0.090 0.000 0.801 194 E CB -0.434 29.166 29.700 -0.166 0.000 0.746 194 E HN 0.728 nan 8.360 nan 0.000 0.450 195 W N 0.648 121.915 121.300 -0.056 0.000 2.363 195 W HA -0.104 4.555 4.660 -0.000 0.000 0.296 195 W C 2.123 178.635 176.519 -0.012 0.000 1.212 195 W CA 1.205 58.481 57.345 -0.115 0.000 1.260 195 W CB -0.304 29.131 29.460 -0.041 0.000 1.131 195 W HN 0.259 nan 8.180 nan 0.000 0.530 196 D N -0.006 120.571 120.400 0.295 0.000 2.117 196 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 196 D C 2.148 178.525 176.300 0.128 0.000 0.987 196 D CA 1.421 55.557 54.000 0.226 0.000 0.829 196 D CB -0.160 40.730 40.800 0.150 0.000 0.961 196 D HN -0.003 nan 8.370 nan 0.000 0.460 197 R N -0.374 120.155 120.500 0.049 0.000 2.075 197 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 197 R C 2.325 178.595 176.300 -0.051 0.000 1.126 197 R CA 0.921 57.015 56.100 -0.010 0.000 0.963 197 R CB -0.191 30.084 30.300 -0.042 0.000 0.858 197 R HN 0.255 nan 8.270 nan 0.000 0.435 198 L N -0.645 120.520 121.223 -0.096 0.000 2.072 198 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 198 L C 2.150 178.965 176.870 -0.091 0.000 1.079 198 L CA 0.915 55.646 54.840 -0.183 0.000 0.752 198 L CB -0.505 41.343 42.059 -0.352 0.000 0.906 198 L HN 0.172 nan 8.230 nan 0.000 0.436 199 Y N 0.393 120.703 120.300 0.016 0.000 2.242 199 Y HA -0.196 4.354 4.550 -0.000 0.000 0.291 199 Y C 2.848 178.732 175.900 -0.025 0.000 1.137 199 Y CA 1.339 59.454 58.100 0.026 0.000 1.181 199 Y CB -0.914 37.592 38.460 0.076 0.000 0.989 199 Y HN 0.113 nan 8.280 nan 0.000 0.527 200 T N -0.501 114.126 114.554 0.122 0.000 2.777 200 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 200 T C 1.984 176.660 174.700 -0.041 0.000 1.040 200 T CA 1.560 63.686 62.100 0.044 0.000 1.141 200 T CB -0.143 68.742 68.868 0.029 0.000 0.868 200 T HN 0.177 nan 8.240 nan 0.000 0.444 201 K N 1.002 121.327 120.400 -0.125 0.000 2.032 201 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 201 K C 2.486 178.794 176.600 -0.486 0.000 1.048 201 K CA 1.345 57.441 56.287 -0.319 0.000 0.927 201 K CB -0.362 31.912 32.500 -0.377 0.000 0.712 201 K HN 0.265 nan 8.250 nan 0.000 0.441 202 A N 1.034 123.664 122.820 -0.318 0.000 1.908 202 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 202 A C 1.884 179.472 177.584 0.007 0.000 1.181 202 A CA 1.954 53.861 52.037 -0.215 0.000 0.627 202 A CB -0.554 18.437 19.000 -0.015 0.000 0.818 202 A HN 0.479 nan 8.150 nan 0.000 0.445 203 E N 0.103 120.349 120.200 0.076 0.000 2.110 203 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 203 E C 2.393 179.074 176.600 0.134 0.000 0.988 203 E CA 1.410 57.899 56.400 0.149 0.000 0.804 203 E CB -0.169 29.590 29.700 0.098 0.000 0.745 203 E HN 0.832 nan 8.360 nan 0.000 0.458 204 S N 0.167 115.895 115.700 0.048 0.000 2.368 204 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 204 S C 1.917 176.651 174.600 0.224 0.000 1.030 204 S CA 0.860 59.118 58.200 0.097 0.000 0.999 204 S CB -0.496 62.741 63.200 0.061 0.000 0.844 204 S HN 0.215 nan 8.310 nan 0.000 0.459 205 Y N 0.609 120.927 120.300 0.030 0.000 2.181 205 Y HA 0.137 4.687 4.550 -0.000 0.000 0.288 205 Y C 2.107 178.042 175.900 0.060 0.000 1.146 205 Y CA -0.169 57.916 58.100 -0.025 0.000 1.164 205 Y CB -1.120 37.241 38.460 -0.166 0.000 0.982 205 Y HN 0.289 nan 8.280 nan 0.000 0.515 206 F N 0.304 120.405 119.950 0.252 0.000 2.710 206 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 206 F C 0.877 176.786 175.800 0.182 0.000 1.137 206 F CA 0.341 58.479 58.000 0.230 0.000 1.444 206 F CB -0.351 38.800 39.000 0.252 0.000 1.111 206 F HN 0.007 nan 8.300 nan 0.000 0.580 207 Q N 0.490 120.480 119.800 0.317 0.000 2.463 207 Q HA -0.195 4.145 4.340 -0.000 0.000 0.299 207 Q C 0.094 176.183 176.000 0.149 0.000 1.353 207 Q CA 0.740 56.657 55.803 0.190 0.000 0.828 207 Q CB -2.647 26.180 28.738 0.150 0.000 1.157 207 Q HN 0.206 nan 8.270 nan 0.000 0.436 208 T N -0.058 114.596 114.554 0.166 0.000 2.916 208 T HA 0.461 4.811 4.350 -0.000 0.000 0.303 208 T C 0.763 175.497 174.700 0.056 0.000 1.025 208 T CA 0.610 62.772 62.100 0.103 0.000 1.142 208 T CB 1.265 70.202 68.868 0.115 0.000 0.947 208 T HN 0.501 nan 8.240 nan 0.000 0.544 209 G N 0.661 109.478 108.800 0.029 0.000 2.682 209 G HA2 0.547 4.507 3.960 -0.000 0.000 0.290 209 G HA3 0.547 4.507 3.960 -0.000 0.000 0.290 209 G C -0.013 174.898 174.900 0.018 0.000 1.425 209 G CA -0.527 44.582 45.100 0.015 0.000 0.807 209 G HN 0.624 nan 8.290 nan 0.000 0.482 210 T N -2.428 112.137 114.554 0.019 0.000 3.393 210 T HA 0.280 4.630 4.350 -0.000 0.000 0.298 210 T C 0.121 174.842 174.700 0.035 0.000 1.004 210 T CA 0.528 62.650 62.100 0.037 0.000 0.956 210 T CB 0.366 69.260 68.868 0.044 0.000 1.182 210 T HN 0.526 nan 8.240 nan 0.000 0.497 211 D N 0.342 120.743 120.400 0.002 0.000 2.500 211 D HA 0.034 4.674 4.640 -0.000 0.000 0.218 211 D C 1.341 177.579 176.300 -0.103 0.000 1.140 211 D CA -0.029 53.951 54.000 -0.033 0.000 0.830 211 D CB -0.055 40.719 40.800 -0.043 0.000 1.055 211 D HN 0.271 nan 8.370 nan 0.000 0.512 212 Q N -0.272 119.462 119.800 -0.109 0.000 2.291 212 Q HA 0.098 4.438 4.340 -0.000 0.000 0.205 212 Q C 0.430 176.052 176.000 -0.631 0.000 0.970 212 Q CA 1.002 56.612 55.803 -0.322 0.000 0.876 212 Q CB -0.299 28.248 28.738 -0.319 0.000 0.935 212 Q HN 0.287 nan 8.270 nan 0.000 0.455 213 F N -0.013 119.771 119.950 -0.278 0.000 2.668 213 F HA 0.222 4.749 4.527 -0.000 0.000 0.301 213 F C 1.265 176.851 175.800 -0.356 0.000 1.106 213 F CA -0.466 57.323 58.000 -0.352 0.000 1.289 213 F CB 0.295 39.014 39.000 -0.469 0.000 1.006 213 F HN 0.012 nan 8.300 nan 0.000 0.535 214 K N 0.264 120.565 120.400 -0.165 0.000 2.283 214 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 214 K C 0.813 177.336 176.600 -0.127 0.000 1.048 214 K CA 1.511 57.761 56.287 -0.062 0.000 0.948 214 K CB -0.187 32.275 32.500 -0.064 0.000 0.742 214 K HN 0.294 nan 8.250 nan 0.000 0.458 215 E N 1.682 121.679 120.200 -0.339 0.000 2.451 215 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 215 E C -0.628 175.801 176.600 -0.285 0.000 1.027 215 E CA -0.330 55.656 56.400 -0.689 0.000 0.914 215 E CB 0.797 29.950 29.700 -0.912 0.000 1.054 215 E HN 0.226 nan 8.360 nan 0.000 0.461 216 S N 0.536 116.230 115.700 -0.009 0.000 2.523 216 S HA 0.175 4.645 4.470 -0.000 0.000 0.275 216 S C 1.199 175.896 174.600 0.161 0.000 1.281 216 S CA -0.480 57.774 58.200 0.090 0.000 1.050 216 S CB 0.568 63.877 63.200 0.182 0.000 0.937 216 S HN 0.202 nan 8.310 nan 0.000 0.492 217 I N 4.690 125.233 120.570 -0.046 0.000 2.252 217 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 217 I C 2.693 178.650 176.117 -0.267 0.000 1.102 217 I CA 0.980 62.014 61.300 -0.443 0.000 1.385 217 I CB -0.204 37.317 38.000 -0.798 0.000 1.064 217 I HN 0.702 nan 8.210 nan 0.000 0.414 218 R N -0.402 120.032 120.500 -0.109 0.000 2.081 218 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 218 R C 2.362 178.703 176.300 0.068 0.000 1.131 218 R CA 1.654 57.739 56.100 -0.024 0.000 0.960 218 R CB -0.658 29.641 30.300 -0.002 0.000 0.856 218 R HN 0.409 nan 8.270 nan 0.000 0.436 219 H N 1.251 120.350 119.070 0.048 0.000 2.290 219 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 219 H C 1.786 177.192 175.328 0.130 0.000 1.087 219 H CA 1.940 58.041 56.048 0.087 0.000 1.291 219 H CB -0.095 29.752 29.762 0.141 0.000 1.369 219 H HN 0.126 nan 8.280 nan 0.000 0.492 220 N N 0.022 118.848 118.700 0.211 0.000 2.244 220 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 220 N C 2.006 177.663 175.510 0.245 0.000 1.016 220 N CA 0.931 54.132 53.050 0.251 0.000 0.866 220 N CB -0.194 38.631 38.487 0.563 0.000 0.980 220 N HN 0.293 nan 8.380 nan 0.000 0.430 221 L N 1.363 122.738 121.223 0.253 0.000 1.989 221 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 221 L C 2.142 179.076 176.870 0.106 0.000 1.071 221 L CA 1.510 56.505 54.840 0.258 0.000 0.749 221 L CB -0.693 41.458 42.059 0.154 0.000 0.890 221 L HN -0.116 nan 8.230 nan 0.000 0.431 222 V N -0.791 119.136 119.914 0.022 0.000 2.453 222 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 222 V C 2.404 178.424 176.094 -0.123 0.000 1.048 222 V CA 1.466 63.743 62.300 -0.039 0.000 1.049 222 V CB -0.530 31.247 31.823 -0.077 0.000 0.672 222 V HN 0.525 nan 8.190 nan 0.000 0.457 223 L N 0.946 122.068 121.223 -0.170 0.000 1.994 223 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 223 L C 2.221 179.030 176.870 -0.103 0.000 1.071 223 L CA 2.072 56.802 54.840 -0.182 0.000 0.745 223 L CB -0.894 41.032 42.059 -0.221 0.000 0.892 223 L HN 0.285 nan 8.230 nan 0.000 0.431 224 N N 0.050 118.741 118.700 -0.015 0.000 2.120 224 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 224 N C 1.835 177.334 175.510 -0.019 0.000 1.024 224 N CA 1.437 54.494 53.050 0.013 0.000 0.852 224 N CB -0.382 38.138 38.487 0.055 0.000 1.003 224 N HN 0.295 nan 8.380 nan 0.000 0.424 225 K N 1.462 121.849 120.400 -0.022 0.000 2.032 225 K HA 0.026 4.346 4.320 -0.000 0.000 0.209 225 K C 1.972 178.528 176.600 -0.073 0.000 1.048 225 K CA 0.976 57.246 56.287 -0.028 0.000 0.927 225 K CB -0.522 31.980 32.500 0.003 0.000 0.712 225 K HN 0.133 nan 8.250 nan 0.000 0.441 226 L N 0.023 121.129 121.223 -0.195 0.000 2.046 226 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 226 L C 2.285 179.009 176.870 -0.243 0.000 1.077 226 L CA 1.788 56.391 54.840 -0.395 0.000 0.747 226 L CB -0.881 40.445 42.059 -1.221 0.000 0.896 226 L HN 0.270 nan 8.230 nan 0.000 0.432 227 T N -0.973 113.480 114.554 -0.168 0.000 2.746 227 T HA -0.216 4.133 4.350 -0.000 0.000 0.267 227 T C 1.804 176.578 174.700 0.124 0.000 1.039 227 T CA 1.573 63.739 62.100 0.111 0.000 1.142 227 T CB -0.077 68.856 68.868 0.108 0.000 0.866 227 T HN 0.214 nan 8.240 nan 0.000 0.444 228 E N 1.002 121.229 120.200 0.046 0.000 2.047 228 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 228 E C 2.345 178.956 176.600 0.018 0.000 0.987 228 E CA 0.979 57.396 56.400 0.029 0.000 0.799 228 E CB -0.128 29.569 29.700 -0.005 0.000 0.752 228 E HN 0.311 nan 8.360 nan 0.000 0.449 229 E N -0.591 119.600 120.200 -0.016 0.000 2.160 229 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 229 E C 0.786 177.267 176.600 -0.197 0.000 0.991 229 E CA 0.990 57.310 56.400 -0.133 0.000 0.810 229 E CB -0.160 29.405 29.700 -0.223 0.000 0.742 229 E HN 0.459 nan 8.360 nan 0.000 0.466 230 Y N 0.407 120.762 120.300 0.092 0.000 2.708 230 Y HA 0.189 4.739 4.550 -0.000 0.000 0.287 230 Y C 0.480 176.449 175.900 0.114 0.000 1.145 230 Y CA -0.322 57.861 58.100 0.139 0.000 1.249 230 Y CB 0.376 39.008 38.460 0.287 0.000 1.152 230 Y HN -0.317 nan 8.280 nan 0.000 0.532 231 K N 0.665 121.165 120.400 0.168 0.000 2.412 231 K HA 0.187 4.507 4.320 -0.000 0.000 0.284 231 K C 1.005 177.674 176.600 0.115 0.000 1.046 231 K CA 1.031 57.400 56.287 0.137 0.000 0.999 231 K CB 0.136 32.683 32.500 0.078 0.000 0.941 231 K HN 0.665 nan 8.250 nan 0.000 0.474 232 G N 3.243 112.113 108.800 0.117 0.000 2.157 232 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 232 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 232 G C 0.518 175.473 174.900 0.091 0.000 0.979 232 G CA 0.520 45.670 45.100 0.084 0.000 0.650 232 G HN 0.712 nan 8.290 nan 0.000 0.529 233 Q N -1.287 118.593 119.800 0.133 0.000 2.477 233 Q HA 0.328 4.668 4.340 -0.000 0.000 0.252 233 Q C 1.152 177.204 176.000 0.088 0.000 0.869 233 Q CA 0.243 56.122 55.803 0.126 0.000 0.969 233 Q CB 0.958 29.806 28.738 0.183 0.000 1.144 233 Q HN 0.480 nan 8.270 nan 0.000 0.577 234 R N 0.368 120.917 120.500 0.081 0.000 2.668 234 R HA 0.394 4.734 4.340 -0.000 0.000 0.272 234 R C -1.693 174.557 176.300 -0.085 0.000 1.019 234 R CA -0.722 55.314 56.100 -0.108 0.000 0.894 234 R CB 1.766 31.775 30.300 -0.485 0.000 1.228 234 R HN -0.058 nan 8.270 nan 0.000 0.460 235 D N 1.493 121.768 120.400 -0.209 0.000 2.256 235 D HA 0.408 5.048 4.640 -0.000 0.000 0.246 235 D C -0.896 175.211 176.300 -0.321 0.000 1.042 235 D CA -0.036 53.899 54.000 -0.109 0.000 0.841 235 D CB 1.372 42.148 40.800 -0.039 0.000 1.223 235 D HN 0.149 nan 8.370 nan 0.000 0.470 236 F N 1.165 121.120 119.950 0.009 0.000 2.508 236 F HA 0.389 4.916 4.527 -0.000 0.000 0.325 236 F C 0.723 176.537 175.800 0.024 0.000 1.090 236 F CA -0.618 57.382 58.000 -0.002 0.000 0.945 236 F CB 1.745 40.741 39.000 -0.008 0.000 1.156 236 F HN 0.192 nan 8.300 nan 0.000 0.463 237 Q N 0.333 120.241 119.800 0.180 0.000 2.693 237 Q HA 0.377 4.717 4.340 -0.000 0.000 0.306 237 Q C -1.426 174.688 176.000 0.189 0.000 0.969 237 Q CA -1.312 54.587 55.803 0.159 0.000 0.757 237 Q CB 1.745 30.542 28.738 0.099 0.000 1.494 237 Q HN 0.621 nan 8.270 nan 0.000 0.459 238 Q N 0.835 120.769 119.800 0.223 0.000 2.364 238 Q HA 0.209 4.549 4.340 -0.000 0.000 0.267 238 Q C -0.440 175.635 176.000 0.124 0.000 0.999 238 Q CA -0.196 55.750 55.803 0.238 0.000 0.886 238 Q CB 0.520 29.361 28.738 0.172 0.000 1.243 238 Q HN 0.562 nan 8.270 nan 0.000 0.415 239 I N 6.293 126.916 120.570 0.087 0.000 2.821 239 I HA -0.062 4.108 4.170 -0.000 0.000 0.294 239 I C -1.946 174.190 176.117 0.030 0.000 1.210 239 I CA -1.347 59.977 61.300 0.041 0.000 1.430 239 I CB 0.041 38.037 38.000 -0.006 0.000 1.356 239 I HN 0.449 nan 8.210 nan 0.000 0.563 240 P HA 0.251 nan 4.420 nan 0.000 0.271 240 P C -0.862 176.428 177.300 -0.016 0.000 1.233 240 P CA 0.117 63.220 63.100 0.004 0.000 0.764 240 P CB 0.490 32.181 31.700 -0.015 0.000 0.825 241 L N 2.433 123.657 121.223 0.002 0.000 2.365 241 L HA 0.626 4.965 4.340 -0.000 0.000 0.273 241 L C 0.415 177.278 176.870 -0.012 0.000 1.000 241 L CA -1.187 53.651 54.840 -0.003 0.000 0.819 241 L CB 2.063 44.185 42.059 0.105 0.000 1.284 241 L HN 0.248 nan 8.230 nan 0.000 0.418 242 A N 3.216 125.989 122.820 -0.079 0.000 2.539 242 A HA 0.745 5.064 4.320 -0.000 0.000 0.306 242 A C 0.072 177.691 177.584 0.058 0.000 1.392 242 A CA 0.191 52.225 52.037 -0.004 0.000 1.060 242 A CB -0.380 18.557 19.000 -0.105 0.000 1.134 242 A HN 0.832 nan 8.150 nan 0.000 0.542 243 A N 1.968 124.792 122.820 0.006 0.000 2.581 243 A HA 0.696 5.015 4.320 -0.000 0.000 0.294 243 A C -0.514 176.968 177.584 -0.169 0.000 1.035 243 A CA -0.476 51.476 52.037 -0.142 0.000 0.684 243 A CB 0.524 19.262 19.000 -0.436 0.000 1.282 243 A HN 0.714 nan 8.150 nan 0.000 0.417 244 T N 1.306 115.727 114.554 -0.222 0.000 2.841 244 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 244 T C -0.068 174.470 174.700 -0.270 0.000 0.991 244 T CA -0.445 61.543 62.100 -0.186 0.000 0.966 244 T CB 1.317 70.132 68.868 -0.089 0.000 0.962 244 T HN 0.745 nan 8.240 nan 0.000 0.438 245 R N 2.344 122.674 120.500 -0.282 0.000 2.347 245 R HA 0.267 4.607 4.340 -0.000 0.000 0.304 245 R C 0.782 176.982 176.300 -0.168 0.000 1.072 245 R CA -0.444 55.468 56.100 -0.313 0.000 0.980 245 R CB 0.391 30.474 30.300 -0.361 0.000 0.986 245 R HN 0.375 nan 8.270 nan 0.000 0.448 246 R N 1.236 121.686 120.500 -0.083 0.000 2.175 246 R HA 0.118 4.458 4.340 -0.000 0.000 0.202 246 R C 0.394 176.679 