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 3p9q_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.571 174.600 -0.048 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 28 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 29 L N -0.342 120.845 121.223 -0.060 0.000 2.216 29 L HA 1.105 5.482 4.340 0.062 0.000 0.260 29 L C 0.603 177.392 176.870 -0.135 0.000 1.036 29 L CA -0.976 53.813 54.840 -0.086 0.000 0.914 29 L CB -0.494 41.521 42.059 -0.073 0.000 1.501 29 L HN 0.308 nan 8.230 nan 0.000 0.485 30 A N 0.378 123.064 122.820 -0.223 0.000 2.445 30 A HA 0.586 4.943 4.320 0.062 0.000 0.242 30 A C -2.082 175.340 177.584 -0.270 0.000 1.075 30 A CA -0.732 51.042 52.037 -0.439 0.000 0.777 30 A CB -1.236 17.266 19.000 -0.830 0.000 1.013 30 A HN 0.707 nan 8.150 nan 0.000 0.493 31 P HA 0.065 nan 4.420 nan 0.000 0.269 31 P C 0.253 177.527 177.300 -0.042 0.000 1.209 31 P CA 0.008 63.063 63.100 -0.075 0.000 0.776 31 P CB 0.772 32.468 31.700 -0.006 0.000 0.876 32 E N 1.456 121.645 120.200 -0.017 0.000 2.209 32 E HA -0.232 4.155 4.350 0.062 0.000 0.196 32 E C 1.095 177.715 176.600 0.033 0.000 0.993 32 E CA 1.671 58.074 56.400 0.004 0.000 0.819 32 E CB -0.210 29.491 29.700 0.000 0.000 0.745 32 E HN 0.503 nan 8.360 nan 0.000 0.477 33 D N -1.304 119.121 120.400 0.043 0.000 2.363 33 D HA 0.011 4.688 4.640 0.062 0.000 0.226 33 D C 1.299 177.650 176.300 0.085 0.000 1.020 33 D CA 0.809 54.840 54.000 0.052 0.000 0.892 33 D CB -0.204 40.619 40.800 0.038 0.000 0.900 33 D HN 0.260 nan 8.370 nan 0.000 0.531 34 G N 0.262 109.157 108.800 0.159 0.000 2.155 34 G HA2 -0.349 3.648 3.960 0.062 0.000 0.257 34 G HA3 -0.349 3.648 3.960 0.062 0.000 0.257 34 G C 1.005 176.008 174.900 0.171 0.000 0.983 34 G CA 0.844 46.084 45.100 0.233 0.000 0.676 34 G HN 0.715 nan 8.290 nan 0.000 0.528 35 S N -0.209 115.605 115.700 0.190 0.000 2.603 35 S HA 0.082 4.589 4.470 0.062 0.000 0.220 35 S C 1.676 176.340 174.600 0.107 0.000 0.967 35 S CA 1.069 59.325 58.200 0.094 0.000 0.920 35 S CB -0.610 62.632 63.200 0.069 0.000 0.773 35 S HN 1.011 nan 8.310 nan 0.000 0.529 36 H N 0.292 119.368 119.070 0.011 0.000 2.495 36 H HA 0.300 4.893 4.556 0.062 0.000 0.287 36 H C 1.136 176.476 175.328 0.019 0.000 1.033 36 H CA 0.403 56.459 56.048 0.013 0.000 1.307 36 H CB -0.078 29.691 29.762 0.011 0.000 1.401 36 H HN 0.281 nan 8.280 nan 0.000 0.555 37 R N 2.229 122.439 120.500 -0.483 0.000 2.295 37 R HA 0.334 4.711 4.340 0.062 0.000 0.324 37 R C -2.846 173.364 176.300 -0.151 0.000 0.968 37 R CA -2.823 53.056 56.100 -0.368 0.000 0.837 37 R CB 0.596 30.576 30.300 -0.533 0.000 1.133 37 R HN 0.102 nan 8.270 nan 0.000 0.450 38 P HA 0.112 nan 4.420 nan 0.000 0.268 38 P C -0.913 176.378 177.300 -0.014 0.000 1.205 38 P CA -0.232 62.858 63.100 -0.016 0.000 0.771 38 P CB 0.861 32.577 31.700 0.026 0.000 0.858 39 A N 3.019 125.837 122.820 -0.003 0.000 2.511 39 A HA 0.370 4.727 4.320 0.062 0.000 0.242 39 A C 0.925 178.520 177.584 0.018 0.000 1.069 39 A CA 0.163 52.201 52.037 0.002 0.000 0.763 39 A CB -0.405 18.599 19.000 0.007 0.000 1.001 39 A HN 0.581 nan 8.150 nan 0.000 0.498 40 A N 3.105 125.935 122.820 0.016 0.000 3.118 40 A HA 0.490 4.847 4.320 0.062 0.000 0.256 40 A C 0.281 177.883 177.584 0.030 0.000 1.667 40 A CA -0.092 51.962 52.037 0.027 0.000 1.338 40 A CB -0.426 18.587 19.000 0.021 0.000 1.127 40 A HN 0.760 nan 8.150 nan 0.000 0.634 41 E N 0.233 120.453 120.200 0.034 0.000 2.433 41 E HA 0.387 4.774 4.350 0.062 0.000 0.278 41 E C -3.110 173.514 176.600 0.040 0.000 0.976 41 E CA -2.029 54.392 56.400 0.036 0.000 0.793 41 E CB 1.610 31.325 29.700 0.026 0.000 1.311 41 E HN 0.059 nan 8.360 nan 0.000 0.460 42 P HA 0.112 nan 4.420 nan 0.000 0.271 42 P C -0.656 176.654 177.300 0.017 0.000 1.220 42 P CA 0.134 63.251 63.100 0.029 0.000 0.768 42 P CB 0.292 31.997 31.700 0.010 0.000 0.848 43 T N 0.866 115.426 114.554 0.010 0.000 2.900 43 T HA 0.650 5.037 4.350 0.062 0.000 0.303 43 T C -2.991 171.684 174.700 -0.042 0.000 1.142 43 T CA -2.551 59.549 62.100 -0.000 0.000 1.007 43 T CB 1.796 70.669 68.868 0.009 0.000 1.156 43 T HN 0.064 nan 8.240 nan 0.000 0.490 44 P HA 0.429 nan 4.420 nan 0.000 0.276 44 P C -2.797 174.370 177.300 -0.222 0.000 1.261 44 P CA -1.830 61.121 63.100 -0.248 0.000 0.800 44 P CB -0.870 30.752 31.700 -0.130 0.000 1.066 45 P HA 0.056 nan 4.420 nan 0.000 0.265 45 P C 1.076 178.334 177.300 -0.070 0.000 1.193 45 P CA 1.389 64.397 63.100 -0.154 0.000 0.765 45 P CB -0.211 31.393 31.700 -0.160 0.000 0.823 46 G N 2.402 111.189 108.800 -0.022 0.000 2.234 46 G HA2 -0.366 3.631 3.960 0.062 0.000 0.260 46 G HA3 -0.366 3.631 3.960 0.062 0.000 0.260 46 G C 1.162 176.062 174.900 0.001 0.000 0.987 46 G CA 0.483 45.583 45.100 -0.001 0.000 0.625 46 G HN 0.686 nan 8.290 nan 0.000 0.532 47 A N -1.230 121.587 122.820 -0.006 0.000 2.016 47 A HA 0.435 4.793 4.320 0.062 0.000 0.217 47 A C 1.330 178.919 177.584 0.009 0.000 1.162 47 A CA 1.964 54.002 52.037 0.002 0.000 0.662 47 A CB 0.034 19.033 19.000 -0.001 0.000 0.812 47 A HN 0.486 nan 8.150 nan 0.000 0.450 48 Q N -1.062 118.747 119.800 0.015 0.000 2.456 48 Q HA 0.423 4.800 4.340 0.062 0.000 0.284 48 Q C -2.972 173.045 176.000 0.028 0.000 1.061 48 Q CA -2.024 53.792 55.803 0.020 0.000 0.799 48 Q CB 1.241 29.995 28.738 0.025 0.000 1.445 48 Q HN 0.058 nan 8.270 nan 0.000 0.411 49 P HA 0.034 nan 4.420 nan 0.000 0.269 49 P C -0.205 177.129 177.300 0.057 0.000 1.209 49 P CA 0.065 63.182 63.100 0.028 0.000 0.776 49 P CB 0.198 31.912 31.700 0.023 0.000 0.876 50 T N -0.673 113.914 114.554 0.055 0.000 2.813 50 T HA 0.580 4.967 4.350 0.062 0.000 0.297 50 T C 0.016 174.806 174.700 0.151 0.000 1.036 50 T CA -0.452 61.731 62.100 0.138 0.000 1.044 50 T CB 0.580 69.475 68.868 0.044 0.000 0.993 50 T HN 0.586 nan 8.240 nan 0.000 0.535 51 A N 1.672 124.688 122.820 0.327 0.000 2.609 51 A HA 0.782 5.139 4.320 0.062 0.000 0.291 51 A C -3.008 174.843 177.584 0.445 0.000 1.096 51 A CA -2.024 50.175 52.037 0.270 0.000 0.684 51 A CB 0.665 19.773 19.000 0.179 0.000 1.282 51 A HN 0.678 nan 8.150 nan 0.000 0.412 52 P HA 0.120 nan 4.420 nan 0.000 0.265 52 P C 1.182 178.634 177.300 0.253 0.000 1.187 52 P CA 0.879 64.197 63.100 0.363 0.000 0.766 52 P CB 0.501 32.336 31.700 0.226 0.000 0.820 53 G N 2.243 111.154 108.800 0.184 0.000 2.442 53 G HA2 -0.288 3.709 3.960 0.062 0.000 0.219 53 G HA3 -0.288 3.709 3.960 0.062 0.000 0.219 53 G C 1.557 176.475 174.900 0.031 0.000 1.141 53 G CA 1.099 46.220 45.100 0.035 0.000 0.763 53 G HN 0.598 nan 8.290 nan 0.000 0.554 54 S N 0.098 115.821 115.700 0.037 0.000 2.453 54 S HA 0.119 4.626 4.470 0.062 0.000 0.231 54 S C 2.226 176.845 174.600 0.032 0.000 1.005 54 S CA 0.801 59.009 58.200 0.013 0.000 0.949 54 S CB -0.193 63.008 63.200 0.002 0.000 0.774 54 S HN 0.316 nan 8.310 nan 0.000 0.510 55 L N -0.058 121.200 121.223 0.060 0.000 2.249 55 L HA 0.254 4.631 4.340 0.062 0.000 0.207 55 L C 2.663 179.567 176.870 0.057 0.000 1.090 55 L CA 0.866 55.741 54.840 0.058 0.000 0.802 55 L CB -0.326 41.776 42.059 0.072 0.000 0.947 55 L HN 0.255 nan 8.230 nan 0.000 0.453 56 K N 1.346 121.791 120.400 0.074 0.000 2.167 56 K HA 0.067 4.424 4.320 0.062 0.000 0.203 56 K C 0.712 177.343 176.600 0.051 0.000 1.052 56 K CA 1.134 57.464 56.287 0.072 0.000 0.956 56 K CB 0.205 32.764 32.500 0.099 0.000 0.735 56 K HN 0.134 nan 8.250 nan 0.000 0.451 57 A N 0.898 123.740 122.820 0.037 0.000 3.355 57 A HA 0.345 4.702 4.320 0.062 0.000 0.290 57 A C -2.182 175.407 177.584 0.009 0.000 0.973 57 A CA -0.938 51.117 52.037 0.030 0.000 0.933 57 A CB 0.577 19.598 19.000 0.035 0.000 1.138 57 A HN 0.150 nan 8.150 nan 0.000 0.490 58 P HA -0.118 nan 4.420 nan 0.000 0.222 58 P C 0.124 177.417 177.300 -0.011 0.000 1.147 58 P CA 1.131 64.230 63.100 -0.002 0.000 0.790 58 P CB 0.323 32.026 31.700 0.006 0.000 0.780 59 D N -0.762 119.636 120.400 -0.003 0.000 2.340 59 D HA 0.013 4.690 4.640 0.062 0.000 0.220 59 D C 0.300 176.588 176.300 -0.020 0.000 1.039 59 D CA 0.611 54.606 54.000 -0.009 0.000 0.866 59 D CB -0.339 40.464 40.800 0.004 0.000 0.913 59 D HN 0.129 nan 8.370 nan 0.000 0.523 60 T N 1.850 116.388 114.554 -0.025 0.000 2.729 60 T HA 0.375 4.762 4.350 0.062 0.000 0.296 60 T C 0.474 175.129 174.700 -0.075 0.000 0.928 60 T CA -0.219 61.851 62.100 -0.050 0.000 1.045 60 T CB 1.043 69.878 68.868 -0.055 0.000 0.902 60 T HN -0.072 nan 8.240 nan 0.000 0.500 61 R N 2.848 123.298 120.500 -0.084 0.000 2.837 61 R HA 0.678 5.056 4.340 0.062 0.000 0.271 61 R C -0.539 175.702 176.300 -0.098 0.000 0.993 61 R CA -1.066 54.978 56.100 -0.093 0.000 0.931 61 R CB 1.562 31.815 30.300 -0.078 0.000 1.206 61 R HN 0.763 nan 8.270 nan 0.000 0.474 62 N N -1.661 116.981 118.700 -0.095 0.000 2.934 62 N HA 0.027 4.804 4.740 0.062 0.000 0.253 62 N C -0.005 175.458 175.510 -0.079 0.000 1.466 62 N CA -0.948 52.059 53.050 -0.073 0.000 0.858 62 N CB 0.789 39.263 38.487 -0.022 0.000 1.459 62 N HN 0.625 nan 8.380 nan 0.000 0.532 63 E N -0.250 119.918 120.200 -0.054 0.000 2.085 63 E HA -0.286 4.101 4.350 0.062 0.000 0.194 63 E C 1.097 177.624 176.600 -0.122 0.000 0.994 63 E CA 1.527 57.889 56.400 -0.063 0.000 0.801 63 E CB 0.076 29.764 29.700 -0.020 0.000 0.743 63 E HN 0.507 nan 8.360 nan 0.000 0.453 64 K N 0.652 120.944 120.400 -0.179 0.000 2.057 64 K HA -0.079 4.278 4.320 0.062 0.000 0.206 64 K C 2.093 178.521 176.600 -0.286 0.000 1.050 64 K CA 1.079 57.164 56.287 -0.337 0.000 0.935 64 K CB -0.401 31.709 32.500 -0.650 0.000 0.715 64 K HN 0.171 nan 8.250 nan 0.000 0.439 65 L N 0.928 121.997 121.223 -0.257 0.000 2.042 65 L HA -0.243 4.134 4.340 0.062 0.000 0.210 65 L C 1.857 178.607 176.870 -0.200 0.000 1.076 65 L CA 1.383 56.045 54.840 -0.296 0.000 0.749 65 L CB -0.586 41.295 42.059 -0.296 0.000 0.893 65 L HN 0.294 nan 8.230 nan 0.000 0.432 66 N N -0.437 118.172 118.700 -0.151 0.000 2.188 66 N HA -0.146 4.632 4.740 0.062 0.000 0.184 66 N C 2.036 177.483 175.510 -0.105 0.000 1.018 66 N CA 1.620 54.605 53.050 -0.109 0.000 0.858 66 N CB -0.421 38.016 38.487 -0.084 0.000 0.989 66 N HN 0.362 nan 8.380 nan 0.000 0.426 67 S N 0.396 116.023 115.700 -0.122 0.000 2.474 67 S HA 0.017 4.524 4.470 0.062 0.000 0.235 67 S C 1.708 176.242 174.600 -0.109 0.000 0.997 67 S CA 0.426 58.562 58.200 -0.107 0.000 0.949 67 S CB -0.461 62.668 63.200 -0.118 0.000 0.766 67 S HN 0.250 nan 8.310 nan 0.000 0.517 68 L N 0.762 121.906 121.223 -0.132 0.000 2.599 68 L HA 0.240 4.618 4.340 0.062 0.000 0.230 68 L C 2.467 179.288 176.870 -0.083 0.000 1.141 68 L CA 0.407 55.179 54.840 -0.114 0.000 0.877 68 L CB -0.317 41.657 42.059 -0.143 0.000 1.009 68 L HN 0.275 nan 8.230 nan 0.000 0.447 69 E N 1.022 121.177 120.200 -0.075 0.000 2.268 69 E HA -0.231 4.156 4.350 0.062 0.000 0.195 69 E C 1.689 178.265 176.600 -0.041 0.000 0.995 69 E CA 1.291 57.659 56.400 -0.053 0.000 0.836 69 E CB 0.017 29.689 29.700 -0.047 0.000 0.763 69 E HN 0.550 nan 8.360 nan 0.000 0.491 70 D N -0.438 119.936 120.400 -0.044 0.000 2.218 70 D HA -0.148 4.529 4.640 0.062 0.000 0.204 70 D C 1.644 177.924 176.300 -0.033 0.000 0.976 70 D CA 1.628 55.607 54.000 -0.035 0.000 0.853 70 D CB -0.360 40.418 40.800 -0.036 0.000 0.939 70 D HN 0.307 nan 8.370 nan 0.000 0.481 71 V N -3.463 116.429 119.914 -0.036 0.000 3.605 71 V HA 0.312 4.469 4.120 0.062 0.000 0.284 71 V C 0.892 176.972 176.094 -0.022 0.000 1.386 71 V CA -0.667 61.615 62.300 -0.029 0.000 1.053 71 V CB -0.486 31.320 31.823 -0.028 0.000 0.857 71 V HN -0.158 nan 8.190 nan 0.000 0.436 72 R N 2.073 122.559 120.500 -0.023 0.000 2.489 72 R HA 0.399 4.776 4.340 0.062 0.000 0.287 72 R C -0.230 176.063 176.300 -0.011 0.000 1.053 72 R CA 0.157 56.251 56.100 -0.010 0.000 1.036 72 R CB 0.629 30.923 30.300 -0.010 0.000 0.966 72 R HN 0.372 nan 8.270 nan 0.000 0.432 73 K N 1.198 121.595 120.400 -0.005 0.000 2.376 73 K HA 0.338 4.695 4.320 0.062 0.000 0.257 73 K C -0.053 176.551 176.600 0.006 0.000 0.939 73 K CA -0.414 55.855 56.287 -0.029 0.000 0.809 73 K CB 1.776 34.245 32.500 -0.052 0.000 1.121 73 K HN 0.684 nan 8.250 nan 0.000 0.425 74 G N 0.582 109.400 108.800 0.030 0.000 2.582 74 G HA2 0.287 4.284 3.960 0.062 0.000 0.232 74 G HA3 0.287 4.284 3.960 0.062 0.000 0.232 74 G C 0.234 175.227 174.900 0.156 0.000 1.458 74 G CA 0.271 45.446 45.100 0.125 0.000 1.062 74 G HN 0.756 nan 8.290 nan 0.000 0.566 75 S N -2.664 113.219 115.700 0.306 0.000 2.323 75 S HA 0.099 4.606 4.470 0.062 0.000 0.233 75 S C 0.187 174.967 174.600 0.300 0.000 0.898 75 S CA -0.115 58.269 58.200 0.307 0.000 1.321 75 S CB -0.014 63.274 63.200 0.146 0.000 0.921 75 S HN 0.483 nan 8.310 nan 0.000 0.398 76 E N 2.984 123.275 120.200 0.151 0.000 2.415 76 E HA 0.294 4.682 4.350 0.062 0.000 0.263 76 E C -0.201 176.301 176.600 -0.162 0.000 0.995 76 E CA 0.247 56.655 56.400 0.014 0.000 0.915 76 E CB 0.068 29.770 29.700 0.004 0.000 0.951 76 E HN 0.381 nan 8.360 nan 0.000 0.449 77 N N 0.672 119.293 118.700 -0.132 0.000 2.909 77 N HA -0.212 4.565 4.740 0.062 0.000 0.242 77 N C -1.194 174.160 175.510 -0.260 0.000 0.975 77 N CA 1.152 54.077 53.050 -0.208 0.000 0.921 77 N CB -1.350 36.968 38.487 -0.281 0.000 1.112 77 N HN 0.384 nan 8.380 nan 0.000 0.581 78 Y N 0.605 120.910 120.300 0.009 0.000 2.387 78 Y HA 0.647 5.234 4.550 0.063 0.000 0.330 78 Y C 0.917 176.819 175.900 0.005 0.000 1.133 78 Y CA -0.587 57.517 58.100 0.007 0.000 1.152 78 Y CB 1.115 39.580 38.460 0.007 0.000 1.215 78 Y HN 0.122 nan 8.280 nan 0.000 0.466 79 A N 2.735 125.670 122.820 0.192 0.000 2.371 79 A HA 0.423 4.780 4.320 0.062 0.000 0.257 79 A C -0.748 176.887 177.584 0.084 0.000 1.089 79 A CA -0.516 51.582 52.037 0.102 0.000 0.794 79 A CB 0.140 19.186 19.000 0.078 0.000 1.029 79 A HN 0.717 nan 8.150 nan 0.000 0.488 80 L N 2.710 123.963 121.223 0.049 0.000 2.367 80 L HA 0.549 4.926 4.340 0.062 0.000 0.275 80 L C 0.583 177.462 176.870 0.016 0.000 1.129 80 L CA 1.070 55.926 54.840 0.026 0.000 0.839 80 L CB 0.536 42.602 42.059 0.011 0.000 1.133 80 L HN 0.912 nan 8.230 nan 0.000 0.453 81 T N 0.301 114.859 114.554 0.006 0.000 2.865 81 T HA 0.631 5.018 4.350 0.062 0.000 0.294 81 T C 0.131 174.833 174.700 0.004 0.000 1.119 81 T CA -0.208 61.898 62.100 0.011 0.000 1.007 81 T CB 0.991 69.868 68.868 0.015 0.000 1.225 81 T HN 0.828 nan 8.240 nan 0.000 0.515 82 T N 0.344 114.914 114.554 0.027 0.000 2.748 82 T HA 0.191 4.578 4.350 0.062 0.000 0.304 82 T C 1.105 175.824 174.700 0.030 0.000 1.041 82 T CA -0.499 61.626 62.100 0.041 0.000 1.033 82 T CB -0.036 68.900 68.868 0.113 0.000 0.995 82 T HN 0.574 nan 8.240 nan 0.000 0.536 83 N N 0.673 119.392 118.700 0.032 0.000 2.443 83 N HA -0.084 4.693 4.740 0.062 0.000 0.184 83 N C 1.418 176.947 175.510 0.033 0.000 1.037 83 N CA 0.654 53.715 53.050 0.019 0.000 0.896 83 N CB -0.153 38.353 38.487 0.031 0.000 0.959 83 N HN 0.580 nan 8.380 nan 0.000 0.442 84 Q N -0.453 119.380 119.800 0.056 0.000 2.280 84 Q HA 0.197 4.574 4.340 0.062 0.000 0.202 84 Q C 0.792 176.816 176.000 0.041 0.000 0.903 84 Q CA 0.054 55.886 55.803 0.048 0.000 0.948 84 Q CB 0.354 29.128 28.738 0.060 0.000 1.058 84 Q HN 0.404 nan 8.270 nan 0.000 0.493 85 G N 0.348 109.169 108.800 0.036 0.000 2.143 85 G HA2 -0.241 3.756 3.960 0.062 0.000 0.249 85 G HA3 -0.241 3.756 3.960 0.062 0.000 0.249 85 G C 0.110 175.038 174.900 0.046 0.000 0.981 85 G CA 0.167 45.284 45.100 0.028 0.000 0.665 85 G HN 0.238 nan 8.290 nan 0.000 0.528 86 V N 1.490 121.448 119.914 0.073 0.000 2.465 86 V HA 0.403 4.560 4.120 0.062 0.000 0.279 86 V C 1.250 177.385 176.094 0.068 0.000 1.045 86 V CA -0.650 61.705 62.300 0.092 0.000 0.938 86 V CB 1.234 33.161 31.823 0.174 0.000 0.986 86 V HN 0.403 nan 8.190 nan 0.000 0.467 87 R N 4.247 124.780 120.500 0.055 0.000 2.537 87 R HA 0.402 4.779 4.340 0.062 0.000 0.280 87 R C -0.578 175.736 176.300 0.025 0.000 1.058 87 R CA -0.101 56.021 56.100 0.037 0.000 1.057 87 R CB 0.571 30.892 30.300 0.035 0.000 0.973 87 R HN 0.569 nan 8.270 nan 0.000 0.438 88 I N 1.920 122.492 120.570 0.004 0.000 2.359 88 I HA 0.137 4.344 4.170 0.062 0.000 0.294 88 I C 0.912 177.019 176.117 -0.018 0.000 0.987 88 I CA 0.004 61.290 61.300 -0.024 0.000 1.225 88 I CB 1.920 39.896 38.000 -0.041 0.000 1.366 88 I HN 0.778 nan 8.210 nan 0.000 0.466 89 A N 3.983 126.789 122.820 -0.024 0.000 1.911 89 A HA 0.020 4.377 4.320 0.062 0.000 0.212 89 A C 0.630 178.198 177.584 -0.026 0.000 1.189 89 A CA 0.905 52.932 52.037 -0.018 0.000 0.639 89 A CB 0.054 19.047 19.000 -0.013 0.000 0.839 89 A HN 0.678 nan 8.150 nan 0.000 0.449 90 D N -0.588 119.788 120.400 -0.040 0.000 2.421 90 D HA 0.321 4.998 4.640 0.062 0.000 0.254 90 D C -1.336 174.931 176.300 -0.055 0.000 1.238 90 D CA -0.370 53.605 54.000 -0.042 0.000 0.919 90 D CB 1.127 41.903 40.800 -0.040 0.000 1.152 90 D HN 0.051 nan 8.370 nan 0.000 0.552 91 D N 2.004 122.375 120.400 -0.048 0.000 2.395 91 D HA 0.058 4.735 4.640 0.062 0.000 0.226 91 D C 0.568 176.836 176.300 -0.053 0.000 1.146 91 D CA 0.254 54.221 54.000 -0.055 0.000 0.830 91 D CB 0.486 41.259 40.800 -0.045 0.000 0.958 91 D HN 0.218 nan 8.370 nan 0.000 0.501 92 Q N -0.603 119.167 119.800 -0.050 0.000 2.246 92 Q HA 0.273 4.651 4.340 0.062 0.000 0.222 92 Q C -0.218 175.753 176.000 -0.050 0.000 0.851 92 Q CA 0.151 55.926 55.803 -0.047 0.000 0.945 92 Q CB 0.820 29.535 28.738 -0.038 0.000 1.122 92 Q HN 0.194 nan 8.270 nan 0.000 0.508 93 N N 0.014 118.682 118.700 -0.054 0.000 2.277 93 N HA 0.288 5.065 4.740 0.062 0.000 0.286 93 N C -1.024 174.450 175.510 -0.059 0.000 1.140 93 N CA -0.245 52.775 53.050 -0.050 0.000 0.799 93 N CB 2.109 40.572 38.487 -0.041 0.000 1.596 93 N HN -0.185 nan 8.380 nan 0.000 0.473 94 S N 0.825 116.494 115.700 -0.053 0.000 2.592 94 S HA 0.250 4.757 4.470 0.062 0.000 0.271 94 S C 0.210 174.783 174.600 -0.044 0.000 1.326 94 S CA -0.545 57.623 58.200 -0.052 0.000 1.024 94 S CB 0.691 63.866 63.200 -0.041 0.000 0.921 94 S HN 0.388 nan 8.310 nan 0.000 0.527 95 L N 3.703 124.900 121.223 -0.044 0.000 2.360 95 L HA 0.414 4.791 4.340 0.062 0.000 0.276 95 L C 0.109 176.970 176.870 -0.014 0.000 1.121 95 L CA 0.445 55.268 54.840 -0.028 0.000 0.845 95 L CB -0.049 41.995 42.059 -0.024 0.000 1.143 95 L HN 0.735 nan 8.230 nan 0.000 0.452 96 R N 4.138 124.632 120.500 -0.010 0.000 2.836 96 R HA 0.865 5.242 4.340 0.062 0.000 0.269 96 R C -1.233 175.066 176.300 -0.002 0.000 1.010 96 R CA -0.889 55.208 56.100 -0.006 0.000 0.930 96 R CB 1.130 31.424 30.300 -0.009 0.000 1.218 96 R HN 0.592 nan 8.270 nan 0.000 0.473 97 A N 1.359 124.179 122.820 0.001 0.000 2.506 97 A HA 0.599 4.956 4.320 0.062 0.000 0.320 97 A C 0.641 178.226 177.584 0.000 0.000 1.424 97 A CA 0.246 52.285 52.037 0.002 0.000 1.044 97 A CB -0.707 18.296 19.000 0.005 0.000 1.140 97 A HN 1.210 nan 8.150 nan 0.000 0.538 98 G N 1.502 110.301 108.800 -0.001 0.000 2.755 98 G HA2 -0.023 3.974 3.960 0.062 0.000 0.686 98 G HA3 -0.023 3.974 3.960 0.062 0.000 0.686 98 G C 0.764 175.661 174.900 -0.005 0.000 1.427 98 G CA 0.193 45.291 45.100 -0.003 0.000 0.873 98 G HN 1.959 nan 8.290 nan 0.000 0.580 99 S N -0.307 115.389 115.700 -0.007 0.000 2.555 99 S HA 0.038 4.546 4.470 0.062 0.000 0.230 99 S C 1.527 176.121 174.600 -0.010 0.000 0.978 99 S CA 1.328 59.522 58.200 -0.009 0.000 0.934 99 S CB 0.117 63.311 63.200 -0.010 0.000 0.766 99 S HN 0.739 nan 8.310 nan 0.000 0.533 100 R N 0.768 121.264 120.500 -0.008 0.000 2.613 100 R HA 0.335 4.712 4.340 0.062 0.000 0.361 100 R C 0.842 177.138 176.300 -0.006 0.000 1.072 100 R CA 0.032 56.127 56.100 -0.008 0.000 1.089 100 R CB 0.822 31.119 30.300 -0.007 0.000 1.343 100 R HN 0.452 nan 8.270 nan 0.000 0.571 101 G N 1.556 110.352 108.800 -0.006 0.000 2.568 101 G HA2 0.401 4.399 3.960 0.062 0.000 0.293 101 G HA3 0.401 4.399 3.960 0.062 0.000 0.293 101 G C -2.442 172.456 174.900 -0.004 0.000 1.347 101 G CA -1.061 44.037 45.100 -0.004 0.000 1.039 101 G HN -0.102 nan 8.290 nan 0.000 0.523 102 P HA 0.245 nan 4.420 nan 0.000 0.278 102 P C -0.223 177.077 177.300 -0.001 0.000 1.238 102 P CA -0.104 62.995 63.100 -0.001 0.000 0.794 102 P CB 0.980 32.681 31.700 0.002 0.000 0.955 103 T N 2.492 117.045 114.554 -0.002 0.000 2.919 103 T HA 0.264 4.651 4.350 0.062 0.000 0.302 103 T C 0.463 175.166 174.700 0.005 0.000 1.031 103 T CA -0.092 62.007 62.100 -0.003 0.000 1.127 103 T CB 0.007 68.871 68.868 -0.006 0.000 0.952 103 T HN 0.185 nan 8.240 nan 0.000 0.540 104 L N 3.432 124.660 121.223 0.009 0.000 2.325 104 L HA 0.347 4.724 4.340 0.062 0.000 0.279 104 L C 1.311 178.198 176.870 0.029 0.000 1.054 104 L CA -0.783 54.069 54.840 0.019 0.000 0.804 104 L CB 1.036 43.109 42.059 0.023 0.000 1.200 104 L HN 0.509 nan 8.230 nan 0.000 0.436 105 L N 2.197 123.441 121.223 0.035 0.000 2.201 105 L HA -0.159 4.218 4.340 0.062 0.000 0.212 105 L C 2.240 179.151 176.870 0.068 0.000 1.105 105 L CA 1.558 56.425 54.840 0.045 0.000 0.775 105 L CB -0.527 41.556 42.059 0.039 0.000 0.913 105 L HN 0.788 nan 8.230 nan 0.000 0.440 106 E N -1.530 118.715 120.200 0.075 0.000 2.516 106 E HA -0.163 4.224 4.350 0.062 0.000 0.199 106 E C 0.175 176.881 176.600 0.176 0.000 1.069 106 E CA 0.168 56.641 56.400 0.122 0.000 0.876 106 E CB -0.500 29.262 29.700 0.103 0.000 0.843 106 E HN 0.355 nan 8.360 nan 0.000 0.530 107 D N 1.186 121.641 120.400 0.092 0.000 2.455 107 D HA -0.048 4.629 4.640 0.062 0.000 0.234 107 D C 0.377 176.694 176.300 0.027 0.000 1.224 107 D CA -0.460 53.550 54.000 0.016 0.000 0.999 107 D CB -0.093 40.686 40.800 -0.036 0.000 1.072 107 D HN 0.305 nan 8.370 nan 0.000 0.514 108 F N 2.159 122.117 119.950 0.014 0.000 2.456 108 F HA 0.120 4.684 4.527 0.061 0.000 0.298 108 F C 1.633 177.446 175.800 0.021 0.000 1.104 108 F CA 0.027 58.039 58.000 0.020 0.000 1.435 108 F CB -0.647 38.364 39.000 0.019 0.000 1.078 108 F HN 0.183 nan 8.300 nan 0.000 0.546 109 I N 0.405 120.568 120.570 -0.677 0.000 2.202 109 I HA -0.204 4.003 4.170 0.062 0.000 0.242 109 I C 2.482 178.492 176.117 -0.178 0.000 1.091 109 I CA 1.061 62.092 61.300 -0.448 0.000 1.368 109 I CB -0.525 37.132 38.000 -0.571 0.000 1.058 109 I HN 0.270 nan 8.210 nan 0.000 0.410 110 L N 1.143 122.274 121.223 -0.155 0.000 1.989 110 L HA -0.205 4.172 4.340 0.062 0.000 0.211 110 L C 2.659 179.519 176.870 -0.016 0.000 1.071 110 L CA 1.890 56.686 54.840 -0.074 0.000 0.749 110 L CB -0.578 41.443 42.059 -0.063 0.000 0.890 110 L HN 0.051 nan 8.230 nan 0.000 0.431 111 R N -0.615 119.894 120.500 0.015 0.000 2.096 111 R HA -0.185 4.192 4.340 0.062 0.000 0.235 111 R C 2.322 178.677 176.300 0.092 0.000 1.127 111 R CA 1.576 57.715 56.100 0.064 0.000 0.968 111 R CB -0.415 29.938 30.300 0.088 0.000 0.861 111 R HN 0.588 nan 8.270 nan 0.000 0.440 112 E N 1.143 121.402 120.200 0.099 0.000 2.077 112 E HA -0.242 4.145 4.350 0.062 0.000 0.193 112 E C 1.943 178.621 176.600 0.129 0.000 0.989 112 E CA 1.272 57.748 56.400 0.127 0.000 0.800 112 E CB 0.107 29.886 29.700 0.131 0.000 0.746 112 E HN 0.159 nan 8.360 nan 0.000 0.452 113 K N 0.191 120.637 120.400 0.076 0.000 2.026 113 K HA -0.132 4.225 4.320 0.062 0.000 0.208 113 K C 2.090 178.764 176.600 0.123 0.000 1.048 113 K CA 1.265 57.595 56.287 0.072 0.000 0.929 113 K CB 0.003 32.502 32.500 -0.002 0.000 0.713 113 K HN 0.144 nan 8.250 nan 0.000 0.439 114 I N 1.287 121.910 120.570 0.088 0.000 2.439 114 I HA -0.156 4.051 4.170 0.062 0.000 0.251 114 I C 2.066 178.295 176.117 0.186 0.000 1.139 114 I CA 1.213 62.585 61.300 0.120 0.000 1.438 114 I CB -1.329 36.703 38.000 0.053 0.000 1.085 114 I HN 0.219 nan 8.210 nan 0.000 0.427 115 T N -0.255 114.398 114.554 0.166 0.000 2.720 115 T HA -0.228 4.159 4.350 0.062 0.000 0.268 115 T C 1.956 176.793 174.700 0.228 0.000 1.037 115 T CA 1.447 63.666 62.100 0.198 0.000 1.144 115 T CB -0.404 68.589 68.868 0.208 0.000 0.864 115 T HN 0.350 nan 8.240 nan 0.000 0.444 116 H N -0.175 118.990 119.070 0.158 0.000 2.357 116 H HA -0.033 4.560 4.556 0.062 0.000 0.301 116 H C 2.174 177.562 175.328 0.100 0.000 1.082 116 H CA 1.366 57.493 56.048 0.132 0.000 1.342 116 H CB -0.358 29.460 29.762 0.094 0.000 1.389 116 H HN 0.402 nan 8.280 nan 0.000 0.511 117 F N 2.041 122.049 119.950 0.098 0.000 2.134 117 F HA -0.183 4.382 4.527 0.063 0.000 0.299 117 F C 1.878 177.622 175.800 -0.093 0.000 1.097 117 F CA 1.617 59.625 58.000 0.013 0.000 1.264 117 F CB -0.294 38.707 39.000 0.001 0.000 1.001 117 F HN 0.041 nan 8.300 nan 0.000 0.479 118 D N -1.162 119.156 120.400 -0.136 0.000 2.309 118 D HA -0.124 4.553 4.640 0.062 0.000 0.212 118 D C 1.012 176.894 176.300 -0.697 0.000 0.968 118 D CA 1.140 54.888 54.000 -0.421 0.000 0.882 118 D CB -0.319 40.235 40.800 -0.409 0.000 0.918 118 D HN 0.485 nan 8.370 nan 0.000 0.503 119 H N -0.548 118.403 119.070 -0.198 0.000 2.549 119 H HA 0.227 4.821 4.556 0.063 0.000 0.253 119 H C 0.868 176.037 175.328 -0.265 0.000 1.170 119 H CA -0.123 55.807 56.048 -0.197 0.000 0.943 119 H CB 0.484 30.150 29.762 -0.160 0.000 1.849 119 H HN 0.239 nan 8.280 nan 0.000 0.603 120 E N 0.633 120.671 120.200 -0.269 0.000 2.150 120 E HA -0.036 4.351 4.350 0.062 0.000 0.193 120 E C 0.492 176.950 176.600 -0.237 0.000 0.985 120 E CA 0.566 56.784 56.400 -0.304 0.000 0.814 120 E CB 0.479 29.967 29.700 -0.353 0.000 0.752 120 E HN 0.146 nan 8.360 