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 3p9r_1_D 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 TMEGFGGHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG 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 PXGNIADIAD 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 0.000 174.566 174.600 -0.056 0.000 1.055 28 S CA 0.000 58.175 58.200 -0.042 0.000 1.107 28 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 29 L N 0.975 122.154 121.223 -0.074 0.000 2.817 29 L HA 0.515 4.869 4.340 0.023 0.000 0.248 29 L C 1.206 177.997 176.870 -0.132 0.000 1.133 29 L CA -0.136 54.656 54.840 -0.081 0.000 0.935 29 L CB 0.061 42.084 42.059 -0.060 0.000 1.266 29 L HN 0.597 nan 8.230 nan 0.000 0.535 30 A N 2.002 124.688 122.820 -0.224 0.000 2.466 30 A HA 0.366 4.700 4.320 0.023 0.000 0.238 30 A C -1.976 175.451 177.584 -0.262 0.000 1.074 30 A CA -0.694 51.077 52.037 -0.443 0.000 0.774 30 A CB -0.629 17.858 19.000 -0.856 0.000 1.015 30 A HN 0.003 nan 8.150 nan 0.000 0.498 31 P HA 0.111 nan 4.420 nan 0.000 0.271 31 P C 0.124 177.405 177.300 -0.032 0.000 1.216 31 P CA -0.013 63.052 63.100 -0.058 0.000 0.776 31 P CB 0.747 32.454 31.700 0.011 0.000 0.881 32 E N 0.923 121.115 120.200 -0.015 0.000 2.204 32 E HA -0.193 4.171 4.350 0.023 0.000 0.195 32 E C 1.044 177.661 176.600 0.029 0.000 0.990 32 E CA 1.262 57.662 56.400 -0.000 0.000 0.821 32 E CB -0.023 29.675 29.700 -0.003 0.000 0.750 32 E HN 0.600 nan 8.360 nan 0.000 0.477 33 D N -0.910 119.513 120.400 0.039 0.000 2.371 33 D HA -0.032 4.622 4.640 0.023 0.000 0.221 33 D C 1.241 177.589 176.300 0.081 0.000 0.986 33 D CA 0.855 54.884 54.000 0.049 0.000 0.899 33 D CB -0.127 40.695 40.800 0.037 0.000 0.902 33 D HN 0.178 nan 8.370 nan 0.000 0.530 34 G N 0.121 109.012 108.800 0.153 0.000 2.143 34 G HA2 -0.342 3.631 3.960 0.023 0.000 0.248 34 G HA3 -0.342 3.631 3.960 0.023 0.000 0.248 34 G C 1.021 176.013 174.900 0.154 0.000 0.991 34 G CA 0.824 46.063 45.100 0.232 0.000 0.689 34 G HN 0.700 nan 8.290 nan 0.000 0.522 35 S N 0.389 116.189 115.700 0.167 0.000 2.607 35 S HA -0.022 4.462 4.470 0.023 0.000 0.224 35 S C 1.928 176.576 174.600 0.080 0.000 0.969 35 S CA 1.104 59.352 58.200 0.080 0.000 0.927 35 S CB -0.508 62.731 63.200 0.064 0.000 0.772 35 S HN 0.957 nan 8.310 nan 0.000 0.533 36 H N 1.181 120.257 119.070 0.011 0.000 2.524 36 H HA 0.214 4.783 4.556 0.023 0.000 0.282 36 H C 0.796 176.136 175.328 0.019 0.000 1.016 36 H CA 0.534 56.590 56.048 0.013 0.000 1.270 36 H CB -0.293 29.475 29.762 0.011 0.000 1.394 36 H HN 0.380 nan 8.280 nan 0.000 0.568 37 R N 2.642 122.837 120.500 -0.510 0.000 2.343 37 R HA 0.349 4.703 4.340 0.023 0.000 0.320 37 R C -2.691 173.513 176.300 -0.158 0.000 0.956 37 R CA -2.254 53.606 56.100 -0.400 0.000 0.836 37 R CB 0.924 30.859 30.300 -0.608 0.000 1.151 37 R HN 0.056 nan 8.270 nan 0.000 0.450 38 P HA 0.139 nan 4.420 nan 0.000 0.271 38 P C -0.833 176.456 177.300 -0.019 0.000 1.218 38 P CA -0.377 62.710 63.100 -0.022 0.000 0.780 38 P CB 0.945 32.657 31.700 0.020 0.000 0.901 39 A N 2.690 125.506 122.820 -0.006 0.000 2.546 39 A HA 0.348 4.682 4.320 0.023 0.000 0.243 39 A C 1.036 178.629 177.584 0.016 0.000 1.063 39 A CA 0.125 52.162 52.037 0.001 0.000 0.757 39 A CB -0.471 18.532 19.000 0.006 0.000 0.991 39 A HN 0.585 nan 8.150 nan 0.000 0.503 40 A N 3.310 126.139 122.820 0.015 0.000 3.077 40 A HA 0.485 4.819 4.320 0.023 0.000 0.255 40 A C 0.413 178.015 177.584 0.030 0.000 1.728 40 A CA 0.295 52.348 52.037 0.026 0.000 1.383 40 A CB -0.917 18.095 19.000 0.020 0.000 1.097 40 A HN 0.928 nan 8.150 nan 0.000 0.634 41 E N -0.659 