176.300 -0.025 0.000 1.018 246 R CA 0.849 56.945 56.100 -0.006 0.000 1.029 246 R CB -0.001 30.366 30.300 0.112 0.000 0.959 246 R HN 0.763 nan 8.270 nan 0.000 0.480 247 S N -1.580 114.107 115.700 -0.022 0.000 2.656 247 S HA 0.419 4.888 4.470 -0.000 0.000 0.273 247 S C -2.572 171.984 174.600 -0.074 0.000 1.168 247 S CA -1.124 57.053 58.200 -0.038 0.000 0.817 247 S CB 2.163 65.362 63.200 -0.001 0.000 1.146 247 S HN -0.255 nan 8.310 nan 0.000 0.475 248 P HA 0.046 nan 4.420 nan 0.000 0.225 248 P C 0.975 178.230 177.300 -0.076 0.000 1.148 248 P CA 1.524 64.567 63.100 -0.095 0.000 0.779 248 P CB -0.143 31.519 31.700 -0.063 0.000 0.780 249 T N -6.789 107.755 114.554 -0.016 0.000 3.040 249 T HA 0.267 4.617 4.350 -0.000 0.000 0.266 249 T C -0.142 174.603 174.700 0.075 0.000 1.005 249 T CA -0.298 61.816 62.100 0.023 0.000 0.906 249 T CB -0.436 68.469 68.868 0.062 0.000 1.082 249 T HN -0.117 nan 8.240 nan 0.000 0.531 250 F N 1.686 121.561 119.950 -0.126 0.000 2.557 250 F HA 0.655 5.182 4.527 -0.000 0.000 0.316 250 F C -1.516 174.137 175.800 -0.244 0.000 1.141 250 F CA -1.143 56.776 58.000 -0.134 0.000 0.922 250 F CB 1.974 40.917 39.000 -0.095 0.000 1.194 250 F HN -0.139 nan 8.300 nan 0.000 0.443 251 V N 5.071 124.443 119.914 -0.903 0.000 2.417 251 V HA 0.271 4.391 4.120 -0.000 0.000 0.291 251 V C -0.336 175.116 176.094 -1.069 0.000 1.024 251 V CA -0.844 60.888 62.300 -0.946 0.000 0.861 251 V CB 1.617 32.679 31.823 -1.268 0.000 0.985 251 V HN 0.733 nan 8.190 nan 0.000 0.436 252 E N 4.641 124.520 120.200 -0.535 0.000 1.941 252 E HA 0.141 4.491 4.350 -0.000 0.000 0.275 252 E C -0.903 175.509 176.600 -0.313 0.000 1.113 252 E CA -0.551 55.699 56.400 -0.250 0.000 0.878 252 E CB 0.353 30.076 29.700 0.038 0.000 1.070 252 E HN 0.631 nan 8.360 nan 0.000 0.399 253 W N 2.990 124.163 121.300 -0.212 0.000 2.210 253 W HA 0.064 4.724 4.660 -0.000 0.000 0.330 253 W C 0.582 177.105 176.519 0.006 0.000 1.334 253 W CA -0.532 56.667 57.345 -0.243 0.000 1.227 253 W CB 0.712 29.780 29.460 -0.652 0.000 1.178 253 W HN 0.314 nan 8.180 nan 0.000 0.560 254 S N 1.677 117.592 115.700 0.357 0.000 2.652 254 S HA 0.671 5.141 4.470 -0.000 0.000 0.270 254 S C 0.098 175.133 174.600 0.725 0.000 1.243 254 S CA -0.706 57.767 58.200 0.456 0.000 0.999 254 S CB 1.379 64.855 63.200 0.459 0.000 0.973 254 S HN 0.514 nan 8.310 nan 0.000 0.544 255 S N -0.299 115.764 115.700 0.604 0.000 2.724 255 S HA 0.685 5.155 4.470 -0.000 0.000 0.278 255 S C 0.823 175.609 174.600 0.310 0.000 1.190 255 S CA -0.311 58.184 58.200 0.491 0.000 0.860 255 S CB 0.461 63.879 63.200 0.363 0.000 1.206 255 S HN 0.746 nan 8.310 nan 0.000 0.507 256 A N 1.560 124.458 122.820 0.131 0.000 1.958 256 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 256 A C 2.000 179.620 177.584 0.060 0.000 1.178 256 A CA 2.226 54.295 52.037 0.053 0.000 0.642 256 A CB -1.515 17.486 19.000 0.001 0.000 0.816 256 A HN 0.862 nan 8.150 nan 0.000 0.453 257 N N -0.657 118.091 118.700 0.080 0.000 2.244 257 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 257 N C 1.450 176.978 175.510 0.031 0.000 1.016 257 N CA 1.886 54.957 53.050 0.035 0.000 0.866 257 N CB -0.203 38.317 38.487 0.055 0.000 0.980 257 N HN 0.462 nan 8.380 nan 0.000 0.430 258 T N 0.374 114.994 114.554 0.109 0.000 2.821 258 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 258 T C 2.065 176.793 174.700 0.045 0.000 1.046 258 T CA 0.974 63.144 62.100 0.116 0.000 1.139 258 T CB -0.125 68.888 68.868 0.242 0.000 0.871 258 T HN 0.041 nan 8.240 nan 0.000 0.454 259 V N -0.404 119.517 119.914 0.012 0.000 2.323 259 V HA 0.151 4.271 4.120 -0.000 0.000 0.244 259 V C 0.494 176.532 176.094 -0.094 0.000 1.041 259 V CA 0.970 63.200 62.300 -0.117 0.000 1.025 259 V CB -0.329 31.382 31.823 -0.187 0.000 0.656 259 V HN 0.477 nan 8.190 nan 0.000 0.451 260 F N 0.991 120.809 119.950 -0.221 0.000 2.630 260 F HA 0.379 4.906 4.527 -0.000 0.000 0.325 260 F C 0.304 175.984 175.800 -0.199 0.000 1.184 260 F CA -1.642 56.200 58.000 -0.262 0.000 1.011 260 F CB 1.406 40.198 39.000 -0.347 0.000 1.268 260 F HN 0.154 nan 8.300 nan 0.000 0.480 261 D N 4.996 124.936 120.400 -0.766 0.000 2.371 261 D HA -0.079 4.561 4.640 -0.000 0.000 0.221 261 D C 1.183 177.219 176.300 -0.441 0.000 0.986 261 D CA 1.135 54.847 54.000 -0.479 0.000 0.899 261 D CB -0.026 40.547 40.800 -0.378 0.000 0.902 261 D HN 0.701 nan 8.370 nan 0.000 0.530 262 L N -2.015 118.793 121.223 -0.692 0.000 4.696 262 L HA -0.233 4.107 4.340 -0.000 0.000 0.425 262 L C -0.292 176.555 176.870 -0.039 0.000 1.115 262 L CA 0.456 55.173 54.840 -0.204 0.000 0.996 262 L CB -1.298 40.762 42.059 0.001 0.000 2.077 262 L HN 0.249 nan 8.230 nan 0.000 0.792 263 Q N 0.888 120.566 119.800 -0.203 0.000 2.288 263 Q HA 0.278 4.617 4.340 -0.000 0.000 0.254 263 Q C 0.321 176.383 176.000 0.103 0.000 0.932 263 Q CA -0.368 55.401 55.803 -0.057 0.000 0.902 263 Q CB 0.846 29.517 28.738 -0.112 0.000 1.203 263 Q HN 0.113 nan 8.270 nan 0.000 0.415 264 N N 2.042 120.796 118.700 0.090 0.000 2.353 264 N HA 0.023 4.763 4.740 -0.000 0.000 0.248 264 N C -0.331 175.236 175.510 0.095 0.000 1.240 264 N CA 0.602 53.702 53.050 0.084 0.000 0.862 264 N CB 0.507 38.957 38.487 -0.060 0.000 1.086 264 N HN 0.271 nan 8.380 nan 0.000 0.453 265 R N 1.303 121.885 120.500 0.136 0.000 2.725 265 R HA 0.459 4.799 4.340 -0.000 0.000 0.277 265 R C -2.514 173.841 176.300 0.091 0.000 0.987 265 R CA -1.568 54.606 56.100 0.123 0.000 0.901 265 R CB 2.257 32.663 30.300 0.177 0.000 1.207 265 R HN 0.391 nan 8.270 nan 0.000 0.463 266 P HA 0.110 nan 4.420 nan 0.000 0.275 266 P C -1.380 175.967 177.300 0.078 0.000 1.228 266 P CA -0.274 62.901 63.100 0.125 0.000 0.786 266 P CB 0.763 32.583 31.700 0.200 0.000 0.927 267 N N -1.071 117.665 118.700 0.060 0.000 3.157 267 N HA 0.264 5.004 4.740 -0.000 0.000 0.291 267 N C 0.751 176.275 175.510 0.023 0.000 1.515 267 N CA -0.683 52.385 53.050 0.031 0.000 0.807 267 N CB -0.595 37.898 38.487 0.009 0.000 1.672 267 N HN 0.258 nan 8.380 nan 0.000 0.592 268 T N -3.739 110.820 114.554 0.009 0.000 2.962 268 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 268 T C 0.395 175.095 174.700 0.000 0.000 1.088 268 T CA 1.300 63.403 62.100 0.004 0.000 1.127 268 T CB -0.506 68.361 68.868 -0.002 0.000 0.883 268 T HN 0.543 nan 8.240 nan 0.000 0.493 269 D N 2.012 122.409 120.400 -0.006 0.000 2.249 269 D HA 0.202 4.842 4.640 -0.000 0.000 0.205 269 D C 0.930 177.228 176.300 -0.002 0.000 0.962 269 D CA 0.700 54.693 54.000 -0.012 0.000 0.860 269 D CB 0.145 40.927 40.800 -0.029 0.000 0.955 269 D HN 0.588 nan 8.370 nan 0.000 0.505 270 A N 1.955 124.782 122.820 0.012 0.000 2.842 270 A HA 0.353 4.673 4.320 -0.000 0.000 0.339 270 A C -1.936 175.690 177.584 0.070 0.000 1.177 270 A CA -1.095 50.965 52.037 0.037 0.000 0.797 270 A CB 1.134 20.159 19.000 0.041 0.000 1.094 270 A HN -0.151 nan 8.150 nan 0.000 0.474 271 P HA -0.049 nan 4.420 nan 0.000 0.225 271 P C 0.491 177.874 177.300 0.138 0.000 1.156 271 P CA 1.052 64.195 63.100 0.073 0.000 0.787 271 P CB 0.511 32.222 31.700 0.019 0.000 0.802 272 E N -0.107 120.187 120.200 0.157 0.000 2.481 272 E HA 0.125 4.475 4.350 -0.000 0.000 0.198 272 E C 0.312 177.160 176.600 0.414 0.000 1.027 272 E CA 0.160 56.737 56.400 0.295 0.000 0.900 272 E CB 0.484 30.257 29.700 0.121 0.000 0.993 272 E HN 0.511 nan 8.360 nan 0.000 0.482 273 E N 0.929 121.283 120.200 0.256 0.000 2.227 273 E HA 0.496 4.846 4.350 -0.000 0.000 0.268 273 E C -0.205 176.462 176.600 0.111 0.000 0.990 273 E CA -0.567 55.933 56.400 0.166 0.000 0.856 273 E CB 1.472 31.257 29.700 0.141 0.000 1.159 273 E HN -0.165 nan 8.360 nan 0.000 0.401 274 R N 1.670 122.207 120.500 0.061 0.000 2.500 274 R HA 0.447 4.787 4.340 -0.000 0.000 0.299 274 R C -1.584 174.809 176.300 0.156 0.000 1.038 274 R CA -0.518 55.590 56.100 0.013 0.000 0.903 274 R CB 1.003 31.203 30.300 -0.168 0.000 1.177 274 R HN 0.420 nan 8.270 nan 0.000 0.455 275 F N 1.963 121.902 119.950 -0.018 0.000 2.635 275 F HA 0.448 4.975 4.527 -0.000 0.000 0.314 275 F C -1.779 173.951 175.800 -0.116 0.000 1.119 275 F CA -0.649 57.327 58.000 -0.040 0.000 1.000 275 F CB 2.142 41.184 39.000 0.070 0.000 1.278 275 F HN 0.403 nan 8.300 nan 0.000 0.446 276 N N 4.451 122.425 118.700 -1.209 0.000 2.371 276 N HA 0.569 5.309 4.740 -0.000 0.000 0.291 276 N C -2.080 172.401 175.510 -1.715 0.000 1.053 276 N CA -0.617 51.718 53.050 -1.193 0.000 0.870 276 N CB 2.350 40.335 38.487 -0.836 0.000 1.503 276 N HN 0.585 nan 8.380 nan 0.000 0.485 277 L N 2.501 122.937 121.223 -1.312 0.000 2.307 277 L HA 0.663 5.003 4.340 -0.000 0.000 0.282 277 L C -1.626 174.669 176.870 -0.959 0.000 1.051 277 L CA -0.239 54.061 54.840 -0.900 0.000 0.804 277 L CB 0.185 42.070 42.059 -0.290 0.000 1.197 277 L HN 0.457 nan 8.230 nan 0.000 0.431 278 F N 5.990 125.706 119.950 -0.391 0.000 2.532 278 F HA 0.543 5.069 4.527 -0.000 0.000 0.365 278 F C -2.184 173.567 175.800 -0.081 0.000 1.112 278 F CA -1.960 55.905 58.000 -0.224 0.000 1.082 278 F CB 0.973 39.828 39.000 -0.242 0.000 1.319 278 F HN 0.407 nan 8.300 nan 0.000 0.457 279 P HA 0.361 nan 4.420 nan 0.000 0.278 279 P C -0.084 177.273 177.300 0.095 0.000 1.258 279 P CA -0.267 62.877 63.100 0.074 0.000 0.811 279 P CB 1.301 33.023 31.700 0.037 0.000 1.063 280 A N -0.479 122.378 122.820 0.063 0.000 2.791 280 A HA -0.087 4.232 4.320 -0.000 0.000 0.292 280 A C -0.108 177.501 177.584 0.042 0.000 1.487 280 A CA 0.683 52.747 52.037 0.045 0.000 0.760 280 A CB -2.413 16.616 19.000 0.048 0.000 1.031 280 A HN 0.265 nan 8.150 nan 0.000 0.503 281 V N -0.276 119.678 119.914 0.067 0.000 2.443 281 V HA 0.678 4.798 4.120 -0.000 0.000 0.293 281 V C 0.571 176.668 176.094 0.006 0.000 1.021 281 V CA -0.302 62.037 62.300 0.065 0.000 0.848 281 V CB 1.586 33.540 31.823 0.220 0.000 0.998 281 V HN 1.507 nan 8.190 nan 0.000 0.424 282 A N 4.154 126.947 122.820 -0.045 0.000 2.302 282 A HA 0.466 4.786 4.320 -0.000 0.000 0.295 282 A C 0.111 177.675 177.584 -0.035 0.000 1.235 282 A CA -0.183 51.817 52.037 -0.062 0.000 0.876 282 A CB -0.045 18.952 19.000 -0.005 0.000 1.133 282 A HN 0.868 nan 8.150 nan 0.000 0.533 283 C N 2.880 122.138 119.300 -0.069 0.000 2.394 283 C HA 0.305 4.765 4.460 -0.000 0.000 0.362 283 C C 1.392 176.352 174.990 -0.051 0.000 1.268 283 C CA -0.211 58.757 59.018 -0.083 0.000 1.828 283 C CB -0.527 27.156 27.740 -0.096 0.000 2.442 283 C HN 1.011 nan 8.230 nan 0.000 0.549 284 E N 0.909 121.097 120.200 -0.020 0.000 2.330 284 E HA 0.140 4.490 4.350 -0.000 0.000 0.200 284 E C 0.364 176.942 176.600 -0.036 0.000 0.922 284 E CA 0.405 56.799 56.400 -0.009 0.000 0.935 284 E CB 0.554 30.272 29.700 0.030 0.000 0.917 284 E HN 0.600 nan 8.360 nan 0.000 0.491 285 R N 0.394 120.867 120.500 -0.045 0.000 2.604 285 R HA 0.224 4.564 4.340 -0.000 0.000 0.261 285 R C -1.386 174.841 176.300 -0.123 0.000 1.080 285 R CA -0.463 55.581 56.100 -0.093 0.000 0.917 285 R CB 2.283 32.497 30.300 -0.144 0.000 1.252 285 R HN -0.072 nan 8.270 nan 0.000 0.456 286 V N 0.070 119.903 119.914 -0.136 0.000 2.532 286 V HA 0.651 4.771 4.120 -0.000 0.000 0.295 286 V C -0.115 175.861 176.094 -0.197 0.000 1.041 286 V CA -0.745 61.442 62.300 -0.188 0.000 0.926 286 V CB 1.768 33.456 31.823 -0.224 0.000 0.992 286 V HN 0.385 nan 8.190 nan 0.000 0.457 287 V N 5.245 125.018 119.914 -0.234 0.000 2.383 287 V HA 0.443 4.563 4.120 -0.000 0.000 0.275 287 V C 0.644 176.674 176.094 -0.106 0.000 1.036 287 V CA -0.467 61.714 62.300 -0.197 0.000 0.889 287 V CB 0.831 32.533 31.823 -0.201 0.000 0.985 287 V HN 0.934 nan 8.190 nan 0.000 0.459 288 R N 3.919 124.384 120.500 -0.059 0.000 2.490 288 R HA 0.260 4.600 4.340 -0.000 0.000 0.280 288 R C 0.382 176.708 176.300 0.043 0.000 1.077 288 R CA -0.504 55.635 56.100 0.066 0.000 1.065 288 R CB 0.554 30.877 30.300 0.038 0.000 1.003 288 R HN 0.868 nan 8.270 nan 0.000 0.470 289 N N 1.661 120.403 118.700 0.071 0.000 2.317 289 N HA 0.012 4.752 4.740 -0.000 0.000 0.245 289 N C 0.546 176.050 175.510 -0.009 0.000 1.294 289 N CA 0.049 53.109 53.050 0.017 0.000 0.924 289 N CB 0.430 38.923 38.487 0.010 0.000 1.186 289 N HN 0.548 nan 8.380 nan 0.000 0.495 290 A N 0.153 122.961 122.820 -0.020 0.000 1.972 290 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 290 A C 2.123 179.679 177.584 -0.046 0.000 1.169 290 A CA 0.880 52.899 52.037 -0.030 0.000 0.635 290 A CB -0.788 18.198 19.000 -0.023 0.000 0.810 290 A HN 0.638 nan 8.150 nan 0.000 0.446 291 L N -0.655 120.531 121.223 -0.061 0.000 2.599 291 L HA -0.003 4.337 4.340 -0.000 0.000 0.230 291 L C -0.034 176.745 176.870 -0.152 0.000 1.141 291 L CA -0.064 54.724 54.840 -0.087 0.000 0.877 291 L CB -0.412 41.596 42.059 -0.083 0.000 1.009 291 L HN 0.405 nan 8.230 nan 0.000 0.447 292 N N 0.082 118.679 118.700 -0.170 0.000 2.738 292 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 292 N C 0.876 175.814 175.510 -0.954 0.000 1.047 292 N CA 1.057 53.905 53.050 -0.336 0.000 0.707 292 N CB -1.240 37.182 38.487 -0.108 0.000 0.937 292 N HN 0.528 nan 8.380 nan 0.000 0.545 293 S N -2.090 113.176 115.700 -0.722 0.000 2.632 293 S HA 0.284 4.754 4.470 -0.000 0.000 0.237 293 S C 0.288 174.625 174.600 -0.439 0.000 1.037 293 S CA -0.183 57.623 58.200 -0.656 0.000 1.009 293 S CB 1.572 64.608 63.200 -0.273 0.000 0.974 293 S HN 0.399 nan 8.310 nan 0.000 0.544 294 E N 0.231 120.299 120.200 -0.220 0.000 2.375 294 E HA 0.431 4.781 4.350 -0.000 0.000 0.280 294 E C -1.747 175.044 176.600 0.319 0.000 0.972 294 E CA -0.843 55.653 56.400 0.161 0.000 0.782 294 E CB 1.307 31.069 29.700 0.103 0.000 1.229 294 E HN 0.086 nan 8.360 nan 0.000 0.439 295 I N 3.489 124.211 120.570 0.253 0.000 2.365 295 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 295 I C 0.892 176.965 176.117 -0.073 0.000 1.004 295 I CA 0.061 61.341 61.300 -0.034 0.000 1.311 295 I CB 1.270 39.038 38.000 -0.386 0.000 1.401 295 I HN 0.689 nan 8.210 nan 0.000 0.491 296 E N 3.330 123.486 120.200 -0.073 0.000 2.415 296 E HA 0.074 4.424 4.350 -0.000 0.000 0.197 296 E C 0.267 176.906 176.600 0.066 0.000 1.007 296 E CA 0.309 56.727 56.400 0.031 0.000 0.890 296 E CB 0.618 30.342 29.700 0.042 0.000 0.891 296 E HN 0.708 nan 8.360 nan 0.000 0.496 297 S N -0.218 115.446 115.700 -0.061 0.000 2.595 297 S HA 0.466 4.936 4.470 -0.000 0.000 0.270 297 S C -1.599 173.000 174.600 -0.001 0.000 1.145 297 S CA -1.081 57.178 58.200 0.099 0.000 0.825 297 S CB 1.312 64.626 63.200 0.190 0.000 1.107 297 S HN 0.022 nan 8.310 nan 0.000 0.461 298 L N 2.006 123.342 121.223 0.188 0.000 2.325 298 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 298 L C -0.884 176.091 176.870 0.176 0.000 1.004 298 L CA -0.135 54.770 54.840 0.109 0.000 0.823 298 L CB 1.144 43.277 42.059 0.124 0.000 1.236 298 L HN 0.923 nan 8.230 nan 0.000 0.415 299 H N 6.204 125.235 119.070 -0.065 0.000 2.562 299 H HA 0.520 5.076 4.556 -0.000 0.000 0.314 299 H C -0.386 174.896 175.328 -0.077 0.000 1.079 299 H CA -0.552 55.466 56.048 -0.051 0.000 1.349 299 H CB 1.446 31.184 29.762 -0.040 0.000 