nan 0.000 0.466 121 R N 1.211 121.629 120.500 -0.137 0.000 2.404 121 R HA 0.360 4.737 4.340 0.062 0.000 0.291 121 R C 0.406 176.751 176.300 0.074 0.000 1.025 121 R CA -0.284 55.808 56.100 -0.014 0.000 0.991 121 R CB 0.781 31.060 30.300 -0.035 0.000 1.053 121 R HN 0.154 nan 8.270 nan 0.000 0.479 122 I N -0.892 119.787 120.570 0.182 0.000 2.910 122 I HA 0.606 4.813 4.170 0.062 0.000 0.310 122 I C -2.178 174.003 176.117 0.107 0.000 1.043 122 I CA -2.946 58.445 61.300 0.151 0.000 1.053 122 I CB 1.606 39.724 38.000 0.196 0.000 1.242 122 I HN 0.241 nan 8.210 nan 0.000 0.452 123 P HA 0.101 nan 4.420 nan 0.000 0.268 123 P C -0.947 176.384 177.300 0.051 0.000 1.205 123 P CA -0.121 63.008 63.100 0.049 0.000 0.771 123 P CB 0.434 32.153 31.700 0.031 0.000 0.858 124 E N 2.621 122.853 120.200 0.054 0.000 2.371 124 E HA 0.207 4.594 4.350 0.062 0.000 0.257 124 E C -0.462 176.164 176.600 0.044 0.000 1.134 124 E CA -0.853 55.583 56.400 0.060 0.000 0.919 124 E CB 0.634 30.375 29.700 0.069 0.000 1.025 124 E HN 0.254 nan 8.360 nan 0.000 0.438 125 R N 0.742 121.273 120.500 0.052 0.000 2.640 125 R HA -0.008 4.369 4.340 0.062 0.000 0.270 125 R C 1.268 177.602 176.300 0.057 0.000 1.024 125 R CA -0.417 55.711 56.100 0.047 0.000 1.085 125 R CB 0.266 30.613 30.300 0.078 0.000 0.963 125 R HN 0.573 nan 8.270 nan 0.000 0.426 126 I N 1.897 122.494 120.570 0.046 0.000 2.226 126 I HA -0.135 4.072 4.170 0.062 0.000 0.245 126 I C 1.190 177.359 176.117 0.086 0.000 1.100 126 I CA 1.488 62.824 61.300 0.060 0.000 1.374 126 I CB -1.047 36.992 38.000 0.064 0.000 1.057 126 I HN 0.389 nan 8.210 nan 0.000 0.413 127 V N -3.251 116.747 119.914 0.140 0.000 3.040 127 V HA 0.518 4.675 4.120 0.062 0.000 0.312 127 V C 0.384 176.648 176.094 0.283 0.000 1.115 127 V CA -0.854 61.557 62.300 0.184 0.000 0.998 127 V CB 1.798 33.803 31.823 0.303 0.000 1.042 127 V HN 0.430 nan 8.190 nan 0.000 0.433 128 H N 0.422 119.554 119.070 0.103 0.000 2.862 128 H HA -0.219 4.374 4.556 0.062 0.000 0.290 128 H C 1.557 176.931 175.328 0.076 0.000 1.211 128 H CA 0.755 56.857 56.048 0.090 0.000 1.140 128 H CB -1.226 28.577 29.762 0.069 0.000 1.341 128 H HN 1.173 nan 8.280 nan 0.000 0.392 129 A N 0.735 123.644 122.820 0.149 0.000 2.024 129 A HA -0.120 4.237 4.320 0.062 0.000 0.220 129 A C 1.689 179.363 177.584 0.149 0.000 1.164 129 A CA 1.411 53.525 52.037 0.128 0.000 0.643 129 A CB -0.095 18.961 19.000 0.092 0.000 0.806 129 A HN 0.278 nan 8.150 nan 0.000 0.451 130 R N 0.029 120.619 120.500 0.150 0.000 2.207 130 R HA 0.525 4.902 4.340 0.062 0.000 0.334 130 R C -0.154 176.273 176.300 0.211 0.000 1.013 130 R CA 0.683 56.891 56.100 0.179 0.000 0.858 130 R CB 0.420 30.813 30.300 0.156 0.000 1.094 130 R HN 0.322 nan 8.270 nan 0.000 0.457 131 G N 0.759 109.709 108.800 0.249 0.000 2.673 131 G HA2 0.515 4.512 3.960 0.062 0.000 0.292 131 G HA3 0.515 4.512 3.960 0.062 0.000 0.292 131 G C -1.628 173.423 174.900 0.252 0.000 1.450 131 G CA -0.579 44.631 45.100 0.183 0.000 0.837 131 G HN 0.490 nan 8.290 nan 0.000 0.505 132 S N -1.054 114.730 115.700 0.140 0.000 2.547 132 S HA 0.886 5.393 4.470 0.062 0.000 0.281 132 S C -0.183 174.413 174.600 -0.006 0.000 1.118 132 S CA -0.073 58.264 58.200 0.228 0.000 0.947 132 S CB 1.706 65.160 63.200 0.424 0.000 1.053 132 S HN 1.618 nan 8.310 nan 0.000 0.482 133 A N 1.628 124.400 122.820 -0.079 0.000 2.527 133 A HA 1.040 5.397 4.320 0.062 0.000 0.293 133 A C -1.027 176.340 177.584 -0.362 0.000 1.117 133 A CA -0.694 51.082 52.037 -0.435 0.000 0.723 133 A CB 1.625 20.204 19.000 -0.701 0.000 1.313 133 A HN 1.370 nan 8.150 nan 0.000 0.411 134 A N 0.335 122.783 122.820 -0.619 0.000 2.606 134 A HA 0.717 5.074 4.320 0.062 0.000 0.293 134 A C -1.056 176.317 177.584 -0.353 0.000 1.082 134 A CA -0.649 51.190 52.037 -0.330 0.000 0.685 134 A CB 0.722 19.630 19.000 -0.155 0.000 1.284 134 A HN 0.876 nan 8.150 nan 0.000 0.408 135 H N -0.352 118.741 119.070 0.038 0.000 2.505 135 H HA 0.696 5.289 4.556 0.062 0.000 0.355 135 H C 0.690 176.015 175.328 -0.005 0.000 1.179 135 H CA 0.981 57.105 56.048 0.126 0.000 1.343 135 H CB 1.773 31.605 29.762 0.117 0.000 1.501 135 H HN 1.200 nan 8.280 nan 0.000 0.569 136 G N 0.230 109.132 108.800 0.169 0.000 2.435 136 G HA2 0.319 4.317 3.960 0.062 0.000 0.296 136 G HA3 0.319 4.317 3.960 0.062 0.000 0.296 136 G C -2.073 172.950 174.900 0.205 0.000 1.240 136 G CA -0.574 44.581 45.100 0.092 0.000 0.872 136 G HN 0.636 nan 8.290 nan 0.000 0.480 137 Y N -1.687 118.654 120.300 0.068 0.000 2.597 137 Y HA 0.851 5.438 4.550 0.061 0.000 0.340 137 Y C -1.666 174.379 175.900 0.241 0.000 1.097 137 Y CA -1.958 56.228 58.100 0.144 0.000 1.037 137 Y CB 1.964 40.480 38.460 0.094 0.000 1.305 137 Y HN 0.891 nan 8.280 nan 0.000 0.463 138 F N 2.933 123.031 119.950 0.248 0.000 2.576 138 F HA 0.661 5.226 4.527 0.063 0.000 0.313 138 F C -1.511 174.492 175.800 0.338 0.000 1.078 138 F CA -0.532 57.622 58.000 0.257 0.000 0.921 138 F CB 2.175 41.450 39.000 0.459 0.000 1.232 138 F HN 0.799 nan 8.300 nan 0.000 0.459 139 Q N 5.533 124.850 119.800 -0.805 0.000 2.377 139 Q HA 0.600 4.977 4.340 0.062 0.000 0.279 139 Q C -3.306 172.034 176.000 -1.101 0.000 1.049 139 Q CA -2.325 53.072 55.803 -0.676 0.000 0.825 139 Q CB 2.844 31.492 28.738 -0.151 0.000 1.401 139 Q HN 0.338 nan 8.270 nan 0.000 0.404 140 P HA 0.084 nan 4.420 nan 0.000 0.276 140 P C -0.383 176.755 177.300 -0.270 0.000 1.244 140 P CA -0.232 62.598 63.100 -0.450 0.000 0.801 140 P CB 0.780 32.387 31.700 -0.154 0.000 1.006 141 Y N 0.705 120.942 120.300 -0.104 0.000 2.263 141 Y HA -0.063 4.525 4.550 0.063 0.000 0.292 141 Y C 1.504 177.376 175.900 -0.047 0.000 1.130 141 Y CA 0.587 58.650 58.100 -0.062 0.000 1.179 141 Y CB 0.219 38.651 38.460 -0.047 0.000 0.998 141 Y HN 0.367 nan 8.280 nan 0.000 0.532 142 K N -1.021 119.435 120.400 0.093 0.000 2.555 142 K HA 0.399 4.756 4.320 0.062 0.000 0.279 142 K C -0.907 175.695 176.600 0.003 0.000 0.986 142 K CA -0.932 55.382 56.287 0.046 0.000 0.880 142 K CB 1.631 34.160 32.500 0.049 0.000 1.474 142 K HN -0.241 nan 8.250 nan 0.000 0.433 143 S N 0.973 116.672 115.700 -0.001 0.000 2.549 143 S HA 0.132 4.639 4.470 0.062 0.000 0.286 143 S C 0.368 174.955 174.600 -0.022 0.000 1.314 143 S CA -0.564 57.625 58.200 -0.018 0.000 1.062 143 S CB -0.142 63.052 63.200 -0.009 0.000 0.865 143 S HN 0.552 nan 8.310 nan 0.000 0.498 144 L N 4.691 125.890 121.223 -0.040 0.000 2.984 144 L HA 0.152 4.529 4.340 0.062 0.000 0.246 144 L C 1.831 178.685 176.870 -0.027 0.000 1.268 144 L CA -0.137 54.688 54.840 -0.026 0.000 1.054 144 L CB -0.133 41.913 42.059 -0.022 0.000 1.393 144 L HN 0.843 nan 8.230 nan 0.000 0.532 145 S N -2.235 113.448 115.700 -0.029 0.000 2.474 145 S HA -0.145 4.362 4.470 0.062 0.000 0.235 145 S C 1.239 175.823 174.600 -0.027 0.000 0.997 145 S CA 0.743 58.924 58.200 -0.031 0.000 0.949 145 S CB -0.109 63.077 63.200 -0.023 0.000 0.766 145 S HN 0.386 nan 8.310 nan 0.000 0.517 146 D N 2.085 122.475 120.400 -0.018 0.000 2.264 146 D HA 0.012 4.689 4.640 0.062 0.000 0.208 146 D C 1.777 178.063 176.300 -0.024 0.000 0.966 146 D CA 1.312 55.302 54.000 -0.016 0.000 0.864 146 D CB -0.146 40.650 40.800 -0.007 0.000 0.933 146 D HN 0.792 nan 8.370 nan 0.000 0.499 147 I N -4.370 116.186 120.570 -0.022 0.000 4.312 147 I HA 0.222 4.430 4.170 0.062 0.000 0.324 147 I C 0.452 176.532 176.117 -0.062 0.000 1.298 147 I CA -0.026 61.254 61.300 -0.034 0.000 1.231 147 I CB 1.225 39.227 38.000 0.004 0.000 1.152 147 I HN -0.253 nan 8.210 nan 0.000 0.421 148 T N 1.623 116.142 114.554 -0.057 0.000 2.982 148 T HA 0.327 4.714 4.350 0.062 0.000 0.321 148 T C -0.112 174.536 174.700 -0.085 0.000 1.229 148 T CA -0.685 61.361 62.100 -0.089 0.000 1.044 148 T CB 1.812 70.617 68.868 -0.105 0.000 1.184 148 T HN 0.422 nan 8.240 nan 0.000 0.477 149 K N 2.409 122.757 120.400 -0.087 0.000 2.417 149 K HA 0.571 4.928 4.320 0.062 0.000 0.196 149 K C 0.737 177.299 176.600 -0.063 0.000 1.023 149 K CA -0.348 55.899 56.287 -0.066 0.000 1.122 149 K CB 0.265 32.733 32.500 -0.054 0.000 0.850 149 K HN 0.499 nan 8.250 nan 0.000 0.521 150 A N 2.124 124.883 122.820 -0.102 0.000 2.548 150 A HA -0.057 4.301 4.320 0.062 0.000 0.247 150 A C 0.563 178.102 177.584 -0.074 0.000 1.067 150 A CA 0.095 52.083 52.037 -0.083 0.000 0.757 150 A CB 0.127 19.010 19.000 -0.195 0.000 0.996 150 A HN 0.447 nan 8.150 nan 0.000 0.504 151 D N 2.010 122.445 120.400 0.058 0.000 2.117 151 D HA -0.223 4.454 4.640 0.062 0.000 0.197 151 D C 1.342 177.712 176.300 0.116 0.000 0.987 151 D CA 2.240 56.291 54.000 0.084 0.000 0.829 151 D CB -0.235 40.642 40.800 0.128 0.000 0.961 151 D HN 0.725 nan 8.370 nan 0.000 0.460 152 F N -0.679 119.296 119.950 0.042 0.000 2.641 152 F HA 0.180 4.744 4.527 0.063 0.000 0.298 152 F C 0.993 176.888 175.800 0.158 0.000 1.146 152 F CA 0.353 58.422 58.000 0.114 0.000 1.464 152 F CB -0.198 38.866 39.000 0.105 0.000 1.101 152 F HN -0.049 nan 8.300 nan 0.000 0.585 153 L N 0.674 121.588 121.223 -0.516 0.000 2.857 153 L HA 0.191 4.568 4.340 0.062 0.000 0.249 153 L C 1.838 178.609 176.870 -0.166 0.000 1.172 153 L CA 0.364 54.963 54.840 -0.401 0.000 0.980 153 L CB -0.006 41.703 42.059 -0.584 0.000 1.299 153 L HN 0.337 nan 8.230 nan 0.000 0.535 154 S N -2.646 113.002 115.700 -0.087 0.000 2.503 154 S HA 0.062 4.569 4.470 0.062 0.000 0.217 154 S C 0.401 174.994 174.600 -0.012 0.000 0.999 154 S CA -0.152 58.023 58.200 -0.042 0.000 0.914 154 S CB 0.259 63.448 63.200 -0.018 0.000 0.782 154 S HN 0.303 nan 8.310 nan 0.000 0.520 155 D N 0.961 121.363 120.400 0.002 0.000 2.890 155 D HA 0.339 5.016 4.640 0.062 0.000 0.233 155 D C -2.563 173.745 176.300 0.013 0.000 1.306 155 D CA -1.924 52.085 54.000 0.015 0.000 0.929 155 D CB 2.268 43.087 40.800 0.031 0.000 1.512 155 D HN -0.138 nan 8.370 nan 0.000 0.568 156 P HA 0.001 nan 4.420 nan 0.000 0.234 156 P C 0.222 177.531 177.300 0.016 0.000 1.167 156 P CA 0.499 63.603 63.100 0.007 0.000 0.763 156 P CB 0.446 32.164 31.700 0.031 0.000 0.835 157 N N -0.424 118.292 118.700 0.027 0.000 2.204 157 N HA 0.088 4.866 4.740 0.062 0.000 0.219 157 N C 0.205 175.742 175.510 0.045 0.000 1.151 157 N CA 0.027 53.097 53.050 0.032 0.000 0.867 157 N CB 0.771 39.274 38.487 0.027 0.000 1.043 157 N HN 0.211 nan 8.380 nan 0.000 0.516 158 K N 1.412 121.849 120.400 0.061 0.000 2.263 158 K HA 0.412 4.769 4.320 0.062 0.000 0.272 158 K C -0.242 176.444 176.600 0.144 0.000 1.033 158 K CA -0.337 56.007 56.287 0.095 0.000 0.884 158 K CB 1.683 34.244 32.500 0.101 0.000 1.107 158 K HN -0.036 nan 8.250 nan 0.000 0.460 159 I N 2.597 123.253 120.570 0.143 0.000 2.365 159 I HA 0.129 4.336 4.170 0.062 0.000 0.291 159 I C 0.136 176.418 176.117 0.275 0.000 1.004 159 I CA -0.245 61.175 61.300 0.201 0.000 1.311 159 I CB 1.672 39.738 38.000 0.109 0.000 1.401 159 I HN 0.415 nan 8.210 nan 0.000 0.491 160 T N 7.401 122.207 114.554 0.420 0.000 2.770 160 T HA 0.349 4.737 4.350 0.062 0.000 0.283 160 T C -2.447 172.515 174.700 0.438 0.000 0.988 160 T CA -1.378 60.994 62.100 0.454 0.000 0.957 160 T CB 1.581 70.836 68.868 0.645 0.000 0.930 160 T HN 0.268 nan 8.240 nan 0.000 0.443 161 P HA 0.281 nan 4.420 nan 0.000 0.269 161 P C -0.692 176.854 177.300 0.410 0.000 1.215 161 P CA -0.445 62.858 63.100 0.337 0.000 0.780 161 P CB 0.535 32.353 31.700 0.197 0.000 0.898 162 V N -0.600 119.499 119.914 0.307 0.000 3.078 162 V HA 0.742 4.899 4.120 0.062 0.000 0.311 162 V C -1.437 174.820 176.094 0.271 0.000 1.138 162 V CA -0.951 61.436 62.300 0.145 0.000 1.007 162 V CB 2.245 33.936 31.823 -0.220 0.000 1.045 162 V HN 0.332 nan 8.190 nan 0.000 0.432 163 F N 2.170 122.115 119.950 -0.009 0.000 2.536 163 F HA 0.842 5.405 4.527 0.061 0.000 0.322 163 F C -0.881 174.817 175.800 -0.170 0.000 1.144 163 F CA -0.732 57.194 58.000 -0.124 0.000 0.924 163 F CB 1.971 40.928 39.000 -0.072 0.000 1.181 163 F HN 0.536 nan 8.300 nan 0.000 0.438 164 V N 6.679 126.118 119.914 -0.792 0.000 2.495 164 V HA 0.576 4.733 4.120 0.062 0.000 0.298 164 V C -0.650 174.752 176.094 -1.153 0.000 1.031 164 V CA -0.809 60.950 62.300 -0.901 0.000 0.871 164 V CB 1.959 33.192 31.823 -0.984 0.000 0.988 164 V HN 0.735 nan 8.190 nan 0.000 0.432 165 R N 3.472 123.293 120.500 -1.133 0.000 2.480 165 R HA 0.640 5.017 4.340 0.062 0.000 0.306 165 R C -1.633 174.023 176.300 -1.072 0.000 0.958 165 R CA -0.425 55.106 56.100 -0.948 0.000 0.861 165 R CB 1.241 31.149 30.300 -0.652 0.000 1.171 165 R HN 0.546 nan 8.270 nan 0.000 0.445 166 F N 1.676 121.199 119.950 -0.712 0.000 2.432 166 F HA 0.551 5.116 4.527 0.063 0.000 0.329 166 F C 0.409 175.846 175.800 -0.605 0.000 1.076 166 F CA -0.257 57.215 58.000 -0.880 0.000 1.018 166 F CB 2.192 40.168 39.000 -1.706 0.000 1.201 166 F HN 0.595 nan 8.300 nan 0.000 0.489 167 S N -1.213 114.405 115.700 -0.136 0.000 2.615 167 S HA 0.635 5.142 4.470 0.062 0.000 0.269 167 S C -0.597 174.148 174.600 0.243 0.000 1.161 167 S CA -0.893 57.379 58.200 0.120 0.000 0.817 167 S CB 1.331 64.651 63.200 0.200 0.000 1.131 167 S HN 0.735 nan 8.310 nan 0.000 0.467 168 T N -1.437 113.257 114.554 0.234 0.000 2.891 168 T HA 0.686 5.073 4.350 0.062 0.000 0.294 168 T C 0.812 175.487 174.700 -0.042 0.000 1.065 168 T CA -0.102 62.094 62.100 0.161 0.000 0.936 168 T CB 0.280 69.244 68.868 0.160 0.000 1.415 168 T HN 0.605 nan 8.240 nan 0.000 0.572 169 V N -0.103 119.742 119.914 -0.115 0.000 2.950 169 V HA 0.131 4.288 4.120 0.062 0.000 0.231 169 V C 2.703 178.724 176.094 -0.122 0.000 1.205 169 V CA 0.332 62.433 62.300 -0.332 0.000 1.239 169 V CB -0.265 31.436 31.823 -0.204 0.000 1.050 169 V HN 0.865 nan 8.190 nan 0.000 0.498 170 Q N 1.062 120.830 119.800 -0.053 0.000 2.123 170 Q HA 0.090 4.467 4.340 0.062 0.000 0.196 170 Q C 1.224 177.205 176.000 -0.031 0.000 0.958 170 Q CA 1.299 57.070 55.803 -0.053 0.000 0.841 170 Q CB -0.063 28.632 28.738 -0.071 0.000 0.915 170 Q HN 0.581 nan 8.270 nan 0.000 0.455 171 G N -0.204 108.592 108.800 -0.007 0.000 2.572 171 G HA2 0.429 4.426 3.960 0.062 0.000 0.261 171 G HA3 0.429 4.426 3.960 0.062 0.000 0.261 171 G C 0.071 174.981 174.900 0.017 0.000 1.197 171 G CA 0.038 45.137 45.100 -0.001 0.000 0.870 171 G HN 0.318 nan 8.290 nan 0.000 0.548 172 G N -1.285 107.521 108.800 0.010 0.000 2.621 172 G HA2 0.480 4.477 3.960 0.062 0.000 0.271 172 G HA3 0.480 4.477 3.960 0.062 0.000 0.271 172 G C 1.326 176.257 174.900 0.052 0.000 1.236 172 G CA 0.446 45.561 45.100 0.025 0.000 0.958 172 G HN 1.056 nan 8.290 nan 0.000 0.512 173 A N -0.703 122.157 122.820 0.068 0.000 2.024 173 A HA 0.103 4.461 4.320 0.062 0.000 0.220 173 A C 2.180 179.804 177.584 0.067 0.000 1.164 173 A CA 2.022 54.118 52.037 0.098 0.000 0.643 173 A CB -0.395 18.681 19.000 0.127 0.000 0.806 173 A HN 1.148 nan 8.150 nan 0.000 0.451 174 G N -0.265 108.555 108.800 0.033 0.000 3.434 174 G HA2 0.352 4.349 3.960 0.062 0.000 0.258 174 G HA3 0.352 4.349 3.960 0.062 0.000 0.258 174 G C 0.646 175.549 174.900 0.006 0.000 1.128 174 G CA 0.657 45.763 45.100 0.009 0.000 0.792 174 G HN 0.662 nan 8.290 nan 0.000 0.539 175 S N -0.209 115.503 115.700 0.020 0.000 2.661 175 S HA 0.760 5.267 4.470 0.062 0.000 0.265 175 S C 0.518 175.134 174.600 0.027 0.000 1.225 175 S CA -0.066 58.142 58.200 0.013 0.000 0.986 175 S CB 1.546 64.756 63.200 0.016 0.000 1.008 175 S HN 0.554 nan 8.310 nan 0.000 0.565 176 A N 0.056 122.888 122.820 0.019 0.000 2.304 176 A HA 0.446 4.804 4.320 0.062 0.000 0.271 176 A C 0.558 178.167 177.584 0.042 0.000 1.091 176 A CA -0.542 51.504 52.037 0.015 0.000 0.812 176 A CB -0.088 18.902 19.000 -0.017 0.000 1.056 176 A HN 0.865 nan 8.150 nan 0.000 0.489 177 D N 0.134 120.546 120.400 0.021 0.000 2.162 177 D HA -0.042 4.635 4.640 0.062 0.000 0.205 177 D C 1.546 177.823 176.300 -0.038 0.000 0.964 177 D CA 2.178 56.204 54.000 0.043 0.000 0.847 177 D CB -0.191 40.593 40.800 -0.028 0.000 0.988 177 D HN 0.664 nan 8.370 nan 0.000 0.480 178 T N -0.062 114.391 114.554 -0.167 0.000 3.332 178 T HA 0.294 4.681 4.350 0.062 0.000 0.246 178 T C 0.842 175.527 174.700 -0.025 0.000 0.943 178 T CA -0.573 61.417 62.100 -0.182 0.000 0.922 178 T CB -0.925 67.755 68.868 -0.313 0.000 1.086 178 T HN -0.084 nan 8.240 nan 0.000 0.590 179 V N -1.237 118.715 119.914 0.063 0.000 3.319 179 V HA 0.425 4.582 4.120 0.062 0.000 0.303 179 V C 0.714 176.953 176.094 0.241 0.000 1.094 179 V CA -1.388 61.002 62.300 0.150 0.000 1.106 179 V CB 0.376 32.275 31.823 0.127 0.000 1.099 179 V HN 0.559 nan 8.190 nan 0.000 0.476 180 R N 1.553 122.254 120.500 0.335 0.000 2.216 180 R HA 0.471 4.848 4.340 0.062 0.000 0.332 180 R C -0.978 175.404 176.300 0.137 0.000 1.056 180 R CA -0.071 56.172 56.100 0.237 0.000 0.901 180 R CB 0.170 30.541 30.300 0.119 0.000 1.039 180 R HN 1.063 nan 8.270 nan 0.000 0.456 181 D N 3.214 123.706 120.400 0.154 0.000 2.710 181 D HA 0.194 4.871 4.640 0.062 0.000 0.276 181 D C -0.758 175.656 176.300 0.190 0.000 1.267 181 D CA -0.609 53.472 54.000 0.135 0.000 0.772 181 D CB 1.205 42.075 40.800 0.117 0.000 1.299 181 D HN 0.221 nan 8.370 nan 0.000 0.421 182 I N 1.434 122.132 120.570 0.214 0.000 2.720 182 I HA 0.270 4.477 4.170 0.062 0.000 0.287 182 I C 0.780 177.035 176.117 0.229 0.000 1.090 182 I CA -0.164 61.275 61.300 0.230 0.000 1.384 182 I CB 0.150 38.316 38.000 0.277 0.000 1.420 182 I HN 0.234 nan 8.210 nan 0.000 0.575 183 R N 3.190 123.848 120.500 0.263 0.000 2.589 183 R HA 0.569 4.946 4.340 0.062 0.000 0.293 183 R C 0.032 176.524 176.300 0.318 0.000 0.963 183 R CA -0.721 55.553 56.100 0.291 0.000 0.905 183 R CB 1.391 31.887 30.300 0.326 0.000 1.144 183 R HN 0.806 nan 8.270 nan 0.000 0.459 184 G N 0.924 109.933 108.800 0.349 0.000 2.476 184 G HA2 0.491 4.488 3.960 0.062 0.000 0.286 184 G HA3 0.491 4.488 3.960 0.062 0.000 0.286 184 G C -1.271 173.711 174.900 0.137 0.000 1.177 184 G CA -0.066 45.205 45.100 0.285 0.000 0.870 184 G HN 0.368 nan 8.290 nan 0.000 0.528 185 F N 1.334 121.179 119.950 -0.176 0.000 3.164 185 F HA 0.629 5.193 4.527 0.061 0.000 0.375 185 F C -0.413 175.091 175.800 -0.494 0.000 1.257 185 F CA -1.882 55.910 58.000 -0.346 0.000 1.171 185 F CB 0.971 39.901 39.000 -0.118 0.000 1.588 185 F HN 0.678 nan 8.300 nan 0.000 0.604 186 A N 3.503 126.054 122.820 -0.447 0.000 2.318 186 A HA 0.771 5.128 4.320 0.062 0.000 0.317 186 A C -0.654 176.496 177.584 -0.723 0.000 1.159 186 A CA -0.470 51.147 52.037 -0.699 0.000 0.799 186 A CB 0.866 19.079 19.000 -1.311 0.000 1.194 186 A HN 0.531 nan 8.150 nan 0.000 0.479 187 T N 2.383 116.677 114.554 -0.432 0.000 2.786 187 T HA 0.374 4.761 4.350 0.062 0.000 0.283 187 T C -0.251 174.254 174.700 -0.325 0.000 0.992 187 T CA -0.438 61.402 62.100 -0.433 0.000 0.954 187 T CB 0.996 69.524 68.868 -0.566 0.000 0.934 187 T HN 0.631 nan 8.240 nan 0.000 0.440 188 K N 3.599 123.894 120.400 -0.175 0.000 2.253 188 K HA 0.421 4.778 4.320 0.062 0.000 0.277 188 K C -1.245 175.017 176.600 -0.563 0.000 1.053 188 K CA -0.551 55.533 56.287 -0.338 0.000 0.892 188 K CB 0.281 32.526 32.500 -0.425 0.000 1.102 188 K HN 0.382 nan 8.250 nan 0.000 0.469 189 F N 4.222 123.870 119.950 -0.504 0.000 2.405 189 F HA 0.237 4.800 4.527 0.060 0.000 0.355 189 F C -0.416 175.169 175.800 -0.359 0.000 1.121 189 F CA -0.572 57.207 58.000 -0.369 0.000 1.112 189 F CB 0.741 39.430 39.000 -0.518 0.000 1.126 189 F HN 0.437 nan 8.300 nan 0.000 0.481 190 Y N 1.882 122.245 120.300 0.105 0.000 2.691 190 Y HA 0.238 4.825 4.550 0.062 0.000 0.338 190 Y C 0.978 176.939 175.900 0.102 0.000 1.148 190 Y CA -0.830 57.312 58.100 0.071 0.000 1.430 190 Y CB -0.069 38.422 38.460 0.051 0.000 1.303 190 Y HN 0.555 nan 8.280 nan 0.000 0.499 191 T N -2.460 112.193 114.554 0.165 0.000 2.881 191 T HA 0.198 4.585 4.350 0.062 0.000 0.278 191 T C 0.992 175.791 174.700 0.163 0.000 0.982 191 T CA -0.727 61.478 62.100 0.176 0.000 0.989 191 T CB 1.137 70.081 68.868 0.127 0.000 1.058 191 T HN 0.630 nan 8.240 nan 0.000 0.529 192 E N -0.032 120.269 120.200 0.168 0.000 2.418 192 E HA -0.045 4.342 4.350 0.062 0.000 0.197 192 E C 1.029 177.699 176.600 0.117 0.000 1.026 192 E CA 0.713 57.193 56.400 0.134 0.000 0.862 192 E CB 0.119 29.893 29.700 0.123 0.000 0.799 192 E HN 0.725 nan 8.360 nan 0.000 0.518 193 E N 0.193 120.466 120.200 0.122 0.000 2.569 193 E HA 0.252 4.639 4.350 0.062 0.000 0.205 193 E C 0.106 176.760 176.600 0.089 0.000 1.006 193 E CA -0.237 56.227 56.400 0.106 0.000 0.985 193 E CB 1.197 30.963 29.700 0.110 0.000 1.060 193 E HN 0.188 nan 8.360 nan 0.000 0.460 194 G N 1.079 109.928 108.800 0.080 0.000 2.392 194 G HA2 -0.122 3.875 3.960 0.062 0.000 0.677 194 G HA3 -0.122 3.875 3.960 0.062 0.000 0.677 194 G C -0.877 174.034 174.900 0.019 0.000 1.334 194 G CA -1.123 44.002 45.100 0.041 0.000 0.961 194 G HN 0.027 nan 8.290 nan 0.000 0.616 195 I N 0.648 121.193 120.570 -0.041 0.000 2.556 195 I HA 0.373 4.580 4.170 0.062 0.000 0.284 195 I C 0.094 176.215 176.117 0.007 0.000 1.114 195 I CA 0.053 61.298 61.300 -0.091 0.000 1.418 195 I CB 0.727 38.603 38.000 -0.207 0.000 1.394 195 I HN 0.467 nan 8.210 nan 0.000 0.552 196 F N 6.734 126.569 119.950 -0.192 0.000 2.449 196 F HA 0.440 5.002 4.527 0.060 0.000 0.342 196 F C -0.542 175.211 175.800 -0.079 0.000 1.127 196 F CA -1.214 56.669 58.000 -0.196 0.000 0.975 196 F CB 0.769 39.473 39.000 -0.493 0.000 1.146 196 F HN 0.345 nan 8.300 nan 0.000 0.444 197 D N 7.013 127.223 120.400 -0.316 0.000 2.280 197 D HA 0.248 4.925 4.640 0.062 0.000 0.236 197 D C -0.651 175.175 176.300 -0.791 0.000 1.082 197 D CA 0.025 53.770 54.000 -0.425 0.000 0.834 197 D CB 2.277 43.017 40.800 -0.099 0.000 1.100 197 D HN 0.632 nan 8.370 nan 0.000 0.486 198 L N 3.086 123.802 121.223 -0.845 0.000 2.264 198 L HA 0.308 4.685 4.340 0.062 0.000 0.287 198 L C -0.994 175.644 176.870 -0.387 0.000 1.039 198 L CA -0.633 53.781 54.840 -0.710 0.000 0.829 198 L CB 0.790 42.438 42.059 -0.685 0.000 1.211 198 L HN 0.053 nan 8.230 nan 0.000 0.427 199 V N 5.622 125.349 119.914 -0.312 0.000 2.239 199 V HA 0.472 4.629 4.120 0.062 0.000 0.267 199 V C 0.794 176.785 176.094 -0.172 0.000 1.056 199 V CA -0.349 61.783 62.300 -0.280 0.000 0.830 199 V CB 0.554 32.171 31.823 -0.344 0.000 1.090 199 V HN 0.835 nan 8.190 nan 0.000 0.459 200 G N 2.802 111.517 108.800 -0.141 0.000 2.601 200 G HA2 0.669 4.667 3.960 0.062 0.000 0.317 200 G HA3 0.669 4.667 3.960 0.062 0.000 0.317 200 G C -0.778 174.144 174.900 0.037 0.000 1.246 200 G CA -0.530 44.542 45.100 -0.046 0.000 1.012 200 G HN 0.475 nan 8.290 nan 0.000 0.494 201 N N -1.227 117.541 118.700 0.113 0.000 3.038 201 N HA 0.241 5.018 4.740 0.062 0.000 0.307 201 N C 0.229 175.913 175.510 0.290 0.000 1.441 201 N CA -0.735 52.440 53.050 0.209 0.000 0.772 201 N CB 1.341 39.940 38.487 0.186 0.000 1.651 201 N HN 0.519 nan 8.380 nan 0.000 0.593 202 N N -1.233 117.656 118.700 0.315 0.000 2.276 202 N HA 0.013 4.790 4.740 0.062 0.000 0.212 202 N C -0.562 175.198 175.510 0.417 0.000 1.127 202 N CA -0.122 53.170 53.050 0.404 0.000 0.834 202 N CB -0.157 38.548 38.487 0.362 0.000 1.014 202 N HN 0.538 nan 8.380 nan 0.000 0.491 203 T N -3.604 111.011 114.554 0.101 0.000 2.906 203 T HA 0.462 4.849 4.350 0.062 0.000 0.295 203 T C -2.696 171.398 174.700 -1.010 0.000 1.061 203 T CA -1.575 60.141 62.100 -0.640 0.000 1.000 203 T CB 2.955 71.335 68.868 -0.813 0.000 1.103 203 T HN -0.223 nan 8.240 nan 0.000 0.486 204 P HA 0.226 nan 4.420 nan 0.000 0.253 204 P C 0.248 177.040 177.300 -0.847 0.000 1.260 204 P CA -0.013 62.212 63.100 -1.458 0.000 0.800 204 P CB -0.166 30.608 31.700 -1.544 0.000 1.162 205 I N -4.582 115.468 120.570 -0.867 0.000 3.354 205 I HA 0.550 4.757 4.170 0.062 0.000 0.316 205 I C -1.474 174.365 176.117 -0.463 0.000 1.182 205 I CA -1.915 59.020 61.300 -0.609 0.000 0.942 205 I CB 1.405 38.992 38.000 -0.689 0.000 1.299 205 I HN -0.232 nan 8.210 nan 0.000 0.473 206 F N 0.198 119.857 119.950 -0.485 0.000 2.661 206 F HA 0.529 5.094 4.527 0.064 0.000 0.347 206 F C 0.297 175.829 175.800 -0.447 0.000 1.086 206 F CA -0.744 56.996 58.000 -0.433 0.000 1.016 206 F CB 1.968 40.856 39.000 -0.187 0.000 1.368 206 F HN 0.372 nan 8.300 nan 0.000 0.505 207 F N 1.991 121.112 119.950 -1.380 0.000 2.325 207 F HA 0.076 4.639 4.527 0.061 0.000 0.299 207 F C 0.644 176.133 175.800 -0.519 0.000 1.090 207 F CA 0.800 58.188 58.000 -1.020 0.000 1.392 207 F CB -0.020 37.934 39.000 -1.744 0.000 1.053 207 F HN 0.141 nan 8.300 nan 0.000 0.521 208 I N -3.519 117.010 120.570 -0.068 0.000 3.042 208 I HA 0.375 4.582 4.170 0.062 0.000 0.310 208 I C 0.313 176.586 176.117 0.261 0.000 1.117 208 I CA -0.830 60.569 61.300 0.164 0.000 1.003 208 I CB 1.931 40.099 38.000 0.280 0.000 1.228 208 I HN -0.178 nan 8.210 nan 0.000 0.443 209 Q N 0.217 120.168 119.800 0.252 0.000 2.324 209 Q HA 0.154 4.531 4.340 0.062 0.000 0.207 209 Q C -0.368 175.808 176.000 0.293 0.000 0.928 209 Q CA 0.543 56.531 55.803 0.308 0.000 0.890 209 Q CB 0.568 29.547 28.738 0.403 0.000 1.001 209 Q HN 0.647 nan 8.270 nan 0.000 0.517 210 D N -1.034 119.511 120.400 0.242 0.000 2.505 210 D HA 0.305 4.982 4.640 0.062 0.000 0.249 210 D C -0.034 176.392 176.300 0.210 0.000 1.082 210 D CA -0.235 53.877 54.000 0.186 0.000 0.839 210 D CB 1.862 42.744 40.800 0.136 0.000 1.317 210 D HN 0.056 