1.432 299 H HN 0.697 nan 8.280 nan 0.000 0.479 300 I N 0.115 120.688 120.570 0.005 0.000 2.846 300 I HA 0.395 4.565 4.170 -0.000 0.000 0.307 300 I C -0.815 175.358 176.117 0.093 0.000 1.053 300 I CA -0.916 60.364 61.300 -0.034 0.000 1.050 300 I CB 2.941 40.799 38.000 -0.236 0.000 1.239 300 I HN 0.591 nan 8.210 nan 0.000 0.439 301 H N 3.534 122.595 119.070 -0.015 0.000 2.800 301 H HA 0.222 4.778 4.556 -0.000 0.000 0.322 301 H C -1.522 173.837 175.328 0.052 0.000 0.979 301 H CA -0.662 55.391 56.048 0.008 0.000 1.277 301 H CB 1.446 31.214 29.762 0.011 0.000 1.484 301 H HN 0.799 nan 8.280 nan 0.000 0.512 302 D N 6.038 126.442 120.400 0.005 0.000 2.338 302 D HA 0.001 4.641 4.640 -0.000 0.000 0.255 302 D C 1.257 177.418 176.300 -0.232 0.000 1.237 302 D CA -0.170 53.812 54.000 -0.031 0.000 0.883 302 D CB 0.913 41.798 40.800 0.142 0.000 1.087 302 D HN 0.688 nan 8.370 nan 0.000 0.485 303 L N 3.967 125.031 121.223 -0.265 0.000 2.362 303 L HA -0.134 4.206 4.340 -0.000 0.000 0.219 303 L C 1.871 178.695 176.870 -0.077 0.000 1.134 303 L CA 0.214 54.904 54.840 -0.251 0.000 0.807 303 L CB -0.149 41.850 42.059 -0.101 0.000 0.927 303 L HN 0.503 nan 8.230 nan 0.000 0.447 304 I N -0.411 120.147 120.570 -0.020 0.000 2.429 304 I HA -0.125 4.045 4.170 -0.000 0.000 0.247 304 I C 2.716 178.850 176.117 0.028 0.000 1.099 304 I CA 1.567 62.877 61.300 0.017 0.000 1.422 304 I CB -1.075 36.948 38.000 0.038 0.000 1.112 304 I HN 0.273 nan 8.210 nan 0.000 0.430 305 S N 0.052 115.776 115.700 0.040 0.000 2.439 305 S HA 0.198 4.668 4.470 -0.000 0.000 0.224 305 S C 1.818 176.446 174.600 0.047 0.000 1.029 305 S CA 0.758 58.987 58.200 0.050 0.000 0.946 305 S CB 0.294 63.539 63.200 0.075 0.000 0.797 305 S HN 0.532 nan 8.310 nan 0.000 0.504 306 G N 1.034 109.870 108.800 0.060 0.000 2.213 306 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.236 306 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.236 306 G C -0.462 174.504 174.900 0.110 0.000 0.991 306 G CA 0.045 45.225 45.100 0.133 0.000 0.629 306 G HN 0.546 nan 8.290 nan 0.000 0.517 307 D N 0.667 121.073 120.400 0.011 0.000 2.362 307 D HA 0.525 5.165 4.640 -0.000 0.000 0.242 307 D C 0.805 176.974 176.300 -0.218 0.000 1.132 307 D CA 0.261 54.133 54.000 -0.213 0.000 0.907 307 D CB 0.569 41.121 40.800 -0.414 0.000 1.195 307 D HN 0.294 nan 8.370 nan 0.000 0.429 308 R N 1.419 121.668 120.500 -0.419 0.000 2.480 308 R HA 0.493 4.833 4.340 -0.000 0.000 0.306 308 R C -0.945 175.040 176.300 -0.525 0.000 0.958 308 R CA -0.641 55.279 56.100 -0.301 0.000 0.861 308 R CB 1.055 31.230 30.300 -0.210 0.000 1.171 308 R HN 0.304 nan 8.270 nan 0.000 0.445 309 F N 0.419 120.281 119.950 -0.146 0.000 2.603 309 F HA 0.266 4.793 4.527 -0.000 0.000 0.317 309 F C 0.186 175.809 175.800 -0.294 0.000 1.066 309 F CA -1.103 56.785 58.000 -0.188 0.000 0.941 309 F CB 1.761 40.678 39.000 -0.138 0.000 1.291 309 F HN 0.414 nan 8.300 nan 0.000 0.472 310 E N 2.108 122.284 120.200 -0.041 0.000 2.156 310 E HA 0.565 4.915 4.350 -0.000 0.000 0.279 310 E C -1.379 175.260 176.600 0.065 0.000 0.965 310 E CA -0.592 55.777 56.400 -0.052 0.000 0.789 310 E CB 1.401 31.068 29.700 -0.056 0.000 1.098 310 E HN 0.323 nan 8.360 nan 0.000 0.397 311 I N 2.924 123.544 120.570 0.082 0.000 2.441 311 I HA 0.313 4.483 4.170 -0.000 0.000 0.295 311 I C 0.075 176.317 176.117 0.207 0.000 0.994 311 I CA -0.874 60.492 61.300 0.110 0.000 1.144 311 I CB 1.416 39.448 38.000 0.054 0.000 1.314 311 I HN 0.635 nan 8.210 nan 0.000 0.445 312 K N 4.128 124.641 120.400 0.190 0.000 2.221 312 K HA 0.848 5.168 4.320 -0.000 0.000 0.258 312 K C -0.773 175.907 176.600 0.134 0.000 0.944 312 K CA -0.521 55.894 56.287 0.212 0.000 0.823 312 K CB 2.727 35.310 32.500 0.139 0.000 1.113 312 K HN 0.794 nan 8.250 nan 0.000 0.431 313 A N 1.753 124.579 122.820 0.011 0.000 2.569 313 A HA 0.343 4.662 4.320 -0.000 0.000 0.290 313 A C -0.384 177.083 177.584 -0.195 0.000 1.136 313 A CA -0.649 51.249 52.037 -0.232 0.000 0.710 313 A CB 1.052 19.704 19.000 -0.580 0.000 1.303 313 A HN 0.682 nan 8.150 nan 0.000 0.413 314 D N -0.545 119.777 120.400 -0.130 0.000 2.149 314 D HA 0.103 4.743 4.640 -0.000 0.000 0.201 314 D C 0.307 176.500 176.300 -0.180 0.000 0.972 314 D CA 1.704 55.685 54.000 -0.032 0.000 0.835 314 D CB 0.157 40.992 40.800 0.057 0.000 0.966 314 D HN 0.215 nan 8.370 nan 0.000 0.476 315 V N 0.763 120.436 119.914 -0.402 0.000 2.588 315 V HA 0.267 4.387 4.120 -0.000 0.000 0.304 315 V C -1.245 174.593 176.094 -0.427 0.000 1.042 315 V CA -0.879 61.184 62.300 -0.394 0.000 0.877 315 V CB 1.714 33.203 31.823 -0.556 0.000 0.996 315 V HN -0.057 nan 8.190 nan 0.000 0.425 316 Y N 3.067 123.351 120.300 -0.026 0.000 2.328 316 Y HA 0.640 5.189 4.550 -0.000 0.000 0.337 316 Y C 0.003 175.862 175.900 -0.067 0.000 0.966 316 Y CA -0.889 57.184 58.100 -0.044 0.000 1.136 316 Y CB 1.930 40.366 38.460 -0.040 0.000 1.170 316 Y HN 0.360 nan 8.280 nan 0.000 0.470 317 V N 5.657 125.528 119.914 -0.073 0.000 2.384 317 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 317 V C -0.277 175.679 176.094 -0.230 0.000 1.020 317 V CA -0.889 61.256 62.300 -0.259 0.000 0.850 317 V CB 1.423 32.883 31.823 -0.605 0.000 0.987 317 V HN 0.598 nan 8.190 nan 0.000 0.436 318 L N 5.408 126.491 121.223 -0.233 0.000 2.262 318 L HA 0.547 4.887 4.340 -0.000 0.000 0.288 318 L C 0.329 177.089 176.870 -0.183 0.000 1.035 318 L CA -0.161 54.563 54.840 -0.194 0.000 0.820 318 L CB 1.491 43.418 42.059 -0.220 0.000 1.204 318 L HN 0.813 nan 8.230 nan 0.000 0.424 319 T N -1.426 113.057 114.554 -0.118 0.000 3.732 319 T HA 0.390 4.740 4.350 -0.000 0.000 0.234 319 T C 0.505 175.207 174.700 0.003 0.000 1.146 319 T CA -0.193 61.880 62.100 -0.045 0.000 1.454 319 T CB 1.005 69.849 68.868 -0.040 0.000 0.910 319 T HN 0.534 nan 8.240 nan 0.000 0.640 320 A N 0.765 123.597 122.820 0.020 0.000 2.423 320 A HA 0.805 5.125 4.320 -0.000 0.000 0.246 320 A C 1.324 178.983 177.584 0.124 0.000 1.278 320 A CA 0.015 52.084 52.037 0.054 0.000 0.903 320 A CB -0.685 18.342 19.000 0.044 0.000 0.997 320 A HN 1.770 nan 8.150 nan 0.000 0.510 321 G N -2.401 106.474 108.800 0.125 0.000 2.662 321 G HA2 0.270 4.230 3.960 -0.000 0.000 0.686 321 G HA3 0.270 4.230 3.960 -0.000 0.000 0.686 321 G C 0.734 175.746 174.900 0.186 0.000 1.271 321 G CA -0.336 44.853 45.100 0.149 0.000 0.816 321 G HN 1.287 nan 8.290 nan 0.000 0.608 322 A N -0.319 122.600 122.820 0.164 0.000 1.972 322 A HA 0.238 4.558 4.320 -0.000 0.000 0.219 322 A C 2.612 180.294 177.584 0.164 0.000 1.169 322 A CA 3.098 55.230 52.037 0.159 0.000 0.635 322 A CB -0.289 18.770 19.000 0.097 0.000 0.810 322 A HN 1.570 nan 8.150 nan 0.000 0.446 323 V N -0.987 118.985 119.914 0.097 0.000 2.302 323 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 323 V C 2.207 178.305 176.094 0.006 0.000 1.036 323 V CA 2.116 64.429 62.300 0.022 0.000 1.020 323 V CB -1.031 30.694 31.823 -0.163 0.000 0.657 323 V HN 0.725 nan 8.190 nan 0.000 0.453 324 H N -0.106 119.045 119.070 0.136 0.000 2.495 324 H HA -0.029 4.527 4.556 -0.000 0.000 0.287 324 H C 2.260 177.590 175.328 0.002 0.000 1.033 324 H CA 0.998 57.084 56.048 0.063 0.000 1.307 324 H CB 0.048 29.828 29.762 0.030 0.000 1.401 324 H HN 0.318 nan 8.280 nan 0.000 0.555 325 N N -0.149 118.627 118.700 0.127 0.000 2.104 325 N HA -0.121 4.618 4.740 -0.000 0.000 0.190 325 N C 1.743 177.225 175.510 -0.046 0.000 1.024 325 N CA 1.742 54.789 53.050 -0.005 0.000 0.853 325 N CB -0.456 37.996 38.487 -0.059 0.000 1.008 325 N HN 0.319 nan 8.380 nan 0.000 0.424 326 T N 0.811 115.410 114.554 0.075 0.000 2.777 326 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 326 T C 1.834 176.376 174.700 -0.263 0.000 1.040 326 T CA 1.030 63.172 62.100 0.070 0.000 1.141 326 T CB -0.133 68.919 68.868 0.307 0.000 0.868 326 T HN 0.363 nan 8.240 nan 0.000 0.444 327 Q N 0.391 119.945 119.800 -0.410 0.000 2.050 327 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 327 Q C 2.355 178.084 176.000 -0.452 0.000 0.980 327 Q CA 1.125 56.390 55.803 -0.895 0.000 0.840 327 Q CB -0.283 28.259 28.738 -0.326 0.000 0.898 327 Q HN 0.478 nan 8.270 nan 0.000 0.424 328 L N 0.424 121.519 121.223 -0.213 0.000 2.017 328 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 328 L C 2.349 179.130 176.870 -0.150 0.000 1.073 328 L CA 0.960 55.709 54.840 -0.153 0.000 0.745 328 L CB -0.190 41.800 42.059 -0.115 0.000 0.894 328 L HN 0.335 nan 8.230 nan 0.000 0.432 329 L N -1.361 119.755 121.223 -0.179 0.000 2.012 329 L HA -0.266 4.073 4.340 -0.000 0.000 0.210 329 L C 2.432 179.322 176.870 0.034 0.000 1.073 329 L CA 1.248 56.010 54.840 -0.131 0.000 0.748 329 L CB -0.662 41.234 42.059 -0.273 0.000 0.891 329 L HN 0.114 nan 8.230 nan 0.000 0.431 330 V N -0.214 119.649 119.914 -0.086 0.000 2.427 330 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 330 V C 2.090 178.150 176.094 -0.056 0.000 1.051 330 V CA 1.868 64.140 62.300 -0.048 0.000 1.048 330 V CB -0.726 31.030 31.823 -0.112 0.000 0.666 330 V HN 0.481 nan 8.190 nan 0.000 0.456 331 N N 0.184 118.814 118.700 -0.118 0.000 2.520 331 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 331 N C 1.490 176.970 175.510 -0.050 0.000 1.068 331 N CA 1.172 54.177 53.050 -0.075 0.000 0.911 331 N CB -0.041 38.391 38.487 -0.091 0.000 0.961 331 N HN 0.422 nan 8.380 nan 0.000 0.446 332 S N -1.666 114.023 115.700 -0.019 0.000 2.557 332 S HA 0.357 4.826 4.470 -0.000 0.000 0.223 332 S C 1.065 175.621 174.600 -0.074 0.000 0.969 332 S CA 0.167 58.357 58.200 -0.016 0.000 0.927 332 S CB 0.699 63.936 63.200 0.061 0.000 0.806 332 S HN 0.507 nan 8.310 nan 0.000 0.489 333 G N 1.165 109.926 108.800 -0.064 0.000 2.159 333 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 333 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 333 G C -0.083 174.698 174.900 -0.198 0.000 0.986 333 G CA -0.622 44.394 45.100 -0.140 0.000 0.651 333 G HN 0.420 nan 8.290 nan 0.000 0.523 334 F N 1.074 120.984 119.950 -0.066 0.000 2.389 334 F HA 0.513 5.040 4.527 -0.000 0.000 0.337 334 F C 1.633 177.434 175.800 0.002 0.000 1.112 334 F CA 1.096 59.069 58.000 -0.044 0.000 1.192 334 F CB 1.002 39.944 39.000 -0.097 0.000 1.185 334 F HN 0.770 nan 8.300 nan 0.000 0.552 335 G N 2.184 111.114 108.800 0.216 0.000 2.566 335 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.280 335 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.280 335 G C -0.752 174.218 174.900 0.116 0.000 1.225 335 G CA -0.030 45.169 45.100 0.166 0.000 0.966 335 G HN 0.803 nan 8.290 nan 0.000 0.560 336 Q N -1.063 118.813 119.800 0.126 0.000 2.285 336 Q HA 0.626 4.966 4.340 -0.000 0.000 0.269 336 Q C -0.957 175.126 176.000 0.137 0.000 1.030 336 Q CA -0.972 54.888 55.803 0.095 0.000 0.788 336 Q CB 1.767 30.542 28.738 0.062 0.000 1.266 336 Q HN 0.839 nan 8.270 nan 0.000 0.438 337 L N 3.577 124.868 121.223 0.114 0.000 2.371 337 L HA 0.777 5.117 4.340 -0.000 0.000 0.272 337 L C 0.272 177.226 176.870 0.139 0.000 1.124 337 L CA 1.692 56.625 54.840 0.155 0.000 0.816 337 L CB 1.002 43.125 42.059 0.106 0.000 1.129 337 L HN 0.812 nan 8.230 nan 0.000 0.448 338 G N 3.693 112.632 108.800 0.231 0.000 2.685 338 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.387 338 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.387 338 G C -0.591 174.240 174.900 -0.114 0.000 1.324 338 G CA -0.296 44.903 45.100 0.165 0.000 0.878 338 G HN 0.917 nan 8.290 nan 0.000 0.527 339 R N 0.864 121.096 120.500 -0.447 0.000 2.502 339 R HA 0.342 4.682 4.340 -0.000 0.000 0.292 339 R C -1.816 174.062 176.300 -0.702 0.000 0.998 339 R CA -0.512 54.888 56.100 -1.167 0.000 1.056 339 R CB -0.048 29.837 30.300 -0.692 0.000 0.939 339 R HN 0.361 nan 8.270 nan 0.000 0.411 340 P HA -0.048 nan 4.420 nan 0.000 0.266 340 P C -1.265 175.877 177.300 -0.264 0.000 1.193 340 P CA 0.327 63.193 63.100 -0.390 0.000 0.770 340 P CB 0.400 31.895 31.700 -0.343 0.000 0.836 341 N N 2.266 120.873 118.700 -0.155 0.000 2.621 341 N HA 0.226 4.966 4.740 -0.000 0.000 0.271 341 N C -2.024 173.445 175.510 -0.068 0.000 1.181 341 N CA -1.566 51.418 53.050 -0.109 0.000 0.805 341 N CB 1.007 39.438 38.487 -0.093 0.000 1.351 341 N HN 0.095 nan 8.380 nan 0.000 0.539 342 P HA -0.048 nan 4.420 nan 0.000 0.216 342 P C 0.462 177.746 177.300 -0.026 0.000 1.153 342 P CA 0.651 63.729 63.100 -0.037 0.000 0.848 342 P CB 0.089 31.768 31.700 -0.036 0.000 0.787 343 A N 0.097 122.899 122.820 -0.030 0.000 2.849 343 A HA 0.010 4.330 4.320 -0.000 0.000 0.246 343 A C 0.161 177.732 177.584 -0.021 0.000 1.820 343 A CA 0.444 52.467 52.037 -0.022 0.000 1.512 343 A CB -2.108 16.879 19.000 -0.023 0.000 0.884 343 A HN 0.333 nan 8.150 nan 0.000 0.626 344 N N 0.415 119.104 118.700 -0.018 0.000 3.804 344 N HA 0.035 4.774 4.740 -0.000 0.000 0.127 344 N C -3.235 172.271 175.510 -0.007 0.000 1.217 344 N CA -0.807 52.234 53.050 -0.014 0.000 1.795 344 N CB 0.629 39.105 38.487 -0.019 0.000 1.663 344 N HN 0.148 nan 8.380 nan 0.000 0.723 345 P HA -0.007 nan 4.420 nan 0.000 0.261 345 P C -2.416 174.893 177.300 0.016 0.000 1.158 345 P CA -0.169 62.938 63.100 0.011 0.000 0.758 345 P CB -0.293 31.413 31.700 0.011 0.000 0.763 346 P HA 0.129 nan 4.420 nan 0.000 0.271 346 P C 1.254 178.571 177.300 0.028 0.000 1.218 346 P CA -0.098 63.022 63.100 0.033 0.000 0.780 346 P CB 0.678 32.414 31.700 0.060 0.000 0.901 347 E N 0.597 120.804 120.200 0.012 0.000 2.048 347 E HA -0.149 4.201 4.350 -0.000 0.000 0.202 347 E C 0.180 176.800 176.600 0.035 0.000 1.021 347 E CA 1.301 57.705 56.400 0.006 0.000 0.825 347 E CB -0.053 29.632 29.700 -0.024 0.000 0.756 347 E HN 0.384 nan 8.360 nan 0.000 0.454 348 L N 0.291 121.542 121.223 0.048 0.000 2.365 348 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 348 L C -0.016 176.967 176.870 0.189 0.000 1.000 348 L CA -0.685 54.226 54.840 0.119 0.000 0.819 348 L CB 1.910 44.002 42.059 0.055 0.000 1.284 348 L HN 0.147 nan 8.230 nan 0.000 0.418 349 L N 2.990 124.345 121.223 0.221 0.000 3.713 349 L HA -0.168 4.172 4.340 -0.000 0.000 0.499 349 L C -1.450 175.527 176.870 0.179 0.000 1.281 349 L CA -0.474 54.500 54.840 0.225 0.000 0.796 349 L CB -0.902 41.323 42.059 0.275 0.000 1.535 349 L HN 0.601 nan 8.230 nan 0.000 0.851 350 P HA -0.121 nan 4.420 nan 0.000 0.223 350 P C 1.228 178.624 177.300 0.161 0.000 1.144 350 P CA 1.094 64.270 63.100 0.127 0.000 0.783 350 P CB 0.320 32.077 31.700 0.096 0.000 0.771 351 S N -0.765 115.048 115.700 0.188 0.000 2.548 351 S HA 0.068 4.538 4.470 -0.000 0.000 0.215 351 S C 0.802 175.559 174.600 0.262 0.000 0.976 351 S CA -0.412 57.944 58.200 0.260 0.000 0.908 351 S CB -0.609 62.728 63.200 0.228 0.000 0.781 351 S HN 0.072 nan 8.310 nan 0.000 0.519 352 L N 2.502 123.858 121.223 0.221 0.000 2.534 352 L HA 0.381 4.721 4.340 -0.000 0.000 0.271 352 L C 1.177 178.190 176.870 0.240 0.000 1.178 352 L CA 1.072 56.045 54.840 0.222 0.000 0.907 352 L CB -0.447 41.729 42.059 0.196 0.000 1.164 352 L HN 0.347 nan 8.230 nan 0.000 0.482 353 G N 2.417 111.369 108.800 0.253 0.000 2.162 353 