nan 8.370 nan 0.000 0.497 211 A N 3.406 126.318 122.820 0.153 0.000 2.076 211 A HA -0.232 4.125 4.320 0.062 0.000 0.220 211 A C 1.762 179.462 177.584 0.193 0.000 1.160 211 A CA 1.557 53.677 52.037 0.139 0.000 0.653 211 A CB -0.732 18.292 19.000 0.041 0.000 0.801 211 A HN 0.803 nan 8.150 nan 0.000 0.455 212 H N 0.244 119.372 119.070 0.096 0.000 2.422 212 H HA -0.039 4.552 4.556 0.059 0.000 0.298 212 H C 1.511 176.921 175.328 0.136 0.000 1.098 212 H CA 1.939 58.040 56.048 0.088 0.000 1.315 212 H CB 0.037 29.828 29.762 0.048 0.000 1.382 212 H HN 0.424 nan 8.280 nan 0.000 0.523 213 K N -0.591 119.933 120.400 0.206 0.000 2.444 213 K HA -0.036 4.321 4.320 0.062 0.000 0.193 213 K C 1.363 178.109 176.600 0.243 0.000 1.024 213 K CA -0.008 56.401 56.287 0.204 0.000 1.077 213 K CB 0.039 32.719 32.500 0.299 0.000 0.833 213 K HN 0.292 nan 8.250 nan 0.000 0.517 214 F N 2.875 122.879 119.950 0.090 0.000 2.095 214 F HA -0.132 4.432 4.527 0.062 0.000 0.298 214 F C -1.012 174.803 175.800 0.025 0.000 1.104 214 F CA 1.278 59.360 58.000 0.136 0.000 1.232 214 F CB -0.357 38.708 39.000 0.108 0.000 0.987 214 F HN 0.018 nan 8.300 nan 0.000 0.475 215 P HA -0.113 nan 4.420 nan 0.000 0.219 215 P C 0.983 177.975 177.300 -0.512 0.000 1.150 215 P CA 1.552 64.428 63.100 -0.372 0.000 0.814 215 P CB -0.063 31.419 31.700 -0.365 0.000 0.787 216 D N -1.033 119.208 120.400 -0.264 0.000 2.097 216 D HA -0.178 4.499 4.640 0.062 0.000 0.195 216 D C 1.793 177.796 176.300 -0.495 0.000 0.989 216 D CA 1.127 55.006 54.000 -0.203 0.000 0.827 216 D CB -0.871 39.984 40.800 0.093 0.000 0.966 216 D HN 0.163 nan 8.370 nan 0.000 0.456 217 F N 1.828 121.364 119.950 -0.690 0.000 2.102 217 F HA -0.218 4.346 4.527 0.060 0.000 0.298 217 F C 2.295 177.719 175.800 -0.626 0.000 1.105 217 F CA 1.122 58.526 58.000 -0.994 0.000 1.239 217 F CB -0.247 38.406 39.000 -0.578 0.000 0.991 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.368 119.863 119.914 -0.698 0.000 2.295 218 V HA -0.350 3.807 4.120 0.062 0.000 0.246 218 V C 2.318 178.186 176.094 -0.377 0.000 1.049 218 V CA 2.494 64.432 62.300 -0.603 0.000 1.024 218 V CB -1.043 30.459 31.823 -0.534 0.000 0.648 218 V HN 0.475 nan 8.190 nan 0.000 0.447 219 H N -0.372 118.468 119.070 -0.383 0.000 2.387 219 H HA -0.129 4.464 4.556 0.062 0.000 0.299 219 H C 2.325 177.501 175.328 -0.253 0.000 1.090 219 H CA 1.014 56.919 56.048 -0.238 0.000 1.332 219 H CB 0.026 29.697 29.762 -0.152 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.433 123.077 122.820 -0.293 0.000 1.933 220 A HA -0.123 4.234 4.320 0.062 0.000 0.218 220 A C 2.507 179.933 177.584 -0.263 0.000 1.175 220 A CA 1.470 53.324 52.037 -0.305 0.000 0.628 220 A CB -0.710 17.976 19.000 -0.523 0.000 0.814 220 A HN 0.307 nan 8.150 nan 0.000 0.444 221 V N -0.271 119.360 119.914 -0.472 0.000 2.649 221 V HA 0.004 4.161 4.120 0.062 0.000 0.248 221 V C 0.897 176.967 176.094 -0.040 0.000 1.054 221 V CA 0.759 62.872 62.300 -0.311 0.000 1.073 221 V CB -0.458 31.003 31.823 -0.603 0.000 0.699 221 V HN 0.340 nan 8.190 nan 0.000 0.463 222 K N 1.054 121.392 120.400 -0.103 0.000 2.187 222 K HA 0.197 4.554 4.320 0.062 0.000 0.247 222 K C -2.273 174.291 176.600 -0.061 0.000 1.019 222 K CA -1.561 54.682 56.287 -0.072 0.000 0.893 222 K CB -0.446 32.001 32.500 -0.088 0.000 1.025 222 K HN 0.171 nan 8.250 nan 0.000 0.500 223 P HA -0.053 nan 4.420 nan 0.000 0.264 223 P C -0.460 176.787 177.300 -0.089 0.000 1.183 223 P CA 0.528 63.502 63.100 -0.209 0.000 0.763 223 P CB 0.334 31.917 31.700 -0.195 0.000 0.807 224 E N 5.221 125.411 120.200 -0.016 0.000 2.404 224 E HA 0.011 4.399 4.350 0.062 0.000 0.261 224 E C -1.345 175.346 176.600 0.152 0.000 1.074 224 E CA -1.338 55.166 56.400 0.173 0.000 0.917 224 E CB 0.151 30.083 29.700 0.386 0.000 0.965 224 E HN 0.423 nan 8.360 nan 0.000 0.433 225 P HA -0.130 nan 4.420 nan 0.000 0.235 225 P C 0.811 178.194 177.300 0.137 0.000 1.177 225 P CA 1.072 64.220 63.100 0.081 0.000 0.785 225 P CB 0.129 31.849 31.700 0.033 0.000 0.885 226 H N -1.018 118.098 119.070 0.076 0.000 2.372 226 H HA -0.036 4.557 4.556 0.062 0.000 0.301 226 H C 1.379 176.813 175.328 0.177 0.000 1.065 226 H CA 1.193 57.273 56.048 0.054 0.000 1.364 226 H CB -1.158 28.565 29.762 -0.066 0.000 1.406 226 H HN 0.282 nan 8.280 nan 0.000 0.521 227 W N 0.085 121.031 121.300 -0.590 0.000 2.714 227 W HA 0.691 5.388 4.660 0.061 0.000 0.353 227 W C 0.423 176.776 176.519 -0.277 0.000 0.999 227 W CA -0.930 56.178 57.345 -0.394 0.000 1.629 227 W CB -0.636 28.554 29.460 -0.449 0.000 1.106 227 W HN 0.403 nan 8.180 nan 0.000 0.545 228 A N 1.383 124.173 122.820 -0.051 0.000 2.667 228 A HA -0.147 4.210 4.320 0.062 0.000 0.298 228 A C -0.437 176.907 177.584 -0.400 0.000 1.483 228 A CA 1.434 53.365 52.037 -0.176 0.000 0.738 228 A CB -2.397 16.531 19.000 -0.120 0.000 1.067 228 A HN 0.461 nan 8.150 nan 0.000 0.451 229 I N 0.581 120.757 120.570 -0.657 0.000 2.647 229 I HA 0.558 4.766 4.170 0.062 0.000 0.295 229 I C -2.495 173.299 176.117 -0.539 0.000 1.078 229 I CA -2.323 58.497 61.300 -0.799 0.000 1.048 229 I CB 3.037 40.048 38.000 -1.649 0.000 1.239 229 I HN 0.216 nan 8.210 nan 0.000 0.421 230 P HA 0.330 nan 4.420 nan 0.000 0.295 230 P C -1.638 175.497 177.300 -0.274 0.000 1.319 230 P CA -0.888 61.989 63.100 -0.373 0.000 0.940 230 P CB 1.854 33.413 31.700 -0.236 0.000 1.192 231 Q N 0.726 120.412 119.800 -0.191 0.000 2.267 231 Q HA 0.492 4.869 4.340 0.062 0.000 0.255 231 Q C 1.067 177.030 176.000 -0.062 0.000 0.923 231 Q CA 1.022 56.753 55.803 -0.121 0.000 0.925 231 Q CB -0.248 28.428 28.738 -0.104 0.000 1.195 231 Q HN 0.820 nan 8.270 nan 0.000 0.417 232 G N 3.173 111.947 108.800 -0.043 0.000 2.198 232 G HA2 -0.282 3.716 3.960 0.062 0.000 0.260 232 G HA3 -0.282 3.716 3.960 0.062 0.000 0.260 232 G C -0.418 174.498 174.900 0.026 0.000 1.025 232 G CA 0.502 45.602 45.100 0.001 0.000 0.769 232 G HN 0.541 nan 8.290 nan 0.000 0.507 233 Q N -1.124 118.677 119.800 0.002 0.000 2.309 233 Q HA 0.539 4.916 4.340 0.062 0.000 0.273 233 Q C 0.709 176.720 176.000 0.018 0.000 1.040 233 Q CA -0.132 55.698 55.803 0.046 0.000 0.834 233 Q CB 1.758 30.566 28.738 0.115 0.000 1.345 233 Q HN 0.474 nan 8.270 nan 0.000 0.414 234 S N -0.577 115.031 115.700 -0.154 0.000 2.575 234 S HA 0.210 4.717 4.470 0.062 0.000 0.215 234 S C 0.845 175.365 174.600 -0.134 0.000 0.966 234 S CA 0.020 57.892 58.200 -0.546 0.000 0.911 234 S CB 0.336 62.651 63.200 -1.475 0.000 0.780 234 S HN 0.584 nan 8.310 nan 0.000 0.514 235 A N 2.266 125.218 122.820 0.220 0.000 3.091 235 A HA 0.557 4.914 4.320 0.062 0.000 0.264 235 A C 0.076 177.903 177.584 0.404 0.000 1.673 235 A CA -0.622 51.631 52.037 0.360 0.000 1.362 235 A CB -1.148 18.004 19.000 0.254 0.000 1.137 235 A HN 0.895 nan 8.150 nan 0.000 0.617 236 H N -3.566 115.702 119.070 0.329 0.000 2.981 236 H HA 0.500 5.093 4.556 0.061 0.000 0.327 236 H C -0.350 175.176 175.328 0.331 0.000 1.342 236 H CA -0.733 55.473 56.048 0.263 0.000 1.123 236 H CB 0.275 30.151 29.762 0.190 0.000 1.851 236 H HN 0.051 nan 8.280 nan 0.000 0.531 237 D N 0.090 120.678 120.400 0.313 0.000 2.097 237 D HA -0.163 4.514 4.640 0.062 0.000 0.195 237 D C 2.099 178.474 176.300 0.124 0.000 0.989 237 D CA 2.908 57.024 54.000 0.194 0.000 0.827 237 D CB -0.335 40.553 40.800 0.145 0.000 0.966 237 D HN 0.773 nan 8.370 nan 0.000 0.456 238 T N -1.637 112.989 114.554 0.120 0.000 2.833 238 T HA -0.184 4.203 4.350 0.062 0.000 0.269 238 T C 1.894 176.538 174.700 -0.093 0.000 1.054 238 T CA 0.585 62.716 62.100 0.051 0.000 1.135 238 T CB -0.635 68.310 68.868 0.128 0.000 0.869 238 T HN 0.166 nan 8.240 nan 0.000 0.466 239 F N 0.506 120.151 119.950 -0.509 0.000 2.163 239 F HA 0.154 4.718 4.527 0.061 0.000 0.297 239 F C 1.744 177.271 175.800 -0.456 0.000 1.094 239 F CA 0.427 58.055 58.000 -0.620 0.000 1.290 239 F CB -0.439 37.995 39.000 -0.944 0.000 1.017 239 F HN 0.129 nan 8.300 nan 0.000 0.483 240 W N 0.664 121.919 121.300 -0.074 0.000 2.467 240 W HA -0.062 4.636 4.660 0.064 0.000 0.275 240 W C 2.236 178.683 176.519 -0.120 0.000 1.239 240 W CA 0.965 58.247 57.345 -0.105 0.000 1.266 240 W CB -0.566 28.916 29.460 0.035 0.000 1.112 240 W HN 0.068 nan 8.180 nan 0.000 0.576 241 D N -0.479 119.967 120.400 0.077 0.000 2.087 241 D HA -0.306 4.372 4.640 0.062 0.000 0.192 241 D C 1.902 178.202 176.300 0.001 0.000 0.993 241 D CA 1.592 55.619 54.000 0.045 0.000 0.828 241 D CB -0.596 40.240 40.800 0.059 0.000 0.968 241 D HN 0.178 nan 8.370 nan 0.000 0.448 242 Y N 0.506 120.698 120.300 -0.180 0.000 2.081 242 Y HA -0.245 4.343 4.550 0.062 0.000 0.280 242 Y C 2.310 178.071 175.900 -0.231 0.000 1.163 242 Y CA 1.739 59.716 58.100 -0.204 0.000 1.135 242 Y CB -0.503 37.792 38.460 -0.275 0.000 0.970 242 Y HN -0.091 nan 8.280 nan 0.000 0.498 243 V N 0.143 119.929 119.914 -0.214 0.000 2.324 243 V HA -0.368 3.789 4.120 0.062 0.000 0.250 243 V C 2.608 178.643 176.094 -0.098 0.000 1.060 243 V CA 2.301 64.466 62.300 -0.225 0.000 1.042 243 V CB -1.288 30.301 31.823 -0.390 0.000 0.650 243 V HN 0.679 nan 8.190 nan 0.000 0.450 244 S N -0.363 115.323 115.700 -0.023 0.000 2.423 244 S HA -0.056 4.451 4.470 0.062 0.000 0.231 244 S C 1.690 176.257 174.600 -0.055 0.000 1.014 244 S CA 1.348 59.557 58.200 0.016 0.000 0.965 244 S CB -0.427 62.813 63.200 0.067 0.000 0.785 244 S HN 0.563 nan 8.310 nan 0.000 0.495 245 L N 0.033 121.174 121.223 -0.136 0.000 2.607 245 L HA 0.332 4.709 4.340 0.062 0.000 0.228 245 L C 0.480 177.175 176.870 -0.291 0.000 1.123 245 L CA 0.097 54.829 54.840 -0.180 0.000 0.890 245 L CB 0.082 42.036 42.059 -0.176 0.000 1.103 245 L HN 0.253 nan 8.230 nan 0.000 0.468 246 Q N 0.291 119.874 119.800 -0.361 0.000 3.244 246 Q HA 0.230 4.607 4.340 0.062 0.000 0.249 246 Q C -1.967 173.808 176.000 -0.376 0.000 0.951 246 Q CA -1.392 54.153 55.803 -0.429 0.000 0.740 246 Q CB 1.529 29.894 28.738 -0.622 0.000 1.334 246 Q HN -0.003 nan 8.270 nan 0.000 0.448 247 P HA -0.217 nan 4.420 nan 0.000 0.225 247 P C 1.012 178.000 177.300 -0.520 0.000 1.148 247 P CA 1.099 63.949 63.100 -0.416 0.000 0.779 247 P CB 0.253 31.692 31.700 -0.436 0.000 0.780 248 E N 0.753 120.486 120.200 -0.778 0.000 2.267 248 E HA -0.183 4.205 4.350 0.062 0.000 0.197 248 E C 1.398 177.944 176.600 -0.090 0.000 0.998 248 E CA 1.828 58.035 56.400 -0.320 0.000 0.830 248 E CB -1.251 28.345 29.700 -0.174 0.000 0.751 248 E HN 0.287 nan 8.360 nan 0.000 0.491 249 T N -0.841 113.662 114.554 -0.086 0.000 3.085 249 T HA 0.041 4.428 4.350 0.062 0.000 0.263 249 T C 1.898 176.660 174.700 0.103 0.000 1.127 249 T CA 0.310 62.428 62.100 0.030 0.000 1.103 249 T CB -0.271 68.641 68.868 0.073 0.000 0.921 249 T HN 0.148 nan 8.240 nan 0.000 0.510 250 L N -0.019 121.273 121.223 0.116 0.000 2.131 250 L HA -0.045 4.332 4.340 0.062 0.000 0.210 250 L C 2.825 179.865 176.870 0.284 0.000 1.092 250 L CA 1.593 56.574 54.840 0.235 0.000 0.759 250 L CB -0.723 41.491 42.059 0.257 0.000 0.903 250 L HN 0.476 nan 8.230 nan 0.000 0.435 251 H N -0.021 119.096 119.070 0.079 0.000 2.293 251 H HA -0.194 4.399 4.556 0.062 0.000 0.300 251 H C 2.137 177.463 175.328 -0.003 0.000 1.082 251 H CA 1.705 57.797 56.048 0.072 0.000 1.308 251 H CB 0.260 30.027 29.762 0.009 0.000 1.375 251 H HN 0.358 nan 8.280 nan 0.000 0.495 252 N N -0.058 118.456 118.700 -0.310 0.000 2.331 252 N HA -0.117 4.660 4.740 0.062 0.000 0.180 252 N C 1.896 177.223 175.510 -0.304 0.000 1.019 252 N CA 0.619 53.259 53.050 -0.684 0.000 0.881 252 N CB 0.314 37.932 38.487 -1.449 0.000 0.972 252 N HN 0.123 nan 8.380 nan 0.000 0.435 253 V N 1.612 121.581 119.914 0.091 0.000 2.332 253 V HA -0.257 3.900 4.120 0.062 0.000 0.248 253 V C 2.513 178.736 176.094 0.215 0.000 1.055 253 V CA 1.252 63.751 62.300 0.332 0.000 1.038 253 V CB -0.371 31.701 31.823 0.416 0.000 0.651 253 V HN 0.406 nan 8.190 nan 0.000 0.450 254 M N -1.562 118.198 119.600 0.266 0.000 2.080 254 M HA -0.205 4.312 4.480 0.062 0.000 0.260 254 M C 2.071 178.353 176.300 -0.030 0.000 1.068 254 M CA 1.869 57.320 55.300 0.252 0.000 1.109 254 M CB -1.253 31.521 32.600 0.290 0.000 1.342 254 M HN 0.475 nan 8.290 nan 0.000 0.405 255 W N 0.320 121.337 121.300 -0.471 0.000 2.363 255 W HA -0.067 4.631 4.660 0.064 0.000 0.296 255 W C 2.740 179.185 176.519 -0.122 0.000 1.212 255 W CA 1.773 58.824 57.345 -0.489 0.000 1.260 255 W CB -0.898 28.208 29.460 -0.591 0.000 1.131 255 W HN 0.286 nan 8.180 nan 0.000 0.530 256 A N -0.794 122.108 122.820 0.137 0.000 1.930 256 A HA -0.151 4.207 4.320 0.062 0.000 0.217 256 A C 1.923 179.558 177.584 0.085 0.000 1.175 256 A CA 1.448 53.571 52.037 0.144 0.000 0.627 256 A CB -0.537 18.588 19.000 0.208 0.000 0.815 256 A HN 0.076 nan 8.150 nan 0.000 0.443 257 M N 0.698 120.303 119.600 0.008 0.000 2.492 257 M HA 0.024 4.541 4.480 0.062 0.000 0.262 257 M C 1.451 177.792 176.300 0.068 0.000 1.090 257 M CA 0.723 55.968 55.300 -0.092 0.000 1.110 257 M CB -1.318 30.966 32.600 -0.527 0.000 1.407 257 M HN 0.538 nan 8.290 nan 0.000 0.470 258 S N 0.329 116.130 115.700 0.168 0.000 2.634 258 S HA 0.069 4.576 4.470 0.062 0.000 0.261 258 S C 0.759 175.496 174.600 0.229 0.000 1.271 258 S CA -0.394 57.951 58.200 0.243 0.000 0.985 258 S CB 0.977 64.376 63.200 0.332 0.000 0.968 258 S HN 0.196 nan 8.310 nan 0.000 0.568 259 D N 0.409 120.965 120.400 0.261 0.000 2.351 259 D HA -0.020 4.657 4.640 0.062 0.000 0.216 259 D C 1.899 178.352 176.300 0.256 0.000 0.968 259 D CA 0.479 54.653 54.000 0.291 0.000 0.899 259 D CB -0.180 40.863 40.800 0.406 0.000 0.907 259 D HN 0.419 nan 8.370 nan 0.000 0.514 260 R N 0.257 120.901 120.500 0.240 0.000 2.159 260 R HA -0.071 4.307 4.340 0.062 0.000 0.237 260 R C 2.079 178.540 176.300 0.269 0.000 1.131 260 R CA 1.048 57.313 56.100 0.275 0.000 0.982 260 R CB -0.820 29.711 30.300 0.385 0.000 0.868 260 R HN 0.194 nan 8.270 nan 0.000 0.453 261 G N 1.367 110.312 108.800 0.242 0.000 2.679 261 G HA2 -0.018 3.979 3.960 0.062 0.000 0.212 261 G HA3 -0.018 3.979 3.960 0.062 0.000 0.212 261 G C 1.026 176.071 174.900 0.242 0.000 1.137 261 G CA 0.095 45.329 45.100 0.222 0.000 0.787 261 G HN 0.425 nan 8.290 nan 0.000 0.534 262 I N -2.235 118.489 120.570 0.256 0.000 2.926 262 I HA 0.352 4.559 4.170 0.062 0.000 0.295 262 I C -2.869 173.405 176.117 0.262 0.000 1.463 262 I CA -2.561 58.896 61.300 0.262 0.000 0.892 262 I CB 1.750 39.909 38.000 0.265 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.080 nan 4.420 nan 0.000 0.269 263 P C 0.556 178.004 177.300 0.246 0.000 1.209 263 P CA -0.147 63.067 63.100 0.190 0.000 0.776 263 P CB 1.284 33.032 31.700 0.080 0.000 0.876 264 R N 1.821 122.445 120.500 0.208 0.000 2.115 264 R HA 0.003 4.380 4.340 0.062 0.000 0.230 264 R C 0.459 176.911 176.300 0.254 0.000 1.111 264 R CA 1.472 57.740 56.100 0.281 0.000 0.976 264 R CB -0.392 30.039 30.300 0.218 0.000 0.870 264 R HN 0.550 nan 8.270 nan 0.000 0.445 265 S N -2.841 112.797 115.700 -0.104 0.000 2.552 265 S HA 0.216 4.723 4.470 0.062 0.000 0.272 265 S C -0.458 173.832 174.600 -0.516 0.000 1.150 265 S CA -0.861 57.114 58.200 -0.376 0.000 0.849 265 S CB 0.159 63.271 63.200 -0.147 0.000 1.113 265 S HN 0.122 nan 8.310 nan 0.000 0.458 266 Y N 2.221 122.136 120.300 -0.641 0.000 2.497 266 Y HA 0.087 4.675 4.550 0.063 0.000 0.292 266 Y C 2.277 177.798 175.900 -0.632 0.000 1.137 266 Y CA 0.887 58.486 58.100 -0.835 0.000 1.285 266 Y CB -0.277 37.281 38.460 -1.503 0.000 0.991 266 Y HN 0.547 nan 8.280 nan 0.000 0.556 267 R N -0.490 119.864 120.500 -0.243 0.000 2.280 267 R HA -0.014 4.364 4.340 0.062 0.000 0.207 267 R C 0.943 177.198 176.300 -0.075 0.000 1.043 267 R CA 1.462 57.478 56.100 -0.140 0.000 1.006 267 R CB -0.353 29.861 30.300 -0.144 0.000 0.885 267 R HN 0.322 nan 8.270 nan 0.000 0.467 268 T N -2.022 112.504 114.554 -0.046 0.000 3.415 268 T HA 0.341 4.728 4.350 0.062 0.000 0.282 268 T C 0.146 174.883 174.700 0.063 0.000 1.007 268 T CA -0.703 61.400 62.100 0.005 0.000 0.958 268 T CB -0.038 68.819 68.868 -0.019 0.000 1.171 268 T HN 0.074 nan 8.240 nan 0.000 0.500 269 M N -1.006 118.669 119.600 0.126 0.000 2.644 269 M HA 0.741 5.258 4.480 0.062 0.000 0.304 269 M C -1.124 175.352 176.300 0.292 0.000 1.215 269 M CA -0.881 54.537 55.300 0.197 0.000 0.871 269 M CB 2.099 34.816 32.600 0.195 0.000 1.740 269 M HN -0.149 nan 8.290 nan 0.000 0.464 270 E N 0.454 120.822 120.200 0.281 0.000 2.349 270 E HA 0.614 5.001 4.350 0.062 0.000 0.262 270 E C -0.251 176.412 176.600 0.106 0.000 1.088 270 E CA -0.506 55.989 56.400 0.159 0.000 0.899 270 E CB 1.604 31.322 29.700 0.030 0.000 1.044 270 E HN 0.852 nan 8.360 nan 0.000 0.420 271 G N 0.914 109.614 108.800 -0.166 0.000 2.481 271 G HA2 0.643 4.641 3.960 0.062 0.000 0.315 271 G HA3 0.643 4.641 3.960 0.062 0.000 0.315 271 G C -1.385 173.059 174.900 -0.761 0.000 1.231 271 G CA -0.440 44.528 45.100 -0.221 0.000 0.968 271 G HN 0.301 nan 8.290 nan 0.000 0.482 272 F N -0.719 119.173 119.950 -0.095 0.000 2.619 272 F HA 0.487 5.050 4.527 0.061 0.000 0.308 272 F C 1.022 176.729 175.800 -0.154 0.000 1.097 272 F CA -0.571 57.294 58.000 -0.224 0.000 0.953 272 F CB 2.405 41.223 39.000 -0.303 0.000 1.287 272 F HN 0.605 nan 8.300 nan 0.000 0.446 273 G N -0.533 108.328 108.800 0.102 0.000 2.813 273 G HA2 0.172 4.169 3.960 0.062 0.000 0.209 273 G HA3 0.172 4.169 3.960 0.062 0.000 0.209 273 G C 0.709 175.682 174.900 0.122 0.000 1.150 273 G CA 0.745 45.959 45.100 0.189 0.000 0.785 273 G HN 0.986 nan 8.290 nan 0.000 0.535 274 C N -1.539 117.727 119.300 -0.057 0.000 5.887 274 C HA -0.149 4.348 4.460 0.062 0.000 0.327 274 C C 0.790 175.509 174.990 -0.451 0.000 2.420 274 C CA 0.734 59.553 59.018 -0.332 0.000 2.184 274 C CB -1.877 25.543 27.740 -0.533 0.000 3.223 274 C HN 0.607 nan 8.230 nan 0.000 0.271 275 H N -0.052 119.055 119.070 0.061 0.000 2.710 275 H HA 0.486 5.080 4.556 0.063 0.000 0.361 275 H C -0.185 175.097 175.328 -0.077 0.000 1.175 275 H CA 0.050 56.038 56.048 -0.100 0.000 1.206 275 H CB 0.777 30.328 29.762 -0.352 0.000 1.750 275 H HN 0.272 nan 8.280 nan 0.000 0.553 276 T N 2.674 117.215 114.554 -0.021 0.000 2.779 276 T HA 0.232 4.619 4.350 0.062 0.000 0.296 276 T C 0.084 174.725 174.700 -0.098 0.000 0.938 276 T CA 0.126 62.194 62.100 -0.053 0.000 1.119 276 T CB -0.376 68.403 68.868 -0.148 0.000 0.891 276 T HN 0.195 nan 8.240 nan 0.000 0.526 277 F N 1.358 121.259 119.950 -0.082 0.000 2.611 277 F HA 0.639 5.202 4.527 0.060 0.000 0.374 277 F C 1.084 176.835 175.800 -0.081 0.000 1.110 277 F CA -1.329 56.647 58.000 -0.041 0.000 1.090 277 F CB 1.333 40.291 39.000 -0.070 0.000 1.388 277 F HN 0.184 nan 8.300 nan 0.000 0.501 278 R N 0.581 121.140 120.500 0.098 0.000 2.711 278 R HA 0.634 5.011 4.340 0.062 0.000 0.284 278 R C -1.551 174.636 176.300 -0.188 0.000 0.968 278 R CA -0.867 55.155 56.100 -0.131 0.000 0.924 278 R CB 1.825 31.983 30.300 -0.237 0.000 1.162 278 R HN 0.441 nan 8.270 nan 0.000 0.465 279 L N 3.666 124.728 121.223 -0.268 0.000 2.309 279 L HA 0.521 4.898 4.340 0.062 0.000 0.282 279 L C -0.512 176.203 176.870 -0.258 0.000 1.036 279 L CA -0.874 53.816 54.840 -0.251 0.000 0.806 279 L CB 1.324 43.239 42.059 -0.240 0.000 1.220 279 L HN 0.367 nan 8.230 nan 0.000 0.429 280 I N 2.856 123.298 120.570 -0.213 0.000 2.447 280 I HA 0.278 4.485 4.170 0.062 0.000 0.287 280 I C -0.254 175.779 176.117 -0.139 0.000 1.023 280 I CA -0.727 60.453 61.300 -0.201 0.000 1.083 280 I CB 1.411 39.302 38.000 -0.181 0.000 1.245 280 I HN 0.618 nan 8.210 nan 0.000 0.434 281 N N 4.855 123.485 118.700 -0.117 0.000 2.448 281 N HA 0.387 5.164 4.740 0.062 0.000 0.274 281 N C 0.800 176.271 175.510 -0.064 0.000 1.239 281 N CA -0.333 52.668 53.050 -0.082 0.000 0.982 281 N CB 0.746 39.191 38.487 -0.069 0.000 1.199 281 N HN 0.526 nan 8.380 nan 0.000 0.576 282 A N -0.571 122.220 122.820 -0.048 0.000 2.019 282 A HA -0.102 4.255 4.320 0.062 0.000 0.219 282 A C 1.468 179.033 177.584 -0.031 0.000 1.164 282 A CA 1.046 53.061 52.037 -0.038 0.000 0.644 282 A CB -0.566 18.417 19.000 -0.028 0.000 0.805 282 A HN 0.682 nan 8.150 nan 0.000 0.449 283 E N -1.217 118.966 120.200 -0.030 0.000 2.481 283 E HA 0.137 4.524 4.350 0.062 0.000 0.195 283 E C 1.352 177.943 176.600 -0.015 0.000 1.047 283 E CA 0.705 57.092 56.400 -0.021 0.000 0.867 283 E CB -0.238 29.451 29.700 -0.019 0.000 0.858 283 E HN 0.795 nan 8.360 nan 0.000 0.513 284 G N 1.785 110.574 108.800 -0.019 0.000 2.175 284 G HA2 -0.318 3.679 3.960 0.062 0.000 0.244 284 G HA3 -0.318 3.679 3.960 0.062 0.000 0.244 284 G C 0.395 175.312 174.900 0.029 0.000 0.982 284 G CA 0.370 45.477 45.100 0.012 0.000 0.641 284 G HN 0.279 nan 8.290 nan 0.000 0.527 285 K N 0.936 121.316 120.400 -0.034 0.000 2.368 285 K HA 0.622 4.980 4.320 0.062 0.000 0.282 285 K C 0.590 177.059 176.600 -0.219 0.000 1.035 285 K CA 0.267 56.507 56.287 -0.079 0.000 0.973 285 K CB 0.479 32.934 32.500 -0.076 0.000 0.957 285 K HN 0.565 nan 8.250 nan 0.000 0.474 286 A N 3.412 125.990 122.820 -0.402 0.000 2.290 286 A HA 0.404 4.761 4.320 0.062 0.000 0.310 286 A C -0.730 176.543 177.584 -0.518 0.000 1.202 286 A CA -0.501 51.129 52.037 -0.678 0.000 0.837 286 A CB 1.145 19.279 19.000 -1.444 0.000 1.139 286 A HN 0.710 nan 8.150 nan 0.000 0.509 287 T N 2.450 116.739 114.554 -0.442 0.000 2.824 287 T HA 0.539 4.926 4.350 0.062 0.000 0.282 287 T C -0.577 173.912 174.700 -0.350 0.000 0.993 287 T CA -0.063 61.834 62.100 -0.337 0.000 0.967 287 T CB 0.414 69.174 68.868 -0.181 0.000 0.960 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.059 121.917 119.950 -0.154 0.000 2.471 288 F HA 0.513 5.077 4.527 0.061 0.000 0.353 288 F C 0.580 176.265 175.800 -0.191 0.000 1.113 288 F CA -0.395 57.510 58.000 -0.159 0.000 1.262 288 F CB 0.649 39.580 39.000 -0.116 0.000 1.146 288 F HN 0.184 nan 8.300 nan 0.000 0.578 289 V N 4.620 124.502 119.914 -0.053 0.000 2.808 289 V HA 0.581 4.739 4.120 0.062 0.000 0.308 289 V C -0.991 174.889 176.094 -0.355 0.000 1.099 289 V CA -0.749 61.370 62.300 -0.301 0.000 0.920 289 V CB 2.015 33.438 31.823 -0.667 0.000 1.014 289 V HN 0.771 nan 8.190 nan 0.000 0.425 290 R N 4.731 125.083 120.500 -0.246 0.000 2.562 290 R HA 0.574 4.951 4.340 0.062 0.000 0.298 290 R C -1.573 174.667 176.300 -0.101 0.000 0.961 290 R CA -0.477 55.509 56.100 -0.189 0.000 0.881 290 R CB 2.052 32.358 30.300 0.010 0.000 1.159 290 R HN 0.600 nan 8.270 nan 0.000 0.450 291 F N 1.919 121.912 119.950 0.072 0.000 2.385 291 F HA 0.363 4.927 4.527 0.061 0.000 0.336 291 F C 0.913 176.649 175.800 -0.108 0.000 1.100 291 F CA -0.096 57.917 58.000 0.022 0.000 1.116 291 F CB 0.895 39.795 39.000 -0.167 0.000 1.166 291 F HN 0.191 nan 8.300 nan 0.000 0.511 292 H N 1.041 120.121 119.070 0.017 0.000 2.771 292 H HA 0.221 4.814 4.556 0.062 0.000 0.361 292 H C -1.576 173.564 175.328 -0.313 0.000 1.108 292 H CA -1.000 54.955 56.048 -0.155 0.000 1.201 292 H CB 1.844 31.602 29.762 -0.006 0.000 1.681 292 H HN 0.684 nan 8.280 nan 0.000 0.534 293 W N 2.621 123.806 121.300 -0.191 0.000 2.532 293 W HA 0.325 5.021 4.660 0.060 0.000 0.321 293 W C -0.026 176.521 176.519 0.048 0.000 1.037 293 W CA -0.807 56.488 57.345 -0.084 0.000 1.220 293 W CB 1.782 31.020 29.460 -0.370 0.000 1.361 293 W HN 0.301 nan 8.180 nan 0.000 0.468 294 K N 5.750 126.427 120.400 0.462 0.000 2.265 294 K HA 0.390 4.747 4.320 0.062 0.000 0.267 294 K C -2.432 174.391 176.600 0.372 0.000 0.994 294 K CA -1.880 54.609 56.287 0.337 0.000 0.860 294 K CB 1.446 34.096 32.500 0.249 0.000 1.099 294 K HN 0.050 nan 8.250 nan 0.000 0.448 295 P HA 0.067 nan 4.420 nan 0.000 0.282 295 P C 0.367 177.678 177.300 0.017 0.000 1.274 295 P CA -0.177 62.992 63.100 0.116 0.000 0.770 295 P CB 0.866 32.653 31.700 0.144 0.000 0.867 296 L N 2.771 123.946 121.223 -0.079 0.000 2.376 296 L HA -0.074 4.303 4.340 0.062 0.000 0.219 296 L C 2.173 179.021 176.870 -0.037 0.000 1.133 296 L CA 1.135 55.962 54.840 -0.022 0.000 0.816 296 L CB -0.609 41.445 42.059 -0.008 0.000 0.933 296 L HN 0.349 nan 8.230 nan 0.000 0.449 297 A N 0.069 122.838 122.820 -0.084 0.000 2.238 297 A HA 0.411 4.768 4.320 0.062 0.000 0.208 297 A C 1.242 178.821 177.584 -0.009 0.000 1.177 297 A CA 0.646 52.653 52.037 -0.051 0.000 0.804 297 A CB -0.447 18.504 19.000 -0.081 0.000 0.823 297 A HN 0.453 nan 8.150 nan 0.000 0.482 298 G N -0.584 108.226 108.800 0.015 0.000 2.746 298 G HA2 -0.139 3.858 3.960 0.062 0.000 0.685 298 G HA3 -0.139 3.858 3.960 0.062 0.000 0.685 298 G C -0.630 174.299 174.900 0.049 0.000 1.350 298 G CA -0.468 44.662 45.100 0.049 0.000 0.837 298 G HN 0.446 nan 8.290 nan 0.000 0.564 299 K N 0.256 120.693 120.400 0.061 0.000 2.201 299 K HA 0.690 5.047 4.320 0.062 0.000 0.278 299 K C 0.233 176.833 176.600 -0.001 0.000 1.027 299 K CA 0.271 56.579 56.287 0.035 0.000 0.909 299 K CB 1.640 34.145 32.500 0.009 0.000 1.062 299 K HN 1.432 nan 8.250 nan 0.000 0.465 300 A N 1.871 124.677 122.820 -0.024 0.000 2.540 300 A HA 0.579 4.936 4.320 0.062 0.000 0.297 300 A C -1.136 176.489 177.584 0.068 0.000 1.056 300 A CA -0.663 51.314 52.037 -0.101 0.000 0.700 300 A CB 1.735 20.452 19.000 -0.472 0.000 1.280 300 A HN 0.511 nan 8.150 nan 0.000 0.398 301 S N 0.610 116.512 115.700 0.336 0.000 2.632 301 S HA 0.733 5.241 4.470 0.062 0.000 0.289 301 S C -0.056 174.866 174.600 0.537 0.000 1.115 301 S CA -0.640 57.795 58.200 0.392 0.000 0.889 301 S CB 1.175 64.598 63.200 0.372 0.000 1.116 301 S HN 0.664 nan 8.310 nan 0.000 0.486 302 L N 1.472 122.902 121.223 0.344 0.000 2.456 302 L HA 0.431 4.809 4.340 0.062 0.000 0.246 302 L C 0.204 177.199 176.870 0.208 0.000 1.238 302 L CA -0.619 54.343 54.840 0.203 0.000 0.826 302 L CB 0.026 42.114 42.059 0.049 0.000 1.150 302 L HN 0.490 nan 8.230 nan 0.000 0.514 303 V N -2.878 117.055 119.914 0.033 0.000 2.881 303 V HA 0.189 4.346 4.120 0.062 0.000 0.316 303 V C 0.671 176.712 176.094 -0.088 0.000 1.070 303 V CA -0.802 61.492 62.300 -0.009 0.000 0.976 303 V CB 1.649 33.434 31.823 -0.063 0.000 1.038 303 V HN 0.955 nan 8.190 nan 0.000 0.446 304 W N 1.728 122.897 121.300 -0.217 0.000 2.335 304 W HA -0.203 4.494 4.660 0.061 0.000 0.311 304 W C 1.747 178.107 176.519 -0.265 0.000 1.213 304 W CA 2.492 59.700 57.345 -0.229 0.000 1.274 304 W CB -0.093 29.214 29.460 -0.255 0.000 1.148 304 W HN 0.997 nan 8.180 nan 0.000 0.498 305 D N 0.301 120.409 120.400 -0.487 0.000 2.144 305 D HA -0.281 4.396 4.640 0.062 0.000 0.199 305 D C 2.132 178.077 176.300 -0.592 0.000 0.984 305 D CA 2.032 55.714 54.000 -0.531 0.000 0.834 305 D CB -0.440 40.301 40.800 -0.098 0.000 0.955 305 D HN 0.382 nan 8.370 nan 0.000 0.465 306 E N -0.352 119.370 120.200 -0.797 0.000 2.047 306 E HA -0.195 4.192 4.350 0.062 0.000 0.191 306 E C 2.042 178.295 176.600 -0.578 0.000 0.987 306 E CA 1.022 56.899 56.400 -0.873 0.000 0.799 306 E CB -0.226 28.829 29.700 -1.075 0.000 0.752 306 E HN 0.298 nan 8.360 nan 0.000 0.449 307 A N 1.233 123.734 122.820 -0.532 0.000 1.883 307 A HA -0.279 4.079 4.320 0.062 0.000 0.217 307 A C 2.188 179.430 177.584 -0.570 0.000 1.186 307 A CA 1.923 53.694 52.037 -0.443 0.000 0.624 307 A CB -0.734 18.120 19.000 -0.244 0.000 0.822 307 A HN 0.459 nan 8.150 nan 0.000 0.444 308 Q N -0.658 118.588 119.800 -0.924 0.000 2.079 308 Q HA -0.162 4.215 4.340 0.062 0.000 0.200 308 Q C 2.190 177.906 176.000 -0.475 0.000 0.974 308 Q CA 1.711 56.996 55.803 -0.863 0.000 0.840 308 Q CB -0.143 27.785 28.738 -1.349 0.000 0.898 308 Q HN 0.666 nan 8.270 nan 0.000 0.430 309 K N 0.074 120.218 120.400 -0.426 0.000 2.148 309 K HA -0.138 4.219 4.320 0.062 0.000 0.204 309 K C 2.025 178.483 176.600 -0.236 0.000 1.050 309 K CA 0.621 56.755 56.287 -0.255 0.000 0.942 309 K CB -0.004 32.391 32.500 -0.176 0.000 0.724 309 K HN 0.179 nan 8.250 nan 0.000 0.446 310 L N 1.415 122.455 121.223 -0.306 0.000 2.201 310 L HA -0.111 4.266 4.340 0.062 0.000 0.212 310 L C 2.155 178.892 176.870 -0.222 0.000 1.105 310 L CA 2.062 56.724 54.840 -0.298 0.000 0.775 310 L CB -0.868 40.921 42.059 -0.449 0.000 0.913 310 L HN 0.305 nan 8.230 nan 0.000 0.440 311 T N -4.247 110.179 114.554 -0.214 0.000 2.849 311 T HA -0.083 4.304 4.350 0.062 0.000 0.270 311 T C 1.813 176.452 174.700 -0.103 0.000 1.066 311 T CA 1.091 63.107 62.100 -0.139 0.000 1.130 311 T CB -0.895 67.902 68.868 -0.118 0.000 0.864 311 T HN 0.384 nan 8.240 nan 0.000 0.481 312 G N 0.923 109.656 108.800 -0.112 0.000 2.490 312 G HA2 0.039 4.036 3.960 0.062 0.000 0.211 312 G HA3 0.039 4.036 3.960 0.062 0.000 0.211 312 G C 1.885 176.744 174.900 -0.068 0.000 1.159 312 G CA -0.313 44.739 45.100 -0.079 0.000 0.819 312 G HN 0.291 nan 8.290 nan 0.000 0.539 313 R N 0.375 120.824 120.500 -0.084 0.000 2.092 313 R HA 0.029 4.406 4.340 0.062 0.000 0.231 313 R C -0.167 176.109 176.300 -0.038 0.000 1.119 313 R CA 0.853 56.917 56.100 -0.060 0.000 0.970 313 R CB -0.273 29.984 30.300 -0.072 0.000 0.864 313 R HN 0.332 nan 8.270 nan 0.000 0.440 314 D N -0.546 119.826 120.400 -0.046 0.000 2.337 314 D HA 0.142 4.819 4.640 0.062 0.000 0.238 314 D C -2.123 174.179 176.300 0.004 0.000 1.331 314 D CA -1.822 52.184 54.000 0.009 0.000 0.967 314 D CB 1.511 42.364 40.800 0.089 0.000 1.382 314 D HN -0.137 nan 8.370 nan 0.000 0.549 315 P HA 0.017 nan 4.420 nan 0.000 0.230 315 P C 0.026 177.334 177.300 0.012 0.000 1.158 315 P CA 0.572 63.663 63.100 -0.016 0.000 0.769 315 P CB 0.531 32.218 31.700 -0.021 0.000 0.807 316 D N -1.278 119.141 120.400 0.031 0.000 2.427 316 D HA 0.070 4.747 4.640 0.062 0.000 0.224 316 D C 1.197 177.536 176.300 0.065 0.000 1.157 316 D CA -0.432 53.593 54.000 0.041 0.000 0.828 316 D CB -0.568 40.234 40.800 0.003 0.000 0.974 316 D HN 0.120 nan 8.370 nan 0.000 0.498 317 F N 1.210 121.103 119.950 -0.094 0.000 2.126 317 F HA -0.234 4.330 4.527 0.062 0.000 0.299 317 F C 2.026 177.806 175.800 -0.034 0.000 1.096 317 F CA 1.856 59.800 58.000 -0.095 0.000 1.255 317 F CB 0.088 38.976 39.000 -0.186 0.000 0.997 317 F HN 0.118 nan 8.300 nan 0.000 0.479 318 H N -1.336 117.654 119.070 -0.133 0.000 2.403 318 H HA -0.045 4.548 4.556 0.062 0.000 0.298 318 H C 2.369 177.597 175.328 -0.167 0.000 1.059 318 H CA 0.731 56.552 56.048 -0.378 0.000 1.363 318 H CB -0.088 29.269 29.762 -0.676 0.000 1.410 318 H HN 0.154 nan 8.280 nan 0.000 0.528 319 R N 1.324 121.926 120.500 0.170 0.000 2.083 319 R HA -0.160 4.217 4.340 0.062 0.000 0.237 319 R C 2.439 178.844 176.300 0.176 0.000 1.137 319 R CA 1.594 57.844 56.100 0.251 0.000 0.951 319 R CB -0.050 30.383 30.300 0.222 0.000 0.851 319 R HN 0.200 nan 8.270 nan 0.000 0.434 320 R N 0.207 120.731 120.500 0.039 0.000 2.075 320 R HA -0.124 4.253 4.340 0.062 0.000 0.232 320 R C 2.169 178.466 176.300 -0.006 0.000 1.126 320 R CA 1.615 57.721 56.100 0.009 0.000 0.963 320 R CB -0.211 30.054 30.300 -0.058 0.000 0.858 320 R HN 0.276 nan 8.270 nan 0.000 0.435 321 E N 0.628 120.709 120.200 -0.198 0.000 2.106 321 E HA -0.188 4.199 4.350 0.062 0.000 0.192 321 E C 1.986 178.548 176.600 -0.063 0.000 0.984 321 E CA 0.914 57.172 56.400 -0.237 0.000 0.806 321 E CB 0.004 29.384 29.700 -0.532 0.000 0.750 321 E HN 0.268 nan 8.360 nan 0.000 0.458 322 L N 0.750 121.983 121.223 0.016 0.000 2.027 322 L HA -0.139 4.239 4.340 0.062 0.000 0.206 322 L C 2.189 179.158 176.870 0.165 0.000 1.074 322 L CA 1.759 56.656 54.840 0.096 0.000 0.745 322 L CB -0.861 41.316 42.059 0.196 0.000 0.898 322 L HN 0.300 nan 8.230 nan 0.000 0.433 323 W N 0.873 122.205 121.300 0.053 0.000 2.358 323 W HA -0.178 4.519 4.660 0.061 0.000 0.303 323 W C 2.137 178.685 176.519 0.049 0.000 1.208 323 W CA 1.979 59.370 57.345 0.076 0.000 1.274 323 W CB -0.056 29.452 29.460 0.081 0.000 1.138 323 W HN 0.352 nan 8.180 nan 0.000 0.515 324 E N 0.062 120.440 120.200 0.295 0.000 2.150 324 E HA -0.133 4.254 4.350 0.062 0.000 0.193 324 E C 2.375 179.007 176.600 0.053 0.000 0.985 324 E CA 1.098 57.587 56.400 0.149 0.000 0.814 324 E CB -0.322 29.420 29.700 0.070 0.000 0.752 324 E HN 0.177 nan 8.360 nan 0.000 0.466 325 A N 1.231 124.078 122.820 0.046 0.000 1.902 325 A HA -0.169 4.189 4.320 0.062 0.000 0.217 325 A C 2.145 179.757 177.584 0.046 0.000 1.181 325 A CA 1.039 53.096 52.037 0.032 0.000 0.623 325 A CB -0.502 18.515 19.000 0.028 0.000 0.818 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.514 120.100 120.570 0.074 0.000 2.315 326 I HA -0.215 3.993 4.170 0.062 0.000 0.248 326 I C 2.401 178.591 176.117 0.121 0.000 1.117 326 I CA 1.277 62.669 61.300 0.153 0.000 1.404 326 I CB -0.380 37.638 38.000 0.030 0.000 1.071 326 I HN 0.419 nan 8.210 nan 0.000 0.419 327 E N 0.863 121.081 120.200 0.031 0.000 2.204 327 E HA -0.182 4.205 4.350 0.062 0.000 0.195 327 E C 2.129 178.748 176.600 0.031 0.000 0.990 327 E CA 1.193 57.624 56.400 0.051 0.000 0.821 327 E CB -0.074 29.685 29.700 0.099 0.000 0.750 327 E HN 0.498 nan 8.360 nan 0.000 0.477 328 A N 0.045 122.858 122.820 -0.012 0.000 2.169 328 A HA 0.214 4.571 4.320 0.062 0.000 0.212 328 A C 1.816 179.336 177.584 -0.106 0.000 1.153 328 A CA 0.966 52.974 52.037 -0.050 0.000 0.756 328 A CB -0.088 18.862 19.000 -0.084 0.000 0.813 328 A HN 0.339 nan 8.150 nan 0.000 0.471 329 G N -0.394 108.267 108.800 -0.233 0.000 2.176 329 G HA2 -0.208 3.789 3.960 0.062 0.000 0.253 329 G HA3 -0.208 3.789 3.960 0.062 0.000 0.253 329 G C -0.203 174.200 174.900 -0.828 0.000 0.979 329 G CA 0.229 44.867 45.100 -0.769 0.000 0.641 329 G HN 0.458 nan 8.290 nan 0.000 0.530 330 D N 1.139 121.335 120.400 -0.340 0.000 2.688 330 D HA 0.281 4.958 4.640 0.062 0.000 0.228 330 D C 0.689 176.926 176.300 -0.104 0.000 1.116 330 D CA -0.009 53.877 54.000 -0.189 0.000 1.023 330 D CB -0.736 40.052 40.800 -0.019 0.000 1.100 330 D HN 0.419 nan 8.370 nan 0.000 0.487 331 F N 1.393 121.343 119.950 0.001 0.000 2.578 331 F HA 0.119 4.683 4.527 0.062 0.000 0.376 331 F C -1.371 174.396 175.800 -0.054 0.000 1.085 331 F CA -2.056 55.935 58.000 -0.014 0.000 1.260 331 F CB 0.134 39.136 39.000 0.002 0.000 1.095 331 F HN -0.084 nan 8.300 nan 0.000 0.573 332 P HA 0.020 nan 4.420 nan 0.000 0.263 332 P C -1.097 176.138 177.300 -0.109 0.000 1.195 332 P CA 0.376 63.451 63.100 -0.042 0.000 0.762 332 P CB 0.449 32.211 31.700 0.103 0.000 0.799 333 E N 2.350 122.337 120.200 -0.355 0.000 2.222 333 E HA 0.466 4.853 4.350 0.062 0.000 0.267 333 E C -1.058 175.220 176.600 -0.536 0.000 0.884 333 E CA -0.559 55.691 56.400 -0.250 0.000 0.764 333 E CB 1.455 31.111 29.700 -0.073 0.000 1.169 333 E HN 0.377 nan 8.360 nan 0.000 0.413 334 Y N 0.287 120.658 120.300 0.118 0.000 2.524 334 Y HA 0.244 4.832 4.550 0.063 0.000 0.347 334 Y C -0.272 175.865 175.900 0.395 0.000 1.005 334 Y CA -0.984 57.261 58.100 0.243 0.000 1.025 334 Y CB 1.988 40.547 38.460 0.165 0.000 1.275 334 Y HN 0.458 nan 8.280 nan 0.000 0.460 335 E N 2.813 123.350 120.200 0.562 0.000 2.134 335 E HA 0.384 4.771 4.350 0.062 0.000 0.278 335 E C -1.458 175.439 176.600 0.496 0.000 0.959 335 E CA -0.922 55.768 56.400 0.483 0.000 0.783 335 E CB 0.973 30.889 29.700 0.360 0.000 1.095 335 E HN 0.599 nan 8.360 nan 0.000 0.399 336 L N 4.360 125.804 121.223 0.368 0.000 2.416 336 L HA 0.511 4.889 4.340 0.062 0.000 0.272 336 L C -0.059 176.754 176.870 -0.094 0.000 1.161 336 L CA 0.650 55.404 54.840 -0.142 0.000 0.845 336 L CB 1.063 42.973 42.059 -0.247 0.000 1.119 336 L HN 0.585 nan 8.230 nan 0.000 0.464 337 G N 4.250 113.005 108.800 -0.075 0.000 2.659 337 G HA2 0.570 4.567 3.960 0.062 0.000 0.296 337 G HA3 0.570 4.567 3.960 0.062 0.000 0.296 337 G C -1.682 173.370 174.900 0.254 0.000 1.369 337 G CA -0.529 44.566 45.100 -0.008 0.000 0.937 337 G HN 0.469 nan 8.290 nan 0.000 0.485 338 F N 0.216 120.192 119.950 0.044 0.000 2.507 338 F HA 0.381 4.946 4.527 0.063 0.000 0.325 338 F C 0.319 176.121 175.800 0.005 0.000 1.116 338 F CA -0.992 57.036 58.000 0.048 0.000 0.930 338 F CB 2.618 41.629 39.000 0.017 0.000 1.146 338 F HN 0.148 nan 8.300 nan 0.000 0.447 339 Q N 4.325 124.253 119.800 0.214 0.000 2.296 339 Q HA 0.469 4.847 4.340 0.062 0.000 0.257 339 Q C -1.016 175.033 176.000 0.081 0.000 0.942 339 Q CA -0.387 55.483 55.803 0.113 0.000 0.939 339 Q CB 1.969 30.777 28.738 0.117 0.000 1.198 339 Q HN 0.528 nan 8.270 nan 0.000 0.429 340 L N 4.544 125.822 121.223 0.091 0.000 2.313 340 L HA 0.580 4.958 4.340 0.062 0.000 0.283 340 L C -0.539 176.389 176.870 0.096 0.000 1.013 340 L CA -0.557 54.325 54.840 0.070 0.000 0.816 340 L CB 1.186 43.294 42.059 0.082 0.000 1.236 340 L HN 0.514 nan 8.230 nan 0.000 0.419 341 I N 4.502 125.143 120.570 0.119 0.000 2.447 341 I HA 0.358 4.565 4.170 0.062 0.000 0.287 341 I C -2.286 173.944 176.117 0.189 0.000 1.023 341 I CA -2.086 59.327 61.300 0.187 0.000 1.083 341 I CB 2.407 40.545 38.000 0.230 0.000 1.245 341 I HN 0.286 nan 8.210 nan 0.000 0.434 342 P HA 0.023 nan 4.420 nan 0.000 0.269 342 P C 0.618 177.987 177.300 0.116 0.000 1.215 342 P CA -0.065 63.072 63.100 0.062 0.000 0.780 342 P CB 0.829 32.558 31.700 0.048 0.000 0.898 343 E N 1.958 122.143 120.200 -0.026 0.000 2.118 343 E HA -0.254 4.133 4.350 0.062 0.000 0.195 343 E C 1.350 178.041 176.600 0.151 0.000 0.992 343 E CA 1.153 57.537 56.400 -0.027 0.000 0.804 343 E CB 0.011 29.618 29.700 -0.155 0.000 0.741 343 E HN 0.496 nan 8.360 nan 0.000 0.458 344 E N -0.006 120.256 120.200 0.104 0.000 2.511 344 E HA -0.145 4.242 4.350 0.062 0.000 0.196 344 E C 0.278 176.950 176.600 0.120 0.000 1.066 344 E CA 0.693 57.162 56.400 0.115 0.000 0.871 344 E CB 0.164 29.906 29.700 0.071 0.000 0.863 344 E HN 0.224 nan 8.360 nan 0.000 0.520 345 D N 1.217 121.694 120.400 0.127 0.000 2.402 345 D HA 0.007 4.684 4.640 0.062 0.000 0.216 345 D C 1.307 177.651 176.300 0.074 0.000 1.128 345 D CA -0.031 54.015 54.000 0.076 0.000 0.833 345 D CB 0.261 41.106 40.800 0.074 0.000 0.971 345 D HN 0.381 nan 8.370 nan 0.000 0.503 346 E N -0.109 120.130 120.200 0.065 0.000 2.114 346 E HA -0.210 4.177 4.350 0.062 0.000 0.199 346 E C 0.479 176.823 176.600 -0.427 0.000 1.008 346 E CA 1.173 57.424 56.400 -0.249 0.000 0.810 346 E CB -0.005 29.467 29.700 -0.381 0.000 0.739 346 E HN 0.255 nan 8.360 nan 0.000 0.456 347 F N -0.272 119.679 119.950 0.002 0.000 2.639 347 F HA 0.257 4.821 4.527 0.062 0.000 0.300 347 F C 1.383 177.114 175.800 -0.115 0.000 1.109 347 F CA -0.159 57.817 58.000 -0.040 0.000 1.335 347 F CB 0.557 39.544 39.000 -0.022 0.000 1.014 347 F HN -0.165 nan 8.300 nan 0.000 0.537 348 K N -0.121 120.214 120.400 -0.108 0.000 2.444 348 K HA 0.124 4.481 4.320 0.062 0.000 0.193 348 K C -0.169 176.053 176.600 -0.629 0.000 1.024 348 K CA 0.292 56.365 56.287 -0.356 0.000 1.077 348 K CB 0.220 32.464 32.500 -0.428 0.000 0.833 348 K HN 0.141 nan 8.250 nan 0.000 0.517 349 F N 0.549 120.339 119.950 -0.265 0.000 2.518 349 F HA 0.086 4.650 4.527 0.062 0.000 0.338 349 F C 1.267 176.862 175.800 -0.340 0.000 1.065 349 F CA -1.165 56.582 58.000 -0.421 0.000 1.012 349 F CB 0.603 38.983 39.000 -1.034 0.000 1.297 349 F HN -0.038 nan 8.300 nan 0.000 0.489 350 D N -0.623 119.767 120.400 -0.017 0.000 2.328 350 D HA 0.045 4.722 4.640 0.062 0.000 0.226 350 D C -0.395 175.996 176.300 0.151 0.000 1.066 350 D CA 0.186 54.237 54.000 0.085 0.000 0.861 350 D CB -0.822 40.062 40.800 0.140 0.000 0.912 350 D HN 0.241 nan 8.370 nan 0.000 0.521 351 F N -1.603 118.427 119.950 0.134 0.000 2.611 351 F HA 0.534 5.098 4.527 0.061 0.000 0.324 351 F C -0.221 175.570 175.800 -0.015 0.000 1.061 351 F CA -1.737 56.265 58.000 0.003 0.000 0.954 351 F CB 0.912 39.869 39.000 -0.071 0.000 1.301 351 F HN -0.339 nan 8.300 nan 0.000 0.482 352 D N 1.673 122.083 120.400 0.016 0.000 2.308 352 D HA 0.190 4.867 4.640 0.062 0.000 0.251 352 D C 0.954 177.189 176.300 -0.110 0.000 1.127 352 D CA -0.044 53.910 54.000 -0.078 0.000 0.876 352 D CB 1.536 42.306 40.800 -0.050 0.000 1.176 352 D HN 0.748 nan 8.370 nan 0.000 0.446 353 L N 3.446 124.541 121.223 -0.215 0.000 2.265 353 L HA -0.113 4.264 4.340 0.062 0.000 0.215 353 L C 1.946 178.679 176.870 -0.227 0.000 1.117 353 L CA 0.665 55.363 54.840 -0.236 0.000 0.782 353 L CB -0.002 41.778 42.059 -0.466 0.000 0.914 353 L HN 0.455 nan 8.230 nan 0.000 0.441 354 L N -0.999 120.109 121.223 -0.192 0.000 2.592 354 L HA 0.063 4.440 4.340 0.062 0.000 0.227 354 L C 0.377 177.175 176.870 -0.121 0.000 1.127 354 L CA -0.151 54.642 54.840 -0.079 0.000 0.884 354 L CB -0.175 41.946 42.059 0.104 0.000 1.065 354 L HN 0.084 nan 8.230 nan 0.000 0.457 355 D N 1.872 121.963 120.400 -0.515 0.000 2.347 355 D HA 0.112 4.789 4.640 0.062 0.000 0.235 355 D C -1.589 174.482 176.300 -0.382 0.000 1.149 355 D CA -2.255 51.180 54.000 -0.942 0.000 0.850 355 D CB 1.531 41.520 40.800 -1.351 0.000 1.061 355 D HN -0.060 nan 8.370 nan 0.000 0.487 356 P HA -0.033 nan 4.420 nan 0.000 0.245 356 P C 0.868 178.076 177.300 -0.152 0.000 1.212 356 P CA 0.515 63.551 63.100 -0.107 0.000 0.774 356 P CB -0.069 31.662 31.700 0.051 0.000 0.999 357 T N -4.318 110.135 114.554 -0.169 0.000 3.129 357 T HA 0.133 4.520 4.350 0.062 0.000 0.251 357 T C 0.761 175.375 174.700 -0.144 0.000 1.117 357 T CA 0.029 62.039 62.100 -0.149 0.000 1.034 357 T CB -0.214 68.612 68.868 -0.069 0.000 0.968 357 T HN -0.150 nan 8.240 nan 0.000 0.526 358 K N 1.997 122.217 120.400 -0.300 0.000 2.221 358 K HA 0.576 4.933 4.320 0.062 0.000 0.258 358 K C -0.322 176.100 176.600 -0.297 0.000 0.944 358 K CA -0.902 55.084 56.287 -0.503 0.000 0.823 358 K CB 2.102 34.183 32.500 -0.699 0.000 1.113 358 K HN 0.319 nan 8.250 nan 0.000 0.431 359 L N -0.323 120.863 121.223 -0.061 0.000 2.358 359 L HA 0.655 5.032 4.340 0.062 0.000 0.268 359 L C -0.047 176.649 176.870 -0.290 0.000 1.032 359 L CA -0.478 54.279 54.840 -0.138 0.000 0.805 359 L CB 0.386 42.437 42.059 -0.013 0.000 1.253 359 L HN 0.440 nan 8.230 nan 0.000 0.452 360 I N 1.522 122.008 120.570 -0.139 0.000 2.307 360 I HA 0.374 4.581 4.170 0.062 0.000 0.289 360 I C -2.122 174.006 176.117 0.017 0.000 1.021 360 I CA -1.700 59.561 61.300 -0.065 0.000 1.224 360 I CB 1.213 39.198 38.000 -0.024 0.000 1.376 360 I HN 0.447 nan 8.210 nan 0.000 0.470 361 P HA 0.053 nan 4.420 nan 0.000 0.268 361 P C 0.292 177.653 177.300 0.101 0.000 1.204 361 P CA 0.008 63.148 63.100 0.067 0.000 0.768 361 P CB 0.603 32.336 31.700 0.054 0.000 0.842 362 E N 1.778 122.047 120.200 0.115 0.000 2.265 362 E HA -0.195 4.192 4.350 0.062 0.000 0.196 362 E C 1.306 177.958 176.600 0.086 0.000 0.996 362 E CA 0.785 57.242 56.400 0.094 0.000 0.832 362 E CB -0.014 29.743 29.700 0.095 0.000 0.756 362 E HN 0.520 nan 8.360 nan 0.000 0.491 363 E N 0.329 120.580 120.200 0.085 0.000 2.268 363 E HA -0.129 4.258 4.350 0.062 0.000 0.195 363 E C 2.008 178.671 176.600 0.104 0.000 0.995 363 E CA 0.688 57.136 56.400 0.080 0.000 0.836 363 E CB 0.119 29.859 29.700 0.067 0.000 0.763 363 E HN 0.383 nan 8.360 nan 0.000 0.491 364 L N -0.361 120.946 121.223 0.140 0.000 2.221 364 L HA 0.060 4.437 4.340 0.062 0.000 0.202 364 L C 0.655 177.648 176.870 0.205 0.000 1.074 364 L CA 0.425 55.387 54.840 0.204 0.000 0.795 364 L CB 0.463 42.714 42.059 0.320 0.000 0.960 364 L HN -0.203 nan 8.230 nan 0.000 0.458 365 V N 1.684 121.693 119.914 0.158 0.000 2.398 365 V HA 0.306 4.463 4.120 0.062 0.000 0.282 365 V C -2.335 173.808 176.094 0.081 0.000 1.014 365 V CA -1.429 60.950 62.300 0.131 0.000 0.838 365 V CB 1.572 33.468 31.823 0.120 0.000 1.018 365 V HN -0.024 nan 8.190 nan 0.000 0.432 366 P HA 0.163 nan 4.420 nan 0.000 0.272 366 P C -0.248 177.054 177.300 0.003 0.000 1.223 366 P CA 0.009 63.130 63.100 0.035 0.000 0.784 366 P CB 1.347 33.072 31.700 0.041 0.000 0.923 367 V N 3.336 123.216 119.914 -0.056 0.000 2.470 367 V HA 0.046 4.203 4.120 0.062 0.000 0.276 367 V C 0.970 177.055 176.094 -0.015 0.000 1.040 367 V CA 0.197 62.434 62.300 -0.105 0.000 1.008 367 V CB -0.003 31.670 31.823 -0.250 0.000 0.990 367 V HN 0.571 nan 8.190 nan 0.000 0.477 368 Q N 6.283 126.098 119.800 0.024 0.000 2.274 368 Q HA 0.333 4.710 4.340 0.062 0.000 0.256 368 Q C 0.384 176.383 176.000 -0.003 0.000 0.927 368 Q CA -0.830 54.990 55.803 0.028 0.000 0.939 368 Q CB 0.780 29.549 28.738 0.053 0.000 1.201 368 Q HN 0.832 nan 8.270 nan 0.000 0.426 369 R N 2.095 122.617 120.500 0.036 0.000 2.570 369 R HA 0.090 4.467 4.340 0.062 0.000 0.277 369 R C -0.516 175.821 176.300 0.062 0.000 1.039 369 R CA -0.299 55.865 56.100 0.107 0.000 1.065 369 R CB 0.630 31.052 30.300 0.204 0.000 0.964 369 R HN 0.483 nan 8.270 nan 0.000 0.428 370 V N 1.858 121.726 119.914 -0.076 0.000 3.137 370 V HA 0.359 4.516 4.120 0.062 0.000 0.236 370 V C 0.846 176.690 176.094 -0.417 0.000 1.260 370 V CA 1.028 63.153 62.300 -0.292 0.000 1.244 370 V CB 0.769 32.139 31.823 -0.756 0.000 1.016 370 V HN 1.078 nan 8.190 nan 0.000 0.477 371 G N -0.252 108.199 108.800 -0.582 0.000 2.342 371 G HA2 0.459 4.456 3.960 0.062 0.000 0.297 371 G HA3 0.459 4.456 3.960 0.062 0.000 0.297 371 G C -1.864 172.703 174.900 -0.555 0.000 1.313 371 G CA -0.535 43.866 45.100 -1.165 0.000 0.830 371 G HN 0.072 nan 8.290 nan 0.000 0.506 372 K N -0.357 119.754 120.400 -0.481 0.000 2.324 372 K HA 0.731 5.088 4.320 0.062 0.000 0.253 372 K C -0.848 175.829 176.600 0.128 0.000 0.932 372 K CA -0.787 55.513 56.287 0.022 0.000 0.799 372 K CB 1.977 34.536 32.500 0.097 0.000 1.154 372 K HN 0.584 nan 8.250 nan 0.000 0.425 373 M N 4.695 124.494 119.600 0.332 0.000 2.311 373 M HA 0.397 4.914 4.480 0.062 0.000 0.325 373 M C -1.735 174.568 176.300 0.004 0.000 1.061 373 M CA -0.788 54.635 55.300 0.206 0.000 0.957 373 M CB 1.698 34.451 32.600 0.254 0.000 1.646 373 M HN 0.359 nan 8.290 nan 0.000 0.434 374 V N 6.316 126.061 119.914 -0.282 0.000 2.487 374 V HA 0.448 4.605 4.120 0.062 0.000 0.298 374 V C -0.619 175.332 176.094 -0.238 0.000 1.028 374 V CA -0.704 61.433 62.300 -0.272 0.000 0.860 374 V CB 1.842 33.368 31.823 -0.495 0.000 0.991 374 V HN 0.803 nan 8.190 nan 0.000 0.427 375 L N 5.583 126.761 121.223 -0.075 0.000 2.265 375 L HA 0.518 4.895 4.340 0.062 0.000 0.289 375 L C 0.430 177.210 176.870 -0.150 0.000 1.033 375 L CA -0.293 54.503 54.840 -0.074 0.000 0.814 375 L CB 1.091 43.155 42.059 0.008 0.000 1.203 375 L HN 0.867 nan 8.230 nan 0.000 0.423 376 N N 2.634 121.157 118.700 -0.296 0.000 2.184 376 N HA 0.150 4.927 4.740 0.062 0.000 0.234 376 N C -0.107 175.205 175.510 -0.331 0.000 1.282 376 N CA -0.421 52.192 53.050 -0.728 0.000 0.877 376 N CB 0.794 38.558 38.487 -1.205 0.000 1.184 376 N HN 0.487 nan 8.380 nan 0.000 0.510 377 R N 0.114 120.537 120.500 -0.129 0.000 2.561 377 R HA 0.313 4.690 4.340 0.062 0.000 0.266 377 R C -1.300 174.950 176.300 -0.083 0.000 1.091 377 R CA -0.561 55.483 56.100 -0.092 0.000 0.927 377 R CB 1.277 31.531 30.300 -0.076 0.000 1.240 377 R HN 0.035 nan 8.270 nan 0.000 0.449 378 N N 3.168 121.703 118.700 -0.275 0.000 2.424 378 N HA 0.293 5.070 4.740 0.062 0.000 0.257 378 N C -2.266 173.181 175.510 -0.106 0.000 1.250 378 N CA -1.172 51.576 53.050 -0.503 0.000 0.946 378 N CB 0.590 38.114 38.487 -1.604 0.000 1.175 378 N HN 0.350 nan 8.380 nan 0.000 0.477 379 P HA 0.115 nan 4.420 nan 0.000 0.274 379 P C 0.038 177.522 177.300 0.308 0.000 1.260 379 P CA -0.094 63.194 63.100 0.313 0.000 0.793 379 P CB 1.139 33.068 31.700 0.381 0.000 1.048 380 D N -1.101 119.454 120.400 0.258 0.000 2.197 380 D HA -0.019 4.658 4.640 0.062 0.000 0.212 380 D C 0.497 176.976 176.300 0.298 0.000 0.963 380 D CA 1.310 55.458 54.000 0.247 0.000 0.864 380 D CB 0.147 41.032 40.800 0.142 0.000 1.009 380 D HN 0.393 nan 8.370 nan 0.000 0.479 381 N N -0.119 118.745 118.700 0.272 0.000 2.448 381 N HA 0.015 4.792 4.740 0.062 0.000 0.279 381 N C 0.140 175.864 175.510 0.356 0.000 1.025 381 N CA -0.326 52.900 53.050 0.293 0.000 0.898 381 N CB 1.616 40.242 38.487 0.231 0.000 1.303 381 N HN -0.135 nan 8.380 nan 0.000 0.495 382 F N 4.297 124.401 119.950 0.257 0.000 2.065 382 F HA -0.225 4.339 4.527 0.062 0.000 0.298 382 F C 1.723 177.662 175.800 0.231 0.000 1.112 382 F CA 1.616 59.771 58.000 0.257 0.000 1.212 382 F CB -0.120 39.005 39.000 0.210 0.000 0.975 382 F HN 0.611 nan 8.300 nan 0.000 0.476 383 F N 0.905 121.114 119.950 0.432 0.000 2.069 383 F HA -0.199 4.365 4.527 0.062 0.000 0.298 383 F C 2.311 178.180 175.800 0.115 0.000 1.113 383 F CA 1.885 60.049 58.000 0.273 0.000 1.214 383 F CB -0.995 38.134 39.000 0.215 0.000 0.978 383 F HN 0.002 nan 8.300 nan 0.000 0.474 384 A N -0.412 122.571 122.820 0.271 0.000 1.933 384 A HA -0.170 4.187 4.320 0.062 0.000 0.218 384 A C 2.095 179.626 177.584 -0.089 0.000 1.175 384 A CA 2.036 54.132 52.037 0.098 0.000 0.628 384 A CB -0.686 18.411 19.000 0.163 0.000 0.814 384 A HN 0.608 nan 8.150 nan 0.000 0.444 385 E N -1.443 118.719 120.200 -0.064 0.000 2.162 385 E HA -0.058 4.329 4.350 0.062 0.000 0.193 385 E C 1.954 178.467 176.600 -0.145 0.000 0.953 385 E CA 0.440 56.735 56.400 -0.175 0.000 0.849 385 E CB -0.097 29.550 29.700 -0.088 0.000 0.810 385 E HN 0.567 nan 8.360 nan 0.000 0.470 386 N N 1.354 119.969 118.700 -0.142 0.000 2.176 386 N HA -0.158 4.619 4.740 0.062 0.000 0.187 386 N C 1.823 177.172 175.510 -0.267 0.000 1.043 386 N CA 1.353 54.265 53.050 -0.230 0.000 0.851 386 N CB 0.036 37.986 38.487 -0.896 0.000 1.018 386 N HN -0.069 nan 8.380 nan 0.000 0.436 387 E N 0.797 120.778 120.200 -0.365 0.000 2.085 387 E HA -0.120 4.267 4.350 0.062 0.000 0.194 387 E C 1.588 178.008 176.600 -0.299 0.000 0.994 387 E CA 1.530 57.780 56.400 -0.250 0.000 0.801 387 E CB -0.155 29.414 29.700 -0.219 0.000 0.743 387 E HN 0.492 nan 8.360 nan 0.000 0.453 388 Q N -0.411 119.145 119.800 -0.407 0.000 2.403 388 Q HA 0.257 4.634 4.340 0.062 0.000 0.203 388 Q C -0.112 175.774 176.000 -0.189 0.000 0.932 388 Q CA 0.162 55.773 55.803 -0.319 0.000 0.945 388 Q CB 0.569 29.094 28.738 -0.355 0.000 1.045 388 Q HN 0.226 nan 8.270 nan 0.000 0.511 389 A N 1.069 123.803 122.820 -0.143 0.000 2.462 389 A HA 0.496 4.853 4.320 0.062 0.000 0.243 389 A C -0.188 177.305 177.584 -0.152 0.000 1.076 389 A CA 0.097 52.033 52.037 -0.169 0.000 0.773 389 A CB 0.325 19.295 19.000 -0.049 0.000 1.010 389 A HN 0.263 nan 8.150 nan 0.000 0.493 390 A N 2.074 124.749 122.820 -0.241 0.000 2.332 390 A HA 0.720 5.077 4.320 0.062 0.000 0.300 390 A C -0.821 176.658 177.584 -0.176 0.000 1.153 390 A CA -0.399 51.564 52.037 -0.123 0.000 0.764 390 A CB 0.370 19.297 19.000 -0.122 0.000 1.174 390 A HN 0.648 nan 8.150 nan 0.000 0.467 391 F N 0.781 120.746 119.950 0.025 0.000 2.507 391 F HA 0.691 5.255 4.527 0.061 0.000 0.327 391 F C 0.272 176.052 175.800 -0.032 0.000 1.068 391 F CA -0.145 57.844 58.000 -0.018 0.000 0.965 391 F CB 2.174 41.105 39.000 -0.115 0.000 1.192 391 F HN 0.761 