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 353 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 353 G C 0.461 175.493 174.900 0.221 0.000 0.976 353 G CA 0.378 45.629 45.100 0.252 0.000 0.655 353 G HN 0.804 nan 8.290 nan 0.000 0.533 354 S N -1.565 114.272 115.700 0.229 0.000 2.718 354 S HA 0.646 5.116 4.470 -0.000 0.000 0.300 354 S C 0.398 175.153 174.600 0.260 0.000 1.117 354 S CA 0.082 58.365 58.200 0.138 0.000 1.002 354 S CB 0.837 64.057 63.200 0.034 0.000 1.092 354 S HN 0.917 nan 8.310 nan 0.000 0.542 355 Y N -0.903 119.469 120.300 0.120 0.000 4.177 355 Y HA -0.203 4.346 4.550 -0.000 0.000 0.227 355 Y C 0.490 176.476 175.900 0.144 0.000 1.154 355 Y CA 0.208 58.378 58.100 0.116 0.000 1.887 355 Y CB -2.172 36.351 38.460 0.105 0.000 1.594 355 Y HN 0.604 nan 8.280 nan 0.000 0.668 356 I N -0.069 120.655 120.570 0.257 0.000 2.634 356 I HA 0.489 4.659 4.170 -0.000 0.000 0.284 356 I C 0.666 176.951 176.117 0.281 0.000 1.124 356 I CA 0.386 61.837 61.300 0.252 0.000 1.417 356 I CB 1.313 39.458 38.000 0.242 0.000 1.396 356 I HN 0.205 nan 8.210 nan 0.000 0.571 357 T N 1.900 116.581 114.554 0.213 0.000 2.893 357 T HA 0.706 5.056 4.350 -0.000 0.000 0.291 357 T C -0.669 174.060 174.700 0.048 0.000 1.028 357 T CA -0.677 61.536 62.100 0.189 0.000 0.995 357 T CB 2.112 71.043 68.868 0.105 0.000 1.051 357 T HN 0.836 nan 8.240 nan 0.000 0.470 358 E N 1.066 121.272 120.200 0.009 0.000 2.343 358 E HA 0.341 4.691 4.350 -0.000 0.000 0.278 358 E C -1.201 175.490 176.600 0.152 0.000 0.910 358 E CA -0.503 55.852 56.400 -0.076 0.000 0.757 358 E CB 2.034 31.470 29.700 -0.439 0.000 1.218 358 E HN 0.726 nan 8.360 nan 0.000 0.435 359 Q N 1.093 120.995 119.800 0.170 0.000 2.299 359 Q HA 0.495 4.835 4.340 -0.000 0.000 0.246 359 Q C -0.419 175.759 176.000 0.297 0.000 0.935 359 Q CA -0.529 55.427 55.803 0.254 0.000 0.887 359 Q CB 1.293 30.208 28.738 0.295 0.000 1.223 359 Q HN 0.459 nan 8.270 nan 0.000 0.439 360 S N 1.358 117.168 115.700 0.183 0.000 2.564 360 S HA 0.308 4.778 4.470 -0.000 0.000 0.278 360 S C -0.756 173.865 174.600 0.035 0.000 1.333 360 S CA -0.464 57.720 58.200 -0.026 0.000 1.048 360 S CB 0.350 63.440 63.200 -0.184 0.000 0.900 360 S HN 0.349 nan 8.310 nan 0.000 0.505 361 L N 5.095 126.297 121.223 -0.035 0.000 2.376 361 L HA 0.680 5.020 4.340 -0.000 0.000 0.275 361 L C -0.771 175.920 176.870 -0.298 0.000 0.987 361 L CA -0.666 54.043 54.840 -0.217 0.000 0.828 361 L CB 1.542 43.431 42.059 -0.284 0.000 1.249 361 L HN 0.460 nan 8.230 nan 0.000 0.409 362 V N 2.231 121.899 119.914 -0.409 0.000 2.581 362 V HA 0.737 4.856 4.120 -0.000 0.000 0.303 362 V C -0.997 174.940 176.094 -0.262 0.000 1.041 362 V CA -0.613 61.372 62.300 -0.525 0.000 0.907 362 V CB 1.598 32.919 31.823 -0.836 0.000 0.994 362 V HN 0.757 nan 8.190 nan 0.000 0.442 363 F N 5.270 124.985 119.950 -0.391 0.000 2.591 363 F HA 0.878 5.405 4.527 -0.000 0.000 0.309 363 F C -0.387 175.299 175.800 -0.190 0.000 1.098 363 F CA -0.485 57.384 58.000 -0.218 0.000 0.937 363 F CB 1.544 40.447 39.000 -0.162 0.000 1.250 363 F HN 1.205 nan 8.300 nan 0.000 0.447 364 C N 3.372 122.150 119.300 -0.869 0.000 3.311 364 C HA 0.785 5.245 4.460 -0.000 0.000 0.325 364 C C -1.767 172.866 174.990 -0.596 0.000 1.352 364 C CA -0.646 57.881 59.018 -0.818 0.000 1.308 364 C CB 1.668 29.109 27.740 -0.499 0.000 1.619 364 C HN 0.939 nan 8.230 nan 0.000 0.469 365 Q N 0.954 120.560 119.800 -0.324 0.000 2.377 365 Q HA 0.742 5.082 4.340 -0.000 0.000 0.271 365 Q C -0.320 175.760 176.000 0.134 0.000 1.077 365 Q CA -0.213 55.605 55.803 0.026 0.000 0.820 365 Q CB 2.716 31.456 28.738 0.004 0.000 1.347 365 Q HN 0.934 nan 8.270 nan 0.000 0.444 366 T N -2.413 112.295 114.554 0.258 0.000 2.942 366 T HA 0.692 5.042 4.350 -0.000 0.000 0.289 366 T C -0.391 174.391 174.700 0.136 0.000 1.044 366 T CA -0.722 61.481 62.100 0.172 0.000 1.023 366 T CB 1.235 70.226 68.868 0.206 0.000 1.123 366 T HN 0.257 nan 8.240 nan 0.000 0.512 367 V N 2.499 122.455 119.914 0.070 0.000 2.384 367 V HA 0.400 4.520 4.120 -0.000 0.000 0.287 367 V C 0.293 176.411 176.094 0.040 0.000 1.020 367 V CA -0.921 61.410 62.300 0.052 0.000 0.850 367 V CB 1.136 32.976 31.823 0.030 0.000 0.987 367 V HN 1.007 nan 8.190 nan 0.000 0.436 368 M N 4.656 124.288 119.600 0.053 0.000 2.250 368 M HA 0.130 4.609 4.480 -0.000 0.000 0.337 368 M C 0.857 177.171 176.300 0.023 0.000 1.161 368 M CA 0.678 56.008 55.300 0.050 0.000 1.088 368 M CB 0.695 33.323 32.600 0.047 0.000 1.639 368 M HN 0.913 nan 8.290 nan 0.000 0.447 369 S N 2.300 118.010 115.700 0.017 0.000 2.579 369 S HA 0.099 4.569 4.470 -0.000 0.000 0.275 369 S C 1.000 175.606 174.600 0.010 0.000 1.345 369 S CA -0.201 57.999 58.200 -0.000 0.000 1.031 369 S CB 0.508 63.703 63.200 -0.008 0.000 0.892 369 S HN 0.805 nan 8.310 nan 0.000 0.529 370 T N 1.912 116.468 114.554 0.003 0.000 2.665 370 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 370 T C 1.607 176.316 174.700 0.016 0.000 1.035 370 T CA 1.987 64.093 62.100 0.010 0.000 1.151 370 T CB -0.544 68.326 68.868 0.004 0.000 0.862 370 T HN 0.782 nan 8.240 nan 0.000 0.438 371 E N 0.597 120.803 120.200 0.010 0.000 2.085 371 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 371 E C 2.246 178.866 176.600 0.033 0.000 0.994 371 E CA 0.924 57.333 56.400 0.015 0.000 0.801 371 E CB -0.295 29.407 29.700 0.004 0.000 0.743 371 E HN 0.424 nan 8.360 nan 0.000 0.453 372 L N 0.645 121.890 121.223 0.037 0.000 2.093 372 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 372 L C 2.336 179.249 176.870 0.072 0.000 1.085 372 L CA 0.372 55.249 54.840 0.062 0.000 0.755 372 L CB -0.178 41.918 42.059 0.062 0.000 0.904 372 L HN 0.203 nan 8.230 nan 0.000 0.435 373 I N -0.162 120.438 120.570 0.051 0.000 2.252 373 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 373 I C 2.111 178.263 176.117 0.059 0.000 1.102 373 I CA 1.363 62.691 61.300 0.046 0.000 1.385 373 I CB -1.080 36.938 38.000 0.029 0.000 1.064 373 I HN 0.255 nan 8.210 nan 0.000 0.414 374 D N 0.827 121.259 120.400 0.054 0.000 2.149 374 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 374 D C 2.342 178.692 176.300 0.083 0.000 0.990 374 D CA 1.703 55.738 54.000 0.059 0.000 0.839 374 D CB -0.136 40.690 40.800 0.043 0.000 0.948 374 D HN 0.374 nan 8.370 nan 0.000 0.460 375 S N -0.102 115.657 115.700 0.098 0.000 2.447 375 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 375 S C 2.120 176.866 174.600 0.243 0.000 1.006 375 S CA 0.577 58.863 58.200 0.143 0.000 0.957 375 S CB -0.426 62.852 63.200 0.130 0.000 0.773 375 S HN 0.085 nan 8.310 nan 0.000 0.507 376 V N 2.684 122.721 119.914 0.204 0.000 2.490 376 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 376 V C 2.072 178.308 176.094 0.237 0.000 1.061 376 V CA 2.033 64.487 62.300 0.256 0.000 1.064 376 V CB -0.750 31.144 31.823 0.118 0.000 0.670 376 V HN 0.799 nan 8.190 nan 0.000 0.461 377 K N 0.031 120.527 120.400 0.160 0.000 2.514 377 K HA 0.198 4.518 4.320 -0.000 0.000 0.207 377 K C 1.587 178.250 176.600 0.105 0.000 1.035 377 K CA 0.655 57.019 56.287 0.127 0.000 1.113 377 K CB 0.223 32.780 32.500 0.095 0.000 0.846 377 K HN 0.390 nan 8.250 nan 0.000 0.491 378 S N 0.945 116.720 115.700 0.126 0.000 2.400 378 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 378 S C 1.079 175.691 174.600 0.020 0.000 1.025 378 S CA 1.312 59.547 58.200 0.058 0.000 0.993 378 S CB -0.273 62.939 63.200 0.020 0.000 0.808 378 S HN 0.281 nan 8.310 nan 0.000 0.478 379 D N 0.796 121.214 120.400 0.030 0.000 2.340 379 D HA 0.214 4.854 4.640 -0.000 0.000 0.220 379 D C 0.179 176.514 176.300 0.059 0.000 1.039 379 D CA 0.312 54.316 54.000 0.007 0.000 0.866 379 D CB -0.022 40.760 40.800 -0.030 0.000 0.913 379 D HN 0.377 nan 8.370 nan 0.000 0.523 380 M N 0.293 119.930 119.600 0.062 0.000 2.274 380 M HA 0.230 4.710 4.480 -0.000 0.000 0.344 380 M C 0.272 176.601 176.300 0.049 0.000 1.161 380 M CA -0.020 55.326 55.300 0.077 0.000 1.126 380 M CB 1.122 33.761 32.600 0.065 0.000 1.522 380 M HN -0.348 nan 8.290 nan 0.000 0.461 381 T N 4.109 118.686 114.554 0.038 0.000 2.770 381 T HA 0.697 5.047 4.350 -0.000 0.000 0.283 381 T C -0.016 174.661 174.700 -0.038 0.000 0.988 381 T CA -0.383 61.718 62.100 0.002 0.000 0.957 381 T CB 0.550 69.415 68.868 -0.005 0.000 0.930 381 T HN 0.430 nan 8.240 nan 0.000 0.443 382 I N 3.854 124.398 120.570 -0.044 0.000 2.389 382 I HA 0.533 4.703 4.170 -0.000 0.000 0.288 382 I C 0.268 176.339 176.117 -0.075 0.000 0.999 382 I CA -0.783 60.456 61.300 -0.102 0.000 1.129 382 I CB 1.410 39.399 38.000 -0.018 0.000 1.288 382 I HN 0.310 nan 8.210 nan 0.000 0.444 383 R N 3.813 124.230 120.500 -0.138 0.000 2.744 383 R HA 0.794 5.133 4.340 -0.000 0.000 0.279 383 R C -0.152 176.163 176.300 0.024 0.000 0.977 383 R CA -0.770 55.306 56.100 -0.039 0.000 0.906 383 R CB 2.292 32.565 30.300 -0.044 0.000 1.197 383 R HN 0.878 nan 8.270 nan 0.000 0.463 384 G N 0.704 109.571 108.800 0.111 0.000 2.728 384 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.294 384 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.294 384 G C -0.912 174.168 174.900 0.300 0.000 1.342 384 G CA -0.778 44.432 45.100 0.183 0.000 0.866 384 G HN 0.504 nan 8.290 nan 0.000 0.534 385 T N 2.956 117.638 114.554 0.213 0.000 2.794 385 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 385 T C -2.458 172.128 174.700 -0.189 0.000 0.987 385 T CA -0.759 61.378 62.100 0.062 0.000 0.993 385 T CB 1.971 70.845 68.868 0.010 0.000 0.939 385 T HN 0.518 nan 8.240 nan 0.000 0.449 386 P HA 0.231 nan 4.420 nan 0.000 0.265 386 P C 1.065 178.089 177.300 -0.461 0.000 1.193 386 P CA 0.890 63.348 63.100 -1.069 0.000 0.765 386 P CB 0.286 31.563 31.700 -0.706 0.000 0.823 387 G N 1.410 109.999 108.800 -0.352 0.000 2.195 387 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.246 387 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.246 387 G C -0.064 174.793 174.900 -0.071 0.000 0.984 387 G CA -0.298 44.713 45.100 -0.148 0.000 0.633 387 G HN 0.567 nan 8.290 nan 0.000 0.525 388 E N -0.101 120.070 120.200 -0.048 0.000 2.222 388 E HA 0.593 4.943 4.350 -0.000 0.000 0.267 388 E C 1.284 177.920 176.600 0.059 0.000 0.963 388 E CA -0.852 55.555 56.400 0.012 0.000 0.837 388 E CB 1.353 31.066 29.700 0.022 0.000 1.183 388 E HN 0.095 nan 8.360 nan 0.000 0.403 389 L N 0.577 121.829 121.223 0.047 0.000 2.187 389 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 389 L C 2.357 179.269 176.870 0.070 0.000 1.100 389 L CA 1.685 56.557 54.840 0.053 0.000 0.765 389 L CB -0.915 41.164 42.059 0.033 0.000 0.904 389 L HN 0.657 nan 8.230 nan 0.000 0.437 390 T N -4.284 110.317 114.554 0.078 0.000 3.118 390 T HA -0.135 4.215 4.350 -0.000 0.000 0.260 390 T C 0.572 175.346 174.700 0.122 0.000 1.139 390 T CA -0.146 62.001 62.100 0.078 0.000 1.085 390 T CB -0.432 68.474 68.868 0.064 0.000 0.934 390 T HN 0.143 nan 8.240 nan 0.000 0.518 391 Y N 3.680 123.981 120.300 0.003 0.000 2.442 391 Y HA 0.412 4.962 4.550 -0.000 0.000 0.330 391 Y C 0.288 176.191 175.900 0.005 0.000 1.129 391 Y CA -0.571 57.531 58.100 0.004 0.000 1.365 391 Y CB 0.435 38.897 38.460 0.002 0.000 1.233 391 Y HN 0.370 nan 8.280 nan 0.000 0.529 392 S N 4.158 119.582 115.700 -0.461 0.000 2.556 392 S HA 0.797 5.267 4.470 -0.000 0.000 0.271 392 S C -1.963 172.337 174.600 -0.501 0.000 1.135 392 S CA -0.970 56.980 58.200 -0.416 0.000 0.858 392 S CB 1.505 64.603 63.200 -0.170 0.000 1.114 392 S HN 0.476 nan 8.310 nan 0.000 0.468 393 V N 2.425 122.150 119.914 -0.315 0.000 2.482 393 V HA 0.799 4.919 4.120 -0.000 0.000 0.295 393 V C -0.085 175.987 176.094 -0.036 0.000 1.026 393 V CA 0.018 62.211 62.300 -0.179 0.000 0.856 393 V CB 1.297 33.041 31.823 -0.130 0.000 1.001 393 V HN 1.271 nan 8.190 nan 0.000 0.424 394 T N 1.827 116.386 114.554 0.009 0.000 2.865 394 T HA 0.905 5.255 4.350 -0.000 0.000 0.294 394 T C -1.034 173.766 174.700 0.165 0.000 1.119 394 T CA -0.754 61.380 62.100 0.057 0.000 1.007 394 T CB 2.472 71.321 68.868 -0.030 0.000 1.225 394 T HN 0.902 nan 8.240 nan 0.000 0.515 395 Y N -1.997 118.295 120.300 -0.015 0.000 2.670 395 Y HA 0.735 5.285 4.550 -0.000 0.000 0.334 395 Y C -0.893 174.999 175.900 -0.014 0.000 1.185 395 Y CA -1.330 56.763 58.100 -0.012 0.000 1.053 395 Y CB 0.645 39.104 38.460 -0.001 0.000 1.298 395 Y HN 0.650 nan 8.280 nan 0.000 0.459 396 T N 4.009 118.550 114.554 -0.023 0.000 2.747 396 T HA 0.377 4.727 4.350 -0.000 0.000 0.301 396 T C -2.750 171.915 174.700 -0.059 0.000 0.952 396 T CA -1.153 60.882 62.100 -0.109 0.000 0.983 396 T CB 0.393 69.248 68.868 -0.022 0.000 0.930 396 T HN 0.324 nan 8.240 nan 0.000 0.494 397 P HA 0.267 nan 4.420 nan 0.000 0.267 397 P C 1.117 178.443 177.300 0.045 0.000 1.205 397 P CA 0.704 63.802 63.100 -0.004 0.000 0.765 397 P CB 0.490 32.143 31.700 -0.079 0.000 0.828 398 G N 2.329 111.182 108.800 0.088 0.000 2.199 398 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.254 398 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.254 398 G C 0.466 175.378 174.900 0.020 0.000 0.982 398 G CA -0.054 45.072 45.100 0.044 0.000 0.632 398 G HN 0.842 nan 8.290 nan 0.000 0.529 399 A N 0.874 123.707 122.820 0.021 0.000 2.548 399 A HA 0.560 4.880 4.320 -0.000 0.000 0.247 399 A C 1.784 179.356 177.584 -0.019 0.000 1.067 399 A CA 1.348 53.385 52.037 -0.000 0.000 0.757 399 A CB 0.126 19.128 19.000 0.005 0.000 0.996 399 A HN 1.611 nan 8.150 nan 0.000 0.504 400 S N 2.016 117.702 115.700 -0.023 0.000 2.399 400 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 400 S C 1.429 175.998 174.600 -0.051 0.000 1.022 400 S CA 1.722 59.903 58.200 -0.032 0.000 0.983 400 S CB -0.745 62.440 63.200 -0.025 0.000 0.803 400 S HN 1.173 nan 8.310 nan 0.000 0.480 401 T N -0.978 113.543 114.554 -0.054 0.000 3.122 401 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 401 T C 0.270 174.907 174.700 -0.104 0.000 1.067 401 T CA -0.632 61.424 62.100 -0.073 0.000 0.966 401 T CB -0.511 68.323 68.868 -0.057 0.000 1.002 401 T HN 0.083 nan 8.240 nan 0.000 0.542 402 N N 2.443 121.082 118.700 -0.102 0.000 2.412 402 N HA 0.156 4.896 4.740 -0.000 0.000 0.254 402 N C 0.876 176.223 175.510 -0.272 0.000 1.232 402 N CA -0.101 52.859 53.050 -0.151 0.000 0.880 402 N CB 0.990 39.415 38.487 -0.104 0.000 1.076 402 N HN 0.074 nan 8.380 nan 0.000 0.458 403 K N 1.340 121.481 120.400 -0.432 0.000 2.365 403 K HA 0.048 4.368 4.320 -0.000 0.000 0.199 403 K C 0.016 176.042 176.600 -0.957 0.000 1.045 403 K CA 1.117 56.987 56.287 -0.695 0.000 0.962 403 K CB -0.041 31.910 32.500 -0.915 0.000 0.759 403 K HN 0.549 nan 8.250 nan 0.000 0.469 404 H N -1.238 117.510 119.070 -0.538 0.000 2.865 404 H HA 0.356 4.912 4.556 -0.000 0.000 0.372 404 H C -2.436 172.550 175.328 -0.570 0.000 1.173 404 H CA -2.521 53.032 56.048 -0.825 0.000 1.147 404 H CB 1.530 30.337 29.762 -1.592 0.000 1.805 404 H HN -0.174 nan 8.280 nan 0.000 0.553 405 P HA 0.079 nan 4.420 nan 0.000 0.276 405 P C 0.204 177.297 177.300 -0.345 0.000 1.261 405 P CA -0.345 62.548 63.100 -0.345 0.000 0.800 405 P CB 1.444 32.942 31.700 -0.337 0.000 1.066 406 D N 0.084 120.423 120.400 -0.101 0.000 2.149 406 D HA -0.148 4.491 4.640 -0.000 0.000 0.198 406 D C 1.928 178.249 176.300 0.035 0.000 0.990 406 D CA 1.330 55.352 54.000 0.037 0.000 0.839 406 D CB -0.579 40.350 40.800 0.215 0.000 0.948 406 D HN 0.610 nan 8.370 nan 0.000 0.460 407 W N 0.475 121.847 121.300 0.119 0.000 2.342 407 W HA -0.188 4.472 4.660 -0.000 0.000 0.297 407 W C 1.962 178.559 176.519 0.129 0.000 1.213 407 W CA 0.368 57.780 57.345 0.111 0.000 1.251 407 W CB -1.333 28.186 29.460 0.098 0.000 1.136 407 W HN 0.074 nan 8.180 nan 0.000 0.526 408 W N 3.575 124.413 121.300 -0.770 0.000 2.378 408 W HA -0.170 4.490 4.660 -0.000 0.000 0.313 408 W C 1.980 178.251 176.519 -0.412 0.000 1.197 408 W CA 1.822 58.749 57.345 -0.697 0.000 1.304 408 W CB -1.132 27.685 29.460 -1.071 0.000 1.148 408 W HN -0.100 nan 8.180 nan 0.000 0.494 409 N N 1.027 119.674 118.700 -0.089 0.000 2.205 409 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 409 N C 1.498 176.762 175.510 -0.410 0.000 1.015 409 N CA 2.036 54.835 53.050 -0.418 0.000 0.862 409 N CB -0.683 37.112 38.487 -1.153 0.000 0.986 409 N HN 0.292 nan 8.380 nan 0.000 0.429 410 E N 1.442 121.536 120.200 -0.175 0.000 2.072 410 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 410 E C 1.622 178.275 176.600 0.088 0.000 0.985 410 E CA 1.291 57.750 56.400 0.097 0.000 0.801 410 E CB 0.052 29.872 29.700 0.200 0.000 0.750 410 E HN 0.251 nan 8.360 nan 0.000 0.452 411 K N -0.458 119.985 120.400 0.072 0.000 2.057 411 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 411 K C 2.103 178.719 176.600 0.027 0.000 1.050 411 K CA 1.294 57.616 56.287 0.057 0.000 0.935 411 K CB -0.094 32.430 32.500 0.041 0.000 0.715 411 K HN 0.022 nan 8.250 nan 0.000 0.439 412 V N 1.936 121.837 119.914 -0.023 0.000 2.295 412 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 412 V C 2.372 178.512 176.094 0.078 0.000 1.049 412 V CA 1.775 64.077 62.300 0.004 0.000 1.024 412 V CB -0.427 31.396 31.823 0.000 0.000 0.648 412 V HN 0.351 nan 8.190 nan 0.000 0.447 413 K N 0.266 120.707 120.400 0.067 0.000 2.009 413 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 413 K C 2.060 178.717 176.600 0.095 0.000 1.049 413 K CA 2.131 58.478 56.287 0.100 0.000 0.929 413 K CB -0.257 32.344 32.500 0.168 0.000 0.714 413 K HN 0.445 nan 8.250 nan 0.000 0.440 414 N N 0.278 119.039 118.700 0.101 0.000 2.120 414 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 414 N C 1.791 177.351 175.510 0.085 0.000 1.024 414 N CA 1.541 54.641 53.050 0.084 0.000 0.852 414 N CB -0.762 37.781 38.487 0.094 0.000 1.003 414 N HN 0.419 nan 8.380 nan 0.000 0.424 415 H N 0.897 119.989 119.070 0.038 0.000 2.290 415 H HA 0.039 4.595 4.556 -0.000 0.000 0.298 415 H C 2.080 177.446 175.328 0.064 0.000 1.087 415 H CA 1.974 58.059 56.048 0.061 0.000 1.291 415 H CB -0.168 29.569 29.762 -0.041 0.000 1.369 415 H HN 0.118 nan 8.280 nan 0.000 0.492 416 M N -0.902 118.702 119.600 0.007 0.000 2.213 416 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 416 M C 1.896 178.232 176.300 0.060 0.000 1.062 416 M CA 1.187 56.498 55.300 0.019 0.000 1.105 416 M CB -0.008 32.675 32.600 0.139 0.000 1.385 416 M HN 0.346 nan 8.290 nan 0.000 0.417 417 M N -0.324 119.299 119.600 0.039 0.000 2.334 417 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 417 M C 1.988 178.265 176.300 -0.038 0.000 1.082 417 M CA 1.346 56.681 55.300 0.059 0.000 1.141 417 M CB -0.742 31.880 32.600 0.036 0.000 1.380 417 M HN 0.250 nan 8.290 nan 0.000 0.440 418 Q N -0.649 119.048 119.800 -0.171 0.000 2.354 418 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 418 Q C 0.124 175.792 176.000 -0.553 0.000 0.933 418 Q CA 0.826 56.415 55.803 -0.357 0.000 0.901 418 Q CB 0.227 28.657 28.738 -0.514 0.000 1.007 418 Q HN 0.568 nan 8.270 nan 0.000 0.495 419 H N 0.871 119.858 119.070 -0.137 0.000 2.317 419 H HA 0.268 4.824 4.556 -0.000 0.000 0.231 419 H C 0.385 175.629 175.328 -0.140 0.000 1.442 419 H CA -0.113 55.860 56.048 -0.126 0.000 1.336 419 H CB 0.435 30.090 29.762 -0.178 0.000 1.533 419 H HN 0.243 nan 8.280 nan 0.000 0.522 420 Q N 0.648 120.431 119.800 -0.029 0.000 2.488 420 Q HA -0.093 4.246 4.340 -0.000 0.000 0.211 420 Q C 1.661 177.614 176.000 -0.078 0.000 0.967 420 Q CA 0.610 56.358 55.803 -0.092 0.000 0.926 420 Q CB 0.452 29.093 28.738 -0.163 0.000 0.992 420 Q HN 0.500 nan 8.270 nan 0.000 0.506 421 E N 1.159 121.361 120.200 0.002 0.000 2.358 421 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 421 E C -0.256 176.378 176.600 0.056 0.000 1.010 421 E CA 0.523 56.937 56.400 0.023 0.000 0.856 421 E CB -0.057 29.674 29.700 0.052 0.000 0.795 421 E HN 0.173 nan 8.360 nan 0.000 0.504 422 D N 2.146 122.595 120.400 0.083 0.000 2.249 422 D HA 0.117 4.757 4.640 -0.000 0.000 0.246 422 D C -1.520 174.829 176.300 0.082 0.000 1.114 422 D CA -2.075 52.003 54.000 0.129 0.000 0.854 422 D CB 1.528 42.442 40.800 0.190 0.000 1.132 422 D HN -0.162 nan 8.370 nan 0.000 0.461 423 P HA 0.074 nan 4.420 nan 0.000 0.245 423 P C -0.251 177.089 177.300 0.066 0.000 1.212 423 P CA 0.264 63.401 63.100 0.061 0.000 0.774 423 P CB 0.365 32.096 31.700 0.051 0.000 0.999 424 L N 1.397 122.667 121.223 0.078 0.000 2.330 424 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 424 L C -1.509 175.392 176.870 0.053 0.000 1.013 424 L CA -2.308 52.555 54.840 0.039 0.000 0.816 424 L CB 2.567 44.622 42.059 -0.007 0.000 1.287 424 L HN -0.329 nan 8.230 nan 0.000 0.435 425 P HA 0.123 nan 4.420 nan 0.000 0.255 425 P C 0.153 177.345 177.300 -0.180 0.000 1.248 425 P CA 0.491 63.598 63.100 0.012 0.000 0.807 425 P CB 0.494 32.205 31.700 0.018 0.000 1.150 426 I N 2.288 122.664 120.570 -0.323 0.000 2.342 426 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 426 I C -2.181 173.460 176.117 -0.793 0.000 1.010 426 I CA -2.857 58.184 61.300 -0.431 0.000 1.308 426 I CB 1.076 38.905 38.000 -0.284 0.000 1.400 426 I HN -0.242 nan 8.210 nan 0.000 0.488 427 P HA 0.057 nan 4.420 nan 0.000 0.269 427 P C 0.236 177.273 177.300 -0.439 0.000 1.215 427 P CA -0.043 62.625 63.100 -0.720 0.000 0.780 427 P CB 0.425 31.974 31.700 -0.251 0.000 0.898 428 F N 0.247 120.078 119.950 -0.199 0.000 2.234 428 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 428 F C 1.749 177.511 175.800 -0.064 0.000 1.087 428 F CA 1.530 59.464 58.000 -0.109 0.000 1.340 428 F CB -0.650 38.305 39.000 -0.075 0.000 1.031 428 F HN 0.362 nan 8.300 nan 0.000 0.500 429 E N -0.062 120.221 120.200 0.139 0.000 2.437 429 E HA 0.004 4.353 4.350 -0.000 0.000 0.195 429 E C -0.353 176.264 176.600 0.029 0.000 1.029 429 E CA -0.232 56.217 56.400 0.083 0.000 0.948 429 E CB -0.220 29.530 29.700 0.084 0.000 1.082 429 E HN 0.183 nan 8.360 nan 0.000 0.456 430 D N 2.590 122.987 120.400 -0.006 0.000 2.487 430 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 430 D C -2.289 174.022 176.300 0.018 0.000 1.154 430 D CA -1.257 52.727 54.000 -0.028 0.000 0.876 430 D CB 0.787 41.535 40.800 -0.086 0.000 1.161 430 D HN -0.106 nan 8.370 nan 0.000 0.478 431 P HA 0.077 nan 4.420 nan 0.000 0.271 431 P C -0.486 176.926 177.300 0.187 0.000 1.233 431 P CA -0.372 62.804 63.100 0.127 0.000 0.789 431 P CB 0.365 32.127 31.700 0.103 0.000 0.951 432 E N 1.765 122.105 120.200 0.232 0.000 2.392 432 E HA 0.189 4.539 4.350 -0.000 0.000 0.259 432 E C -2.470 174.195 176.600 0.108 0.000 1.108 432 E CA -2.085 54.386 56.400 0.117 0.000 0.916 432 E CB -0.890 28.837 29.700 0.046 0.000 0.989 432 E HN 0.224 nan 8.360 nan 0.000 0.432 433 P HA 0.035 nan 4.420 nan 0.000 0.269 433 P C -0.518 176.829 177.300 0.077 0.000 1.209 433 P CA 0.125 63.319 63.100 0.157 0.000 0.776 433 P CB 0.373 32.109 31.700 0.060 0.000 0.876 434 Q N 1.251 121.202 119.800 0.251 0.000 3.394 434 Q HA 0.304 4.643 4.340 -0.000 0.000 0.285 434 Q C -1.029 175.088 176.000 0.195 0.000 0.866 434 Q CA -0.349 55.477 55.803 0.038 0.000 0.844 434 Q CB 1.160 29.668 28.738 -0.384 0.000 1.472 434 Q HN 0.191 nan 8.270 nan 0.000 0.401 435 V N 0.727 120.705 119.914 0.107 0.000 2.547 435 V HA 0.700 4.820 4.120 -0.000 0.000 0.299 435 V C 0.145 176.265 176.094 0.043 0.000 1.040 435 V CA -0.329 62.021 62.300 0.084 0.000 0.913 435 V CB 2.026 33.830 31.823 -0.033 0.000 0.992 435 V HN 0.447 nan 8.190 nan 0.000 0.449 436 T N 2.030 116.637 114.554 0.088 0.000 2.916 436 T HA 0.468 4.818 4.350 -0.000 0.000 0.305 436 T C -0.858 173.816 174.700 -0.044 0.000 1.119 436 T CA -0.327 61.773 62.100 -0.000 0.000 1.008 436 T CB 1.829 70.676 68.868 -0.035 0.000 1.129 436 T HN 0.785 nan 8.240 nan 0.000 0.480 437 T N 4.771 119.169 114.554 -0.260 0.000 2.772 437 T HA 0.605 4.955 4.350 -0.000 0.000 0.288 437 T C -0.028 174.541 174.700 -0.218 0.000 0.994 437 T CA -0.597 61.199 62.100 -0.506 0.000 0.951 437 T CB -0.255 67.913 68.868 -1.167 0.000 0.933 437 T HN 0.504 nan 8.240 nan 0.000 0.447 438 L N 4.291 125.456 121.223 -0.097 0.000 2.464 438 L HA 0.421 4.761 4.340 -0.000 0.000 0.264 438 L C 0.772 177.632 176.870 -0.017 0.000 1.199 438 L CA -0.983 53.876 54.840 0.032 0.000 0.818 438 L CB 0.184 42.265 42.059 0.037 0.000 1.102 438 L HN 0.602 nan 8.230 nan 0.000 0.473 439 F N 2.375 122.236 119.950 -0.148 0.000 2.604 439 F HA -0.050 4.477 4.527 -0.000 0.000 0.390 439 F C 0.197 175.718 175.800 -0.465 0.000 1.053 439 F CA 0.578 58.400 58.000 -0.297 0.000 1.256 439 F CB 0.128 39.010 39.000 -0.196 0.000 0.996 439 F HN 0.381 nan 8.300 nan 0.000 0.564 440 Q N 6.458 125.686 119.800 -0.954 0.000 2.456 440 Q HA 0.251 4.591 4.340 -0.000 0.000 0.284 440 Q C -2.043 173.456 176.000 -0.834 0.000 1.061 440 Q CA -1.754 53.612 55.803 -0.728 0.000 0.799 440 Q CB 1.462 29.686 28.738 -0.856 0.000 1.445 440 Q HN 0.247 nan 8.270 nan 0.000 0.411 441 P HA -0.216 nan 4.420 nan 0.000 0.217 441 P C 1.268 178.345 177.300 -0.371 0.000 1.151 441 P CA 2.206 65.119 63.100 -0.312 0.000 0.849 441 P CB 0.252 31.866 31.700 -0.143 0.000 0.787 442 S N -1.420 114.066 115.700 -0.356 0.000 2.496 442 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 442 S C 0.627 175.030 174.600 -0.327 0.000 0.996 442 S CA 0.150 58.210 58.200 -0.233 0.000 0.927 442 S CB -1.219 61.942 63.200 -0.064 0.000 0.774 442 S HN 0.413 nan 8.310 nan 0.000 0.524 443 H N -0.702 117.923 119.070 -0.741 0.000 2.607 443 H HA 0.516 5.072 4.556 -0.000 0.000 0.248 443 H C -3.092 171.133 175.328 -1.838 0.000 1.355 443 H CA -2.078 53.144 56.048 -1.378 0.000 1.524 443 H CB 0.696 29.890 29.762 -0.945 0.000 1.563 443 H HN 0.090 nan 8.280 nan 0.000 0.509 444 P HA 0.049 nan 4.420 nan 0.000 0.225 444 P C -1.258 175.562 177.300 -0.799 0.000 1.768 444 P CA 0.196 62.317 63.100 -1.633 0.000 0.943 444 P CB -1.089 30.145 31.700 -0.775 0.000 1.936 445 W N -0.829 120.258 121.300 -0.355 0.000 3.167 445 W HA 0.539 5.199 4.660 -0.000 0.000 0.324 445 W C -0.847 175.774 176.519 0.170 0.000 1.230 445 W CA -1.343 56.054 57.345 0.087 0.000 1.184 445 W CB 0.082 29.608 29.460 0.111 0.000 1.414 445 W HN -0.041 nan 8.180 nan 0.000 0.551 446 H N 1.030 120.352 119.070 0.421 0.000 2.511 446 H HA 0.672 5.228 4.556 -0.000 0.000 0.346 446 H C -0.148 175.327 175.328 0.245 0.000 1.128 446 H CA 0.385 56.577 56.048 0.240 0.000 1.342 446 H CB 1.461 31.291 29.762 0.114 0.000 1.470 446 H HN 0.571 nan 8.280 nan 0.000 0.546 447 T N 2.246 116.457 114.554 -0.571 0.000 2.876 447 T HA 0.498 4.848 4.350 -0.000 0.000 0.289 447 T C -0.708 173.708 174.700 -0.473 0.000 1.014 447 T CA -1.109 60.667 62.100 -0.539 0.000 0.986 447 T CB 1.629 70.070 68.868 -0.713 0.000 1.021 447 T HN 0.683 nan 8.240 nan 0.000 0.458 448 Q N 1.830 121.559 119.800 -0.119 0.000 2.304 448 Q HA 0.576 4.915 4.340 -0.000 0.000 0.270 448 Q C -1.165 174.793 176.000 -0.071 0.000 1.035 448 Q CA -0.694 54.983 55.803 -0.210 0.000 0.781 448 Q CB 2.649 31.149 28.738 -0.397 0.000 1.261 448 Q HN 0.723 nan 8.270 nan 0.000 0.444 449 I N 3.527 124.009 120.570 -0.147 0.000 2.537 449 I HA 0.359 4.529 4.170 -0.000 0.000 0.276 449 I C -0.442 175.608 176.117 -0.112 0.000 1.063 449 I CA -0.276 60.825 61.300 -0.332 0.000 1.144 449 I CB 0.339 38.006 38.000 -0.555 0.000 1.252 449 I HN 0.747 nan 8.210 nan 0.000 0.480 450 H N 3.395 122.330 119.070 -0.224 0.000 3.001 450 H HA 0.671 5.227 4.556 -0.000 0.000 0.266 450 H C -1.255 174.048 175.328 -0.042 0.000 1.532 450 H CA -1.352 54.635 56.048 -0.101 0.000 1.187 450 H CB 1.441 31.173 29.762 -0.050 0.000 1.881 450 H HN 0.099 nan 8.280 nan 0.000 0.643 451 R N 1.241 121.584 120.500 -0.261 0.000 2.533 451 R HA 0.433 4.773 4.340 -0.000 0.000 0.288 451 R C -1.639 174.460 176.300 -0.335 0.000 1.039 451 R CA -0.572 55.353 56.100 -0.291 0.000 0.909 451 R CB 1.798 32.036 30.300 -0.102 0.000 1.195 451 R HN 0.858 nan 8.270 nan 0.000 0.438 452 D N 0.257 120.466 120.400 -0.318 0.000 2.738 452 D HA 0.470 5.110 4.640 -0.000 0.000 0.308 452 D C -1.457 174.699 176.300 -0.240 0.000 1.311 452 D CA -0.376 53.455 54.000 -0.282 0.000 0.799 452 D CB 2.306 42.916 40.800 -0.316 0.000 1.332 452 D HN 0.481 nan 8.370 nan 0.000 0.441 453 A N 0.953 123.530 122.820 -0.406 0.000 2.292 453 A HA 0.718 5.038 4.320 -0.000 0.000 0.319 453 A C -1.148 176.083 177.584 -0.587 0.000 1.206 453 A CA -0.203 51.657 52.037 -0.294 0.000 0.835 453 A CB 0.081 19.034 19.000 -0.077 0.000 1.164 453 A HN 0.310 nan 8.150 nan 0.000 0.505 454 F N 0.305 120.081 119.950 -0.290 0.000 2.664 454 F HA 0.384 4.911 4.527 -0.000 0.000 0.329 454 F C 1.733 177.312 175.800 -0.368 0.000 1.090 454 F CA 0.149 57.924 58.000 -0.375 0.000 0.978 454 F CB 1.846 40.400 39.000 -0.744 0.000 1.378 454 F HN 0.591 nan 8.300 nan 0.000 0.495 455 S N -0.249 115.417 115.700 -0.057 0.000 2.469 455 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 455 S C 0.881 175.488 174.600 0.011 0.000 0.998 455 S CA 1.479 59.668 58.200 -0.020 0.000 0.957 455 S CB -0.932 62.320 63.200 0.087 0.000 0.764 455 S HN 0.696 nan 8.310 nan 0.000 0.514 456 Y N 0.014 120.308 120.300 -0.011 0.000 2.531 456 Y HA 0.662 5.211 4.550 -0.000 0.000 0.249 456 Y C 0.965 176.840 175.900 -0.042 0.000 1.168 456 Y CA -1.431 56.638 58.100 -0.051 0.000 1.226 456 Y CB -0.783 37.607 38.460 -0.117 0.000 1.177 456 Y HN 0.142 nan 8.280 nan 0.000 0.527 457 G N 1.553 110.236 108.800 -0.195 0.000 2.321 457 G HA2 0.338 4.298 3.960 -0.000 0.000 0.237 457 G HA3 0.338 4.298 3.960 -0.000 0.000 0.237 457 G C -0.275 174.651 174.900 0.044 0.000 1.282 457 G CA 0.209 45.272 45.100 -0.062 0.000 0.886 457 G HN 0.686 nan 8.290 nan 0.000 0.528 458 A N 1.686 124.566 122.820 0.100 0.000 2.320 458 A HA 0.643 4.963 4.320 -0.000 0.000 0.334 458 A C 0.117 177.743 177.584 0.070 0.000 1.147 458 A CA -0.606 51.485 52.037 0.089 0.000 0.820 458 A CB 1.498 20.566 19.000 0.113 0.000 1.218 458 A HN 1.099 nan 8.150 nan 0.000 0.482 459 V N 2.085 122.031 119.914 0.054 0.000 2.434 459 V HA 0.264 4.384 4.120 -0.000 0.000 0.281 459 V C 0.203 176.325 176.094 0.048 0.000 1.005 459 V CA 0.430 62.757 62.300 0.046 0.000 1.089 459 V CB -0.191 31.654 31.823 0.037 0.000 0.978 459 V HN 0.914 nan 8.190 nan 0.000 0.474 460 Q N 