nan 8.300 nan 0.000 0.476 392 H N 2.692 121.631 119.070 -0.219 0.000 3.137 392 H HA 0.260 4.859 4.556 0.071 0.000 0.336 392 H C -2.519 172.431 175.328 -0.629 0.000 1.055 392 H CA -1.582 54.102 56.048 -0.607 0.000 1.349 392 H CB 2.718 32.061 29.762 -0.698 0.000 1.939 392 H HN 0.191 nan 8.280 nan 0.000 0.487 393 P HA 0.038 nan 4.420 nan 0.000 0.237 393 P C 1.032 178.219 177.300 -0.188 0.000 1.178 393 P CA 1.110 63.895 63.100 -0.525 0.000 0.766 393 P CB 0.194 31.651 31.700 -0.405 0.000 0.876 394 G N -0.945 107.567 108.800 -0.481 0.000 2.744 394 G HA2 -0.130 3.867 3.960 0.062 0.000 0.211 394 G HA3 -0.130 3.867 3.960 0.062 0.000 0.211 394 G C 0.431 175.554 174.900 0.371 0.000 1.143 394 G CA -0.040 45.164 45.100 0.174 0.000 0.788 394 G HN 0.439 nan 8.290 nan 0.000 0.534 395 H N 0.791 119.986 119.070 0.209 0.000 3.092 395 H HA 0.328 4.918 4.556 0.057 0.000 0.263 395 H C 0.595 176.023 175.328 0.167 0.000 1.611 395 H CA -0.788 55.343 56.048 0.138 0.000 1.457 395 H CB -0.050 29.758 29.762 0.076 0.000 1.731 395 H HN 0.373 nan 8.280 nan 0.000 0.532 396 I N -0.449 120.245 120.570 0.208 0.000 3.205 396 I HA 0.671 4.878 4.170 0.062 0.000 0.310 396 I C -0.054 176.047 176.117 -0.027 0.000 1.089 396 I CA -1.359 59.984 61.300 0.071 0.000 1.023 396 I CB 1.764 39.690 38.000 -0.124 0.000 1.269 396 I HN 0.104 nan 8.210 nan 0.000 0.512 397 V N -2.310 117.571 119.914 -0.056 0.000 3.141 397 V HA 0.671 4.828 4.120 0.062 0.000 0.312 397 V C -2.850 173.349 176.094 0.176 0.000 1.157 397 V CA -2.532 59.801 62.300 0.054 0.000 1.041 397 V CB 0.984 32.820 31.823 0.021 0.000 1.071 397 V HN 0.631 nan 8.190 nan 0.000 0.441 398 P HA 0.385 nan 4.420 nan 0.000 0.264 398 P C 0.876 178.179 177.300 0.006 0.000 1.193 398 P CA 1.888 65.068 63.100 0.133 0.000 0.763 398 P CB 0.698 32.448 31.700 0.083 0.000 0.810 399 G N 1.677 110.437 108.800 -0.067 0.000 2.218 399 G HA2 -0.156 3.841 3.960 0.062 0.000 0.216 399 G HA3 -0.156 3.841 3.960 0.062 0.000 0.216 399 G C -0.259 174.559 174.900 -0.136 0.000 0.994 399 G CA -0.410 44.628 45.100 -0.105 0.000 0.637 399 G HN 0.448 nan 8.290 nan 0.000 0.505 400 L N -0.094 121.062 121.223 -0.111 0.000 2.309 400 L HA 0.930 5.307 4.340 0.062 0.000 0.261 400 L C -0.465 176.354 176.870 -0.084 0.000 1.021 400 L CA -1.070 53.682 54.840 -0.146 0.000 0.823 400 L CB 2.129 44.028 42.059 -0.267 0.000 1.366 400 L HN 0.104 nan 8.230 nan 0.000 0.423 401 D N -0.779 119.553 120.400 -0.113 0.000 2.692 401 D HA 0.454 5.131 4.640 0.062 0.000 0.303 401 D C -1.342 174.885 176.300 -0.120 0.000 1.278 401 D CA -0.360 53.527 54.000 -0.188 0.000 0.852 401 D CB 1.827 42.605 40.800 -0.037 0.000 1.375 401 D HN 0.134 nan 8.370 nan 0.000 0.453 402 F N -0.180 119.898 119.950 0.213 0.000 2.364 402 F HA 0.528 5.093 4.527 0.063 0.000 0.316 402 F C 1.449 177.267 175.800 0.030 0.000 1.133 402 F CA -0.303 57.743 58.000 0.078 0.000 1.051 402 F CB 1.305 40.323 39.000 0.030 0.000 1.342 402 F HN 0.203 nan 8.300 nan 0.000 0.507 403 T N -3.160 111.479 114.554 0.141 0.000 2.742 403 T HA 0.316 4.703 4.350 0.062 0.000 0.282 403 T C -0.097 174.629 174.700 0.044 0.000 1.025 403 T CA -0.984 61.186 62.100 0.116 0.000 1.020 403 T CB 1.212 70.127 68.868 0.078 0.000 1.317 403 T HN 0.353 nan 8.240 nan 0.000 0.538 404 N N 1.291 120.024 118.700 0.056 0.000 2.362 404 N HA 0.081 4.859 4.740 0.062 0.000 0.204 404 N C -0.037 175.475 175.510 0.002 0.000 1.166 404 N CA -0.002 53.062 53.050 0.023 0.000 0.831 404 N CB -0.424 38.095 38.487 0.053 0.000 1.008 404 N HN 0.688 nan 8.380 nan 0.000 0.472 405 D N 2.108 122.490 120.400 -0.029 0.000 2.662 405 D HA -0.084 4.593 4.640 0.062 0.000 0.233 405 D C -1.435 174.849 176.300 -0.025 0.000 1.129 405 D CA -0.781 53.223 54.000 0.007 0.000 0.851 405 D CB 1.265 42.012 40.800 -0.089 0.000 1.152 405 D HN 0.162 nan 8.370 nan 0.000 0.507 406 P HA -0.058 nan 4.420 nan 0.000 0.241 406 P C 1.421 178.735 177.300 0.023 0.000 1.191 406 P CA 0.006 63.118 63.100 0.020 0.000 0.771 406 P CB 0.505 32.212 31.700 0.012 0.000 0.929 407 L N -0.130 121.122 121.223 0.049 0.000 2.145 407 L HA 0.050 4.427 4.340 0.062 0.000 0.201 407 L C 2.371 179.158 176.870 -0.138 0.000 1.075 407 L CA 1.106 55.969 54.840 0.039 0.000 0.773 407 L CB -1.470 40.702 42.059 0.187 0.000 0.936 407 L HN -0.183 nan 8.230 nan 0.000 0.451 408 L N -0.498 120.460 121.223 -0.440 0.000 2.042 408 L HA -0.235 4.143 4.340 0.062 0.000 0.210 408 L C 2.439 179.055 176.870 -0.422 0.000 1.076 408 L CA 1.797 56.175 54.840 -0.771 0.000 0.749 408 L CB -0.851 40.480 42.059 -1.213 0.000 0.893 408 L HN 0.367 nan 8.230 nan 0.000 0.432 409 Q N -0.134 119.490 119.800 -0.295 0.000 2.112 409 Q HA -0.175 4.202 4.340 0.062 0.000 0.206 409 Q C 2.115 178.033 176.000 -0.137 0.000 0.987 409 Q CA 1.854 57.527 55.803 -0.216 0.000 0.858 409 Q CB -0.816 27.846 28.738 -0.126 0.000 0.905 409 Q HN 0.716 nan 8.270 nan 0.000 0.420 410 G N 0.478 109.228 108.800 -0.084 0.000 2.403 410 G HA2 -0.211 3.786 3.960 0.062 0.000 0.216 410 G HA3 -0.211 3.786 3.960 0.062 0.000 0.216 410 G C 1.520 176.436 174.900 0.026 0.000 1.154 410 G CA 0.245 45.341 45.100 -0.005 0.000 0.784 410 G HN 0.246 nan 8.290 nan 0.000 0.538 411 R N -0.021 120.444 120.500 -0.058 0.000 2.103 411 R HA -0.056 4.321 4.340 0.062 0.000 0.242 411 R C 2.547 178.938 176.300 0.153 0.000 1.142 411 R CA 1.235 57.363 56.100 0.048 0.000 0.960 411 R CB -0.589 29.687 30.300 -0.040 0.000 0.858 411 R HN 0.347 nan 8.270 nan 0.000 0.439 412 L N -0.408 120.793 121.223 -0.038 0.000 2.129 412 L HA -0.221 4.157 4.340 0.062 0.000 0.212 412 L C 2.319 179.338 176.870 0.248 0.000 1.087 412 L CA 1.154 56.009 54.840 0.025 0.000 0.757 412 L CB -0.499 41.419 42.059 -0.235 0.000 0.896 412 L HN 0.165 nan 8.230 nan 0.000 0.434 413 F N 0.115 120.103 119.950 0.063 0.000 2.163 413 F HA -0.194 4.354 4.527 0.034 0.000 0.297 413 F C 2.775 178.614 175.800 0.066 0.000 1.094 413 F CA 1.591 59.621 58.000 0.050 0.000 1.290 413 F CB -0.227 38.781 39.000 0.012 0.000 1.017 413 F HN -0.038 nan 8.300 nan 0.000 0.483 414 S N -0.686 115.038 115.700 0.040 0.000 2.355 414 S HA -0.219 4.288 4.470 0.062 0.000 0.222 414 S C 2.048 176.522 174.600 -0.210 0.000 1.031 414 S CA 1.494 59.597 58.200 -0.162 0.000 0.993 414 S CB -0.807 62.312 63.200 -0.135 0.000 0.859 414 S HN 0.535 nan 8.310 nan 0.000 0.453 415 Y N 1.900 122.220 120.300 0.033 0.000 2.421 415 Y HA -0.061 4.523 4.550 0.057 0.000 0.292 415 Y C 2.952 178.549 175.900 -0.505 0.000 1.136 415 Y CA 1.247 59.401 58.100 0.089 0.000 1.255 415 Y CB -0.574 38.907 38.460 1.702 0.000 0.991 415 Y HN 0.488 nan 8.280 nan 0.000 0.552 416 T N -2.712 111.459 114.554 -0.638 0.000 2.894 416 T HA -0.144 4.243 4.350 0.062 0.000 0.258 416 T C 1.502 175.996 174.700 -0.343 0.000 1.043 416 T CA 1.132 62.965 62.100 -0.446 0.000 1.141 416 T CB -0.521 68.147 68.868 -0.333 0.000 0.873 416 T HN 0.235 nan 8.240 nan 0.000 0.449 417 D N 1.502 121.635 120.400 -0.444 0.000 2.106 417 D HA -0.166 4.512 4.640 0.062 0.000 0.191 417 D C 2.285 178.423 176.300 -0.269 0.000 0.997 417 D CA 2.021 55.775 54.000 -0.411 0.000 0.834 417 D CB -0.872 39.484 40.800 -0.740 0.000 0.956 417 D HN 0.360 nan 8.370 nan 0.000 0.448 418 T N -1.022 113.364 114.554 -0.279 0.000 2.849 418 T HA -0.150 4.237 4.350 0.062 0.000 0.270 418 T C 1.578 176.153 174.700 -0.210 0.000 1.066 418 T CA 1.247 63.225 62.100 -0.203 0.000 1.130 418 T CB -0.235 68.512 68.868 -0.201 0.000 0.864 418 T HN 0.164 nan 8.240 nan 0.000 0.481 419 Q N 0.470 120.073 119.800 -0.327 0.000 2.364 419 Q HA 0.050 4.427 4.340 0.062 0.000 0.207 419 Q C 2.165 178.050 176.000 -0.192 0.000 0.970 419 Q CA 0.537 56.096 55.803 -0.407 0.000 0.888 419 Q CB -0.351 27.743 28.738 -1.074 0.000 0.951 419 Q HN 0.513 nan 8.270 nan 0.000 0.469 420 I N 0.909 121.421 120.570 -0.097 0.000 2.394 420 I HA -0.185 4.022 4.170 0.062 0.000 0.251 420 I C 2.262 178.388 176.117 0.015 0.000 1.136 420 I CA 1.507 62.813 61.300 0.011 0.000 1.425 420 I CB -1.178 36.831 38.000 0.014 0.000 1.079 420 I HN 0.184 nan 8.210 nan 0.000 0.425 421 S N 0.366 116.057 115.700 -0.015 0.000 2.412 421 S HA -0.070 4.437 4.470 0.062 0.000 0.223 421 S C 2.180 176.780 174.600 -0.000 0.000 1.048 421 S CA 0.157 58.360 58.200 0.005 0.000 0.954 421 S CB -0.352 62.850 63.200 0.004 0.000 0.840 421 S HN 0.295 nan 8.310 nan 0.000 0.503 422 R N 0.879 121.357 120.500 -0.037 0.000 2.081 422 R HA 0.165 4.543 4.340 0.062 0.000 0.235 422 R C 1.362 177.645 176.300 -0.028 0.000 1.131 422 R CA 1.404 57.482 56.100 -0.036 0.000 0.960 422 R CB -0.230 30.024 30.300 -0.077 0.000 0.856 422 R HN 0.458 nan 8.270 nan 0.000 0.436 423 L N -0.851 120.346 121.223 -0.044 0.000 2.857 423 L HA 0.336 4.713 4.340 0.062 0.000 0.249 423 L C 0.833 177.734 176.870 0.051 0.000 1.172 423 L CA 0.276 55.106 54.840 -0.018 0.000 0.980 423 L CB 1.159 43.196 42.059 -0.037 0.000 1.299 423 L HN 0.558 nan 8.230 nan 0.000 0.535 424 G N 0.046 108.896 108.800 0.084 0.000 2.179 424 G HA2 -0.143 3.854 3.960 0.062 0.000 0.260 424 G HA3 -0.143 3.854 3.960 0.062 0.000 0.260 424 G C 0.471 175.503 174.900 0.220 0.000 0.977 424 G CA 0.082 45.286 45.100 0.173 0.000 0.641 424 G HN 0.784 nan 8.290 nan 0.000 0.533 425 G N -1.631 107.289 108.800 0.201 0.000 2.345 425 G HA2 0.588 4.585 3.960 0.062 0.000 0.285 425 G HA3 0.588 4.585 3.960 0.062 0.000 0.285 425 G C -2.383 172.680 174.900 0.271 0.000 1.297 425 G CA 0.392 45.608 45.100 0.195 0.000 0.875 425 G HN 0.473 nan 8.290 nan 0.000 0.506 426 P HA 0.160 nan 4.420 nan 0.000 0.255 426 P C 0.231 177.568 177.300 0.062 0.000 1.248 426 P CA 0.221 63.440 63.100 0.198 0.000 0.807 426 P CB 0.229 31.993 31.700 0.108 0.000 1.150 427 N N 0.448 119.195 118.700 0.078 0.000 2.322 427 N HA 0.050 4.828 4.740 0.062 0.000 0.216 427 N C 1.129 176.518 175.510 -0.200 0.000 1.144 427 N CA -0.127 52.869 53.050 -0.091 0.000 0.830 427 N CB -0.625 37.834 38.487 -0.046 0.000 1.034 427 N HN 0.270 nan 8.380 nan 0.000 0.484 428 F N 0.972 120.917 119.950 -0.009 0.000 2.307 428 F HA -0.127 4.427 4.527 0.045 0.000 0.301 428 F C 2.214 177.949 175.800 -0.108 0.000 1.076 428 F CA 0.884 58.846 58.000 -0.063 0.000 1.383 428 F CB -0.821 38.161 39.000 -0.030 0.000 1.055 428 F HN 0.180 nan 8.300 nan 0.000 0.526 429 H N 0.361 119.086 119.070 -0.574 0.000 2.546 429 H HA 0.076 4.669 4.556 0.060 0.000 0.277 429 H C 0.868 176.038 175.328 -0.264 0.000 1.004 429 H CA 1.263 57.050 56.048 -0.436 0.000 1.231 429 H CB -0.757 28.599 29.762 -0.677 0.000 1.382 429 H HN 0.537 nan 8.280 nan 0.000 0.580 430 E N 0.855 120.622 120.200 -0.722 0.000 2.474 430 E HA 0.186 4.573 4.350 0.062 0.000 0.194 430 E C 0.316 176.793 176.600 -0.204 0.000 1.041 430 E CA -0.257 55.889 56.400 -0.424 0.000 0.874 430 E CB 0.573 30.026 29.700 -0.411 0.000 0.914 430 E HN 0.432 nan 8.360 nan 0.000 0.498 431 I N 2.327 122.803 120.570 -0.157 0.000 2.556 431 I HA -0.018 4.190 4.170 0.062 0.000 0.284 431 I C -1.578 174.477 176.117 -0.104 0.000 1.114 431 I CA -1.689 59.548 61.300 -0.103 0.000 1.418 431 I CB 0.869 38.824 38.000 -0.076 0.000 1.394 431 I HN -0.207 nan 8.210 nan 0.000 0.552 432 P HA -0.215 nan 4.420 nan 0.000 0.215 432 P C 1.727 178.952 177.300 -0.124 0.000 1.157 432 P CA 1.155 64.196 63.100 -0.099 0.000 0.874 432 P CB 0.187 31.835 31.700 -0.086 0.000 0.790 433 I N -0.527 119.942 120.570 -0.168 0.000 2.335 433 I HA -0.209 3.998 4.170 0.062 0.000 0.251 433 I C 1.285 177.329 176.117 -0.121 0.000 1.129 433 I CA 1.733 62.885 61.300 -0.246 0.000 1.402 433 I CB -0.616 37.122 38.000 -0.437 0.000 1.069 433 I HN -0.106 nan 8.210 nan 0.000 0.424 434 N N 0.675 119.318 118.700 -0.094 0.000 2.412 434 N HA 0.038 4.815 4.740 0.062 0.000 0.184 434 N C 0.250 175.764 175.510 0.007 0.000 1.101 434 N CA 0.205 53.229 53.050 -0.044 0.000 0.881 434 N CB -0.110 38.369 38.487 -0.013 0.000 0.969 434 N HN 0.384 nan 8.380 nan 0.000 0.459 435 R N 1.561 122.062 120.500 0.002 0.000 2.537 435 R HA 0.161 4.539 4.340 0.062 0.000 0.280 435 R C -2.225 174.139 176.300 0.107 0.000 1.058 435 R CA -1.228 54.877 56.100 0.008 0.000 1.057 435 R CB -0.063 30.227 30.300 -0.016 0.000 0.973 435 R HN 0.017 nan 8.270 nan 0.000 0.438 436 P HA -0.022 nan 4.420 nan 0.000 0.269 436 P C 0.574 177.952 177.300 0.130 0.000 1.215 436 P CA 0.028 63.214 63.100 0.143 0.000 0.780 436 P CB 0.690 32.430 31.700 0.067 0.000 0.898 437 T N -1.567 113.081 114.554 0.157 0.000 3.054 437 T HA 0.226 4.613 4.350 0.062 0.000 0.259 437 T C 0.942 175.694 174.700 0.087 0.000 1.092 437 T CA 0.087 62.232 62.100 0.075 0.000 1.121 437 T CB -0.358 68.539 68.868 0.049 0.000 0.912 437 T HN 0.461 nan 8.240 nan 0.000 0.489 438 A N 3.207 126.093 122.820 0.111 0.000 2.425 438 A HA 0.529 4.886 4.320 0.062 0.000 0.242 438 A C -2.085 175.564 177.584 0.109 0.000 1.077 438 A CA -1.278 50.821 52.037 0.104 0.000 0.781 438 A CB -0.404 18.660 19.000 0.107 0.000 1.020 438 A HN 0.302 nan 8.150 nan 0.000 0.494 439 P HA 0.297 nan 4.420 nan 0.000 0.269 439 P C -1.063 176.321 177.300 0.140 0.000 1.209 439 P CA 0.568 63.743 63.100 0.124 0.000 0.776 439 P CB 0.147 31.965 31.700 0.196 0.000 0.876 440 Y N 0.641 120.842 120.300 -0.164 0.000 2.386 440 Y HA 0.656 5.243 4.550 0.062 0.000 0.334 440 Y C -1.485 174.091 175.900 -0.539 0.000 1.002 440 Y CA -0.953 57.027 58.100 -0.201 0.000 1.068 440 Y CB 1.486 39.850 38.460 -0.160 0.000 1.203 440 Y HN 0.412 nan 8.280 nan 0.000 0.443 441 H N 3.925 122.876 119.070 -0.197 0.000 2.966 441 H HA 0.510 5.103 4.556 0.062 0.000 0.347 441 H C -1.189 174.011 175.328 -0.214 0.000 1.048 441 H CA -0.797 55.057 56.048 -0.324 0.000 1.295 441 H CB 1.552 31.161 29.762 -0.255 0.000 1.744 441 H HN 0.894 nan 8.280 nan 0.000 0.513 442 N N 0.441 119.023 118.700 -0.196 0.000 3.449 442 N HA 0.200 4.977 4.740 0.062 0.000 0.312 442 N C -1.090 174.172 175.510 -0.414 0.000 1.582 442 N CA -0.939 51.947 53.050 -0.274 0.000 0.850 442 N CB 0.640 39.133 38.487 0.010 0.000 1.822 442 N HN 0.269 nan 8.380 nan 0.000 0.577 443 F N -0.388 119.602 119.950 0.067 0.000 2.664 443 F HA 0.353 4.913 4.527 0.055 0.000 0.303 443 F C 0.486 176.327 175.800 0.068 0.000 1.092 443 F CA -0.305 57.730 58.000 0.057 0.000 1.305 443 F CB 0.108 39.136 39.000 0.047 0.000 1.054 443 F HN 0.146 nan 8.300 nan 0.000 0.565 444 Q N 1.674 121.578 119.800 0.173 0.000 2.352 444 Q HA 0.380 4.757 4.340 0.062 0.000 0.260 444 Q C 0.044 176.117 176.000 0.123 0.000 0.976 444 Q CA 0.026 55.910 55.803 0.135 0.000 0.881 444 Q CB 0.993 29.786 28.738 0.091 0.000 1.235 444 Q HN 0.088 nan 8.270 nan 0.000 0.419 445 R N 1.786 122.352 120.500 0.111 0.000 2.799 445 R HA 0.370 4.747 4.340 0.062 0.000 0.270 445 R C -0.662 175.684 176.300 0.077 0.000 1.010 445 R CA -0.634 55.523 56.100 0.095 0.000 0.916 445 R CB 1.293 31.651 30.300 0.098 0.000 1.228 445 R HN 0.722 nan 8.270 nan 0.000 0.469 446 D N -0.212 120.226 120.400 0.064 0.000 3.455 446 D HA -0.163 4.514 4.640 0.062 0.000 0.216 446 D C 0.312 176.639 176.300 0.046 0.000 1.510 446 D CA 1.879 55.907 54.000 0.047 0.000 1.128 446 D CB -1.095 39.730 40.800 0.041 0.000 0.680 446 D HN 0.902 nan 8.370 nan 0.000 0.828 447 G N -1.126 107.694 108.800 0.033 0.000 2.716 447 G HA2 0.182 4.180 3.960 0.062 0.000 0.686 447 G HA3 0.182 4.180 3.960 0.062 0.000 0.686 447 G C -0.184 174.716 174.900 0.000 0.000 1.337 447 G CA 0.129 45.247 45.100 0.029 0.000 0.829 447 G HN 0.791 nan 8.290 nan 0.000 0.599 448 M N 2.278 121.858 119.600 -0.032 0.000 2.252 448 M HA 0.395 4.912 4.480 0.062 0.000 0.321 448 M C 1.467 177.702 176.300 -0.108 0.000 1.070 448 M CA 0.968 56.158 55.300 -0.182 0.000 1.143 448 M CB -0.416 32.003 32.600 -0.302 0.000 1.498 448 M HN 1.198 nan 8.290 nan 0.000 0.445 449 H N -0.032 119.044 119.070 0.010 0.000 2.862 449 H HA -0.167 4.425 4.556 0.060 0.000 0.290 449 H C -0.339 174.982 175.328 -0.012 0.000 1.211 449 H CA 0.765 56.814 56.048 0.002 0.000 1.140 449 H CB -1.904 27.861 29.762 0.005 0.000 1.341 449 H HN 0.600 nan 8.280 nan 0.000 0.392 450 R N 1.227 121.762 120.500 0.057 0.000 2.370 450 R HA 0.133 4.510 4.340 0.062 0.000 0.309 450 R C 1.293 177.609 176.300 0.027 0.000 1.059 450 R CA -0.103 56.019 56.100 0.036 0.000 0.981 450 R CB 0.341 30.659 30.300 0.030 0.000 0.972 450 R HN 0.104 nan 8.270 nan 0.000 0.437 451 M N 2.503 122.107 119.600 0.006 0.000 2.412 451 M HA 0.224 4.741 4.480 0.062 0.000 0.263 451 M C 0.920 177.219 176.300 -0.002 0.000 1.122 451 M CA 0.965 56.264 55.300 -0.001 0.000 1.179 451 M CB -0.744 31.841 32.600 -0.026 0.000 1.335 451 M HN 0.695 nan 8.290 nan 0.000 0.465 452 G N 1.810 110.612 108.800 0.003 0.000 2.378 452 G HA2 0.433 4.430 3.960 0.062 0.000 0.255 452 G HA3 0.433 4.430 3.960 0.062 0.000 0.255 452 G C -0.378 174.521 174.900 -0.001 0.000 1.270 452 G CA -0.407 44.692 45.100 -0.002 0.000 0.876 452 G HN 0.308 nan 8.290 nan 0.000 0.521 453 I N 2.927 123.490 120.570 -0.012 0.000 2.307 453 I HA 0.103 4.310 4.170 0.062 0.000 0.287 453 I C -0.302 175.807 176.117 -0.013 0.000 1.054 453 I CA -0.564 60.733 61.300 -0.005 0.000 1.218 453 I CB 0.909 38.907 38.000 -0.004 0.000 1.398 453 I HN 0.343 nan 8.210 nan 0.000 0.475 454 D N 4.755 125.152 120.400 -0.005 0.000 2.351 454 D HA 0.062 4.739 4.640 0.062 0.000 0.251 454 D C 1.234 177.536 176.300 0.004 0.000 1.137 454 D CA 0.250 54.244 54.000 -0.010 0.000 0.879 454 D CB 1.835 42.635 40.800 0.001 0.000 1.181 454 D HN 0.563 nan 8.370 nan 0.000 0.448 455 T N -0.842 113.711 114.554 -0.003 0.000 3.060 455 T HA -0.057 4.330 4.350 0.062 0.000 0.249 455 T C 0.834 175.545 174.700 0.018 0.000 1.079 455 T CA -0.514 61.590 62.100 0.006 0.000 1.013 455 T CB 0.178 69.043 68.868 -0.005 0.000 0.975 455 T HN 0.121 nan 8.240 nan 0.000 0.518 456 N N 3.314 122.027 118.700 0.021 0.000 2.447 456 N HA 0.105 4.882 4.740 0.062 0.000 0.263 456 N C -1.630 173.923 175.510 0.070 0.000 1.226 456 N CA -1.583 51.493 53.050 0.043 0.000 0.906 456 N CB 1.503 40.018 38.487 0.047 0.000 1.060 456 N HN 0.057 nan 8.380 nan 0.000 0.468 457 P HA -0.025 nan 4.420 nan 0.000 0.219 457 P C -0.489 176.873 177.300 0.104 0.000 1.146 457 P CA 0.875 64.022 63.100 0.080 0.000 0.808 457 P CB 0.186 31.928 31.700 0.070 0.000 0.779 458 A N 0.829 123.702 122.820 0.088 0.000 2.312 458 A HA 0.418 4.775 4.320 0.062 0.000 0.326 458 A C 0.435 178.129 177.584 0.184 0.000 1.172 458 A CA -0.666 51.376 52.037 0.008 0.000 0.821 458 A CB -0.041 18.788 19.000 -0.285 0.000 1.166 458 A HN 0.285 nan 8.150 nan 0.000 0.493 459 N N 0.335 119.173 118.700 0.231 0.000 2.416 459 N HA 0.411 5.188 4.740 0.062 0.000 0.267 459 N C -0.932 174.746 175.510 0.280 0.000 1.294 459 N CA -0.406 52.864 53.050 0.368 0.000 0.891 459 N CB 0.327 38.980 38.487 0.277 0.000 1.238 459 N HN 0.682 nan 8.380 nan 0.000 0.508 460 Y N -1.336 118.827 120.300 -0.229 0.000 2.689 460 Y HA 0.668 5.253 4.550 0.057 0.000 0.333 460 Y C -1.626 173.623 175.900 -1.086 0.000 1.208 460 Y CA -1.381 56.411 58.100 -0.513 0.000 1.055 460 Y CB 0.903 39.226 38.460 -0.229 0.000 1.304 460 Y HN 0.098 nan 8.280 nan 0.000 0.455 461 E N 0.405 120.127 120.200 -0.797 0.000 2.366 461 E HA 0.653 5.040 4.350 0.062 0.000 0.278 461 E C -3.232 173.259 176.600 -0.182 0.000 0.923 461 E CA -1.958 54.059 56.400 -0.639 0.000 0.761 461 E CB 1.790 31.056 29.700 -0.724 0.000 1.231 461 E HN 0.559 nan 8.360 nan 0.000 0.443 462 P HA 0.314 nan 4.420 nan 0.000 0.278 462 P C -1.296 175.956 177.300 -0.079 0.000 1.238 462 P CA -0.508 62.523 63.100 -0.115 0.000 0.794 462 P CB 0.562 32.230 31.700 -0.053 0.000 0.955 463 N N -1.466 117.107 118.700 -0.212 0.000 2.229 463 N HA 0.320 5.097 4.740 0.062 0.000 0.298 463 N C 0.380 175.838 175.510 -0.086 0.000 1.114 463 N CA -0.770 52.167 53.050 -0.188 0.000 0.776 463 N CB 1.466 39.546 38.487 -0.679 0.000 1.501 463 N HN 0.184 nan 8.380 nan 0.000 0.474 464 S N 0.945 116.643 115.700 -0.003 0.000 2.470 464 S HA -0.041 4.466 4.470 0.062 0.000 0.222 464 S C 1.586 176.199 174.600 0.021 0.000 1.024 464 S CA 0.175 58.377 58.200 0.003 0.000 0.931 464 S CB -0.828 62.386 63.200 0.024 0.000 0.791 464 S HN 0.720 nan 8.310 nan 0.000 0.513 465 I N -0.549 120.042 120.570 0.035 0.000 2.756 465 I HA 0.184 4.391 4.170 0.062 0.000 0.262 465 I C 1.328 177.478 176.117 0.055 0.000 1.225 465 I CA 1.356 62.689 61.300 0.054 0.000 1.472 465 I CB -0.412 37.640 38.000 0.088 0.000 1.094 465 I HN 0.202 nan 8.210 nan 0.000 0.454 466 N N 1.089 119.817 118.700 0.048 0.000 2.291 466 N HA 0.036 4.813 4.740 0.062 0.000 0.244 466 N C -0.092 175.529 175.510 0.185 0.000 1.216 466 N CA -0.051 53.071 53.050 0.120 0.000 0.879 466 N CB 0.067 38.638 38.487 0.141 0.000 1.167 466 N HN 0.214 nan 8.380 nan 0.000 0.515 467 D N 0.826 121.277 120.400 0.084 0.000 2.751 467 D HA -0.255 4.422 4.640 0.062 0.000 0.233 467 D C -0.107 176.073 176.300 -0.200 0.000 1.149 467 D CA 1.038 55.046 54.000 0.012 0.000 0.682 467 D CB -1.383 39.506 40.800 0.149 0.000 1.068 467 D HN 0.479 nan 8.370 nan 0.000 0.429 468 N N -1.687 116.929 118.700 -0.141 0.000 2.800 468 N HA -0.246 4.531 4.740 0.062 0.000 0.250 468 N C -0.767 174.647 175.510 -0.159 0.000 1.078 468 N CA 1.412 54.344 53.050 -0.195 0.000 0.804 468 N CB -1.313 37.011 38.487 -0.273 0.000 1.135 468 N HN 0.548 nan 8.380 nan 0.000 0.565 469 W N 1.015 122.370 121.300 0.092 0.000 2.375 469 W HA 0.454 5.150 4.660 0.060 0.000 0.336 469 W C -1.648 174.918 176.519 0.080 0.000 1.160 469 W CA -1.617 55.766 57.345 0.062 0.000 1.266 469 W CB 0.583 30.028 29.460 -0.025 0.000 1.195 469 W HN -0.050 nan 8.180 nan 0.000 0.599 470 P HA 0.196 nan 4.420 nan 0.000 0.275 470 P C -0.726 176.707 177.300 0.222 0.000 1.228 470 P CA -0.123 63.112 63.100 0.225 0.000 0.786 470 P CB 0.989 32.667 31.700 -0.037 0.000 0.927 471 R N 1.074 121.689 120.500 0.191 0.000 2.604 471 R HA 0.314 4.691 4.340 0.062 0.000 0.287 471 R C 0.365 176.698 176.300 0.056 0.000 0.970 471 R CA -0.829 55.258 56.100 -0.021 0.000 0.946 471 R CB 1.210 31.282 30.300 -0.379 0.000 1.127 471 R HN 0.495 nan 8.270 nan 0.000 0.473 472 E N 0.669 120.892 120.200 0.038 0.000 2.438 472 E HA 0.000 4.388 4.350 0.062 0.000 0.261 472 E C -0.542 176.082 176.600 0.039 0.000 1.103 472 E CA 0.765 57.197 56.400 0.053 0.000 0.959 472 E CB 0.623 30.342 29.700 0.032 0.000 0.958 472 E HN 0.352 nan 8.360 nan 0.000 0.447 473 T N 3.513 118.102 114.554 0.057 0.000 2.879 473 T HA 0.328 4.715 4.350 0.062 0.000 0.290 473 T C -2.429 172.295 174.700 0.040 0.000 0.993 473 T CA -1.485 60.646 62.100 0.052 0.000 0.975 473 T CB 1.527 70.438 68.868 0.072 0.000 0.981 473 T HN 0.239 nan 8.240 nan 0.000 0.439 474 P HA 0.216 nan 4.420 nan 0.000 0.269 474 P C -2.402 174.904 177.300 0.009 0.000 1.217 474 P CA -1.084 62.023 63.100 0.012 0.000 0.783 474 P CB -0.212 31.491 31.700 0.004 0.000 0.898 475 P HA 0.332 nan 4.420 nan 0.000 0.274 475 P C -0.095 177.193 177.300 -0.021 0.000 1.237 475 P CA 0.222 63.306 63.100 -0.027 0.000 0.793 475 P CB 0.875 32.538 31.700 -0.063 0.000 0.977 476 G N 0.250 109.036 108.800 -0.023 0.000 2.427 476 G HA2 0.339 4.336 3.960 0.062 0.000 0.306 476 G HA3 0.339 4.336 3.960 0.062 0.000 0.306 476 G C -2.609 172.279 174.900 -0.019 0.000 1.280 476 G CA -0.629 44.461 45.100 -0.017 0.000 0.837 476 G HN 0.103 nan 8.290 nan 0.000 0.482 477 P HA 0.154 nan 4.420 nan 0.000 0.219 477 P C 0.105 177.400 177.300 -0.008 0.000 1.150 477 P CA 1.131 64.222 63.100 -0.014 0.000 0.814 477 P CB 0.156 31.851 31.700 -0.009 0.000 0.787 478 K N -1.791 118.611 120.400 0.004 0.000 2.542 478 K HA 0.390 4.747 4.320 0.062 0.000 0.259 478 K C -0.277 176.339 176.600 0.027 0.000 0.932 478 K CA -0.865 55.431 56.287 0.016 0.000 0.820 478 K CB 1.916 34.427 32.500 0.018 0.000 1.345 478 K HN -0.359 nan 8.250 nan 0.000 0.432 479 R N -0.571 119.953 120.500 0.040 0.000 3.875 479 R HA -0.135 4.243 4.340 0.062 0.000 0.321 479 R C 0.002 176.332 176.300 0.051 0.000 1.196 479 R CA 1.024 57.155 56.100 0.051 0.000 0.868 479 R CB -2.164 28.164 30.300 0.048 0.000 1.333 479 R HN 0.963 nan 8.270 nan 0.000 0.522 480 G N -0.597 108.228 108.800 0.042 0.000 2.502 480 G HA2 0.582 4.579 3.960 0.062 0.000 0.305 480 G HA3 0.582 4.579 3.960 0.062 0.000 0.305 480 G C 0.442 175.376 174.900 0.056 0.000 1.190 480 G CA 0.122 45.243 45.100 0.035 0.000 0.933 480 G HN 0.241 nan 8.290 nan 0.000 0.503 481 G N -1.224 107.609 108.800 0.055 0.000 2.569 481 G HA2 0.387 4.384 3.960 0.062 0.000 0.249 481 G HA3 0.387 4.384 3.960 0.062 0.000 0.249 481 G C -0.620 174.330 174.900 0.082 0.000 1.216 481 G CA -0.523 44.631 45.100 0.090 0.000 0.845 481 G HN 0.446 nan 8.290 nan 0.000 0.568 482 F N 0.495 120.462 119.950 0.029 0.000 2.467 482 F HA 0.379 4.946 4.527 0.066 0.000 0.362 482 F C 0.563 176.379 175.800 0.028 0.000 1.090 482 F CA -0.197 57.817 58.000 0.023 0.000 1.202 482 F CB 0.865 39.882 39.000 0.029 0.000 1.113 482 F HN 0.455 nan 8.300 nan 0.000 0.541 483 E N 3.959 123.756 120.200 -0.672 0.000 2.272 483 E HA 0.330 4.717 4.350 0.062 0.000 0.269 483 E C -1.141 175.097 176.600 -0.604 0.000 0.877 483 E CA -0.805 55.368 56.400 -0.378 0.000 0.755 483 E CB 1.603 31.181 29.700 -0.205 0.000 1.192 483 E HN 0.605 nan 8.360 nan 0.000 0.422 484 S N 2.454 118.042 115.700 -0.187 0.000 2.564 484 S HA 0.021 4.529 4.470 0.062 0.000 0.278 484 S C -0.573 174.012 174.600 -0.026 