4.912 124.741 119.800 0.048 0.000 2.321 460 Q HA 0.458 4.798 4.340 -0.000 0.000 0.270 460 Q C -0.326 175.698 176.000 0.040 0.000 1.032 460 Q CA -0.310 55.521 55.803 0.046 0.000 0.784 460 Q CB 2.142 30.913 28.738 0.054 0.000 1.264 460 Q HN 0.505 nan 8.270 nan 0.000 0.448 461 Q N 1.555 121.375 119.800 0.034 0.000 2.210 461 Q HA 0.131 4.471 4.340 -0.000 0.000 0.252 461 Q C 0.942 176.959 176.000 0.029 0.000 0.811 461 Q CA 1.084 56.905 55.803 0.030 0.000 0.953 461 Q CB 0.991 29.744 28.738 0.025 0.000 1.136 461 Q HN 0.794 nan 8.270 nan 0.000 0.491 462 S N -0.793 114.925 115.700 0.029 0.000 2.458 462 S HA 0.121 4.591 4.470 -0.000 0.000 0.223 462 S C 0.964 175.583 174.600 0.030 0.000 1.019 462 S CA -0.019 58.197 58.200 0.027 0.000 0.937 462 S CB 0.324 63.538 63.200 0.024 0.000 0.788 462 S HN 0.040 nan 8.310 nan 0.000 0.511 463 I N 3.161 123.751 120.570 0.034 0.000 2.385 463 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 463 I C 0.131 176.273 176.117 0.043 0.000 0.988 463 I CA -1.183 60.139 61.300 0.037 0.000 1.265 463 I CB 1.155 39.178 38.000 0.037 0.000 1.388 463 I HN 0.268 nan 8.210 nan 0.000 0.480 464 D N 3.867 124.295 120.400 0.046 0.000 2.487 464 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 464 D C 1.217 177.548 176.300 0.053 0.000 1.154 464 D CA 0.228 54.261 54.000 0.056 0.000 0.876 464 D CB 1.154 41.992 40.800 0.064 0.000 1.161 464 D HN 0.651 nan 8.370 nan 0.000 0.478 465 S N 4.231 119.965 115.700 0.056 0.000 2.442 465 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 465 S C 1.667 176.293 174.600 0.045 0.000 1.007 465 S CA 0.527 58.758 58.200 0.051 0.000 0.965 465 S CB -0.023 63.207 63.200 0.051 0.000 0.773 465 S HN 0.542 nan 8.310 nan 0.000 0.504 466 R N 0.541 121.067 120.500 0.042 0.000 2.241 466 R HA 0.173 4.513 4.340 -0.000 0.000 0.224 466 R C 1.750 178.058 176.300 0.013 0.000 1.101 466 R CA 1.099 57.208 56.100 0.016 0.000 0.995 466 R CB -0.460 29.834 30.300 -0.011 0.000 0.870 466 R HN 0.461 nan 8.270 nan 0.000 0.463 467 L N 0.179 121.419 121.223 0.029 0.000 2.446 467 L HA 0.147 4.487 4.340 -0.000 0.000 0.219 467 L C 0.584 177.485 176.870 0.053 0.000 1.116 467 L CA 0.144 55.005 54.840 0.034 0.000 0.844 467 L CB 0.229 42.310 42.059 0.036 0.000 0.970 467 L HN 0.057 nan 8.230 nan 0.000 0.457 468 I N 0.257 120.861 120.570 0.056 0.000 2.353 468 I HA 0.249 4.419 4.170 -0.000 0.000 0.293 468 I C -0.663 175.498 176.117 0.073 0.000 0.992 468 I CA -0.426 60.919 61.300 0.075 0.000 1.268 468 I CB 1.848 39.890 38.000 0.069 0.000 1.387 468 I HN -0.299 nan 8.210 nan 0.000 0.478 469 V N 5.045 125.026 119.914 0.113 0.000 2.588 469 V HA 0.318 4.438 4.120 -0.000 0.000 0.304 469 V C -0.672 175.476 176.094 0.089 0.000 1.042 469 V CA -0.867 61.465 62.300 0.052 0.000 0.877 469 V CB 2.069 33.907 31.823 0.026 0.000 0.996 469 V HN 0.580 nan 8.190 nan 0.000 0.425 470 D N 2.683 123.089 120.400 0.010 0.000 2.255 470 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 470 D C -0.953 175.352 176.300 0.008 0.000 1.078 470 D CA 0.139 54.226 54.000 0.146 0.000 0.896 470 D CB 1.215 42.131 40.800 0.192 0.000 1.194 470 D HN 0.451 nan 8.370 nan 0.000 0.429 471 W N 1.257 122.678 121.300 0.201 0.000 2.619 471 W HA 0.434 5.094 4.660 -0.000 0.000 0.327 471 W C 0.152 176.822 176.519 0.251 0.000 1.027 471 W CA -0.850 56.624 57.345 0.215 0.000 1.233 471 W CB 1.267 30.735 29.460 0.012 0.000 1.370 471 W HN -0.075 nan 8.180 nan 0.000 0.453 472 R N 2.965 123.759 120.500 0.491 0.000 2.483 472 R HA 0.534 4.874 4.340 -0.000 0.000 0.303 472 R C -1.569 174.948 176.300 0.362 0.000 0.987 472 R CA -0.848 55.389 56.100 0.228 0.000 0.881 472 R CB 1.625 31.944 30.300 0.032 0.000 1.177 472 R HN 0.168 nan 8.270 nan 0.000 0.451 473 F N 3.105 122.929 119.950 -0.210 0.000 2.482 473 F HA 0.505 5.032 4.527 -0.000 0.000 0.331 473 F C -0.422 175.279 175.800 -0.164 0.000 1.115 473 F CA -1.552 56.422 58.000 -0.043 0.000 0.955 473 F CB 1.149 40.093 39.000 -0.093 0.000 1.136 473 F HN 0.297 nan 8.300 nan 0.000 0.452 474 F N 1.339 121.474 119.950 0.309 0.000 2.460 474 F HA 0.648 5.175 4.527 -0.000 0.000 0.341 474 F C 0.649 176.645 175.800 0.327 0.000 1.130 474 F CA -1.241 56.930 58.000 0.285 0.000 0.962 474 F CB 1.409 40.625 39.000 0.360 0.000 1.171 474 F HN 0.528 nan 8.300 nan 0.000 0.436 475 G N 2.215 111.254 108.800 0.399 0.000 2.504 475 G HA2 0.595 4.555 3.960 -0.000 0.000 0.288 475 G HA3 0.595 4.555 3.960 -0.000 0.000 0.288 475 G C -0.690 174.389 174.900 0.298 0.000 1.182 475 G CA -1.013 44.299 45.100 0.353 0.000 0.894 475 G HN 0.711 nan 8.290 nan 0.000 0.521 476 R N -0.667 120.001 120.500 0.280 0.000 2.428 476 R HA 0.653 4.993 4.340 -0.000 0.000 0.294 476 R C -1.018 175.374 176.300 0.154 0.000 1.000 476 R CA -0.596 55.596 56.100 0.153 0.000 0.960 476 R CB 1.282 31.693 30.300 0.184 0.000 1.076 476 R HN 0.268 nan 8.270 nan 0.000 0.475 477 T N 2.467 117.082 114.554 0.102 0.000 2.786 477 T HA 0.165 4.515 4.350 -0.000 0.000 0.283 477 T C -0.755 174.026 174.700 0.135 0.000 0.992 477 T CA -0.784 61.426 62.100 0.184 0.000 0.954 477 T CB 1.254 70.306 68.868 0.307 0.000 0.934 477 T HN 0.584 nan 8.240 nan 0.000 0.440 478 E N 4.313 124.595 120.200 0.136 0.000 2.452 478 E HA 0.111 4.461 4.350 -0.000 0.000 0.261 478 E C -2.181 174.500 176.600 0.136 0.000 0.987 478 E CA -1.339 55.133 56.400 0.121 0.000 0.926 478 E CB 0.160 29.922 29.700 0.102 0.000 0.934 478 E HN 0.302 nan 8.360 nan 0.000 0.452 479 P HA 0.108 nan 4.420 nan 0.000 0.276 479 P C -0.901 176.554 177.300 0.258 0.000 1.243 479 P CA -0.084 63.155 63.100 0.233 0.000 0.768 479 P CB 0.722 32.581 31.700 0.266 0.000 0.856 480 K N 2.561 123.058 120.400 0.162 0.000 2.378 480 K HA 0.163 4.483 4.320 -0.000 0.000 0.252 480 K C 0.969 177.395 176.600 -0.290 0.000 0.931 480 K CA -0.721 55.573 56.287 0.012 0.000 0.794 480 K CB 2.169 34.637 32.500 -0.053 0.000 1.181 480 K HN 0.407 nan 8.250 nan 0.000 0.425 481 E N 2.637 122.488 120.200 -0.580 0.000 2.110 481 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 481 E C 0.848 177.182 176.600 -0.444 0.000 0.988 481 E CA 1.455 57.239 56.400 -1.027 0.000 0.804 481 E CB 0.546 29.872 29.700 -0.624 0.000 0.745 481 E HN 0.632 nan 8.360 nan 0.000 0.458 482 E N 0.336 120.387 120.200 -0.249 0.000 2.268 482 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 482 E C 0.076 176.616 176.600 -0.100 0.000 0.995 482 E CA 0.254 56.568 56.400 -0.144 0.000 0.836 482 E CB -0.461 29.171 29.700 -0.112 0.000 0.763 482 E HN 0.026 nan 8.360 nan 0.000 0.491 483 N N 2.159 120.791 118.700 -0.113 0.000 2.411 483 N HA 0.151 4.891 4.740 -0.000 0.000 0.259 483 N C -0.699 174.875 175.510 0.107 0.000 1.103 483 N CA 0.213 53.257 53.050 -0.009 0.000 0.954 483 N CB 1.008 39.467 38.487 -0.048 0.000 1.085 483 N HN 0.137 nan 8.380 nan 0.000 0.485 484 K N 1.201 121.717 120.400 0.192 0.000 2.375 484 K HA 0.455 4.775 4.320 -0.000 0.000 0.249 484 K C -0.983 175.775 176.600 0.263 0.000 0.942 484 K CA -0.956 55.468 56.287 0.228 0.000 0.806 484 K CB 2.380 35.026 32.500 0.243 0.000 1.227 484 K HN 0.171 nan 8.250 nan 0.000 0.430 485 L N 4.089 125.416 121.223 0.174 0.000 2.287 485 L HA 0.552 4.892 4.340 -0.000 0.000 0.287 485 L C -1.273 175.544 176.870 -0.088 0.000 1.022 485 L CA -0.033 54.740 54.840 -0.112 0.000 0.814 485 L CB 0.437 42.438 42.059 -0.098 0.000 1.217 485 L HN 0.707 nan 8.230 nan 0.000 0.420 486 W N 3.781 124.798 121.300 -0.472 0.000 3.032 486 W HA 0.619 5.278 4.660 -0.000 0.000 0.341 486 W C -2.236 173.850 176.519 -0.720 0.000 1.202 486 W CA -1.229 55.913 57.345 -0.338 0.000 1.132 486 W CB 0.886 30.288 29.460 -0.097 0.000 1.465 486 W HN 0.337 nan 8.180 nan 0.000 0.576 487 F N 1.541 121.648 119.950 0.261 0.000 2.529 487 F HA 0.356 4.883 4.527 -0.000 0.000 0.320 487 F C 0.831 176.778 175.800 0.244 0.000 1.118 487 F CA -0.966 57.082 58.000 0.080 0.000 0.915 487 F CB 2.135 41.170 39.000 0.058 0.000 1.161 487 F HN 0.277 nan 8.300 nan 0.000 0.445 488 S N 0.971 116.809 115.700 0.229 0.000 2.568 488 S HA 0.041 4.511 4.470 -0.000 0.000 0.282 488 S C 0.648 175.387 174.600 0.231 0.000 1.338 488 S CA -0.452 57.910 58.200 0.270 0.000 1.045 488 S CB 0.350 63.630 63.200 0.132 0.000 0.873 488 S HN 0.698 nan 8.310 nan 0.000 0.516 489 D N 2.265 122.786 120.400 0.202 0.000 2.340 489 D HA 0.226 4.866 4.640 -0.000 0.000 0.217 489 D C 0.817 177.177 176.300 0.100 0.000 1.081 489 D CA 0.098 54.178 54.000 0.133 0.000 0.842 489 D CB 0.252 41.116 40.800 0.106 0.000 0.934 489 D HN 0.226 nan 8.370 nan 0.000 0.511 490 K N -0.363 120.099 120.400 0.104 0.000 2.494 490 K HA 0.323 4.643 4.320 -0.000 0.000 0.201 490 K C 0.225 176.867 176.600 0.070 0.000 1.338 490 K CA 0.029 56.362 56.287 0.078 0.000 0.935 490 K CB 0.719 33.266 32.500 0.079 0.000 1.514 490 K HN 0.020 nan 8.250 nan 0.000 0.490 491 I N 2.812 123.427 120.570 0.075 0.000 2.428 491 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 491 I C 0.375 176.530 176.117 0.063 0.000 1.019 491 I CA -0.060 61.275 61.300 0.059 0.000 1.351 491 I CB 0.875 38.900 38.000 0.042 0.000 1.412 491 I HN 0.207 nan 8.210 nan 0.000 0.513 492 T N 1.399 115.987 114.554 0.056 0.000 2.924 492 T HA 0.578 4.928 4.350 -0.000 0.000 0.291 492 T C -0.340 174.398 174.700 0.063 0.000 1.045 492 T CA -0.922 61.218 62.100 0.067 0.000 1.015 492 T CB 2.465 71.367 68.868 0.058 0.000 1.103 492 T HN 0.551 nan 8.240 nan 0.000 0.496 493 D N 0.867 121.321 120.400 0.090 0.000 2.507 493 D HA 0.477 5.116 4.640 -0.000 0.000 0.280 493 D C 1.476 177.816 176.300 0.067 0.000 1.219 493 D CA -0.490 53.567 54.000 0.095 0.000 1.085 493 D CB 0.004 40.898 40.800 0.158 0.000 1.134 493 D HN 0.647 nan 8.370 nan 0.000 0.583 494 A N -1.606 121.247 122.820 0.055 0.000 2.167 494 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 494 A C 1.056 178.474 177.584 -0.277 0.000 1.151 494 A CA 0.496 52.469 52.037 -0.106 0.000 0.735 494 A CB -0.863 18.041 19.000 -0.159 0.000 0.802 494 A HN 0.510 nan 8.150 nan 0.000 0.467 495 Y N -0.191 120.136 120.300 0.044 0.000 2.583 495 Y HA 0.178 4.728 4.550 -0.000 0.000 0.294 495 Y C 0.531 176.462 175.900 0.053 0.000 1.170 495 Y CA -0.166 57.964 58.100 0.049 0.000 1.265 495 Y CB -0.755 37.722 38.460 0.027 0.000 1.119 495 Y HN 0.513 nan 8.280 nan 0.000 0.522 496 N N -0.933 117.828 118.700 0.102 0.000 2.714 496 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 496 N C -0.462 175.099 175.510 0.086 0.000 1.117 496 N CA 0.445 53.539 53.050 0.073 0.000 0.719 496 N CB -0.654 37.857 38.487 0.041 0.000 1.081 496 N HN 0.190 nan 8.380 nan 0.000 0.557 497 M N -0.315 119.356 119.600 0.118 0.000 2.613 497 M HA 0.406 4.886 4.480 -0.000 0.000 0.301 497 M C -2.158 174.209 176.300 0.111 0.000 1.205 497 M CA -2.019 53.339 55.300 0.097 0.000 0.950 497 M CB 0.148 32.809 32.600 0.102 0.000 1.585 497 M HN -0.307 nan 8.290 nan 0.000 0.490 498 P HA 0.010 nan 4.420 nan 0.000 0.263 498 P C -0.637 176.820 177.300 0.261 0.000 1.195 498 P CA 0.079 63.279 63.100 0.167 0.000 0.762 498 P CB 0.163 31.960 31.700 0.162 0.000 0.799 499 Q N 7.231 127.128 119.800 0.161 0.000 2.271 499 Q HA 0.121 4.461 4.340 -0.000 0.000 0.273 499 Q C -2.194 173.769 176.000 -0.061 0.000 1.051 499 Q CA -1.730 54.117 55.803 0.074 0.000 0.901 499 Q CB -0.241 28.495 28.738 -0.003 0.000 1.174 499 Q HN 0.312 nan 8.270 nan 0.000 0.385 500 P HA 0.091 nan 4.420 nan 0.000 0.271 500 P C -1.074 175.743 177.300 -0.805 0.000 1.216 500 P CA -0.102 62.589 63.100 -0.681 0.000 0.776 500 P CB 0.988 32.369 31.700 -0.531 0.000 0.881 501 T N 2.936 116.769 114.554 -1.203 0.000 2.971 501 T HA 0.495 4.845 4.350 -0.000 0.000 0.304 501 T C -0.675 173.304 174.700 -1.202 0.000 1.038 501 T CA -0.126 61.257 62.100 -1.195 0.000 1.007 501 T CB 0.514 68.363 68.868 -1.699 0.000 1.055 501 T HN 0.056 nan 8.240 nan 0.000 0.451 502 F N 2.006 121.676 119.950 -0.467 0.000 2.422 502 F HA 0.561 5.088 4.527 -0.000 0.000 0.333 502 F C 0.520 176.286 175.800 -0.057 0.000 1.095 502 F CA -1.051 56.816 58.000 -0.222 0.000 1.038 502 F CB 1.285 40.197 39.000 -0.146 0.000 1.156 502 F HN 0.413 nan 8.300 nan 0.000 0.483 503 D N 3.450 124.030 120.400 0.299 0.000 2.421 503 D HA 0.247 4.887 4.640 -0.000 0.000 0.254 503 D C -1.844 174.591 176.300 0.224 0.000 1.238 503 D CA -0.107 54.046 54.000 0.255 0.000 0.919 503 D CB 0.551 41.528 40.800 0.295 0.000 1.152 503 D HN 0.317 nan 8.370 nan 0.000 0.552 504 F N 3.668 123.615 119.950 -0.006 0.000 2.588 504 F HA 0.539 5.066 4.527 -0.000 0.000 0.318 504 F C -1.211 174.485 175.800 -0.174 0.000 1.155 504 F CA -0.591 57.338 58.000 -0.119 0.000 0.967 504 F CB 1.305 40.173 39.000 -0.219 0.000 1.236 504 F HN 0.062 nan 8.300 nan 0.000 0.455 505 R N 4.375 124.396 120.500 -0.798 0.000 2.725 505 R HA 0.382 4.721 4.340 -0.000 0.000 0.277 505 R C -1.517 174.147 176.300 -1.059 0.000 0.987 505 R CA -1.007 54.694 56.100 -0.665 0.000 0.901 505 R CB 1.723 31.850 30.300 -0.288 0.000 1.207 505 R HN 0.565 nan 8.270 nan 0.000 0.463 506 F N 2.627 122.348 119.950 -0.382 0.000 2.578 506 F HA 0.141 4.668 4.527 -0.000 0.000 0.376 506 F C -1.311 174.357 175.800 -0.220 0.000 1.085 506 F CA -0.930 56.927 58.000 -0.238 0.000 1.260 506 F CB -0.204 38.771 39.000 -0.042 0.000 1.095 506 F HN 0.133 nan 8.300 nan 0.000 0.573 507 P HA 0.149 nan 4.420 nan 0.000 0.268 507 P C -0.587 176.721 177.300 0.013 0.000 1.205 507 P CA -0.165 62.912 63.100 -0.039 0.000 0.771 507 P CB 0.603 32.295 31.700 -0.014 0.000 0.858 508 A N 2.762 125.576 122.820 -0.009 0.000 2.366 508 A HA 0.576 4.896 4.320 -0.000 0.000 0.250 508 A C 1.070 178.662 177.584 0.014 0.000 1.099 508 A CA 0.809 52.845 52.037 -0.001 0.000 0.794 508 A CB -0.947 18.046 19.000 -0.012 0.000 1.056 508 A HN 0.819 nan 8.150 nan 0.000 0.499 509 G N -0.242 108.568 108.800 0.017 0.000 2.481 509 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.230 509 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.230 509 G C 0.954 175.879 174.900 0.042 0.000 1.210 509 G CA 0.697 45.813 45.100 0.028 0.000 0.936 509 G HN 0.989 nan 8.290 nan 0.000 0.583 510 R N -0.304 120.229 120.500 0.055 0.000 2.096 510 R HA -0.097 4.243 4.340 -0.000 0.000 0.240 510 R C 2.831 179.184 176.300 0.088 0.000 1.139 510 R CA 2.829 58.972 56.100 0.072 0.000 0.952 510 R CB -0.938 29.409 30.300 0.079 0.000 0.854 510 R HN 0.627 nan 8.270 nan 0.000 0.436 511 T N -0.026 114.583 114.554 0.092 0.000 2.720 511 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 511 T C 1.913 176.657 174.700 0.073 0.000 1.037 511 T CA 1.807 63.974 62.100 0.113 0.000 1.144 511 T CB -0.141 68.814 68.868 0.146 0.000 0.864 511 T HN 0.270 nan 8.240 nan 0.000 0.444 512 S N 0.303 116.029 115.700 0.042 0.000 2.377 512 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 512 S C 2.006 176.603 174.600 -0.006 0.000 1.030 512 S CA 0.639 58.831 58.200 -0.014 0.000 0.970 512 S CB -0.113 63.076 63.200 -0.019 0.000 0.830 512 S HN 0.450 nan 8.310 nan 0.000 0.473 513 K N 1.408 121.825 120.400 0.028 0.000 2.026 513 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 513 K C 1.886 178.531 