0.000 1.333 484 S CA -0.363 57.820 58.200 -0.028 0.000 1.048 484 S CB 0.149 63.459 63.200 0.184 0.000 0.900 484 S HN 0.466 nan 8.310 nan 0.000 0.505 485 Y N 2.562 122.798 120.300 -0.107 0.000 2.712 485 Y HA -0.030 4.557 4.550 0.061 0.000 0.333 485 Y C 0.838 176.718 175.900 -0.033 0.000 1.225 485 Y CA 0.196 58.245 58.100 -0.085 0.000 1.499 485 Y CB 0.210 38.618 38.460 -0.087 0.000 1.288 485 Y HN 0.579 nan 8.280 nan 0.000 0.575 486 Q N 5.264 124.681 119.800 -0.638 0.000 3.181 486 Q HA 0.032 4.410 4.340 0.062 0.000 0.293 486 Q C -0.300 175.385 176.000 -0.525 0.000 1.406 486 Q CA -0.083 55.456 55.803 -0.439 0.000 1.026 486 Q CB -0.157 28.397 28.738 -0.307 0.000 1.630 486 Q HN 0.634 nan 8.270 nan 0.000 0.553 487 E N 1.551 121.539 120.200 -0.353 0.000 2.414 487 E HA 0.008 4.395 4.350 0.062 0.000 0.263 487 E C -0.224 176.343 176.600 -0.054 0.000 1.000 487 E CA -0.474 55.857 56.400 -0.115 0.000 0.914 487 E CB 0.641 30.417 29.700 0.128 0.000 0.948 487 E HN 0.135 nan 8.360 nan 0.000 0.444 488 R N 3.000 123.491 120.500 -0.015 0.000 2.438 488 R HA 0.217 4.594 4.340 0.062 0.000 0.287 488 R C -1.481 174.843 176.300 0.039 0.000 1.077 488 R CA -0.204 55.899 56.100 0.004 0.000 1.034 488 R CB 0.897 31.206 30.300 0.016 0.000 0.993 488 R HN 0.299 nan 8.270 nan 0.000 0.459 489 V N 4.940 124.870 119.914 0.027 0.000 2.448 489 V HA 0.405 4.562 4.120 0.062 0.000 0.295 489 V C -0.553 175.555 176.094 0.024 0.000 1.025 489 V CA -0.558 61.762 62.300 0.034 0.000 0.859 489 V CB 1.640 33.479 31.823 0.027 0.000 0.988 489 V HN 0.820 nan 8.190 nan 0.000 0.431 490 E N 2.941 123.158 120.200 0.027 0.000 2.302 490 E HA 0.696 5.084 4.350 0.062 0.000 0.263 490 E C -0.146 176.462 176.600 0.013 0.000 0.897 490 E CA -0.404 56.005 56.400 0.016 0.000 0.809 490 E CB 2.287 31.997 29.700 0.017 0.000 1.270 490 E HN 0.957 nan 8.360 nan 0.000 0.410 491 G N 2.428 111.231 108.800 0.004 0.000 2.338 491 G HA2 0.155 4.152 3.960 0.062 0.000 0.295 491 G HA3 0.155 4.152 3.960 0.062 0.000 0.295 491 G C -1.422 173.474 174.900 -0.007 0.000 1.461 491 G CA -1.020 44.079 45.100 -0.002 0.000 0.817 491 G HN 0.361 nan 8.290 nan 0.000 0.556 492 N N 0.003 118.695 118.700 -0.013 0.000 2.493 492 N HA 0.414 5.191 4.740 0.062 0.000 0.275 492 N C -0.141 175.357 175.510 -0.020 0.000 1.186 492 N CA -0.485 52.556 53.050 -0.015 0.000 0.978 492 N CB 0.960 39.437 38.487 -0.017 0.000 1.184 492 N HN 0.395 nan 8.380 nan 0.000 0.487 493 K N 1.105 121.492 120.400 -0.021 0.000 2.351 493 K HA 0.177 4.534 4.320 0.062 0.000 0.287 493 K C -0.739 175.841 176.600 -0.034 0.000 1.068 493 K CA -0.159 56.111 56.287 -0.027 0.000 0.998 493 K CB -0.204 32.281 32.500 -0.025 0.000 0.968 493 K HN 0.338 nan 8.250 nan 0.000 0.464 494 V N 0.361 120.250 119.914 -0.042 0.000 2.925 494 V HA 0.482 4.639 4.120 0.062 0.000 0.311 494 V C -0.556 175.500 176.094 -0.064 0.000 1.104 494 V CA -1.339 60.931 62.300 -0.049 0.000 0.954 494 V CB 2.018 33.814 31.823 -0.045 0.000 1.022 494 V HN 0.621 nan 8.190 nan 0.000 0.427 495 R N 2.378 122.836 120.500 -0.070 0.000 2.369 495 R HA 0.625 5.002 4.340 0.062 0.000 0.310 495 R C -0.541 175.713 176.300 -0.077 0.000 1.141 495 R CA -0.149 55.898 56.100 -0.089 0.000 1.116 495 R CB 0.884 31.118 30.300 -0.110 0.000 1.135 495 R HN 0.942 nan 8.270 nan 0.000 0.529 496 E N 2.114 122.264 120.200 -0.083 0.000 2.321 496 E HA 0.208 4.596 4.350 0.062 0.000 0.281 496 E C -1.296 175.237 176.600 -0.112 0.000 0.910 496 E CA -0.989 55.364 56.400 -0.077 0.000 0.770 496 E CB 1.596 31.256 29.700 -0.066 0.000 1.225 496 E HN 0.147 nan 8.360 nan 0.000 0.417 497 R N 1.774 122.212 120.500 -0.104 0.000 2.389 497 R HA 0.201 4.578 4.340 0.062 0.000 0.295 497 R C -0.494 175.688 176.300 -0.197 0.000 1.075 497 R CA 0.137 56.134 56.100 -0.172 0.000 1.005 497 R CB 1.098 31.356 30.300 -0.070 0.000 0.987 497 R HN 0.386 nan 8.270 nan 0.000 0.452 498 S N 5.040 120.511 115.700 -0.381 0.000 2.546 498 S HA 0.081 4.588 4.470 0.062 0.000 0.290 498 S C -1.515 173.058 174.600 -0.045 0.000 1.290 498 S CA -1.167 56.899 58.200 -0.222 0.000 1.069 498 S CB 0.623 63.627 63.200 -0.327 0.000 0.846 498 S HN 0.534 nan 8.310 nan 0.000 0.495 499 P HA -0.109 nan 4.420 nan 0.000 0.218 499 P C 1.502 178.856 177.300 0.090 0.000 1.148 499 P CA 1.259 64.382 63.100 0.038 0.000 0.822 499 P CB -0.108 31.605 31.700 0.022 0.000 0.784 500 S N -2.256 113.538 115.700 0.156 0.000 2.500 500 S HA -0.101 4.406 4.470 0.062 0.000 0.239 500 S C 1.397 176.155 174.600 0.262 0.000 0.989 500 S CA 0.807 59.128 58.200 0.201 0.000 0.951 500 S CB -1.330 62.023 63.200 0.254 0.000 0.759 500 S HN -0.012 nan 8.310 nan 0.000 0.523 501 F N 2.099 122.036 119.950 -0.022 0.000 2.765 501 F HA 0.398 4.962 4.527 0.061 0.000 0.302 501 F C 1.923 177.644 175.800 -0.132 0.000 1.111 501 F CA -0.816 57.166 58.000 -0.031 0.000 1.359 501 F CB -0.418 38.599 39.000 0.027 0.000 1.097 501 F HN 0.349 nan 8.300 nan 0.000 0.577 502 G N 0.444 109.229 108.800 -0.025 0.000 3.574 502 G HA2 0.109 4.107 3.960 0.062 0.000 0.262 502 G HA3 0.109 4.107 3.960 0.062 0.000 0.262 502 G C -0.076 174.388 174.900 -0.726 0.000 1.231 502 G CA 0.097 45.001 45.100 -0.327 0.000 1.608 502 G HN 0.032 nan 8.290 nan 0.000 0.628 503 E N 0.088 119.773 120.200 -0.858 0.000 2.275 503 E HA 0.368 4.755 4.350 0.062 0.000 0.270 503 E C -0.932 175.198 176.600 -0.783 0.000 0.882 503 E CA -0.769 55.202 56.400 -0.714 0.000 0.758 503 E CB 1.672 31.214 29.700 -0.263 0.000 1.195 503 E HN 0.198 nan 8.360 nan 0.000 0.419 504 Y N 2.444 122.527 120.300 -0.362 0.000 2.499 504 Y HA 0.198 4.785 4.550 0.061 0.000 0.253 504 Y C 0.648 176.296 175.900 -0.421 0.000 1.105 504 Y CA -0.153 57.660 58.100 -0.478 0.000 1.240 504 Y CB 0.423 38.443 38.460 -0.733 0.000 1.289 504 Y HN 0.423 nan 8.280 nan 0.000 0.534 505 Y N -1.957 118.434 120.300 0.153 0.000 2.535 505 Y HA 0.165 4.752 4.550 0.063 0.000 0.264 505 Y C 2.241 178.206 175.900 0.107 0.000 1.087 505 Y CA 0.179 58.361 58.100 0.138 0.000 1.285 505 Y CB -0.216 38.329 38.460 0.142 0.000 1.200 505 Y HN -0.139 nan 8.280 nan 0.000 0.514 506 S N -0.593 115.243 115.700 0.227 0.000 2.368 506 S HA -0.170 4.337 4.470 0.062 0.000 0.225 506 S C 1.664 176.336 174.600 0.120 0.000 1.030 506 S CA 1.394 59.704 58.200 0.184 0.000 0.999 506 S CB -0.384 62.933 63.200 0.195 0.000 0.844 506 S HN 0.570 nan 8.310 nan 0.000 0.459 507 H N 0.720 119.701 119.070 -0.148 0.000 2.395 507 H HA 0.011 4.604 4.556 0.062 0.000 0.299 507 H C -0.620 174.495 175.328 -0.355 0.000 1.070 507 H CA 0.999 56.807 56.048 -0.399 0.000 1.356 507 H CB -1.220 28.070 29.762 -0.787 0.000 1.401 507 H HN 0.323 nan 8.280 nan 0.000 0.524 508 P HA -0.167 nan 4.420 nan 0.000 0.215 508 P C 1.643 179.121 177.300 0.297 0.000 1.153 508 P CA 1.419 64.663 63.100 0.241 0.000 0.853 508 P CB -0.106 31.767 31.700 0.287 0.000 0.788 509 R N -0.402 120.226 120.500 0.214 0.000 2.073 509 R HA -0.137 4.240 4.340 0.062 0.000 0.234 509 R C 2.178 178.607 176.300 0.214 0.000 1.134 509 R CA 1.201 57.435 56.100 0.223 0.000 0.952 509 R CB -1.120 29.273 30.300 0.156 0.000 0.850 509 R HN 0.046 nan 8.270 nan 0.000 0.433 510 L N 0.498 121.785 121.223 0.108 0.000 2.012 510 L HA -0.174 4.203 4.340 0.062 0.000 0.210 510 L C 2.003 178.925 176.870 0.088 0.000 1.073 510 L CA 1.837 56.703 54.840 0.044 0.000 0.748 510 L CB -0.802 41.209 42.059 -0.081 0.000 0.891 510 L HN 0.252 nan 8.230 nan 0.000 0.431 511 F N -0.665 119.303 119.950 0.031 0.000 2.095 511 F HA -0.299 4.266 4.527 0.063 0.000 0.298 511 F C 2.353 178.149 175.800 -0.006 0.000 1.104 511 F CA 2.308 60.304 58.000 -0.007 0.000 1.232 511 F CB -0.661 38.365 39.000 0.043 0.000 0.987 511 F HN 0.412 nan 8.300 nan 0.000 0.475 512 W N 1.237 122.534 121.300 -0.005 0.000 2.335 512 W HA -0.248 4.449 4.660 0.062 0.000 0.311 512 W C 1.714 178.121 176.519 -0.186 0.000 1.213 512 W CA 1.727 59.023 57.345 -0.081 0.000 1.274 512 W CB -0.713 28.783 29.460 0.060 0.000 1.148 512 W HN 0.088 nan 8.180 nan 0.000 0.498 513 L N 1.056 122.214 121.223 -0.108 0.000 2.376 513 L HA -0.126 4.251 4.340 0.062 0.000 0.219 513 L C 2.269 178.946 176.870 -0.322 0.000 1.133 513 L CA 0.914 55.613 54.840 -0.235 0.000 0.816 513 L CB -0.525 41.518 42.059 -0.026 0.000 0.933 513 L HN -0.140 nan 8.230 nan 0.000 0.449 514 S N -1.398 114.091 115.700 -0.352 0.000 2.575 514 S HA 0.076 4.583 4.470 0.062 0.000 0.215 514 S C 0.666 174.975 174.600 -0.484 0.000 0.966 514 S CA -0.031 57.957 58.200 -0.354 0.000 0.911 514 S CB 0.077 63.094 63.200 -0.304 0.000 0.780 514 S HN 0.272 nan 8.310 nan 0.000 0.514 515 Q N 2.090 121.501 119.800 -0.650 0.000 2.260 515 Q HA 0.304 4.681 4.340 0.062 0.000 0.238 515 Q C 0.645 176.256 176.000 -0.649 0.000 0.948 515 Q CA -0.117 55.267 55.803 -0.698 0.000 0.895 515 Q CB 0.538 28.799 28.738 -0.795 0.000 1.218 515 Q HN 0.419 nan 8.270 nan 0.000 0.470 516 T N -2.056 112.071 114.554 -0.711 0.000 2.766 516 T HA 0.173 4.560 4.350 0.062 0.000 0.295 516 T C -1.759 172.489 174.700 -0.753 0.000 1.024 516 T CA -1.294 60.354 62.100 -0.753 0.000 1.018 516 T CB 0.278 68.448 68.868 -1.163 0.000 1.002 516 T HN 0.228 nan 8.240 nan 0.000 0.532 517 P HA 0.015 nan 4.420 nan 0.000 0.218 517 P C 1.340 178.431 177.300 -0.348 0.000 1.149 517 P CA 0.853 63.732 63.100 -0.368 0.000 0.817 517 P CB -0.258 31.342 31.700 -0.167 0.000 0.785 518 F N -0.151 119.600 119.950 -0.332 0.000 2.259 518 F HA 0.059 4.623 4.527 0.062 0.000 0.298 518 F C 1.817 177.254 175.800 -0.605 0.000 1.088 518 F CA 0.789 58.529 58.000 -0.434 0.000 1.358 518 F CB -1.645 37.078 39.000 -0.461 0.000 1.040 518 F HN -0.110 nan 8.300 nan 0.000 0.505 519 E N 0.568 120.215 120.200 -0.921 0.000 2.106 519 E HA -0.200 4.187 4.350 0.062 0.000 0.192 519 E C 2.204 178.612 176.600 -0.321 0.000 0.984 519 E CA 1.369 57.437 56.400 -0.552 0.000 0.806 519 E CB -0.269 29.076 29.700 -0.592 0.000 0.750 519 E HN 0.622 nan 8.360 nan 0.000 0.458 520 Q N 0.340 119.876 119.800 -0.439 0.000 2.084 520 Q HA -0.168 4.209 4.340 0.062 0.000 0.202 520 Q C 2.299 178.341 176.000 0.070 0.000 0.978 520 Q CA 1.005 56.593 55.803 -0.359 0.000 0.844 520 Q CB -0.169 28.072 28.738 -0.830 0.000 0.898 520 Q HN 0.142 nan 8.270 nan 0.000 0.426 521 R N 0.385 120.896 120.500 0.017 0.000 2.083 521 R HA -0.191 4.186 4.340 0.062 0.000 0.237 521 R C 1.770 178.255 176.300 0.307 0.000 1.137 521 R CA 1.775 57.975 56.100 0.167 0.000 0.951 521 R CB -0.230 30.146 30.300 0.127 0.000 0.851 521 R HN 0.516 nan 8.270 nan 0.000 0.434 522 H N -0.498 118.669 119.070 0.161 0.000 2.457 522 H HA -0.059 4.534 4.556 0.062 0.000 0.294 522 H C 2.213 177.661 175.328 0.200 0.000 1.064 522 H CA 1.074 57.232 56.048 0.183 0.000 1.330 522 H CB 0.056 29.931 29.762 0.188 0.000 1.395 522 H HN 0.239 nan 8.280 nan 0.000 0.541 523 I N 0.180 120.972 120.570 0.370 0.000 2.142 523 I HA -0.258 3.949 4.170 0.062 0.000 0.240 523 I C 2.292 178.706 176.117 0.495 0.000 1.078 523 I CA 0.858 62.414 61.300 0.427 0.000 1.343 523 I CB -0.142 38.203 38.000 0.575 0.000 1.046 523 I HN 0.083 nan 8.210 nan 0.000 0.405 524 V N 0.764 120.958 119.914 0.466 0.000 2.332 524 V HA -0.311 3.846 4.120 0.062 0.000 0.248 524 V C 1.984 178.259 176.094 0.301 0.000 1.055 524 V CA 2.023 64.543 62.300 0.366 0.000 1.038 524 V CB -0.645 31.353 31.823 0.291 0.000 0.651 524 V HN 0.415 nan 8.190 nan 0.000 0.450 525 D N 0.265 120.827 120.400 0.270 0.000 2.149 525 D HA -0.055 4.622 4.640 0.062 0.000 0.201 525 D C 2.188 178.576 176.300 0.147 0.000 0.972 525 D CA 1.425 55.550 54.000 0.208 0.000 0.835 525 D CB -0.480 40.445 40.800 0.209 0.000 0.966 525 D HN 0.461 nan 8.370 nan 0.000 0.476 526 G N -0.125 108.743 108.800 0.113 0.000 2.404 526 G HA2 -0.231 3.766 3.960 0.062 0.000 0.215 526 G HA3 -0.231 3.766 3.960 0.062 0.000 0.215 526 G C 1.422 176.330 174.900 0.014 0.000 1.174 526 G CA 0.124 45.196 45.100 -0.047 0.000 0.780 526 G HN 0.171 nan 8.290 nan 0.000 0.537 527 F N 1.749 121.741 119.950 0.069 0.000 2.171 527 F HA -0.027 4.537 4.527 0.062 0.000 0.300 527 F C 3.087 178.799 175.800 -0.148 0.000 1.090 527 F CA 1.431 59.402 58.000 -0.049 0.000 1.293 527 F CB -0.158 38.820 39.000 -0.036 0.000 1.013 527 F HN 0.079 nan 8.300 nan 0.000 0.486 528 S N -0.207 115.594 115.700 0.167 0.000 2.368 528 S HA -0.196 4.311 4.470 0.062 0.000 0.224 528 S C 1.884 176.498 174.600 0.024 0.000 1.029 528 S CA 1.172 59.411 58.200 0.065 0.000 0.988 528 S CB -0.703 62.558 63.200 0.103 0.000 0.838 528 S HN 0.414 nan 8.310 nan 0.000 0.462 529 F N 2.495 122.405 119.950 -0.066 0.000 2.146 529 F HA -0.059 4.505 4.527 0.061 0.000 0.298 529 F C 2.297 178.029 175.800 -0.113 0.000 1.096 529 F CA 1.349 59.298 58.000 -0.085 0.000 1.275 529 F CB -0.224 38.668 39.000 -0.181 0.000 1.008 529 F HN 0.132 nan 8.300 nan 0.000 0.480 530 E N 0.528 120.704 120.200 -0.038 0.000 2.047 530 E HA -0.193 4.194 4.350 0.062 0.000 0.191 530 E C 2.333 178.727 176.600 -0.344 0.000 0.987 530 E CA 1.581 57.919 56.400 -0.104 0.000 0.799 530 E CB -0.441 29.338 29.700 0.132 0.000 0.752 530 E HN 0.469 nan 8.360 nan 0.000 0.449 531 L N 1.288 122.230 121.223 -0.468 0.000 2.291 531 L HA -0.104 4.273 4.340 0.062 0.000 0.214 531 L C 2.700 179.401 176.870 -0.283 0.000 1.120 531 L CA 0.890 55.432 54.840 -0.497 0.000 0.799 531 L CB -0.409 41.372 42.059 -0.464 0.000 0.925 531 L HN 0.134 nan 8.230 nan 0.000 0.446 532 S N -0.396 115.153 115.700 -0.253 0.000 2.442 532 S HA -0.137 4.370 4.470 0.062 0.000 0.236 532 S C 1.764 176.246 174.600 -0.198 0.000 1.007 532 S CA 0.779 58.855 58.200 -0.206 0.000 0.965 532 S CB -0.119 62.959 63.200 -0.204 0.000 0.773 532 S HN 0.271 nan 8.310 nan 0.000 0.504 533 K N 1.142 121.404 120.400 -0.230 0.000 2.404 533 K HA 0.353 4.711 4.320 0.062 0.000 0.194 533 K C -0.071 176.522 176.600 -0.013 0.000 1.023 533 K CA -0.044 56.169 56.287 -0.124 0.000 1.094 533 K CB -0.018 32.400 32.500 -0.136 0.000 0.841 533 K HN 0.326 nan 8.250 nan 0.000 0.523 534 V N 2.011 121.896 119.914 -0.049 0.000 2.455 534 V HA 0.010 4.167 4.120 0.062 0.000 0.273 534 V C 1.698 177.778 176.094 -0.023 0.000 1.045 534 V CA -0.089 62.211 62.300 0.001 0.000 0.976 534 V CB 1.461 33.249 31.823 -0.058 0.000 0.993 534 V HN -0.127 nan 8.190 nan 0.000 0.475 535 V N 5.175 125.098 119.914 0.015 0.000 2.591 535 V HA -0.010 4.147 4.120 0.062 0.000 0.249 535 V C 1.278 177.359 176.094 -0.022 0.000 1.053 535 V CA 1.231 63.536 62.300 0.008 0.000 1.068 535 V CB -0.424 31.423 31.823 0.039 0.000 0.689 535 V HN 0.741 nan 8.190 nan 0.000 0.462 536 R N 0.692 121.153 120.500 -0.065 0.000 2.210 536 R HA 0.218 4.595 4.340 0.062 0.000 0.338 536 R C -1.801 174.381 176.300 -0.197 0.000 1.062 536 R CA -1.511 54.526 56.100 -0.105 0.000 0.902 536 R CB 0.925 31.102 30.300 -0.205 0.000 1.050 536 R HN 0.197 nan 8.270 nan 0.000 0.461 537 P HA -0.177 nan 4.420 nan 0.000 0.218 537 P C 0.682 177.941 177.300 -0.069 0.000 1.149 537 P CA 1.020 64.086 63.100 -0.056 0.000 0.817 537 P CB 0.029 31.735 31.700 0.010 0.000 0.785 538 Y N -1.314 118.987 120.300 0.001 0.000 2.403 538 Y HA -0.096 4.491 4.550 0.062 0.000 0.291 538 Y C 1.852 177.758 175.900 0.011 0.000 1.143 538 Y CA 0.752 58.853 58.100 0.003 0.000 1.257 538 Y CB -1.747 36.715 38.460 0.003 0.000 0.984 538 Y HN -0.097 nan 8.280 nan 0.000 0.550 539 I N 0.773 120.918 120.570 -0.708 0.000 2.286 539 I HA -0.215 3.992 4.170 0.062 0.000 0.245 539 I C 2.508 178.538 176.117 -0.145 0.000 1.104 539 I CA 1.177 62.247 61.300 -0.383 0.000 1.397 539 I CB -0.376 37.392 38.000 -0.387 0.000 1.072 539 I HN 0.172 nan 8.210 nan 0.000 0.417 540 R N 0.932 121.336 120.500 -0.160 0.000 2.083 540 R HA -0.211 4.166 4.340 0.062 0.000 0.237 540 R C 2.131 178.383 176.300 -0.079 0.000 1.137 540 R CA 1.681 57.702 56.100 -0.132 0.000 0.951 540 R CB -0.472 29.749 30.300 -0.132 0.000 0.851 540 R HN 0.448 nan 8.270 nan 0.000 0.434 541 E N 0.304 120.479 120.200 -0.042 0.000 2.110 541 E HA -0.168 4.219 4.350 0.062 0.000 0.193 541 E C 2.147 178.754 176.600 0.011 0.000 0.988 541 E CA 1.068 57.463 56.400 -0.007 0.000 0.804 541 E CB -0.013 29.707 29.700 0.033 0.000 0.745 541 E HN 0.286 nan 8.360 nan 0.000 0.458 542 R N 0.190 120.711 120.500 0.035 0.000 2.092 542 R HA -0.069 4.309 4.340 0.062 0.000 0.231 542 R C 2.377 178.704 176.300 0.044 0.000 1.119 542 R CA 0.891 57.025 56.100 0.056 0.000 0.970 542 R CB -0.153 30.200 30.300 0.088 0.000 0.864 542 R HN 0.048 nan 8.270 nan 0.000 0.440 543 V N 0.340 120.277 119.914 0.039 0.000 2.427 543 V HA -0.189 3.968 4.120 0.062 0.000 0.248 543 V C 2.241 178.321 176.094 -0.023 0.000 1.051 543 V CA 1.427 63.762 62.300 0.059 0.000 1.048 543 V CB -0.248 31.637 31.823 0.103 0.000 0.666 543 V HN 0.122 nan 8.190 nan 0.000 0.456 544 V N 0.479 120.353 119.914 -0.067 0.000 2.407 544 V HA -0.287 3.870 4.120 0.062 0.000 0.248 544 V C 2.292 178.346 176.094 -0.066 0.000 1.055 544 V CA 2.388 64.621 62.300 -0.111 0.000 1.049 544 V CB -0.617 31.147 31.823 -0.098 0.000 0.662 544 V HN 0.647 nan 8.190 nan 0.000 0.455 545 D N -0.527 119.867 120.400 -0.010 0.000 2.144 545 D HA -0.213 4.464 4.640 0.062 0.000 0.199 545 D C 2.256 178.633 176.300 0.127 0.000 0.984 545 D CA 1.407 55.434 54.000 0.045 0.000 0.834 545 D CB -0.023 40.820 40.800 0.073 0.000 0.955 545 D HN 0.520 nan 8.370 nan 0.000 0.465 546 Q N -0.417 119.429 119.800 0.077 0.000 2.084 546 Q HA -0.098 4.279 4.340 0.062 0.000 0.202 546 Q C 2.460 178.490 176.000 0.050 0.000 0.978 546 Q CA 0.871 56.730 55.803 0.094 0.000 0.844 546 Q CB -0.093 28.715 28.738 0.117 0.000 0.898 546 Q HN 0.396 nan 8.270 nan 0.000 0.426 547 L N 0.221 121.407 121.223 -0.063 0.000 2.127 547 L HA -0.182 4.195 4.340 0.062 0.000 0.211 547 L C 2.423 179.179 176.870 -0.190 0.000 1.089 547 L CA 0.854 55.580 54.840 -0.190 0.000 0.757 547 L CB -0.636 41.207 42.059 -0.360 0.000 0.899 547 L HN 0.224 nan 8.230 nan 0.000 0.434 548 A N -0.808 121.921 122.820 -0.152 0.000 2.125 548 A HA -0.213 4.144 4.320 0.062 0.000 0.219 548 A C 1.750 179.142 177.584 -0.321 0.000 1.156 548 A CA 1.379 53.286 52.037 -0.216 0.000 0.671 548 A CB -0.714 18.167 19.000 -0.199 0.000 0.794 548 A HN 0.460 nan 8.150 nan 0.000 0.459 549 H N -1.370 117.494 119.070 -0.344 0.000 2.551 549 H HA 0.277 4.870 4.556 0.062 0.000 0.266 549 H C 1.630 176.688 175.328 -0.451 0.000 0.964 549 H CA 0.907 56.617 56.048 -0.563 0.000 1.180 549 H CB 0.112 29.113 29.762 -1.269 0.000 1.408 549 H HN 0.492 nan 8.280 nan 0.000 0.563 550 I N -1.018 119.449 120.570 -0.172 0.000 2.499 550 I HA 0.052 4.259 4.170 0.062 0.000 0.243 550 I C -0.094 175.952 176.117 -0.118 0.000 1.085 550 I CA 0.587 61.852 61.300 -0.058 0.000 1.422 550 I CB 0.590 38.580 38.000 -0.016 0.000 1.165 550 I HN 0.109 nan 8.210 nan 0.000 0.440 551 D N -1.023 119.234 120.400 -0.239 0.000 2.931 551 D HA 0.218 4.895 4.640 0.062 0.000 0.215 551 D C 0.197 176.332 176.300 -0.276 0.000 1.297 551 D CA -0.403 53.439 54.000 -0.262 0.000 0.892 551 D CB 1.331 41.849 40.800 -0.471 0.000 1.642 551 D HN -0.210 nan 8.370 nan 0.000 0.560 552 L N 2.481 123.601 121.223 -0.172 0.000 2.156 552 L HA 0.014 4.391 4.340 0.062 0.000 0.208 552 L C 2.158 178.949 176.870 -0.132 0.000 1.095 552 L CA 1.529 56.280 54.840 -0.149 0.000 0.770 552 L CB -1.352 40.646 42.059 -0.102 0.000 0.914 552 L HN 0.620 nan 8.230 nan 0.000 0.439 553 T N 0.122 114.623 114.554 -0.089 0.000 2.708 553 T HA -0.185 4.202 4.350 0.062 0.000 0.266 553 T C 1.912 176.549 174.700 -0.106 0.000 1.037 553 T CA 1.407 63.498 62.100 -0.016 0.000 1.146 553 T CB -0.319 68.635 68.868 0.143 0.000 0.865 553 T HN 0.197 nan 8.240 nan 0.000 0.435 554 L N 1.712 122.702 121.223 -0.387 0.000 1.989 554 L HA -0.006 4.372 4.340 0.062 0.000 0.211 554 L C 2.580 179.218 176.870 -0.387 0.000 1.071 554 L CA 2.186 56.636 54.840 -0.651 0.000 0.749 554 L CB -1.139 40.093 42.059 -1.377 0.000 0.890 554 L HN 0.213 nan 8.230 nan 0.000 0.431 555 A N -1.174 121.435 122.820 -0.352 0.000 1.902 555 A HA -0.242 4.115 4.320 0.062 0.000 0.217 555 A C 2.227 179.706 177.584 -0.175 0.000 1.181 555 A CA 1.817 53.693 52.037 -0.268 0.000 0.623 555 A CB -0.631 18.231 19.000 -0.231 0.000 0.818 555 A HN 0.696 nan 8.150 nan 0.000 0.443 556 Q N -0.828 118.894 119.800 -0.130 0.000 2.119 556 Q HA -0.071 4.306 4.340 0.062 0.000 0.201 556 Q C 2.410 178.379 176.000 -0.052 0.000 0.972 556 Q CA 1.210 56.967 55.803 -0.076 0.000 0.847 556 Q CB -0.330 28.378 28.738 -0.049 0.000 0.903 556 Q HN 0.697 nan 8.270 nan 0.000 0.433 557 A N 0.195 122.990 122.820 -0.043 0.000 1.898 557 A HA -0.118 4.239 4.320 0.062 0.000 0.216 557 A C 2.288 179.870 177.584 -0.005 0.000 1.181 557 A CA 1.166 53.207 52.037 0.006 0.000 0.620 557 A CB -0.578 18.457 19.000 0.059 0.000 0.819 557 A HN 0.202 nan 8.150 nan 0.000 0.442 558 V N -0.053 119.827 119.914 -0.057 0.000 2.343 558 V HA -0.236 3.921 4.120 0.062 0.000 0.247 558 V C 3.057 179.113 176.094 -0.063 0.000 1.051 558 V CA 1.882 64.144 62.300 -0.062 0.000 1.036 558 V CB -1.259 30.468 31.823 -0.161 0.000 0.654 558 V HN 0.605 nan 8.190 nan 0.000 0.451 559 A N -0.200 122.572 122.820 -0.079 0.000 1.908 559 A HA -0.290 4.067 4.320 0.062 0.000 0.218 559 A C 2.345 179.908 177.584 -0.035 0.000 1.181 559 A CA 2.279 54.279 52.037 -0.063 0.000 0.627 559 A CB -0.528 18.433 19.000 -0.066 0.000 0.818 559 A HN 0.528 nan 8.150 nan 0.000 0.445 560 K N -0.387 120.000 120.400 -0.022 0.000 2.063 560 K HA -0.195 4.162 4.320 0.062 0.000 0.208 560 K C 1.507 178.110 176.600 0.004 0.000 1.048 560 K CA 1.644 57.929 56.287 -0.003 0.000 0.928 560 K CB -0.207 32.298 32.500 0.008 0.000 0.713 560 K HN 0.432 nan 8.250 nan 0.000 0.442 561 N N 0.614 119.320 118.700 0.009 0.000 2.381 561 N HA -0.102 4.675 4.740 0.062 0.000 0.182 561 N C 1.271 176.781 175.510 -0.000 0.000 1.025 561 N CA 0.867 53.928 53.050 0.019 0.000 0.888 561 N CB 0.095 38.606 38.487 0.041 0.000 0.965 561 N HN 0.269 nan 8.380 nan 0.000 0.438 562 L N -0.877 120.334 121.223 -0.020 0.000 2.640 562 L HA 0.261 4.638 4.340 0.062 0.000 0.230 562 L C 0.956 177.810 176.870 -0.026 0.000 1.123 562 L CA -0.078 54.741 54.840 -0.035 0.000 0.900 562 L CB 0.043 42.066 42.059 -0.060 0.000 1.146 562 L HN 0.072 nan 8.230 nan 0.000 0.484 563 G N 1.451 110.242 108.800 -0.016 0.000 2.198 563 G HA2 -0.287 3.711 3.960 0.062 0.000 0.260 563 G HA3 -0.287 3.711 3.960 0.062 0.000 0.260 563 G C 0.024 174.915 174.900 -0.015 0.000 1.025 563 G CA 0.100 45.194 45.100 -0.011 0.000 0.769 563 G HN 0.314 nan 8.290 nan 0.000 0.507 564 I N -0.121 120.436 120.570 -0.022 0.000 2.460 564 I HA 0.481 4.689 4.170 0.062 0.000 0.298 564 I C 0.270 176.372 176.117 -0.024 0.000 0.989 564 I CA -0.737 60.549 61.300 -0.025 0.000 1.173 564 I CB 1.891 39.869 38.000 -0.037 0.000 1.338 564 I HN 0.179 nan 8.210 nan 0.000 0.456 565 E N 6.238 126.426 120.200 -0.021 0.000 2.158 565 E HA 0.438 4.825 4.350 0.062 0.000 0.271 565 E C -1.134 175.450 176.600 -0.027 0.000 0.911 565 E CA -0.718 55.669 56.400 -0.022 0.000 0.767 565 E CB 1.345 31.036 29.700 -0.015 0.000 1.120 565 E HN 0.474 nan 8.360 nan 0.000 0.405 566 L N 3.423 124.624 121.223 -0.036 0.000 2.461 566 L HA 0.140 4.517 4.340 0.062 0.000 0.272 566 L C 1.051 177.901 176.870 -0.035 0.000 1.197 566 L CA -0.179 54.636 54.840 -0.043 0.000 0.836 566 L CB 0.516 42.541 42.059 -0.057 0.000 1.105 566 L HN 0.691 nan 8.230 nan 0.000 0.477 567 T N -2.418 112.116 114.554 -0.033 0.000 2.788 567 T HA 0.057 4.444 4.350 0.062 0.000 0.287 567 T C 0.765 175.445 174.700 -0.034 0.000 1.007 567 T CA -0.799 61.285 62.100 -0.028 0.000 1.005 567 T CB 1.033 69.888 68.868 -0.022 0.000 1.012 567 T HN 0.495 nan 8.240 nan 0.000 0.530 568 D N 0.487 120.871 120.400 -0.027 0.000 2.149 568 D HA -0.087 4.590 4.640 0.062 0.000 0.198 568 D C 1.678 177.955 176.300 -0.039 0.000 0.990 568 D CA 1.178 55.160 54.000 -0.030 0.000 0.839 568 D CB -0.319 40.468 40.800 -0.022 0.000 0.948 568 D HN 0.598 nan 8.370 nan 0.000 0.460 569 D N 0.516 120.895 120.400 -0.036 0.000 2.117 569 D HA -0.128 4.549 4.640 0.062 0.000 0.197 569 D C 2.111 178.368 176.300 -0.073 0.000 0.987 569 D CA 0.764 54.737 54.000 -0.044 0.000 0.829 569 D CB -0.253 40.529 40.800 -0.029 0.000 0.961 569 D HN 0.338 nan 8.370 nan 0.000 0.460 570 Q N -0.168 119.588 119.800 -0.074 0.000 2.124 570 Q HA -0.055 4.322 4.340 0.062 0.000 0.202 570 Q C 2.382 178.307 176.000 -0.125 0.000 0.977 570 Q CA 0.627 56.362 55.803 -0.113 0.000 0.850 570 Q CB -0.082 28.603 28.738 -0.088 0.000 0.901 570 Q HN 0.320 nan 8.270 nan 0.000 0.429 571 L N 0.755 121.925 121.223 -0.089 0.000 2.275 571 L HA -0.143 4.234 4.340 0.062 0.000 0.215 571 L C 1.247 178.068 176.870 -0.082 0.000 1.119 571 L CA 0.507 55.298 54.840 -0.080 0.000 0.790 571 L CB -0.151 41.875 42.059 -0.055 0.000 0.919 571 L HN 0.243 nan 8.230 nan 0.000 0.443 572 N N -0.140 118.510 118.700 -0.083 0.000 2.270 572 N HA 0.208 4.985 4.740 0.062 0.000 0.198 572 N C 0.340 175.791 175.510 -0.099 0.000 1.117 572 N CA 0.099 53.104 53.050 -0.075 0.000 0.845 572 N CB 0.486 38.941 38.487 -0.053 0.000 0.980 572 N HN 0.242 nan 8.380 nan 0.000 0.486 573 I N 1.652 122.128 120.570 -0.156 0.000 2.598 573 I HA -0.050 4.157 4.170 0.062 0.000 0.284 573 I C 0.470 176.495 176.117 -0.153 0.000 1.140 573 I CA 0.371 61.546 61.300 -0.208 0.000 1.420 573 I CB 0.383 