176.600 0.076 0.000 1.048 513 K CA 1.422 57.735 56.287 0.043 0.000 0.929 513 K CB -0.134 32.398 32.500 0.053 0.000 0.713 513 K HN 0.356 nan 8.250 nan 0.000 0.439 514 E N -0.146 120.126 120.200 0.121 0.000 2.110 514 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 514 E C 1.926 178.587 176.600 0.101 0.000 0.988 514 E CA 1.040 57.567 56.400 0.211 0.000 0.804 514 E CB -0.095 29.775 29.700 0.283 0.000 0.745 514 E HN 0.430 nan 8.360 nan 0.000 0.458 515 A N 1.248 124.103 122.820 0.058 0.000 1.898 515 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 515 A C 2.066 179.707 177.584 0.094 0.000 1.181 515 A CA 1.672 53.739 52.037 0.051 0.000 0.620 515 A CB -0.317 18.663 19.000 -0.034 0.000 0.819 515 A HN 0.123 nan 8.150 nan 0.000 0.442 516 E N 0.598 120.828 120.200 0.050 0.000 2.107 516 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 516 E C 1.277 177.846 176.600 -0.053 0.000 0.982 516 E CA 1.441 57.872 56.400 0.052 0.000 0.809 516 E CB -0.292 29.414 29.700 0.009 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.459 517 D N -0.123 120.237 120.400 -0.067 0.000 2.182 517 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 517 D C 1.870 177.890 176.300 -0.467 0.000 0.986 517 D CA 1.095 55.032 54.000 -0.105 0.000 0.847 517 D CB -0.253 40.606 40.800 0.099 0.000 0.942 517 D HN 0.347 nan 8.370 nan 0.000 0.467 518 M N -0.356 118.768 119.600 -0.793 0.000 2.193 518 M HA -0.122 4.358 4.480 -0.000 0.000 0.265 518 M C 2.045 177.933 176.300 -0.687 0.000 1.071 518 M CA 0.927 55.429 55.300 -1.329 0.000 1.140 518 M CB 0.047 32.024 32.600 -1.037 0.000 1.369 518 M HN -0.079 nan 8.290 nan 0.000 0.423 519 M N 0.644 119.954 119.600 -0.483 0.000 2.080 519 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 519 M C 1.743 177.829 176.300 -0.357 0.000 1.068 519 M CA 2.431 57.447 55.300 -0.472 0.000 1.109 519 M CB -0.946 31.431 32.600 -0.371 0.000 1.342 519 M HN 0.283 nan 8.290 nan 0.000 0.405 520 T N 0.050 114.462 114.554 -0.237 0.000 2.684 520 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 520 T C 1.516 176.142 174.700 -0.123 0.000 1.036 520 T CA 1.877 63.892 62.100 -0.143 0.000 1.148 520 T CB -0.704 68.124 68.868 -0.068 0.000 0.863 520 T HN 0.546 nan 8.240 nan 0.000 0.436 521 D N 0.541 120.873 120.400 -0.114 0.000 2.123 521 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 521 D C 2.058 178.354 176.300 -0.007 0.000 0.992 521 D CA 1.021 55.071 54.000 0.083 0.000 0.833 521 D CB -0.244 40.740 40.800 0.307 0.000 0.954 521 D HN 0.343 nan 8.370 nan 0.000 0.455 522 M N -0.614 118.734 119.600 -0.420 0.000 2.132 522 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 522 M C 1.962 177.982 176.300 -0.468 0.000 1.065 522 M CA 1.299 56.102 55.300 -0.828 0.000 1.122 522 M CB -0.134 31.683 32.600 -1.305 0.000 1.365 522 M HN 0.173 nan 8.290 nan 0.000 0.411 523 C N -0.227 118.896 119.300 -0.296 0.000 2.429 523 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 523 C C 2.668 177.568 174.990 -0.151 0.000 1.262 523 C CA 0.835 59.784 59.018 -0.115 0.000 1.733 523 C CB -1.013 26.706 27.740 -0.035 0.000 2.010 523 C HN 0.505 nan 8.230 nan 0.000 0.483 524 V N 0.467 120.322 119.914 -0.099 0.000 2.323 524 V HA -0.261 3.858 4.120 -0.000 0.000 0.244 524 V C 2.393 178.470 176.094 -0.028 0.000 1.041 524 V CA 2.191 64.464 62.300 -0.045 0.000 1.025 524 V CB -0.644 31.200 31.823 0.034 0.000 0.656 524 V HN 0.577 nan 8.190 nan 0.000 0.451 525 M N 0.771 120.400 119.600 0.048 0.000 2.099 525 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 525 M C 2.495 178.687 176.300 -0.180 0.000 1.067 525 M CA 2.326 57.726 55.300 0.167 0.000 1.124 525 M CB -0.221 32.636 32.600 0.427 0.000 1.353 525 M HN 0.537 nan 8.290 nan 0.000 0.410 526 S N 0.553 115.837 115.700 -0.693 0.000 2.419 526 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 526 S C 1.927 176.151 174.600 -0.627 0.000 1.019 526 S CA 1.060 58.447 58.200 -1.356 0.000 0.982 526 S CB -0.872 61.277 63.200 -1.752 0.000 0.789 526 S HN 0.579 nan 8.310 nan 0.000 0.490 527 A N 1.863 124.413 122.820 -0.451 0.000 2.121 527 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 527 A C 2.141 179.608 177.584 -0.195 0.000 1.154 527 A CA 1.147 52.975 52.037 -0.349 0.000 0.679 527 A CB -0.502 18.315 19.000 -0.305 0.000 0.795 527 A HN 0.645 nan 8.150 nan 0.000 0.458 528 K N -0.672 119.657 120.400 -0.118 0.000 2.365 528 K HA 0.029 4.349 4.320 -0.000 0.000 0.199 528 K C 1.042 177.644 176.600 0.003 0.000 1.045 528 K CA 0.677 56.939 56.287 -0.042 0.000 0.962 528 K CB 0.010 32.519 32.500 0.014 0.000 0.759 528 K HN 0.407 nan 8.250 nan 0.000 0.469 529 I N -0.862 119.725 120.570 0.027 0.000 3.300 529 I HA 0.158 4.328 4.170 -0.000 0.000 0.279 529 I C 1.113 177.258 176.117 0.045 0.000 1.172 529 I CA 0.617 61.985 61.300 0.114 0.000 1.431 529 I CB 0.200 38.411 38.000 0.351 0.000 1.240 529 I HN 0.094 nan 8.210 nan 0.000 0.453 530 G N -0.630 108.145 108.800 -0.041 0.000 2.349 530 G HA2 0.470 4.430 3.960 -0.000 0.000 0.294 530 G HA3 0.470 4.430 3.960 -0.000 0.000 0.294 530 G C -0.753 174.006 174.900 -0.234 0.000 1.380 530 G CA -0.111 44.937 45.100 -0.087 0.000 0.811 530 G HN 0.288 nan 8.290 nan 0.000 0.519 531 G N -1.147 107.514 108.800 -0.232 0.000 2.537 531 G HA2 0.549 4.509 3.960 -0.000 0.000 0.273 531 G HA3 0.549 4.509 3.960 -0.000 0.000 0.273 531 G C -0.358 174.371 174.900 -0.284 0.000 1.189 531 G CA -0.501 44.376 45.100 -0.373 0.000 0.881 531 G HN 0.407 nan 8.290 nan 0.000 0.535 532 F N -0.677 119.192 119.950 -0.135 0.000 2.506 532 F HA 0.217 4.744 4.527 -0.000 0.000 0.351 532 F C 0.708 176.454 175.800 -0.090 0.000 1.136 532 F CA -0.698 57.216 58.000 -0.143 0.000 1.298 532 F CB 0.818 39.719 39.000 -0.166 0.000 1.145 532 F HN 0.202 nan 8.300 nan 0.000 0.593 533 L N 5.698 126.993 121.223 0.120 0.000 2.313 533 L HA 0.456 4.796 4.340 -0.000 0.000 0.282 533 L C -2.514 174.379 176.870 0.038 0.000 1.092 533 L CA -1.856 53.020 54.840 0.060 0.000 0.831 533 L CB 0.292 42.380 42.059 0.048 0.000 1.159 533 L HN 0.272 nan 8.230 nan 0.000 0.442 534 P HA 0.200 nan 4.420 nan 0.000 0.264 534 P C 0.611 177.915 177.300 0.007 0.000 1.183 534 P CA 1.072 64.182 63.100 0.017 0.000 0.763 534 P CB 0.701 32.411 31.700 0.017 0.000 0.807 535 G N 2.051 110.846 108.800 -0.008 0.000 2.199 535 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 535 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 535 G C 0.448 175.342 174.900 -0.009 0.000 0.982 535 G CA 0.236 45.335 45.100 -0.002 0.000 0.632 535 G HN 0.523 nan 8.290 nan 0.000 0.529 536 S N 0.701 116.371 115.700 -0.050 0.000 2.526 536 S HA 0.514 4.984 4.470 -0.000 0.000 0.220 536 S C 0.470 174.918 174.600 -0.254 0.000 1.159 536 S CA -0.569 57.558 58.200 -0.122 0.000 1.196 536 S CB 0.332 63.452 63.200 -0.132 0.000 1.225 536 S HN 0.470 nan 8.310 nan 0.000 0.432 537 L N 2.581 123.653 121.223 -0.251 0.000 2.472 537 L HA 0.356 4.696 4.340 -0.000 0.000 0.260 537 L C -1.992 174.554 176.870 -0.539 0.000 1.209 537 L CA -2.085 52.496 54.840 -0.430 0.000 0.817 537 L CB -0.026 41.843 42.059 -0.316 0.000 1.106 537 L HN 0.091 nan 8.230 nan 0.000 0.479 538 P HA 0.057 nan 4.420 nan 0.000 0.271 538 P C -1.529 175.511 177.300 -0.433 0.000 1.216 538 P CA -0.081 62.625 63.100 -0.657 0.000 0.771 538 P CB 0.762 31.988 31.700 -0.791 0.000 0.864 539 Q N 1.557 121.134 119.800 -0.370 0.000 2.426 539 Q HA 0.437 4.777 4.340 -0.000 0.000 0.278 539 Q C -1.507 174.306 176.000 -0.312 0.000 1.007 539 Q CA -0.843 54.815 55.803 -0.242 0.000 0.850 539 Q CB 0.584 29.243 28.738 -0.132 0.000 1.427 539 Q HN 0.103 nan 8.270 nan 0.000 0.391 540 F N 1.846 121.695 119.950 -0.168 0.000 2.484 540 F HA 0.262 4.789 4.527 -0.000 0.000 0.360 540 F C 0.644 176.345 175.800 -0.165 0.000 1.101 540 F CA -0.129 57.767 58.000 -0.173 0.000 1.251 540 F CB 0.821 39.720 39.000 -0.168 0.000 1.132 540 F HN 0.405 nan 8.300 nan 0.000 0.570 541 M N 1.638 121.199 119.600 -0.066 0.000 2.291 541 M HA 0.186 4.666 4.480 -0.000 0.000 0.324 541 M C 0.071 176.324 176.300 -0.080 0.000 1.148 541 M CA -0.898 54.296 55.300 -0.177 0.000 1.104 541 M CB 0.570 32.908 32.600 -0.436 0.000 1.483 541 M HN 0.460 nan 8.290 nan 0.000 0.467 542 E N 2.126 122.263 120.200 -0.105 0.000 2.502 542 E HA 0.035 4.385 4.350 -0.000 0.000 0.261 542 E C -2.229 174.344 176.600 -0.044 0.000 0.974 542 E CA -0.490 55.877 56.400 -0.055 0.000 0.936 542 E CB -0.340 29.319 29.700 -0.069 0.000 0.926 542 E HN 0.217 nan 8.360 nan 0.000 0.459 543 P HA 0.082 nan 4.420 nan 0.000 0.271 543 P C 0.646 177.851 177.300 -0.159 0.000 1.226 543 P CA 0.814 63.912 63.100 -0.004 0.000 0.765 543 P CB 0.922 32.621 31.700 -0.003 0.000 0.835 544 G N 2.578 111.279 108.800 -0.165 0.000 2.254 544 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.225 544 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.225 544 G C 0.761 175.605 174.900 -0.093 0.000 1.003 544 G CA -0.009 44.970 45.100 -0.203 0.000 0.622 544 G HN 0.478 nan 8.290 nan 0.000 0.507 545 L N 1.115 122.292 121.223 -0.077 0.000 2.191 545 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 545 L C 2.819 179.704 176.870 0.024 0.000 1.103 545 L CA 2.265 57.087 54.840 -0.030 0.000 0.769 545 L CB -0.357 41.630 42.059 -0.120 0.000 0.908 545 L HN 0.447 nan 8.230 nan 0.000 0.438 546 V N -0.423 119.468 119.914 -0.040 0.000 2.970 546 V HA -0.082 4.038 4.120 -0.000 0.000 0.260 546 V C 1.475 177.499 176.094 -0.116 0.000 1.100 546 V CA 0.555 62.811 62.300 -0.074 0.000 1.122 546 V CB -0.272 31.497 31.823 -0.089 0.000 0.721 546 V HN 0.454 nan 8.190 nan 0.000 0.483 547 L N 0.348 121.577 121.223 0.010 0.000 3.634 547 L HA -0.250 4.090 4.340 -0.000 0.000 0.423 547 L C 0.255 177.296 176.870 0.286 0.000 1.253 547 L CA 0.878 55.792 54.840 0.124 0.000 0.885 547 L CB -2.522 39.651 42.059 0.191 0.000 1.789 547 L HN 0.573 nan 8.230 nan 0.000 0.904 548 H N -0.728 118.460 119.070 0.197 0.000 2.505 548 H HA 0.292 4.848 4.556 -0.000 0.000 0.260 548 H C 0.456 175.928 175.328 0.240 0.000 1.168 548 H CA -1.028 55.177 56.048 0.262 0.000 0.945 548 H CB 0.762 30.720 29.762 0.327 0.000 1.800 548 H HN 0.210 nan 8.280 nan 0.000 0.586 549 L N 1.810 123.186 121.223 0.254 0.000 2.499 549 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 549 L C 0.583 177.595 176.870 0.236 0.000 1.195 549 L CA 0.760 55.699 54.840 0.164 0.000 0.882 549 L CB 0.404 42.514 42.059 0.086 0.000 1.133 549 L HN 0.297 nan 8.230 nan 0.000 0.483 550 G N 1.786 110.735 108.800 0.248 0.000 2.733 550 G HA2 0.527 4.487 3.960 -0.000 0.000 0.288 550 G HA3 0.527 4.487 3.960 -0.000 0.000 0.288 550 G C 0.308 175.315 174.900 0.178 0.000 1.373 550 G CA -0.344 44.916 45.100 0.268 0.000 0.895 550 G HN 1.315 nan 8.290 nan 0.000 0.479 551 G N -1.232 107.641 108.800 0.121 0.000 2.168 551 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.263 551 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.263 551 G C 1.357 176.317 174.900 0.101 0.000 0.977 551 G CA 1.664 46.835 45.100 0.118 0.000 0.659 551 G HN 1.905 nan 8.290 nan 0.000 0.533 552 T N -2.077 112.493 114.554 0.026 0.000 3.007 552 T HA 0.101 4.451 4.350 -0.000 0.000 0.270 552 T C 1.058 175.841 174.700 0.139 0.000 1.107 552 T CA 1.843 63.998 62.100 0.091 0.000 1.118 552 T CB -0.316 68.618 68.868 0.109 0.000 0.889 552 T HN 1.495 nan 8.240 nan 0.000 0.506 553 H N -0.331 118.813 119.070 0.122 0.000 2.695 553 H HA 0.461 5.017 4.556 -0.000 0.000 0.222 553 H C -0.098 175.273 175.328 0.070 0.000 1.412 553 H CA -1.321 54.774 56.048 0.079 0.000 1.347 553 H CB -0.308 29.466 29.762 0.019 0.000 1.858 553 H HN 0.365 nan 8.280 nan 0.000 0.519 554 R N 0.707 121.285 120.500 0.130 0.000 2.615 554 R HA 0.339 4.679 4.340 -0.000 0.000 0.270 554 R C -0.381 175.974 176.300 0.093 0.000 1.081 554 R CA -0.777 55.373 56.100 0.083 0.000 1.154 554 R CB 1.020 31.364 30.300 0.074 0.000 1.063 554 R HN 0.455 nan 8.270 nan 0.000 0.519 555 M N 1.227 120.859 119.600 0.052 0.000 2.314 555 M HA 0.453 4.933 4.480 -0.000 0.000 0.342 555 M C -0.551 175.746 176.300 -0.004 0.000 1.171 555 M CA 0.194 55.501 55.300 0.011 0.000 1.098 555 M CB 1.610 34.190 32.600 -0.034 0.000 1.559 555 M HN 0.957 nan 8.290 nan 0.000 0.459 556 G N 2.218 111.021 108.800 0.004 0.000 2.550 556 G HA2 0.387 4.347 3.960 -0.000 0.000 0.293 556 G HA3 0.387 4.347 3.960 -0.000 0.000 0.293 556 G C -0.928 173.973 174.900 0.002 0.000 1.402 556 G CA -0.691 44.376 45.100 -0.055 0.000 0.784 556 G HN 0.675 nan 8.290 nan 0.000 0.482 557 F N -0.103 119.935 119.950 0.146 0.000 2.293 557 F HA 0.273 4.800 4.527 -0.000 0.000 0.297 557 F C 1.043 176.954 175.800 0.186 0.000 1.089 557 F CA 1.170 59.258 58.000 0.147 0.000 1.377 557 F CB 0.496 39.547 39.000 0.086 0.000 1.051 557 F HN 0.382 nan 8.300 nan 0.000 0.511 558 D N -1.143 119.416 120.400 0.264 0.000 2.936 558 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 558 D C 0.600 176.753 176.300 -0.246 0.000 1.248 558 D CA -0.281 53.726 54.000 0.011 0.000 0.903 558 D CB 1.282 42.104 40.800 0.038 0.000 1.544 558 D HN 0.063 nan 8.370 nan 0.000 0.543 559 E N 3.107 122.854 120.200 -0.756 0.000 2.058 559 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 559 E C 1.251 177.673 176.600 -0.296 0.000 0.997 559 E CA 1.133 57.039 56.400 -0.823 0.000 0.801 559 E CB 0.288 29.358 29.700 -1.051 0.000 0.746 559 E HN 0.398 nan 8.360 nan 0.000 0.450 560 K N 0.321 120.593 120.400 -0.214 0.000 2.005 560 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 560 K C 2.203 178.771 176.600 -0.054 0.000 1.044 560 K CA 1.260 57.489 56.287 -0.096 0.000 0.942 560 K CB -0.077 32.380 32.500 -0.071 0.000 0.727 560 K HN 0.050 nan 8.250 nan 0.000 0.439 561 E N 0.274 120.449 120.200 -0.043 0.000 2.160 561 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 561 E C 0.506 177.103 176.600 -0.005 0.000 0.991 561 E CA 1.415 57.810 56.400 -0.008 0.000 0.810 561 E CB 0.228 29.935 29.700 0.012 0.000 0.742 561 E HN 0.275 nan 8.360 nan 0.000 0.466 562 D N -0.227 120.164 120.400 -0.015 0.000 2.402 562 D HA 0.051 4.691 4.640 -0.000 0.000 0.216 562 D C -0.686 175.553 176.300 -0.101 0.000 1.128 562 D CA -0.000 53.989 54.000 -0.018 0.000 0.833 562 D CB 0.002 40.832 40.800 0.050 0.000 0.971 562 D HN 0.168 nan 8.370 nan 0.000 0.503 563 N N 0.692 119.327 118.700 -0.109 0.000 2.667 563 N HA -0.193 4.547 4.740 -0.000 0.000 0.263 563 N C -0.199 175.227 175.510 -0.140 0.000 1.038 563 N CA 0.498 53.455 53.050 -0.155 0.000 0.749 563 N CB -1.369 36.892 38.487 -0.377 0.000 0.892 563 N HN 0.401 nan 8.380 nan 0.000 0.546 564 C N -3.145 116.150 119.300 -0.008 0.000 3.213 564 C HA 0.765 5.225 4.460 -0.000 0.000 0.319 564 C C 1.417 176.562 174.990 0.258 0.000 1.386 564 C CA -0.694 58.389 59.018 0.109 0.000 1.494 564 C CB 1.589 29.413 27.740 0.140 0.000 1.905 564 C HN 0.501 nan 8.230 nan 0.000 0.456 565 C N 0.344 119.829 119.300 0.307 0.000 2.964 565 C HA 0.501 4.960 4.460 -0.000 0.000 0.358 565 C C 0.688 175.786 174.990 0.180 0.000 1.289 565 C CA 0.629 59.825 59.018 0.296 0.000 1.856 565 C CB -0.435 27.411 27.740 