38.130 38.000 -0.421 0.000 1.387 573 I HN -0.168 nan 8.210 nan 0.000 0.553 574 T N 8.212 122.704 114.554 -0.103 0.000 2.834 574 T HA 0.160 4.547 4.350 0.062 0.000 0.298 574 T C -2.045 172.620 174.700 -0.058 0.000 0.966 574 T CA -0.857 61.209 62.100 -0.057 0.000 1.141 574 T CB 0.154 69.009 68.868 -0.022 0.000 0.905 574 T HN 0.373 nan 8.240 nan 0.000 0.535 575 P HA 0.154 nan 4.420 nan 0.000 0.267 575 P C -2.246 175.070 177.300 0.025 0.000 1.200 575 P CA -1.237 61.850 63.100 -0.021 0.000 0.772 575 P CB -0.447 31.252 31.700 -0.002 0.000 0.855 576 P HA 0.186 nan 4.420 nan 0.000 0.271 576 P C -2.524 174.831 177.300 0.092 0.000 1.233 576 P CA -1.179 61.989 63.100 0.114 0.000 0.789 576 P CB -0.922 30.893 31.700 0.192 0.000 0.951 577 P HA 0.115 nan 4.420 nan 0.000 0.272 577 P C -0.253 177.098 177.300 0.084 0.000 1.223 577 P CA 0.144 63.292 63.100 0.080 0.000 0.784 577 P CB 0.130 31.880 31.700 0.083 0.000 0.923 578 D N 0.059 120.500 120.400 0.069 0.000 2.390 578 D HA 0.016 4.693 4.640 0.062 0.000 0.236 578 D C -0.106 176.242 176.300 0.079 0.000 1.189 578 D CA 0.261 54.298 54.000 0.062 0.000 0.887 578 D CB 0.262 41.094 40.800 0.053 0.000 1.198 578 D HN -0.040 nan 8.370 nan 0.000 0.444 579 V N 2.865 122.815 119.914 0.060 0.000 2.353 579 V HA 0.060 4.217 4.120 0.062 0.000 0.264 579 V C 0.261 176.445 176.094 0.150 0.000 1.049 579 V CA -0.447 61.916 62.300 0.105 0.000 0.896 579 V CB -0.320 31.472 31.823 -0.052 0.000 1.025 579 V HN 0.612 nan 8.190 nan 0.000 0.475 580 N N 4.512 123.319 118.700 0.178 0.000 2.714 580 N HA -0.228 4.549 4.740 0.062 0.000 0.252 580 N C 1.156 176.729 175.510 0.104 0.000 1.014 580 N CA 1.018 54.159 53.050 0.152 0.000 0.735 580 N CB -0.887 37.734 38.487 0.224 0.000 0.924 580 N HN 1.266 nan 8.380 nan 0.000 0.540 581 G N -2.051 106.796 108.800 0.079 0.000 2.179 581 G HA2 -0.328 3.669 3.960 0.062 0.000 0.260 581 G HA3 -0.328 3.669 3.960 0.062 0.000 0.260 581 G C 0.119 175.048 174.900 0.049 0.000 0.977 581 G CA 0.379 45.513 45.100 0.056 0.000 0.641 581 G HN 0.403 nan 8.290 nan 0.000 0.533 582 L N 0.345 121.601 121.223 0.053 0.000 2.349 582 L HA 0.415 4.792 4.340 0.062 0.000 0.275 582 L C 1.546 178.429 176.870 0.022 0.000 1.115 582 L CA -0.656 54.205 54.840 0.035 0.000 0.820 582 L CB 1.047 43.125 42.059 0.033 0.000 1.135 582 L HN -0.077 nan 8.230 nan 0.000 0.445 583 K N 2.541 122.948 120.400 0.012 0.000 2.352 583 K HA 0.123 4.480 4.320 0.062 0.000 0.194 583 K C -0.134 176.458 176.600 -0.013 0.000 1.038 583 K CA 0.380 56.670 56.287 0.005 0.000 1.023 583 K CB 0.496 32.997 32.500 0.001 0.000 0.840 583 K HN 0.661 nan 8.250 nan 0.000 0.519 584 K N -0.497 119.891 120.400 -0.021 0.000 2.772 584 K HA 0.225 4.582 4.320 0.062 0.000 0.292 584 K C -2.068 174.512 176.600 -0.033 0.000 1.049 584 K CA -0.867 55.391 56.287 -0.048 0.000 0.846 584 K CB 1.089 33.541 32.500 -0.081 0.000 1.514 584 K HN -0.251 nan 8.250 nan 0.000 0.373 585 D N 1.113 121.485 120.400 -0.046 0.000 2.478 585 D HA 0.305 4.983 4.640 0.062 0.000 0.240 585 D C -2.278 174.001 176.300 -0.035 0.000 1.364 585 D CA -1.888 52.103 54.000 -0.014 0.000 0.987 585 D CB 2.200 43.013 40.800 0.021 0.000 1.328 585 D HN 0.255 nan 8.370 nan 0.000 0.584 586 P HA -0.064 nan 4.420 nan 0.000 0.228 586 P C 1.152 178.439 177.300 -0.022 0.000 1.151 586 P CA 0.684 63.750 63.100 -0.056 0.000 0.770 586 P CB 0.219 31.896 31.700 -0.038 0.000 0.786 587 S N -1.277 114.443 115.700 0.033 0.000 2.555 587 S HA 0.006 4.513 4.470 0.062 0.000 0.230 587 S C 1.582 176.256 174.600 0.125 0.000 0.978 587 S CA 0.535 58.791 58.200 0.092 0.000 0.934 587 S CB -1.224 62.061 63.200 0.142 0.000 0.766 587 S HN 0.151 nan 8.310 nan 0.000 0.533 588 L N 1.292 122.546 121.223 0.052 0.000 2.492 588 L HA 0.210 4.587 4.340 0.062 0.000 0.223 588 L C 1.408 178.163 176.870 -0.192 0.000 1.132 588 L CA 0.054 54.914 54.840 0.034 0.000 0.850 588 L CB -0.212 41.840 42.059 -0.012 0.000 0.966 588 L HN 0.319 nan 8.230 nan 0.000 0.454 589 S N -0.367 115.209 115.700 -0.207 0.000 2.586 589 S HA 0.275 4.783 4.470 0.062 0.000 0.274 589 S C 1.155 175.628 174.600 -0.212 0.000 1.281 589 S CA -0.624 57.397 58.200 -0.298 0.000 1.035 589 S CB 1.275 64.303 63.200 -0.287 0.000 0.962 589 S HN 0.171 nan 8.310 nan 0.000 0.512 590 L N 3.159 124.175 121.223 -0.345 0.000 2.141 590 L HA -0.037 4.340 4.340 0.062 0.000 0.209 590 L C 0.927 177.516 176.870 -0.468 0.000 1.094 590 L CA 1.282 55.809 54.840 -0.522 0.000 0.763 590 L CB -0.319 41.089 42.059 -1.087 0.000 0.908 590 L HN 0.764 nan 8.230 nan 0.000 0.437 591 Y N -2.422 117.871 120.300 -0.012 0.000 2.432 591 Y HA 0.331 4.919 4.550 0.062 0.000 0.252 591 Y C 2.145 178.061 175.900 0.028 0.000 1.097 591 Y CA -0.179 57.964 58.100 0.070 0.000 1.250 591 Y CB -0.447 38.088 38.460 0.125 0.000 1.245 591 Y HN -0.057 nan 8.280 nan 0.000 0.522 592 A N 0.430 123.272 122.820 0.037 0.000 1.972 592 A HA -0.035 4.322 4.320 0.062 0.000 0.219 592 A C 0.842 178.459 177.584 0.054 0.000 1.169 592 A CA 1.160 53.197 52.037 -0.001 0.000 0.635 592 A CB -0.474 18.466 19.000 -0.098 0.000 0.810 592 A HN 0.138 nan 8.150 nan 0.000 0.446 593 I N 0.666 121.275 120.570 0.065 0.000 2.328 593 I HA 0.290 4.497 4.170 0.062 0.000 0.287 593 I C -2.643 173.543 176.117 0.116 0.000 1.012 593 I CA -2.940 58.405 61.300 0.076 0.000 1.195 593 I CB 0.462 38.497 38.000 0.058 0.000 1.350 593 I HN -0.050 nan 8.210 nan 0.000 0.464 594 P HA 0.018 nan 4.420 nan 0.000 0.261 594 P C -0.053 177.321 177.300 0.122 0.000 1.173 594 P CA 0.513 63.701 63.100 0.147 0.000 0.760 594 P CB 0.451 32.221 31.700 0.117 0.000 0.783 595 D N 1.232 121.715 120.400 0.137 0.000 2.881 595 D HA 0.104 4.781 4.640 0.062 0.000 0.325 595 D C 0.377 176.739 176.300 0.103 0.000 1.621 595 D CA -0.446 53.617 54.000 0.106 0.000 0.785 595 D CB -0.491 40.369 40.800 0.100 0.000 1.233 595 D HN 0.320 nan 8.370 nan 0.000 0.447 596 G N 0.158 109.026 108.800 0.112 0.000 2.491 596 G HA2 0.363 4.360 3.960 0.062 0.000 0.242 596 G HA3 0.363 4.360 3.960 0.062 0.000 0.242 596 G C -0.636 174.301 174.900 0.062 0.000 1.266 596 G CA -0.000 45.160 45.100 0.100 0.000 0.844 596 G HN 0.198 nan 8.290 nan 0.000 0.571 597 D N 0.665 121.095 120.400 0.049 0.000 2.763 597 D HA 0.151 4.829 4.640 0.062 0.000 0.235 597 D C 0.869 177.180 176.300 0.018 0.000 1.334 597 D CA -0.561 53.453 54.000 0.024 0.000 0.950 597 D CB 1.659 42.467 40.800 0.013 0.000 1.433 597 D HN 0.323 nan 8.370 nan 0.000 0.580 598 V N 1.846 121.764 119.914 0.007 0.000 3.541 598 V HA 0.233 4.390 4.120 0.062 0.000 0.267 598 V C 1.010 177.086 176.094 -0.030 0.000 1.213 598 V CA 0.122 62.421 62.300 -0.000 0.000 1.149 598 V CB -0.726 31.092 31.823 -0.008 0.000 0.822 598 V HN 0.402 nan 8.190 nan 0.000 0.462 599 K N 1.280 121.655 120.400 -0.042 0.000 2.451 599 K HA 0.396 4.753 4.320 0.062 0.000 0.280 599 K C 1.248 177.806 176.600 -0.069 0.000 1.020 599 K CA 1.018 57.258 56.287 -0.079 0.000 1.008 599 K CB 0.176 32.635 32.500 -0.070 0.000 0.917 599 K HN 0.686 nan 8.250 nan 0.000 0.478 600 G N 3.113 111.841 108.800 -0.120 0.000 2.195 600 G HA2 -0.216 3.781 3.960 0.062 0.000 0.246 600 G HA3 -0.216 3.781 3.960 0.062 0.000 0.246 600 G C 0.097 175.043 174.900 0.077 0.000 0.984 600 G CA -0.203 44.901 45.100 0.007 0.000 0.633 600 G HN 0.573 nan 8.290 nan 0.000 0.525 601 R N -0.178 120.335 120.500 0.022 0.000 2.726 601 R HA 0.652 5.029 4.340 0.062 0.000 0.272 601 R C 0.081 176.437 176.300 0.093 0.000 1.097 601 R CA -0.021 56.121 56.100 0.071 0.000 1.198 601 R CB 0.877 31.210 30.300 0.056 0.000 1.114 601 R HN 0.668 nan 8.270 nan 0.000 0.550 602 V N 0.578 120.566 119.914 0.123 0.000 2.841 602 V HA 0.415 4.572 4.120 0.062 0.000 0.310 602 V C -1.015 175.146 176.094 0.112 0.000 1.090 602 V CA -0.754 61.634 62.300 0.147 0.000 0.930 602 V CB 2.466 34.400 31.823 0.184 0.000 1.014 602 V HN 0.361 nan 8.190 nan 0.000 0.425 603 V N 5.613 125.586 119.914 0.100 0.000 2.581 603 V HA 0.815 4.972 4.120 0.062 0.000 0.303 603 V C 0.532 176.684 176.094 0.096 0.000 1.041 603 V CA -0.129 62.220 62.300 0.081 0.000 0.907 603 V CB 1.764 33.620 31.823 0.056 0.000 0.994 603 V HN 1.169 nan 8.190 nan 0.000 0.442 604 A N 5.691 128.574 122.820 0.106 0.000 2.331 604 A HA 0.780 5.137 4.320 0.062 0.000 0.283 604 A C -0.499 177.098 177.584 0.021 0.000 1.142 604 A CA -0.284 51.801 52.037 0.080 0.000 0.812 604 A CB 0.168 19.235 19.000 0.112 0.000 1.074 604 A HN 0.752 nan 8.150 nan 0.000 0.497 605 I N 3.232 123.808 120.570 0.011 0.000 2.382 605 I HA 0.204 4.411 4.170 0.062 0.000 0.286 605 I C -0.678 175.445 176.117 0.010 0.000 1.002 605 I CA -0.250 61.057 61.300 0.012 0.000 1.135 605 I CB 1.483 39.503 38.000 0.033 0.000 1.288 605 I HN 0.496 nan 8.210 nan 0.000 0.448 606 L N 7.248 128.463 121.223 -0.015 0.000 2.283 606 L HA 0.395 4.772 4.340 0.062 0.000 0.287 606 L C 0.017 176.988 176.870 0.167 0.000 1.073 606 L CA -0.321 54.564 54.840 0.076 0.000 0.822 606 L CB 0.259 42.220 42.059 -0.163 0.000 1.186 606 L HN 0.432 nan 8.230 nan 0.000 0.436 607 L N 3.586 124.957 121.223 0.247 0.000 2.456 607 L HA 0.327 4.704 4.340 0.062 0.000 0.257 607 L C 0.156 177.195 176.870 0.281 0.000 1.162 607 L CA -0.465 54.466 54.840 0.151 0.000 0.808 607 L CB 0.951 42.995 42.059 -0.025 0.000 1.136 607 L HN 0.693 nan 8.230 nan 0.000 0.466 608 N N -2.074 116.696 118.700 0.115 0.000 2.701 608 N HA 0.243 5.020 4.740 0.062 0.000 0.290 608 N C -0.375 175.092 175.510 -0.072 0.000 1.338 608 N CA -0.768 52.391 53.050 0.181 0.000 0.799 608 N CB 0.734 39.330 38.487 0.180 0.000 1.491 608 N HN 0.541 nan 8.380 nan 0.000 0.540 609 D N -1.825 118.575 120.400 -0.001 0.000 2.349 609 D HA -0.033 4.644 4.640 0.062 0.000 0.224 609 D C -0.416 175.846 176.300 -0.062 0.000 1.029 609 D CA 0.673 54.610 54.000 -0.104 0.000 0.879 609 D CB -0.085 40.731 40.800 0.026 0.000 0.906 609 D HN 0.703 nan 8.370 nan 0.000 0.528 610 E N 0.606 120.789 120.200 -0.030 0.000 3.626 610 E HA 0.189 4.576 4.350 0.062 0.000 0.245 610 E C -1.006 175.581 176.600 -0.022 0.000 1.236 610 E CA -0.366 56.018 56.400 -0.028 0.000 1.072 610 E CB 1.358 31.051 29.700 -0.012 0.000 1.309 610 E HN -0.093 nan 8.360 nan 0.000 0.400 611 V N 1.884 121.775 119.914 -0.037 0.000 2.788 611 V HA -0.005 4.152 4.120 0.062 0.000 0.307 611 V C 0.961 177.039 176.094 -0.025 0.000 1.069 611 V CA 0.484 62.769 62.300 -0.025 0.000 1.173 611 V CB 0.763 32.564 31.823 -0.036 0.000 0.925 611 V HN 0.457 nan 8.190 nan 0.000 0.492 612 R N 3.116 123.602 120.500 -0.023 0.000 2.309 612 R HA 0.072 4.449 4.340 0.062 0.000 0.331 612 R C 1.544 177.824 176.300 -0.034 0.000 1.116 612 R CA 0.466 56.548 56.100 -0.030 0.000 0.970 612 R CB 0.401 30.679 30.300 -0.037 0.000 1.024 612 R HN 1.006 nan 8.270 nan 0.000 0.472 613 S N 3.269 118.951 115.700 -0.031 0.000 2.399 613 S HA -0.192 4.315 4.470 0.062 0.000 0.231 613 S C 1.945 176.526 174.600 -0.031 0.000 1.022 613 S CA 0.901 59.083 58.200 -0.029 0.000 0.983 613 S CB -0.036 63.149 63.200 -0.025 0.000 0.803 613 S HN 0.676 nan 8.310 nan 0.000 0.480 614 A N 2.137 124.935 122.820 -0.036 0.000 1.933 614 A HA -0.102 4.255 4.320 0.062 0.000 0.218 614 A C 1.976 179.527 177.584 -0.055 0.000 1.175 614 A CA 1.648 53.661 52.037 -0.041 0.000 0.628 614 A CB -0.805 18.170 19.000 -0.042 0.000 0.814 614 A HN 0.476 nan 8.150 nan 0.000 0.444 615 D N -0.513 119.845 120.400 -0.069 0.000 2.097 615 D HA -0.113 4.564 4.640 0.062 0.000 0.197 615 D C 1.850 178.114 176.300 -0.061 0.000 0.984 615 D CA 1.170 55.111 54.000 -0.100 0.000 0.826 615 D CB -0.375 40.356 40.800 -0.115 0.000 0.973 615 D HN 0.317 nan 8.370 nan 0.000 0.460 616 L N 0.347 121.548 121.223 -0.037 0.000 2.046 616 L HA -0.111 4.266 4.340 0.062 0.000 0.208 616 L C 2.099 178.963 176.870 -0.009 0.000 1.077 616 L CA 1.162 55.992 54.840 -0.016 0.000 0.747 616 L CB -0.582 41.468 42.059 -0.014 0.000 0.896 616 L HN -0.022 nan 8.230 nan 0.000 0.432 617 L N -0.290 120.923 121.223 -0.016 0.000 2.013 617 L HA -0.209 4.168 4.340 0.062 0.000 0.212 617 L C 2.616 179.483 176.870 -0.005 0.000 1.073 617 L CA 2.174 57.008 54.840 -0.010 0.000 0.753 617 L CB -1.193 40.858 42.059 -0.014 0.000 0.890 617 L HN 0.354 nan 8.230 nan 0.000 0.432 618 A N -0.836 121.977 122.820 -0.013 0.000 1.902 618 A HA -0.179 4.178 4.320 0.062 0.000 0.217 618 A C 2.280 179.878 177.584 0.023 0.000 1.181 618 A CA 1.908 53.943 52.037 -0.004 0.000 0.623 618 A CB -0.751 18.232 19.000 -0.029 0.000 0.818 618 A HN 0.422 nan 8.150 nan 0.000 0.443 619 I N -0.319 120.266 120.570 0.026 0.000 2.142 619 I HA -0.247 3.960 4.170 0.062 0.000 0.240 619 I C 2.335 178.480 176.117 0.047 0.000 1.078 619 I CA 1.177 62.516 61.300 0.066 0.000 1.343 619 I CB -0.313 37.730 38.000 0.071 0.000 1.046 619 I HN 0.272 nan 8.210 nan 0.000 0.405 620 L N 0.500 121.741 121.223 0.030 0.000 2.141 620 L HA -0.198 4.179 4.340 0.062 0.000 0.209 620 L C 2.593 179.475 176.870 0.019 0.000 1.094 620 L CA 1.228 56.083 54.840 0.026 0.000 0.763 620 L CB -0.597 41.475 42.059 0.021 0.000 0.908 620 L HN 0.256 nan 8.230 nan 0.000 0.437 621 K N 0.755 121.165 120.400 0.017 0.000 2.057 621 K HA -0.163 4.194 4.320 0.062 0.000 0.206 621 K C 2.156 178.764 176.600 0.013 0.000 1.050 621 K CA 1.356 57.650 56.287 0.012 0.000 0.935 621 K CB -0.055 32.451 32.500 0.010 0.000 0.715 621 K HN 0.231 nan 8.250 nan 0.000 0.439 622 A N 1.366 124.200 122.820 0.022 0.000 1.898 622 A HA -0.057 4.300 4.320 0.062 0.000 0.216 622 A C 2.121 179.711 177.584 0.009 0.000 1.181 622 A CA 1.063 53.114 52.037 0.022 0.000 0.620 622 A CB -0.549 18.478 19.000 0.044 0.000 0.819 622 A HN 0.310 nan 8.150 nan 0.000 0.442 623 L N -0.507 120.722 121.223 0.011 0.000 2.012 623 L HA -0.229 4.148 4.340 0.062 0.000 0.210 623 L C 2.640 179.490 176.870 -0.033 0.000 1.073 623 L CA 2.038 56.873 54.840 -0.010 0.000 0.748 623 L CB -0.536 41.525 42.059 0.003 0.000 0.891 623 L HN 0.469 nan 8.230 nan 0.000 0.431 624 K N 0.575 120.965 120.400 -0.017 0.000 2.032 624 K HA -0.226 4.131 4.320 0.062 0.000 0.209 624 K C 2.108 178.690 176.600 -0.030 0.000 1.048 624 K CA 1.566 57.840 56.287 -0.022 0.000 0.927 624 K CB -0.155 32.343 32.500 -0.002 0.000 0.712 624 K HN 0.278 nan 8.250 nan 0.000 0.441 625 A N 0.931 123.741 122.820 -0.018 0.000 2.076 625 A HA -0.133 4.225 4.320 0.062 0.000 0.220 625 A C 1.585 179.152 177.584 -0.027 0.000 1.160 625 A CA 1.453 53.480 52.037 -0.017 0.000 0.653 625 A CB -0.126 18.870 19.000 -0.007 0.000 0.801 625 A HN 0.206 nan 8.150 nan 0.000 0.455 626 K N -1.779 118.598 120.400 -0.039 0.000 2.358 626 K HA 0.221 4.578 4.320 0.062 0.000 0.200 626 K C 0.912 177.462 176.600 -0.084 0.000 1.030 626 K CA 0.628 56.886 56.287 -0.048 0.000 1.097 626 K CB 0.308 32.786 32.500 -0.037 0.000 0.862 626 K HN 0.707 nan 8.250 nan 0.000 0.534 627 G N 1.743 110.475 108.800 -0.114 0.000 2.176 627 G HA2 -0.226 3.771 3.960 0.062 0.000 0.252 627 G HA3 -0.226 3.771 3.960 0.062 0.000 0.252 627 G C 0.036 174.726 174.900 -0.351 0.000 1.024 627 G CA 0.217 45.199 45.100 -0.198 0.000 0.755 627 G HN 0.099 nan 8.290 nan 0.000 0.507 628 V N 2.279 122.032 119.914 -0.269 0.000 2.439 628 V HA 0.491 4.648 4.120 0.062 0.000 0.282 628 V C 0.682 176.616 176.094 -0.267 0.000 1.039 628 V CA -1.120 61.019 62.300 -0.268 0.000 0.913 628 V CB 1.293 33.056 31.823 -0.100 0.000 0.983 628 V HN 0.356 nan 8.190 nan 0.000 0.460 629 H N 2.354 121.436 119.070 0.020 0.000 2.495 629 H HA 0.786 5.379 4.556 0.062 0.000 0.350 629 H C 0.096 175.444 175.328 0.033 0.000 1.202 629 H CA -0.239 55.823 56.048 0.023 0.000 1.322 629 H CB 1.907 31.684 29.762 0.025 0.000 1.544 629 H HN 0.765 nan 8.280 nan 0.000 0.565 630 A N 1.295 124.220 122.820 0.175 0.000 2.401 630 A HA 0.513 4.870 4.320 0.062 0.000 0.310 630 A C -0.615 177.027 177.584 0.097 0.000 1.075 630 A CA -0.925 51.179 52.037 0.112 0.000 0.746 630 A CB 1.298 20.345 19.000 0.078 0.000 1.277 630 A HN 0.732 nan 8.150 nan 0.000 0.425 631 K N 2.429 122.880 120.400 0.086 0.000 2.323 631 K HA 0.684 5.041 4.320 0.062 0.000 0.259 631 K C -1.546 175.085 176.600 0.051 0.000 0.947 631 K CA -0.492 55.837 56.287 0.070 0.000 0.819 631 K CB 1.345 33.897 32.500 0.087 0.000 1.109 631 K HN 0.523 nan 8.250 nan 0.000 0.429 632 L N 5.399 126.643 121.223 0.034 0.000 2.261 632 L HA 0.371 4.748 4.340 0.062 0.000 0.289 632 L C -0.458 176.419 176.870 0.013 0.000 1.059 632 L CA -0.732 54.120 54.840 0.021 0.000 0.816 632 L CB 0.303 42.364 42.059 0.004 0.000 1.191 632 L HN 0.542 nan 8.230 nan 0.000 0.431 633 L N 3.517 124.755 121.223 0.024 0.000 2.333 633 L HA 0.613 4.990 4.340 0.062 0.000 0.269 633 L C -0.876 175.940 176.870 -0.090 0.000 1.010 633 L CA -0.797 54.025 54.840 -0.029 0.000 0.818 633 L CB 2.096 44.170 42.059 0.026 0.000 1.306 633 L HN 0.390 nan 8.230 nan 0.000 0.430 634 Y N -0.718 119.186 120.300 -0.661 0.000 2.840 634 Y HA 0.169 4.756 4.550 0.062 0.000 0.324 634 Y C 0.766 175.861 175.900 -1.343 0.000 1.378 634 Y CA -0.724 56.836 58.100 -0.900 0.000 1.077 634 Y CB 1.597 39.857 38.460 -0.333 0.000 1.361 634 Y HN 0.550 nan 8.280 nan 0.000 0.459 635 S N 0.710 115.496 115.700 -1.523 0.000 2.593 635 S HA 0.254 4.761 4.470 0.062 0.000 0.217 635 S C 0.037 174.333 174.600 -0.508 0.000 0.966 635 S CA 0.361 58.019 58.200 -0.903 0.000 0.914 635 S CB -0.235 62.573 63.200 -0.655 0.000 0.776 635 S HN 0.615 nan 8.310 nan 0.000 0.523 636 R N -1.374 118.898 120.500 -0.379 0.000 2.766 636 R HA 0.633 5.010 4.340 0.062 0.000 0.270 636 R C -0.808 175.476 176.300 -0.026 0.000 1.035 636 R CA -1.141 54.882 56.100 -0.130 0.000 0.911 636 R CB 0.467 30.738 30.300 -0.048 0.000 1.243 636 R HN -0.054 nan 8.270 nan 0.000 0.460 637 M N 0.002 119.596 119.600 -0.010 0.000 2.154 637 M HA 0.520 5.037 4.480 0.062 0.000 0.251 637 M C 1.001 177.317 176.300 0.027 0.000 1.200 637 M CA 0.841 56.144 55.300 0.006 0.000 0.967 637 M CB 0.511 33.107 32.600 -0.007 0.000 1.362 637 M HN 1.046 nan 8.290 nan 0.000 0.522 638 G N 0.823 109.630 108.800 0.012 0.000 2.601 638 G HA2 -0.134 3.863 3.960 0.062 0.000 0.224 638 G HA3 -0.134 3.863 3.960 0.062 0.000 0.224 638 G C -0.863 174.032 174.900 -0.008 0.000 1.171 638 G CA -0.441 44.663 45.100 0.006 0.000 1.009 638 G HN 0.631 nan 8.290 nan 0.000 0.589 639 E N -0.923 119.265 120.200 -0.020 0.000 2.393 639 E HA 0.623 5.010 4.350 0.062 0.000 0.273 639 E C -0.403 176.138 176.600 -0.097 0.000 0.918 639 E CA -0.540 55.829 56.400 -0.053 0.000 0.773 639 E CB 2.939 32.615 29.700 -0.041 0.000 1.275 639 E HN 1.238 nan 8.360 nan 0.000 0.451 640 V N -1.841 117.979 119.914 -0.156 0.000 3.001 640 V HA 0.715 4.872 4.120 0.062 0.000 0.314 640 V C -0.476 175.538 176.094 -0.133 0.000 1.099 640 V CA -0.720 61.459 62.300 -0.202 0.000 0.989 640 V CB 1.952 33.527 31.823 -0.413 0.000 1.040 640 V HN 0.626 nan 8.190 nan 0.000 0.434 641 T N 2.397 116.886 114.554 -0.108 0.000 2.797 641 T HA 0.778 5.165 4.350 0.062 0.000 0.279 641 T C 0.340 174.998 174.700 -0.069 0.000 0.991 641 T CA 0.289 62.346 62.100 -0.072 0.000 0.979 641 T CB 1.391 70.230 68.868 -0.049 0.000 0.943 641 T HN 1.348 nan 8.240 nan 0.000 0.444 642 A N 2.246 125.032 122.820 -0.057 0.000 2.310 642 A HA 0.333 4.690 4.320 0.062 0.000 0.260 642 A C 1.577 179.140 177.584 -0.035 0.000 1.112 642 A CA -0.298 51.710 52.037 -0.047 0.000 0.804 642 A CB 0.026 19.002 19.000 -0.040 0.000 1.081 642 A HN 0.913 nan 8.150 nan 0.000 0.499 643 D N -0.286 120.096 120.400 -0.030 0.000 2.265 643 D HA -0.184 4.493 4.640 0.062 0.000 0.208 643 D C 0.524 176.811 176.300 -0.021 0.000 0.977 643 D CA 1.555 55.541 54.000 -0.023 0.000 0.871 643 D CB -0.231 40.557 40.800 -0.021 0.000 0.925 643 D HN 0.587 nan 8.370 nan 0.000 0.485 644 D N -1.697 118.689 120.400 -0.022 0.000 2.402 644 D HA 0.219 4.896 4.640 0.062 0.000 0.216 644 D C 1.591 177.879 176.300 -0.019 0.000 1.128 644 D CA 0.286 54.275 54.000 -0.019 0.000 0.833 644 D CB -0.002 40.787 40.800 -0.018 0.000 0.971 644 D HN 0.330 nan 8.370 nan 0.000 0.503 645 G N 0.002 108.790 108.800 -0.021 0.000 2.195 645 G HA2 -0.271 3.727 3.960 0.062 0.000 0.246 645 G HA3 -0.271 3.727 3.960 0.062 0.000 0.246 645 G C 0.457 175.343 174.900 -0.023 0.000 0.984 645 G CA 0.230 45.318 45.100 -0.021 0.000 0.633 645 G HN 0.423 nan 8.290 nan 0.000 0.525 646 T N 1.636 116.175 114.554 -0.025 0.000 2.829 646 T HA 0.390 4.777 4.350 0.062 0.000 0.293 646 T C 0.726 175.406 174.700 -0.032 0.000 0.970 646 T CA 0.200 62.285 62.100 -0.025 0.000 1.168 646 T CB 1.754 70.608 68.868 -0.024 0.000 0.911 646 T HN 0.447 nan 8.240 nan 0.000 0.535 647 V N 6.367 126.264 119.914 -0.029 0.000 2.455 647 V HA 0.232 4.389 4.120 0.062 0.000 0.273 647 V C 0.337 176.408 176.094 -0.038 0.000 1.045 647 V CA -0.380 61.899 62.300 -0.036 0.000 0.976 647 V CB 0.433 32.239 31.823 -0.028 0.000 0.993 647 V HN 0.677 nan 8.190 nan 0.000 0.475 648 L N 8.614 129.804 121.223 -0.055 0.000 2.277 648 L HA 0.432 4.810 4.340 0.062 0.000 0.284 648 L C -2.243 174.593 176.870 -0.056 0.000 1.028 648 L CA -1.782 53.025 54.840 -0.055 0.000 0.835 648 L CB 1.649 43.663 42.059 -0.076 0.000 1.215 648 L HN 0.431 nan 8.230 nan 0.000 0.425 649 P HA 0.197 nan 4.420 nan 0.000 0.275 649 P C -0.472 176.811 177.300 -0.027 0.000 1.227 649 P CA -0.058 63.026 63.100 -0.027 0.000 0.781 649 P CB 1.054 32.745 31.700 -0.014 0.000 0.906 650 I N 2.040 122.595 120.570 -0.025 0.000 2.331 650 I HA 0.213 4.420 4.170 0.062 0.000 0.292 650 I C 1.580 177.692 176.117 -0.008 0.000 0.998 650 I CA -0.429 60.860 61.300 -0.018 0.000 1.267 650 I CB 1.408 39.405 38.000 -0.006 0.000 1.386 650 I HN 0.367 nan 8.210 nan 0.000 0.476 651 A N 5.398 128.217 122.820 -0.003 0.000 1.929 651 A HA 0.473 4.831 4.320 0.062 0.000 0.216 651 A C 1.002 178.590 177.584 0.007 0.000 1.176 651 A CA 1.368 53.409 52.037 0.008 0.000 0.628 651 A CB -0.011 19.002 19.000 0.022 0.000 0.816 651 A HN 0.824 nan 8.150 nan 0.000 0.444 652 A N -2.186 120.632 122.820 -0.004 0.000 2.586 652 A HA 0.554 4.911 4.320 0.062 0.000 0.291 652 A C -0.017 177.528 177.584 -0.064 0.000 1.062 652 A CA 0.050 52.082 52.037 -0.008 0.000 0.666 652 A CB -0.286 18.736 19.000 0.037 0.000 1.281 652 A HN 0.831 nan 8.150 nan 0.000 0.421 653 T N -1.268 113.239 114.554 -0.079 0.000 2.788 653 T HA 0.511 4.898 4.350 0.062 0.000 0.287 653 T C 1.053 175.710 174.700 -0.072 0.000 1.007 653 T CA 0.262 62.248 62.100 -0.191 0.000 1.005 653 T CB -0.049 68.735 68.868 -0.140 0.000 1.012 653 T HN 0.498 nan 8.240 nan 0.000 0.530 654 F N 0.684 120.656 119.950 0.038 0.000 2.091 654 F HA -0.082 4.482 4.527 0.062 0.000 0.299 654 F C 2.970 178.903 175.800 0.222 0.000 1.103 654 F CA 1.163 59.234 58.000 0.118 0.000 1.228 654 F CB -0.720 38.328 39.000 0.079 0.000 0.984 654 F HN 0.708 nan 8.300 nan 0.000 0.477 655 A N 0.201 123.192 122.820 0.286 0.000 1.968 655 A HA 0.053 4.410 4.320 0.062 0.000 0.217 655 A C 2.412 180.071 177.584 0.126 0.000 1.169 655 A CA 1.360 53.507 52.037 0.182 0.000 0.638 655 A CB -1.378 17.687 19.000 0.109 0.000 0.812 655 A HN 0.396 nan 8.150 nan 0.000 0.446 656 G N -0.834 108.026 108.800 0.101 0.000 2.421 656 G HA2 0.278 4.276 3.960 0.062 0.000 0.217 656 G HA3 0.278 4.276 3.960 0.062 0.000 0.217 656 G C 0.644 175.599 174.900 0.093 0.000 1.143 656 G CA 0.960 46.101 45.100 0.068 0.000 0.784 656 G HN 1.059 nan 8.290 nan 0.000 0.541 657 A N 0.786 123.699 122.820 0.155 0.000 2.893 657 A HA 0.710 5.067 4.320 0.062 0.000 0.333 657 A C -2.683 175.058 177.584 0.262 0.000 1.152 657 A CA -1.161 50.981 52.037 0.174 0.000 0.782 657 A CB 1.377 20.480 19.000 0.171 0.000 1.108 657 A HN 0.088 nan 8.150 nan 0.000 0.469 658 P HA 0.075 nan 4.420 nan 0.000 0.271 658 P C 1.365 178.504 177.300 -0.269 0.000 1.244 658 P CA 0.200 63.257 63.100 -0.072 0.000 0.793 658 P CB 0.712 32.353 31.700 -0.097 0.000 0.984 659 S N 0.154 115.336 115.700 -0.864 0.000 2.442 659 S HA -0.132 4.375 4.470 0.062 0.000 0.236 659 S C 1.780 176.236 174.600 -0.240 0.000 1.007 659 S CA 0.973 58.795 58.200 -0.629 0.000 0.965 659 S CB -1.382 61.347 63.200 -0.785 0.000 0.773 659 S HN 0.321 nan 8.310 nan 0.000 0.504 660 L N 1.871 122.956 121.223 -0.230 0.000 2.189 660 L HA -0.108 4.269 4.340 0.062 0.000 0.214 660 L C 2.902 179.595 176.870 -0.296 0.000 1.097 660 L CA 1.660 56.360 54.840 -0.234 0.000 0.764 660 L CB -1.417 40.479 42.059 -0.272 0.000 0.900 660 L HN 0.645 nan 8.230 nan 0.000 0.436 661 T N -3.329 111.127 114.554 -0.163 0.000 3.107 661 T HA 0.240 4.627 4.350 0.062 0.000 0.249 661 T C 0.347 175.149 174.700 0.170 0.000 1.096 661 T CA 0.154 62.246 62.100 -0.013 0.000 1.012 661 T CB -0.291 68.660 68.868 0.138 0.000 0.977 661 T HN 0.158 nan 8.240 nan 0.000 0.527 662 V N -2.764 117.204 119.914 0.090 0.000 3.126 662 V HA 0.585 4.742 4.120 0.062 0.000 0.314 662 V C -0.272 175.869 176.094 0.079 0.000 1.138 662 V CA -0.971 61.408 62.300 0.132 0.000 1.034 662 V CB 2.164 34.080 31.823 0.156 0.000 1.075 662 V HN -0.012 nan 8.190 nan 0.000 0.442 663 D N 0.897 121.345 120.400 0.082 0.000 2.366 663 D HA 0.518 5.196 4.640 0.062 0.000 0.205 663 D C 0.548 176.835 176.300 -0.022 0.000 1.022 663 D CA 1.461 55.482 54.000 0.036 0.000 0.868 663 D CB 1.530 42.374 40.800 0.074 0.000 0.953 663 D HN 1.015 nan 8.370 nan 0.000 0.514 664 A N 0.020 122.843 122.820 0.005 0.000 2.586 664 A HA 0.529 4.886 4.320 0.062 