0.177 0.000 2.488 565 C HN 0.956 nan 8.230 nan 0.000 0.604 566 V N 0.822 120.745 119.914 0.015 0.000 3.078 566 V HA 0.716 4.836 4.120 -0.000 0.000 0.311 566 V C -0.983 174.823 176.094 -0.480 0.000 1.138 566 V CA -0.688 61.377 62.300 -0.391 0.000 1.007 566 V CB 1.635 33.342 31.823 -0.194 0.000 1.045 566 V HN 0.365 nan 8.190 nan 0.000 0.432 567 N N 0.189 118.475 118.700 -0.689 0.000 2.566 567 N HA 0.331 5.071 4.740 -0.000 0.000 0.299 567 N C 0.979 176.343 175.510 -0.243 0.000 1.277 567 N CA 0.152 52.967 53.050 -0.392 0.000 0.965 567 N CB 0.007 38.267 38.487 -0.379 0.000 1.142 567 N HN 0.935 nan 8.380 nan 0.000 0.596 568 T N -4.681 109.756 114.554 -0.195 0.000 3.160 568 T HA 0.041 4.391 4.350 -0.000 0.000 0.257 568 T C 0.054 174.663 174.700 -0.152 0.000 1.147 568 T CA 0.528 62.511 62.100 -0.195 0.000 1.064 568 T CB -0.401 68.345 68.868 -0.204 0.000 0.949 568 T HN 0.410 nan 8.240 nan 0.000 0.526 569 D N 1.156 121.461 120.400 -0.157 0.000 2.328 569 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 569 D C 0.553 176.846 176.300 -0.011 0.000 1.072 569 D CA 0.091 54.021 54.000 -0.118 0.000 0.850 569 D CB 0.069 40.682 40.800 -0.312 0.000 0.922 569 D HN 0.318 nan 8.370 nan 0.000 0.516 570 S N 0.305 115.968 115.700 -0.061 0.000 3.521 570 S HA -0.263 4.207 4.470 -0.000 0.000 0.328 570 S C 0.543 175.128 174.600 -0.025 0.000 1.165 570 S CA 0.506 58.708 58.200 0.003 0.000 0.941 570 S CB -1.277 62.005 63.200 0.137 0.000 0.951 570 S HN 0.469 nan 8.310 nan 0.000 0.539 571 R N 0.994 121.346 120.500 -0.246 0.000 2.349 571 R HA 0.483 4.823 4.340 -0.000 0.000 0.299 571 R C -0.062 175.922 176.300 -0.527 0.000 1.027 571 R CA -0.483 55.274 56.100 -0.571 0.000 0.958 571 R CB 0.735 30.644 30.300 -0.650 0.000 1.047 571 R HN 0.127 nan 8.270 nan 0.000 0.468 572 V N 6.053 125.691 119.914 -0.459 0.000 2.529 572 V HA 0.006 4.126 4.120 -0.000 0.000 0.292 572 V C 0.168 176.181 176.094 -0.135 0.000 1.028 572 V CA 0.218 62.332 62.300 -0.310 0.000 1.074 572 V CB -0.180 31.445 31.823 -0.329 0.000 0.958 572 V HN 0.567 nan 8.190 nan 0.000 0.481 573 F N 3.816 123.794 119.950 0.047 0.000 2.623 573 F HA 0.373 4.900 4.527 -0.000 0.000 0.383 573 F C 1.599 177.532 175.800 0.222 0.000 1.077 573 F CA 1.595 59.654 58.000 0.097 0.000 1.268 573 F CB -0.125 38.926 39.000 0.085 0.000 1.053 573 F HN 0.796 nan 8.300 nan 0.000 0.571 574 G N 2.045 111.024 108.800 0.298 0.000 2.268 574 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.240 574 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.240 574 G C -0.106 174.741 174.900 -0.088 0.000 1.010 574 G CA -0.440 44.731 45.100 0.118 0.000 0.618 574 G HN 0.439 nan 8.290 nan 0.000 0.516 575 F N 1.239 121.206 119.950 0.028 0.000 2.427 575 F HA 0.583 5.110 4.527 -0.000 0.000 0.346 575 F C 1.424 177.207 175.800 -0.028 0.000 1.120 575 F CA -0.741 57.264 58.000 0.008 0.000 1.033 575 F CB 1.756 40.757 39.000 0.002 0.000 1.126 575 F HN -0.108 nan 8.300 nan 0.000 0.462 576 K N 1.254 121.744 120.400 0.150 0.000 2.217 576 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 576 K C 0.681 177.471 176.600 0.317 0.000 1.051 576 K CA 1.140 57.552 56.287 0.208 0.000 0.952 576 K CB 0.013 32.645 32.500 0.220 0.000 0.736 576 K HN 0.558 nan 8.250 nan 0.000 0.453 577 N N 0.290 119.143 118.700 0.255 0.000 2.377 577 N HA 0.049 4.789 4.740 -0.000 0.000 0.259 577 N C -0.974 174.631 175.510 0.157 0.000 1.332 577 N CA -0.325 52.904 53.050 0.299 0.000 0.877 577 N CB 0.223 38.933 38.487 0.371 0.000 1.299 577 N HN -0.042 nan 8.380 nan 0.000 0.501 578 L N 0.634 121.730 121.223 -0.211 0.000 2.404 578 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 578 L C -1.906 174.601 176.870 -0.604 0.000 0.980 578 L CA -0.645 54.063 54.840 -0.220 0.000 0.836 578 L CB 0.867 42.777 42.059 -0.249 0.000 1.238 578 L HN -0.032 nan 8.230 nan 0.000 0.408 579 F N 4.939 124.807 119.950 -0.137 0.000 2.546 579 F HA 0.697 5.224 4.527 -0.000 0.000 0.320 579 F C -0.468 175.179 175.800 -0.255 0.000 1.076 579 F CA -0.730 57.171 58.000 -0.165 0.000 0.928 579 F CB 1.839 40.776 39.000 -0.105 0.000 1.189 579 F HN 0.191 nan 8.300 nan 0.000 0.465 580 L N 1.744 122.920 121.223 -0.079 0.000 2.365 580 L HA 0.879 5.219 4.340 -0.000 0.000 0.273 580 L C -0.007 176.865 176.870 0.004 0.000 1.000 580 L CA -0.849 53.874 54.840 -0.196 0.000 0.819 580 L CB 1.989 43.793 42.059 -0.424 0.000 1.284 580 L HN 0.786 nan 8.230 nan 0.000 0.418 581 G N 0.308 109.123 108.800 0.025 0.000 2.524 581 G HA2 0.795 4.755 3.960 -0.000 0.000 0.310 581 G HA3 0.795 4.755 3.960 -0.000 0.000 0.310 581 G C -0.518 174.506 174.900 0.206 0.000 1.279 581 G CA -0.262 44.957 45.100 0.199 0.000 0.974 581 G HN 0.969 nan 8.290 nan 0.000 0.484 582 G N -1.061 107.856 108.800 0.194 0.000 2.347 582 G HA2 0.088 4.047 3.960 -0.000 0.000 0.341 582 G HA3 0.088 4.047 3.960 -0.000 0.000 0.341 582 G C 0.765 175.719 174.900 0.091 0.000 1.287 582 G CA 0.113 45.300 45.100 0.146 0.000 0.984 582 G HN 1.086 nan 8.290 nan 0.000 0.526 583 C N 0.612 119.946 119.300 0.057 0.000 2.419 583 C HA 0.158 4.618 4.460 -0.000 0.000 0.281 583 C C 3.099 178.068 174.990 -0.035 0.000 1.336 583 C CA 1.983 61.015 59.018 0.023 0.000 1.770 583 C CB -1.363 26.429 27.740 0.087 0.000 1.929 583 C HN 1.271 nan 8.230 nan 0.000 0.509 584 G N 1.140 109.827 108.800 -0.189 0.000 2.485 584 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 584 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 584 G C 1.406 175.956 174.900 -0.583 0.000 1.115 584 G CA 0.911 45.631 45.100 -0.634 0.000 0.751 584 G HN 0.567 nan 8.290 nan 0.000 0.567 585 N N 0.317 118.874 118.700 -0.238 0.000 2.396 585 N HA 0.017 4.757 4.740 -0.000 0.000 0.180 585 N C 0.895 176.413 175.510 0.014 0.000 1.028 585 N CA 0.176 53.224 53.050 -0.003 0.000 0.893 585 N CB 0.021 38.562 38.487 0.090 0.000 0.967 585 N HN 0.315 nan 8.380 nan 0.000 0.440 586 I N 2.876 123.456 120.570 0.016 0.000 2.517 586 I HA 0.037 4.207 4.170 -0.000 0.000 0.285 586 I C -1.395 174.810 176.117 0.146 0.000 1.106 586 I CA -0.930 60.409 61.300 0.064 0.000 1.402 586 I CB 1.251 39.236 38.000 -0.024 0.000 1.399 586 I HN -0.054 nan 8.210 nan 0.000 0.535 587 P HA 0.089 nan 4.420 nan 0.000 0.282 587 P C 0.104 177.500 177.300 0.160 0.000 1.327 587 P CA 0.113 63.291 63.100 0.129 0.000 0.949 587 P CB 0.346 32.083 31.700 0.062 0.000 1.445 588 T N -2.218 112.464 114.554 0.213 0.000 2.912 588 T HA 0.689 5.039 4.350 -0.000 0.000 0.280 588 T C 0.208 175.062 174.700 0.257 0.000 0.989 588 T CA -0.857 61.361 62.100 0.197 0.000 0.995 588 T CB 1.303 70.267 68.868 0.160 0.000 1.077 588 T HN 0.052 nan 8.240 nan 0.000 0.531 589 A N 1.940 124.846 122.820 0.143 0.000 2.350 589 A HA 0.584 4.904 4.320 -0.000 0.000 0.293 589 A C -0.543 177.040 177.584 -0.002 0.000 1.231 589 A CA -0.822 51.249 52.037 0.057 0.000 0.883 589 A CB -0.996 18.047 19.000 0.073 0.000 1.133 589 A HN 0.830 nan 8.150 nan 0.000 0.533 590 Y N -0.276 119.961 120.300 -0.104 0.000 2.524 590 Y HA 0.737 5.287 4.550 -0.000 0.000 0.344 590 Y C 0.811 176.614 175.900 -0.163 0.000 1.012 590 Y CA -0.876 56.998 58.100 -0.376 0.000 1.068 590 Y CB 1.416 39.473 38.460 -0.671 0.000 1.249 590 Y HN 0.354 nan 8.280 nan 0.000 0.468 591 G N 0.222 108.951 108.800 -0.119 0.000 2.743 591 G HA2 0.408 4.367 3.960 -0.000 0.000 0.206 591 G HA3 0.408 4.367 3.960 -0.000 0.000 0.206 591 G C 0.345 175.311 174.900 0.110 0.000 1.115 591 G CA 0.205 45.404 45.100 0.166 0.000 0.782 591 G HN 0.940 nan 8.290 nan 0.000 0.524 592 A N 0.681 123.387 122.820 -0.190 0.000 2.313 592 A HA 0.529 4.849 4.320 -0.000 0.000 0.261 592 A C -0.129 177.355 177.584 -0.167 0.000 1.090 592 A CA -0.574 51.227 52.037 -0.394 0.000 0.807 592 A CB 0.131 18.888 19.000 -0.404 0.000 1.055 592 A HN 0.349 nan 8.150 nan 0.000 0.492 593 N N 1.742 120.207 118.700 -0.392 0.000 2.483 593 N HA 0.258 4.998 4.740 -0.000 0.000 0.264 593 N C -2.106 173.322 175.510 -0.136 0.000 1.197 593 N CA -0.814 51.986 53.050 -0.418 0.000 0.927 593 N CB 0.519 38.823 38.487 -0.305 0.000 1.065 593 N HN 0.391 nan 8.380 nan 0.000 0.461 594 P HA 0.039 nan 4.420 nan 0.000 0.257 594 P C 0.473 177.678 177.300 -0.157 0.000 1.241 594 P CA 0.488 63.497 63.100 -0.152 0.000 0.816 594 P CB 0.380 31.982 31.700 -0.164 0.000 1.150 595 T N 0.959 115.502 114.554 -0.018 0.000 2.746 595 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 595 T C 1.735 176.525 174.700 0.151 0.000 1.039 595 T CA 0.968 63.118 62.100 0.083 0.000 1.142 595 T CB -0.759 68.201 68.868 0.153 0.000 0.866 595 T HN 0.016 nan 8.240 nan 0.000 0.444 596 L N 1.087 122.410 121.223 0.167 0.000 2.083 596 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 596 L C 2.499 179.451 176.870 0.137 0.000 1.083 596 L CA 1.721 56.715 54.840 0.256 0.000 0.752 596 L CB -1.035 41.151 42.059 0.212 0.000 0.899 596 L HN 0.177 nan 8.230 nan 0.000 0.433 597 T N -0.346 114.162 114.554 -0.078 0.000 2.746 597 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 597 T C 1.881 176.507 174.700 -0.122 0.000 1.039 597 T CA 1.283 63.257 62.100 -0.209 0.000 1.142 597 T CB -0.470 67.874 68.868 -0.874 0.000 0.866 597 T HN 0.523 nan 8.240 nan 0.000 0.444 598 A N 1.223 123.976 122.820 -0.111 0.000 1.969 598 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 598 A C 2.280 179.835 177.584 -0.049 0.000 1.169 598 A CA 1.578 53.581 52.037 -0.056 0.000 0.635 598 A CB -0.652 18.335 19.000 -0.022 0.000 0.810 598 A HN 0.537 nan 8.150 nan 0.000 0.445 599 M N -0.298 119.282 119.600 -0.033 0.000 2.132 599 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 599 M C 2.077 178.292 176.300 -0.142 0.000 1.065 599 M CA 2.082 57.335 55.300 -0.078 0.000 1.122 599 M CB -0.134 32.431 32.600 -0.059 0.000 1.365 599 M HN 0.343 nan 8.290 nan 0.000 0.411 600 S N 1.271 116.889 115.700 -0.135 0.000 2.370 600 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 600 S C 1.764 176.175 174.600 -0.315 0.000 1.033 600 S CA 1.477 59.528 58.200 -0.248 0.000 1.011 600 S CB -0.627 62.377 63.200 -0.326 0.000 0.852 600 S HN 0.520 nan 8.310 nan 0.000 0.457 601 L N 1.072 122.146 121.223 -0.249 0.000 2.083 601 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 601 L C 2.774 179.509 176.870 -0.226 0.000 1.083 601 L CA 1.180 55.874 54.840 -0.243 0.000 0.752 601 L CB -0.699 41.285 42.059 -0.124 0.000 0.899 601 L HN 0.336 nan 8.230 nan 0.000 0.433 602 A N 0.296 122.976 122.820 -0.234 0.000 1.898 602 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 602 A C 2.219 179.483 177.584 -0.534 0.000 1.181 602 A CA 1.326 53.107 52.037 -0.427 0.000 0.620 602 A CB -0.583 18.157 19.000 -0.433 0.000 0.819 602 A HN 0.335 nan 8.150 nan 0.000 0.442 603 I N -0.432 119.916 120.570 -0.371 0.000 2.163 603 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 603 I C 2.546 178.498 176.117 -0.276 0.000 1.085 603 I CA 1.923 63.036 61.300 -0.310 0.000 1.347 603 I CB -0.258 37.583 38.000 -0.265 0.000 1.044 603 I HN 0.362 nan 8.210 nan 0.000 0.408 604 K N 0.482 120.717 120.400 -0.275 0.000 2.097 604 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 604 K C 2.342 178.853 176.600 -0.147 0.000 1.049 604 K CA 1.721 57.877 56.287 -0.218 0.000 0.933 604 K CB -0.093 32.243 32.500 -0.273 0.000 0.717 604 K HN 0.158 nan 8.250 nan 0.000 0.442 605 S N -0.144 115.449 115.700 -0.179 0.000 2.382 605 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 605 S C 2.016 176.527 174.600 -0.149 0.000 1.027 605 S CA 1.349 59.492 58.200 -0.095 0.000 0.991 605 S CB -0.378 62.803 63.200 -0.032 0.000 0.823 605 S HN 0.552 nan 8.310 nan 0.000 0.469 606 C N 1.472 120.599 119.300 -0.287 0.000 2.435 606 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 606 C C 2.494 177.401 174.990 -0.138 0.000 1.321 606 C CA 0.542 59.404 59.018 -0.261 0.000 1.752 606 C CB -1.399 26.144 27.740 -0.328 0.000 1.959 606 C HN 0.679 nan 8.230 nan 0.000 0.500 607 E N -0.433 119.708 120.200 -0.099 0.000 2.097 607 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 607 E C 1.819 178.419 176.600 -0.001 0.000 1.000 607 E CA 1.728 58.101 56.400 -0.045 0.000 0.804 607 E CB -0.316 29.354 29.700 -0.051 0.000 0.740 607 E HN 0.840 nan 8.360 nan 0.000 0.454 608 Y N 1.059 121.325 120.300 -0.056 0.000 2.200 608 Y HA -0.171 4.379 4.550 -0.000 0.000 0.290 608 Y C 1.966 177.895 175.900 0.050 0.000 1.137 608 Y CA 1.338 59.447 58.100 0.016 0.000 1.163 608 Y CB -0.033 38.473 38.460 0.076 0.000 0.988 608 Y HN -0.052 nan 8.280 nan 0.000 0.518 609 I N 0.363 120.952 120.570 0.032 0.000 2.226 609 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 609 I C 2.073 178.227 176.117 0.062 0.000 1.100 609 I CA 1.758 63.070 61.300 0.020 0.000 1.374 609 I CB -0.367 37.459 38.000 -0.291 0.000 1.057 609 I HN 0.176 nan 8.210 nan 0.000 0.413 610 K N 0.363 120.768 120.400 0.008 0.000 2.288 610 K HA -0.127 4.193 4.320 -0.000 0.000 0.201 610 K C 1.930 178.549 176.600 0.033 0.000 1.048 610 K CA 0.827 57.181 56.287 0.112 0.000 0.956 610 K CB -0.072 32.479 32.500 0.084 0.000 0.746 610 K HN 0.408 nan 8.250 nan 0.000 0.461 611 Q N 0.067 119.813 119.800 -0.090 0.000 2.435 611 Q HA 0.048 4.388 4.340 -0.000 0.000 0.207 611 Q C 0.939 176.790 176.000 -0.250 0.000 0.956 611 Q CA 0.626 56.330 55.803 -0.165 0.000 0.917 611 Q CB 0.337 28.951 28.738 -0.207 0.000 0.997 611 Q HN 0.281 nan 8.270 nan 0.000 0.497 612 N N -1.255 117.267 118.700 -0.296 0.000 2.113 612 N HA 0.148 4.888 4.740 -0.000 0.000 0.223 612 N C -0.957 174.142 175.510 -0.686 0.000 1.310 612 N CA 0.215 52.960 53.050 -0.509 0.000 0.896 612 N CB 1.099 39.136 38.487 -0.749 0.000 1.097 612 N HN -0.002 nan 8.380 nan 0.000 0.507 613 F N 0.628 120.604 119.950 0.042 0.000 2.565 613 F HA 0.379 4.906 4.527 -0.000 0.000 0.313 613 F C 0.147 176.062 175.800 0.190 0.000 1.091 613 F CA -0.628 57.451 58.000 0.133 0.000 0.915 613 F CB 1.927 41.032 39.000 0.174 0.000 1.208 613 F HN -0.387 nan 8.300 nan 0.000 0.453 614 T N 3.798 118.504 114.554 0.253 0.000 2.829 614 T HA 0.451 4.800 4.350 -0.000 0.000 0.282 614 T C -2.576 172.105 174.700 -0.032 0.000 0.990 614 T CA -1.396 60.744 62.100 0.066 0.000 1.028 614 T CB 1.271 70.151 68.868 0.020 0.000 0.951 614 T HN 0.150 nan 8.240 nan 0.000 0.460 615 P HA 0.205 nan 4.420 nan 0.000 0.275 615 P C -0.060 177.146 177.300 -0.157 0.000 1.227 615 P CA -0.555 62.276 63.100 -0.449 0.000 0.781 615 P CB 0.369 31.610 31.700 -0.765 0.000 0.906 616 S N 3.105 118.759 115.700 -0.076 0.000 2.568 616 S HA 0.263 4.733 4.470 -0.000 0.000 0.282 616 S C -2.059 172.522 174.600 -0.031 0.000 1.338 616 S CA -0.837 57.342 58.200 -0.034 0.000 1.045 616 S CB -0.823 62.362 63.200 -0.026 0.000 0.873 616 S HN 0.325 nan 8.310 nan 0.000 0.516 617 P HA 0.271 nan 4.420 nan 0.000 0.279 617 P C -0.209 177.148 177.300 0.095 0.000 1.239 617 P CA -0.653 62.473 63.100 0.043 0.000 0.789 617 P CB 0.251 31.974 31.700 0.038 0.000 0.933 618 F N 0.000 119.934 119.950 -0.026 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.990 58.000 -0.016 0.000 1.383 618 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574