0.000 0.291 664 A C -1.672 175.928 177.584 0.026 0.000 1.062 664 A CA -0.555 51.470 52.037 -0.019 0.000 0.666 664 A CB 1.389 20.362 19.000 -0.045 0.000 1.281 664 A HN -0.108 nan 8.150 nan 0.000 0.421 665 V N 1.032 120.952 119.914 0.010 0.000 2.638 665 V HA 0.578 4.735 4.120 0.062 0.000 0.306 665 V C -0.718 175.377 176.094 0.001 0.000 1.052 665 V CA -0.205 62.115 62.300 0.032 0.000 0.885 665 V CB 1.557 33.415 31.823 0.059 0.000 0.999 665 V HN 0.702 nan 8.190 nan 0.000 0.424 666 I N 4.178 124.756 120.570 0.014 0.000 2.509 666 I HA 0.595 4.803 4.170 0.062 0.000 0.293 666 I C -0.889 175.250 176.117 0.035 0.000 1.020 666 I CA -0.985 60.349 61.300 0.056 0.000 1.088 666 I CB 2.323 40.389 38.000 0.109 0.000 1.267 666 I HN 0.279 nan 8.210 nan 0.000 0.430 667 V N 7.166 127.120 119.914 0.067 0.000 2.376 667 V HA 0.369 4.527 4.120 0.062 0.000 0.287 667 V C -2.219 173.932 176.094 0.094 0.000 1.015 667 V CA -1.552 60.772 62.300 0.040 0.000 0.834 667 V CB 1.365 33.175 31.823 -0.020 0.000 1.001 667 V HN 0.556 nan 8.190 nan 0.000 0.428 668 P HA 0.426 nan 4.420 nan 0.000 0.278 668 P C -0.165 177.153 177.300 0.031 0.000 1.258 668 P CA -0.198 62.917 63.100 0.024 0.000 0.811 668 P CB 1.311 33.016 31.700 0.008 0.000 1.063 669 A N 0.550 123.365 122.820 -0.010 0.000 2.292 669 A HA 0.659 5.016 4.320 0.062 0.000 0.265 669 A C 0.833 178.423 177.584 0.009 0.000 1.133 669 A CA 0.720 52.759 52.037 0.003 0.000 0.807 669 A CB -0.914 18.068 19.000 -0.031 0.000 1.102 669 A HN 0.854 nan 8.150 nan 0.000 0.502 670 G N -0.652 108.154 108.800 0.010 0.000 2.240 670 G HA2 0.046 4.043 3.960 0.062 0.000 0.199 670 G HA3 0.046 4.043 3.960 0.062 0.000 0.199 670 G C -0.472 174.439 174.900 0.019 0.000 1.342 670 G CA 0.021 45.126 45.100 0.009 0.000 1.145 670 G HN 1.132 nan 8.290 nan 0.000 0.477 671 N N 1.911 120.629 118.700 0.028 0.000 3.050 671 N HA 0.234 5.011 4.740 0.062 0.000 0.289 671 N C 1.828 177.374 175.510 0.060 0.000 1.209 671 N CA -0.373 52.698 53.050 0.036 0.000 1.154 671 N CB -0.328 38.181 38.487 0.037 0.000 1.444 671 N HN 0.406 nan 8.380 nan 0.000 0.529 672 I N 0.764 121.361 120.570 0.045 0.000 2.264 672 I HA -0.268 3.939 4.170 0.062 0.000 0.248 672 I C 2.117 178.243 176.117 0.015 0.000 1.111 672 I CA 0.867 62.195 61.300 0.048 0.000 1.382 672 I CB -1.567 36.432 38.000 -0.002 0.000 1.060 672 I HN 0.452 nan 8.210 nan 0.000 0.418 673 A N 0.699 123.516 122.820 -0.005 0.000 1.997 673 A HA -0.315 4.042 4.320 0.062 0.000 0.221 673 A C 2.088 179.692 177.584 0.033 0.000 1.172 673 A CA 2.297 54.329 52.037 -0.008 0.000 0.645 673 A CB -0.838 18.158 19.000 -0.007 0.000 0.813 673 A HN 0.464 nan 8.150 nan 0.000 0.454 674 D N 0.182 120.629 120.400 0.078 0.000 2.149 674 D HA -0.149 4.528 4.640 0.062 0.000 0.198 674 D C 1.555 177.944 176.300 0.147 0.000 0.990 674 D CA 1.774 55.849 54.000 0.125 0.000 0.839 674 D CB -0.211 40.702 40.800 0.188 0.000 0.948 674 D HN 0.673 nan 8.370 nan 0.000 0.460 675 I N -3.960 116.716 120.570 0.177 0.000 4.082 675 I HA 0.479 4.686 4.170 0.062 0.000 0.337 675 I C 1.891 178.130 176.117 0.205 0.000 1.352 675 I CA -0.069 61.364 61.300 0.222 0.000 1.097 675 I CB 0.155 38.345 38.000 0.317 0.000 1.048 675 I HN -0.100 nan 8.210 nan 0.000 0.393 676 A N 1.707 124.551 122.820 0.039 0.000 1.948 676 A HA -0.183 4.174 4.320 0.062 0.000 0.220 676 A C 1.557 179.101 177.584 -0.067 0.000 1.177 676 A CA 2.152 54.074 52.037 -0.190 0.000 0.636 676 A CB -0.489 18.346 19.000 -0.274 0.000 0.815 676 A HN 0.522 nan 8.150 nan 0.000 0.449 677 D N -0.685 119.716 120.400 0.001 0.000 2.402 677 D HA 0.040 4.718 4.640 0.062 0.000 0.216 677 D C -0.029 176.301 176.300 0.051 0.000 1.128 677 D CA -0.192 53.817 54.000 0.016 0.000 0.833 677 D CB -0.215 40.586 40.800 0.000 0.000 0.971 677 D HN 0.364 nan 8.370 nan 0.000 0.503 678 N N 0.988 119.738 118.700 0.083 0.000 2.430 678 N HA 0.046 4.823 4.740 0.062 0.000 0.265 678 N C 1.303 176.859 175.510 0.076 0.000 1.100 678 N CA 0.027 53.128 53.050 0.084 0.000 0.961 678 N CB 1.592 40.150 38.487 0.118 0.000 1.075 678 N HN 0.001 nan 8.380 nan 0.000 0.478 679 G N 3.117 111.959 108.800 0.069 0.000 2.408 679 G HA2 -0.223 3.774 3.960 0.062 0.000 0.217 679 G HA3 -0.223 3.774 3.960 0.062 0.000 0.217 679 G C 0.938 175.894 174.900 0.094 0.000 1.150 679 G CA 0.441 45.583 45.100 0.070 0.000 0.776 679 G HN 0.598 nan 8.290 nan 0.000 0.542 680 D N 1.013 121.477 120.400 0.107 0.000 2.144 680 D HA 0.001 4.679 4.640 0.062 0.000 0.200 680 D C 2.793 179.101 176.300 0.013 0.000 0.978 680 D CA 1.110 55.203 54.000 0.156 0.000 0.833 680 D CB -0.397 40.565 40.800 0.271 0.000 0.961 680 D HN 0.294 nan 8.370 nan 0.000 0.470 681 A N 1.156 123.811 122.820 -0.274 0.000 1.877 681 A HA -0.202 4.155 4.320 0.062 0.000 0.216 681 A C 2.024 179.418 177.584 -0.317 0.000 1.186 681 A CA 1.318 52.951 52.037 -0.673 0.000 0.620 681 A CB -0.524 18.034 19.000 -0.737 0.000 0.822 681 A HN 0.164 nan 8.150 nan 0.000 0.443 682 N N -1.594 117.075 118.700 -0.051 0.000 2.120 682 N HA -0.190 4.588 4.740 0.062 0.000 0.188 682 N C 1.700 177.205 175.510 -0.007 0.000 1.024 682 N CA 1.808 54.874 53.050 0.027 0.000 0.852 682 N CB -0.423 38.151 38.487 0.144 0.000 1.003 682 N HN 0.699 nan 8.380 nan 0.000 0.424 683 Y N 0.534 120.804 120.300 -0.049 0.000 2.293 683 Y HA -0.249 4.338 4.550 0.062 0.000 0.291 683 Y C 2.365 178.215 175.900 -0.082 0.000 1.137 683 Y CA 1.108 59.174 58.100 -0.057 0.000 1.202 683 Y CB -0.328 38.107 38.460 -0.042 0.000 0.990 683 Y HN 0.026 nan 8.280 nan 0.000 0.537 684 Y N 0.460 120.627 120.300 -0.222 0.000 2.114 684 Y HA -0.332 4.255 4.550 0.062 0.000 0.282 684 Y C 2.049 177.746 175.900 -0.337 0.000 1.165 684 Y CA 2.186 60.125 58.100 -0.269 0.000 1.148 684 Y CB -0.486 37.810 38.460 -0.274 0.000 0.972 684 Y HN 0.128 nan 8.280 nan 0.000 0.504 685 L N -1.124 120.019 121.223 -0.134 0.000 2.093 685 L HA -0.258 4.119 4.340 0.062 0.000 0.208 685 L C 2.427 179.168 176.870 -0.215 0.000 1.085 685 L CA 1.389 56.127 54.840 -0.171 0.000 0.755 685 L CB -0.538 41.389 42.059 -0.221 0.000 0.904 685 L HN 0.292 nan 8.230 nan 0.000 0.435 686 M N -0.559 118.855 119.600 -0.310 0.000 2.117 686 M HA -0.220 4.297 4.480 0.062 0.000 0.262 686 M C 2.280 178.310 176.300 -0.450 0.000 1.065 686 M CA 1.704 56.809 55.300 -0.325 0.000 1.114 686 M CB -0.358 32.047 32.600 -0.326 0.000 1.361 686 M HN 0.215 nan 8.290 nan 0.000 0.408 687 E N 0.525 120.262 120.200 -0.771 0.000 2.077 687 E HA -0.186 4.202 4.350 0.062 0.000 0.193 687 E C 1.978 178.206 176.600 -0.620 0.000 0.989 687 E CA 1.307 57.232 56.400 -0.791 0.000 0.800 687 E CB 0.027 29.229 29.700 -0.830 0.000 0.746 687 E HN 0.474 nan 8.360 nan 0.000 0.452 688 A N 0.222 122.802 122.820 -0.399 0.000 1.933 688 A HA -0.200 4.158 4.320 0.062 0.000 0.218 688 A C 2.020 179.496 177.584 -0.180 0.000 1.175 688 A CA 1.415 53.308 52.037 -0.239 0.000 0.628 688 A CB -0.878 18.038 19.000 -0.139 0.000 0.814 688 A HN 0.555 nan 8.150 nan 0.000 0.444 689 Y N 0.518 120.654 120.300 -0.274 0.000 2.114 689 Y HA -0.212 4.375 4.550 0.062 0.000 0.284 689 Y C 2.402 178.173 175.900 -0.215 0.000 1.143 689 Y CA 2.384 60.355 58.100 -0.215 0.000 1.135 689 Y CB -0.238 38.112 38.460 -0.183 0.000 0.980 689 Y HN 0.300 nan 8.280 nan 0.000 0.499 690 K N -0.650 119.650 120.400 -0.167 0.000 2.113 690 K HA -0.239 4.118 4.320 0.062 0.000 0.208 690 K C 1.072 177.561 176.600 -0.185 0.000 1.047 690 K CA 2.099 58.257 56.287 -0.215 0.000 0.928 690 K CB -0.412 31.897 32.500 -0.318 0.000 0.716 690 K HN 0.600 nan 8.250 nan 0.000 0.446 691 H N 0.019 118.971 119.070 -0.197 0.000 2.524 691 H HA 0.191 4.785 4.556 0.062 0.000 0.280 691 H C -0.019 175.146 175.328 -0.272 0.000 1.018 691 H CA 0.206 56.132 56.048 -0.203 0.000 1.165 691 H CB 0.196 29.836 29.762 -0.203 0.000 1.411 691 H HN 0.111 nan 8.280 nan 0.000 0.569 692 L N -0.249 120.822 121.223 -0.253 0.000 4.351 692 L HA -0.259 4.119 4.340 0.062 0.000 0.410 692 L C -0.329 176.274 176.870 -0.445 0.000 1.150 692 L CA 0.537 55.133 54.840 -0.406 0.000 0.961 692 L CB -1.719 40.084 42.059 -0.426 0.000 2.130 692 L HN 0.280 nan 8.230 nan 0.000 0.787 693 K N 0.889 121.096 120.400 -0.323 0.000 2.144 693 K HA 0.470 4.827 4.320 0.062 0.000 0.270 693 K C -2.138 174.320 176.600 -0.237 0.000 1.005 693 K CA -1.766 54.351 56.287 -0.283 0.000 0.932 693 K CB 0.676 33.067 32.500 -0.182 0.000 1.021 693 K HN -0.221 nan 8.250 nan 0.000 0.462 694 P HA 0.023 nan 4.420 nan 0.000 0.266 694 P C -0.793 176.436 177.300 -0.118 0.000 1.195 694 P CA 0.447 63.442 63.100 -0.176 0.000 0.768 694 P CB 0.427 32.024 31.700 -0.172 0.000 0.838 695 I N 1.784 122.297 120.570 -0.095 0.000 2.533 695 I HA 0.597 4.804 4.170 0.062 0.000 0.290 695 I C -0.364 175.698 176.117 -0.093 0.000 1.056 695 I CA -0.836 60.427 61.300 -0.062 0.000 1.057 695 I CB 2.197 40.189 38.000 -0.013 0.000 1.240 695 I HN 0.258 nan 8.210 nan 0.000 0.423 696 A N 7.711 130.479 122.820 -0.087 0.000 2.330 696 A HA 0.892 5.249 4.320 0.062 0.000 0.313 696 A C -1.087 176.575 177.584 0.130 0.000 1.124 696 A CA -0.434 51.517 52.037 -0.144 0.000 0.774 696 A CB 0.952 19.715 19.000 -0.396 0.000 1.198 696 A HN 0.668 nan 8.150 nan 0.000 0.465 697 L N 2.216 123.579 121.223 0.234 0.000 2.376 697 L HA 0.721 5.098 4.340 0.062 0.000 0.275 697 L C 0.233 177.312 176.870 0.349 0.000 0.987 697 L CA -0.564 54.432 54.840 0.260 0.000 0.828 697 L CB 1.990 44.153 42.059 0.173 0.000 1.249 697 L HN 0.772 nan 8.230 nan 0.000 0.409 698 A N 2.304 125.242 122.820 0.197 0.000 2.317 698 A HA 0.867 5.224 4.320 0.062 0.000 0.327 698 A C 0.616 178.197 177.584 -0.004 0.000 1.178 698 A CA 0.285 52.308 52.037 -0.023 0.000 0.817 698 A CB 1.160 19.971 19.000 -0.315 0.000 1.189 698 A HN 0.996 nan 8.150 nan 0.000 0.489 699 G N 1.833 110.619 108.800 -0.024 0.000 2.596 699 G HA2 -0.311 3.686 3.960 0.062 0.000 0.295 699 G HA3 -0.311 3.686 3.960 0.062 0.000 0.295 699 G C 0.459 175.366 174.900 0.011 0.000 1.240 699 G CA 0.768 45.858 45.100 -0.016 0.000 0.985 699 G HN 0.707 nan 8.290 nan 0.000 0.555 700 D N 1.188 121.591 120.400 0.004 0.000 2.350 700 D HA 0.227 4.904 4.640 0.062 0.000 0.216 700 D C 2.565 178.874 176.300 0.015 0.000 0.968 700 D CA 1.510 55.508 54.000 -0.004 0.000 0.894 700 D CB -0.619 40.169 40.800 -0.020 0.000 0.909 700 D HN 0.820 nan 8.370 nan 0.000 0.520 701 A N 0.361 123.230 122.820 0.082 0.000 2.178 701 A HA -0.163 4.194 4.320 0.062 0.000 0.218 701 A C 2.042 179.750 177.584 0.207 0.000 1.157 701 A CA 0.709 52.873 52.037 0.211 0.000 0.689 701 A CB -0.368 18.773 19.000 0.235 0.000 0.787 701 A HN 0.138 nan 8.150 nan 0.000 0.465 702 R N -0.289 120.274 120.500 0.105 0.000 2.241 702 R HA -0.083 4.294 4.340 0.062 0.000 0.224 702 R C 1.519 177.839 176.300 0.032 0.000 1.101 702 R CA 0.936 57.084 56.100 0.081 0.000 0.995 702 R CB -0.088 30.245 30.300 0.055 0.000 0.870 702 R HN 0.318 nan 8.270 nan 0.000 0.463 703 K N 0.044 120.419 120.400 -0.041 0.000 2.211 703 K HA -0.149 4.208 4.320 0.062 0.000 0.204 703 K C 1.571 178.072 176.600 -0.165 0.000 1.047 703 K CA 1.300 57.502 56.287 -0.141 0.000 0.935 703 K CB -0.220 32.122 32.500 -0.262 0.000 0.728 703 K HN 0.267 nan 8.250 nan 0.000 0.452 704 F N 1.401 121.328 119.950 -0.039 0.000 2.604 704 F HA -0.070 4.495 4.527 0.062 0.000 0.298 704 F C 2.084 177.837 175.800 -0.079 0.000 1.131 704 F CA 0.645 58.610 58.000 -0.059 0.000 1.457 704 F CB -0.042 38.923 39.000 -0.059 0.000 1.095 704 F HN -0.020 nan 8.300 nan 0.000 0.574 705 K N 0.318 120.772 120.400 0.089 0.000 2.160 705 K HA -0.217 4.140 4.320 0.062 0.000 0.206 705 K C 2.259 178.835 176.600 -0.040 0.000 1.047 705 K CA 1.162 57.452 56.287 0.004 0.000 0.930 705 K CB -0.336 32.164 32.500 -0.000 0.000 0.720 705 K HN 0.276 nan 8.250 nan 0.000 0.450 706 A N 0.667 123.469 122.820 -0.029 0.000 2.015 706 A HA -0.112 4.245 4.320 0.062 0.000 0.219 706 A C 2.047 179.601 177.584 -0.050 0.000 1.163 706 A CA 1.722 53.731 52.037 -0.047 0.000 0.646 706 A CB -0.636 18.334 19.000 -0.050 0.000 0.806 706 A HN 0.279 nan 8.150 nan 0.000 0.448 707 T N 0.630 115.172 114.554 -0.019 0.000 2.915 707 T HA -0.055 4.332 4.350 0.062 0.000 0.269 707 T C 1.426 176.055 174.700 -0.119 0.000 1.071 707 T CA 1.492 63.576 62.100 -0.025 0.000 1.132 707 T CB -0.468 68.432 68.868 0.054 0.000 0.878 707 T HN 0.733 nan 8.240 nan 0.000 0.479 708 I N -1.861 118.583 120.570 -0.209 0.000 3.941 708 I HA 0.454 4.661 4.170 0.062 0.000 0.335 708 I C -0.095 175.754 176.117 -0.446 0.000 1.402 708 I CA -0.686 60.334 61.300 -0.466 0.000 1.112 708 I CB -0.269 37.273 38.000 -0.764 0.000 1.043 708 I HN -0.084 nan 8.210 nan 0.000 0.395 709 K N 1.717 121.983 120.400 -0.223 0.000 3.096 709 K HA -0.119 4.238 4.320 0.062 0.000 0.266 709 K C -0.455 176.075 176.600 -0.116 0.000 1.043 709 K CA 0.288 56.492 56.287 -0.139 0.000 0.758 709 K CB -1.326 31.110 32.500 -0.107 0.000 1.260 709 K HN 0.337 nan 8.250 nan 0.000 0.481 710 I N 0.908 121.409 120.570 -0.115 0.000 2.395 710 I HA 0.240 4.447 4.170 0.062 0.000 0.289 710 I C 1.381 177.481 176.117 -0.029 0.000 1.023 710 I CA -0.699 60.567 61.300 -0.056 0.000 1.350 710 I CB 0.427 38.401 38.000 -0.043 0.000 1.409 710 I HN 0.259 nan 8.210 nan 0.000 0.507 711 A N 4.886 127.700 122.820 -0.010 0.000 2.406 711 A HA 0.110 4.467 4.320 0.062 0.000 0.243 711 A C 1.103 178.685 177.584 -0.003 0.000 1.082 711 A CA -0.217 51.816 52.037 -0.006 0.000 0.786 711 A CB 0.072 19.073 19.000 0.001 0.000 1.029 711 A HN 0.757 nan 8.150 nan 0.000 0.495 712 D N 0.200 120.598 120.400 -0.003 0.000 2.158 712 D HA -0.157 4.521 4.640 0.062 0.000 0.197 712 D C 1.701 178.004 176.300 0.005 0.000 0.995 712 D CA 1.776 55.776 54.000 0.000 0.000 0.846 712 D CB -0.093 40.707 40.800 -0.001 0.000 0.941 712 D HN 0.597 nan 8.370 nan 0.000 0.456 713 Q N -0.209 119.593 119.800 0.005 0.000 2.297 713 Q HA 0.138 4.516 4.340 0.062 0.000 0.208 713 Q C 1.030 177.035 176.000 0.008 0.000 0.981 713 Q CA 0.991 56.798 55.803 0.007 0.000 0.876 713 Q CB -0.253 28.489 28.738 0.006 0.000 0.921 713 Q HN 0.358 nan 8.270 nan 0.000 0.446 714 G N -0.141 108.665 108.800 0.009 0.000 2.631 714 G HA2 -0.172 3.826 3.960 0.062 0.000 0.504 714 G HA3 -0.172 3.826 3.960 0.062 0.000 0.504 714 G C -1.090 173.817 174.900 0.011 0.000 1.306 714 G CA -0.250 44.856 45.100 0.010 0.000 0.897 714 G HN 0.203 nan 8.290 nan 0.000 0.520 715 E N -0.454 119.753 120.200 0.010 0.000 2.354 715 E HA 0.390 4.778 4.350 0.062 0.000 0.283 715 E C -0.396 176.200 176.600 -0.006 0.000 0.938 715 E CA -0.559 55.849 56.400 0.014 0.000 0.777 715 E CB 1.121 30.848 29.700 0.045 0.000 1.222 715 E HN 0.606 nan 8.360 nan 0.000 0.423 716 E N 1.606 121.794 120.200 -0.021 0.000 2.585 716 E HA 0.185 4.572 4.350 0.062 0.000 0.252 716 E C 0.645 177.201 176.600 -0.074 0.000 0.981 716 E CA 1.425 57.796 56.400 -0.048 0.000 0.943 716 E CB 0.461 30.131 29.700 -0.049 0.000 0.923 716 E HN 0.836 nan 8.360 nan 0.000 0.486 717 G N 3.312 112.056 108.800 -0.094 0.000 2.231 717 G HA2 -0.182 3.815 3.960 0.062 0.000 0.206 717 G HA3 -0.182 3.815 3.960 0.062 0.000 0.206 717 G C -0.015 174.830 174.900 -0.092 0.000 0.996 717 G CA -0.599 44.423 45.100 -0.129 0.000 0.645 717 G HN 0.424 nan 8.290 nan 0.000 0.498 718 I N 2.083 122.622 120.570 -0.051 0.000 2.382 718 I HA 0.518 4.726 4.170 0.062 0.000 0.285 718 I C 0.286 176.360 176.117 -0.072 0.000 1.007 718 I CA -1.373 59.906 61.300 -0.034 0.000 1.142 718 I CB 1.309 39.323 38.000 0.022 0.000 1.289 718 I HN -0.100 nan 8.210 nan 0.000 0.453 719 V N 7.412 127.240 119.914 -0.143 0.000 2.439 719 V HA 0.452 4.609 4.120 0.062 0.000 0.282 719 V C 0.127 176.150 176.094 -0.119 0.000 1.039 719 V CA -0.487 61.680 62.300 -0.222 0.000 0.913 719 V CB 1.464 32.993 31.823 -0.491 0.000 0.983 719 V HN 0.830 nan 8.190 nan 0.000 0.460 720 E N 4.030 124.252 120.200 0.035 0.000 2.343 720 E HA 0.887 5.274 4.350 0.062 0.000 0.278 720 E C -0.921 175.834 176.600 0.258 0.000 0.910 720 E CA -0.971 55.546 56.400 0.196 0.000 0.757 720 E CB 2.646 32.411 29.700 0.108 0.000 1.218 720 E HN 0.784 nan 8.360 nan 0.000 0.435 721 A N 1.676 124.669 122.820 0.288 0.000 2.564 721 A HA 0.378 4.735 4.320 0.062 0.000 0.291 721 A C -0.623 176.987 177.584 0.044 0.000 1.102 721 A CA -0.646 51.485 52.037 0.156 0.000 0.660 721 A CB 1.148 20.273 19.000 0.209 0.000 1.283 721 A HN 0.575 nan 8.150 nan 0.000 0.430 722 D N 0.451 120.853 120.400 0.003 0.000 2.178 722 D HA 0.055 4.732 4.640 0.062 0.000 0.202 722 D C 1.063 177.311 176.300 -0.085 0.000 0.974 722 D CA 2.202 56.185 54.000 -0.028 0.000 0.841 722 D CB 0.108 40.895 40.800 -0.022 0.000 0.953 722 D HN 0.737 nan 8.370 nan 0.000 0.478 723 S N -1.344 114.272 115.700 -0.140 0.000 2.618 723 S HA 0.709 5.216 4.470 0.062 0.000 0.277 723 S C -0.827 173.466 174.600 -0.512 0.000 1.138 723 S CA -0.935 57.116 58.200 -0.249 0.000 0.844 723 S CB 2.264 65.369 63.200 -0.159 0.000 1.127 723 S HN 0.018 nan 8.310 nan 0.000 0.474 724 A N 1.819 124.248 122.820 -0.652 0.000 2.350 724 A HA 0.624 4.981 4.320 0.062 0.000 0.293 724 A C -0.152 177.228 177.584 -0.339 0.000 1.231 724 A CA -0.181 51.290 52.037 -0.944 0.000 0.883 724 A CB -0.968 17.651 19.000 -0.635 0.000 1.133 724 A HN 0.927 nan 8.150 nan 0.000 0.533 725 D N 1.402 121.725 120.400 -0.129 0.000 2.904 725 D HA 0.508 5.185 4.640 0.062 0.000 0.290 725 D C 1.213 177.565 176.300 0.086 0.000 1.180 725 D CA 0.152 54.147 54.000 -0.007 0.000 1.065 725 D CB -0.126 40.668 40.800 -0.011 0.000 1.386 725 D HN 0.236 nan 8.370 nan 0.000 0.599 726 G N -0.386 108.451 108.800 0.060 0.000 2.433 726 G HA2 -0.264 3.733 3.960 0.062 0.000 0.216 726 G HA3 -0.264 3.733 3.960 0.062 0.000 0.216 726 G C 1.492 176.443 174.900 0.085 0.000 1.186 726 G CA 1.575 46.712 45.100 0.061 0.000 0.779 726 G HN 0.443 nan 8.290 nan 0.000 0.543 727 S N -0.239 115.514 115.700 0.089 0.000 2.356 727 S HA -0.135 4.373 4.470 0.062 0.000 0.223 727 S C 2.097 176.774 174.600 0.129 0.000 1.032 727 S CA 1.567 59.821 58.200 0.089 0.000 1.005 727 S CB -0.466 62.782 63.200 0.079 0.000 0.867 727 S HN 0.363 nan 8.310 nan 0.000 0.449 728 F N 1.919 121.867 119.950 -0.004 0.000 2.095 728 F HA -0.114 4.450 4.527 0.062 0.000 0.298 728 F C 2.157 177.953 175.800 -0.007 0.000 1.104 728 F CA 1.866 59.863 58.000 -0.005 0.000 1.232 728 F CB -0.293 38.706 39.000 -0.003 0.000 0.987 728 F HN 0.212 nan 8.300 nan 0.000 0.475 729 M N 0.002 119.772 119.600 0.282 0.000 2.254 729 M HA -0.149 4.368 4.480 0.062 0.000 0.265 729 M C 1.701 178.013 176.300 0.020 0.000 1.066 729 M CA 1.244 56.623 55.300 0.131 0.000 1.123 729 M CB -1.282 31.412 32.600 0.156 0.000 1.388 729 M HN 0.136 nan 8.290 nan 0.000 0.425 730 D N 0.425 120.840 120.400 0.026 0.000 2.144 730 D HA -0.113 4.564 4.640 0.062 0.000 0.200 730 D C 1.991 178.271 176.300 -0.034 0.000 0.978 730 D CA 1.017 55.017 54.000 -0.000 0.000 0.833 730 D CB -0.049 40.758 40.800 0.012 0.000 0.961 730 D HN 0.457 nan 8.370 nan 0.000 0.470 731 E N 0.405 120.571 120.200 -0.057 0.000 2.051 731 E HA -0.116 4.271 4.350 0.062 0.000 0.192 731 E C 2.176 178.694 176.600 -0.136 0.000 0.991 731 E CA 0.185 56.528 56.400 -0.094 0.000 0.799 731 E CB -0.063 29.566 29.700 -0.119 0.000 0.748 731 E HN 0.159 nan 8.360 nan 0.000 0.449 732 L N 1.087 122.191 121.223 -0.198 0.000 2.012 732 L HA -0.213 4.164 4.340 0.062 0.000 0.210 732 L C 2.268 179.069 176.870 -0.116 0.000 1.073 732 L CA 1.556 56.278 54.840 -0.197 0.000 0.748 732 L CB -0.399 41.513 42.059 -0.245 0.000 0.891 732 L HN 0.241 nan 8.230 nan 0.000 0.431 733 L N -0.768 120.409 121.223 -0.077 0.000 2.093 733 L HA -0.209 4.169 4.340 0.062 0.000 0.208 733 L C 2.482 179.326 176.870 -0.043 0.000 1.085 733 L CA 1.507 56.318 54.840 -0.048 0.000 0.755 733 L CB -0.708 41.335 42.059 -0.027 0.000 0.904 733 L HN 0.255 nan 8.230 nan 0.000 0.435 734 T N 0.255 114.781 114.554 -0.047 0.000 2.708 734 T HA -0.168 4.219 4.350 0.062 0.000 0.266 734 T C 1.958 176.626 174.700 -0.053 0.000 1.037 734 T CA 1.270 63.347 62.100 -0.038 0.000 1.146 734 T CB -0.278 68.568 68.868 -0.036 0.000 0.865 734 T HN 0.177 nan 8.240 nan 0.000 0.435 735 L N 0.370 121.541 121.223 -0.086 0.000 2.013 735 L HA -0.178 4.199 4.340 0.062 0.000 0.212 735 L C 2.742 179.544 176.870 -0.114 0.000 1.073 735 L CA 1.598 56.365 54.840 -0.120 0.000 0.753 735 L CB -0.613 41.354 42.059 -0.154 0.000 0.890 735 L HN 0.315 nan 8.230 nan 0.000 0.432 736 M N -0.850 118.699 119.600 -0.086 0.000 2.213 736 M HA -0.156 4.361 4.480 0.062 0.000 0.263 736 M C 2.407 178.705 176.300 -0.003 0.000 1.062 736 M CA 1.630 56.898 55.300 -0.053 0.000 1.105 736 M CB -0.496 32.083 32.600 -0.035 0.000 1.385 736 M HN 0.330 nan 8.290 nan 0.000 0.417 737 A N 0.198 123.018 122.820 0.001 0.000 2.121 737 A HA 0.085 4.442 4.320 0.062 0.000 0.218 737 A C 2.126 179.749 177.584 0.065 0.000 1.154 737 A CA 1.595 53.653 52.037 0.035 0.000 0.679 737 A CB -0.586 18.429 19.000 0.024 0.000 0.795 737 A HN 0.498 nan 8.150 nan 0.000 0.458 738 A N -2.610 120.227 122.820 0.027 0.000 2.275 738 A HA 0.366 4.723 4.320 0.062 0.000 0.212 738 A C 0.942 178.547 177.584 0.036 0.000 1.201 738 A CA 1.218 53.282 52.037 0.046 0.000 0.843 738 A CB -0.401 18.581 19.000 -0.030 0.000 0.873 738 A HN 0.975 nan 8.150 nan 0.000 0.492 739 H N -1.224 117.785 119.070 -0.102 0.000 4.884 739 H HA -0.187 4.406 4.556 0.062 0.000 0.061 739 H C 0.112 175.215 175.328 -0.375 0.000 0.590 739 H CA 2.377 58.350 56.048 -0.124 0.000 0.961 739 H CB -0.628 29.176 29.762 0.070 0.000 0.443 739 H HN 0.463 nan 8.280 nan 0.000 0.794 740 R N -0.397 119.493 120.500 -1.016 0.000 2.855 740 R HA 0.631 5.008 4.340 0.062 0.000 0.266 740 R C -0.655 174.781 176.300 -1.440 0.000 1.034 740 R CA -0.300 54.981 56.100 -1.365 0.000 0.944 740 R CB 1.704 30.882 30.300 -1.870 0.000 1.219 740 R HN 0.055 nan 8.270 nan 0.000 0.474 741 V N 2.146 121.436 119.914 -1.039 0.000 2.174 741 V HA 0.111 4.268 4.120 0.062 0.000 0.259 741 V C 0.650 176.376 176.094 -0.613 0.000 1.261 741 V CA -0.463 61.419 62.300 -0.698 0.000 1.137 741 V CB -0.364 31.182 31.823 -0.461 0.000 1.290 741 V HN 0.717 nan 8.190 nan 0.000 0.486 742 W N 1.473 122.491 121.300 -0.470 0.000 2.374 742 W HA -0.188 4.509 4.660 0.062 0.000 0.288 742 W C 2.523 178.828 176.519 -0.357 0.000 1.218 742 W CA 0.885 57.864 57.345 -0.611 0.000 1.245 742 W CB -0.496 28.200 29.460 -1.273 0.000 1.126 742 W HN 0.635 nan 8.180 nan 0.000 0.545 743 S N 0.798 116.445 115.700 -0.087 0.000 2.469 743 S HA -0.202 4.305 4.470 0.062 0.000 0.238 743 S C 1.705 176.265 174.600 -0.067 0.000 0.998 743 S CA 1.125 59.296 58.200 -0.048 0.000 0.957 743 S CB -0.499 62.673 63.200 -0.046 0.000 0.764 743 S HN 0.429 nan 8.310 nan 0.000 0.514 744 R N 0.812 121.227 120.500 -0.142 0.000 2.276 744 R HA 0.224 4.601 4.340 0.062 0.000 0.203 744 R C 1.802 178.035 176.300 -0.112 0.000 1.017 744 R CA 0.399 56.398 56.100 -0.169 0.000 1.010 744 R CB -0.405 29.678 30.300 -0.362 0.000 0.900 744 R HN 0.476 nan 8.270 nan 0.000 0.469 745 I N 1.876 122.417 120.570 -0.048 0.000 2.145 745 I HA -0.250 3.957 4.170 0.062 0.000 0.244 745 I C -0.778 175.363 176.117 0.040 0.000 1.075 745 I CA 1.410 62.726 61.300 0.026 0.000 1.332 745 I CB -0.960 37.107 38.000 0.112 0.000 1.033 745 I HN 0.177 nan 8.210 nan 0.000 0.410 746 P HA -0.146 nan 4.420 nan 0.000 0.220 746 P C 1.259 178.590 177.300 0.052 0.000 1.148 746 P CA 1.410 64.540 63.100 0.051 0.000 0.803 746 P CB -0.086 31.641 31.700 0.046 0.000 0.782 747 K N -0.332 120.095 120.400 0.045 0.000 2.366 747 K HA 0.024 4.381 4.320 0.062 0.000 0.198 747 K C 2.006 178.678 176.600 0.121 0.000 1.044 747 K CA 0.706 57.045 56.287 0.087 0.000 0.973 747 K CB -0.350 32.226 32.500 0.126 0.000 0.767 747 K HN 0.287 nan 8.250 nan 0.000 0.475 748 I N -2.060 118.551 120.570 0.069 0.000 2.716 748 I HA -0.066 4.142 4.170 0.062 0.000 0.259 748 I C 1.124 177.288 176.117 0.079 0.000 1.172 748 I CA 0.983 62.330 61.300 0.078 0.000 1.478 748 I CB -0.087 37.913 38.000 -0.001 0.000 1.104 748 I HN -0.147 nan 8.210 nan 0.000 0.439 749 D N 2.355 122.800 120.400 0.076 0.000 2.220 749 D HA -0.218 4.459 4.640 0.062 0.000 0.198 749 D C 1.897 178.238 176.300 0.068 0.000 1.001 749 D CA 1.566 55.611 54.000 0.075 0.000 0.875 749 D CB -0.024 40.820 40.800 0.072 0.000 0.921 749 D HN 0.520 nan 8.370 nan 0.000 0.454 750 K N -0.650 119.790 120.400 0.067 0.000 2.354 750 K HA 0.122 4.479 4.320 0.062 0.000 0.194 750 K C 0.171 176.802 176.600 0.051 0.000 1.038 750 K CA -0.257 56.063 56.287 0.055 0.000 1.052 750 K CB 0.533 33.062 32.500 0.049 0.000 0.861 750 K HN 0.159 nan 8.250 nan 0.000 0.535 751 I N 0.850 121.458 120.570 0.063 0.000 2.533 751 I HA 0.135 4.342 4.170 0.062 0.000 0.284 751 I C -2.386 173.758 176.117 0.046 0.000 1.109 751 I CA -2.781 58.549 61.300 0.049 0.000 1.412 751 I CB -0.319 37.721 38.000 0.067 0.000 1.396 751 I HN -0.109 nan 8.210 nan 0.000 0.543 752 P HA 0.529 nan 4.420 nan 0.000 0.247 752 P C -0.725 176.630 177.300 0.091 0.000 1.756 752 P CA 0.029 63.163 63.100 0.058 0.000 1.117 752 P CB 0.351 32.079 31.700 0.047 0.000 1.869 753 A N 0.000 122.875 122.820 0.092 0.000 2.254 753 A HA 0.000 4.357 4.320 0.062 0.000 0.244 753 A CA 0.000 52.138 52.037 0.168 0.000 0.836 753 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486