119.561 120.200 0.034 0.000 2.401 41 E HA 0.496 4.860 4.350 0.023 0.000 0.280 41 E C -3.343 173.279 176.600 0.038 0.000 1.039 41 E CA -2.341 54.080 56.400 0.035 0.000 0.814 41 E CB 0.781 30.497 29.700 0.026 0.000 1.275 41 E HN 0.062 nan 8.360 nan 0.000 0.448 42 P HA 0.132 nan 4.420 nan 0.000 0.271 42 P C -0.757 176.552 177.300 0.014 0.000 1.216 42 P CA 0.172 63.287 63.100 0.026 0.000 0.771 42 P CB 0.712 32.415 31.700 0.005 0.000 0.864 43 T N 0.094 114.653 114.554 0.008 0.000 2.916 43 T HA 0.612 4.976 4.350 0.023 0.000 0.305 43 T C -3.045 171.632 174.700 -0.039 0.000 1.119 43 T CA -2.468 59.631 62.100 -0.001 0.000 1.008 43 T CB 1.690 70.563 68.868 0.008 0.000 1.129 43 T HN 0.072 nan 8.240 nan 0.000 0.480 44 P HA 0.380 nan 4.420 nan 0.000 0.274 44 P C -2.759 174.406 177.300 -0.224 0.000 1.246 44 P CA -1.668 61.291 63.100 -0.235 0.000 0.795 44 P CB -0.983 30.616 31.700 -0.167 0.000 1.006 45 P HA 0.004 nan 4.420 nan 0.000 0.260 45 P C 1.070 178.323 177.300 -0.079 0.000 1.172 45 P CA 1.740 64.743 63.100 -0.161 0.000 0.760 45 P CB -0.435 31.160 31.700 -0.175 0.000 0.773 46 G N 2.976 111.760 108.800 -0.027 0.000 2.199 46 G HA2 -0.332 3.642 3.960 0.023 0.000 0.254 46 G HA3 -0.332 3.642 3.960 0.023 0.000 0.254 46 G C 1.111 176.009 174.900 -0.003 0.000 0.982 46 G CA 0.366 45.463 45.100 -0.005 0.000 0.632 46 G HN 0.676 nan 8.290 nan 0.000 0.529 47 A N -1.055 121.759 122.820 -0.011 0.000 2.016 47 A HA 0.439 4.772 4.320 0.023 0.000 0.217 47 A C 1.300 178.888 177.584 0.006 0.000 1.162 47 A CA 1.908 53.943 52.037 -0.002 0.000 0.662 47 A CB 0.022 19.019 19.000 -0.006 0.000 0.812 47 A HN 0.523 nan 8.150 nan 0.000 0.450 48 Q N -0.824 118.983 119.800 0.012 0.000 2.456 48 Q HA 0.428 4.782 4.340 0.023 0.000 0.284 48 Q C -2.994 173.022 176.000 0.027 0.000 1.061 48 Q CA -2.073 53.741 55.803 0.018 0.000 0.799 48 Q CB 1.087 29.839 28.738 0.023 0.000 1.445 48 Q HN 0.071 nan 8.270 nan 0.000 0.411 49 P HA 0.037 nan 4.420 nan 0.000 0.268 49 P C -0.196 177.137 177.300 0.055 0.000 1.205 49 P CA 0.023 63.139 63.100 0.026 0.000 0.771 49 P CB 0.224 31.936 31.700 0.019 0.000 0.858 50 T N -0.597 113.990 114.554 0.056 0.000 2.860 50 T HA 0.577 4.941 4.350 0.023 0.000 0.299 50 T C 0.029 174.817 174.700 0.146 0.000 1.045 50 T CA -0.465 61.717 62.100 0.137 0.000 1.071 50 T CB 0.574 69.469 68.868 0.045 0.000 0.985 50 T HN 0.597 nan 8.240 nan 0.000 0.537 51 A N 1.811 124.814 122.820 0.305 0.000 2.594 51 A HA 0.772 5.106 4.320 0.023 0.000 0.291 51 A C -3.055 174.795 177.584 0.444 0.000 1.105 51 A CA -2.115 50.078 52.037 0.260 0.000 0.694 51 A CB 0.585 19.690 19.000 0.175 0.000 1.291 51 A HN 0.659 nan 8.150 nan 0.000 0.410 52 P HA 0.069 nan 4.420 nan 0.000 0.263 52 P C 1.277 178.732 177.300 0.258 0.000 1.175 52 P CA 1.133 64.451 63.100 0.363 0.000 0.761 52 P CB 0.578 32.410 31.700 0.221 0.000 0.794 53 G N 2.508 111.424 108.800 0.193 0.000 2.505 53 G HA2 -0.318 3.656 3.960 0.023 0.000 0.220 53 G HA3 -0.318 3.656 3.960 0.023 0.000 0.220 53 G C 1.549 176.471 174.900 0.036 0.000 1.145 53 G CA 1.185 46.309 45.100 0.041 0.000 0.761 53 G HN 0.592 nan 8.290 nan 0.000 0.571 54 S N -0.041 115.686 115.700 0.046 0.000 2.461 54 S HA 0.158 4.642 4.470 0.023 0.000 0.228 54 S C 2.239 176.861 174.600 0.037 0.000 1.005 54 S CA 0.731 58.942 58.200 0.019 0.000 0.942 54 S CB -0.160 63.045 63.200 0.008 0.000 0.776 54 S HN 0.325 nan 8.310 nan 0.000 0.514 55 L N 0.030 121.291 121.223 0.064 0.000 2.202 55 L HA 0.224 4.578 4.340 0.023 0.000 0.205 55 L C 2.727 179.633 176.870 0.059 0.000 1.083 55 L CA 0.917 55.793 54.840 0.061 0.000 0.790 55 L CB -0.391 41.713 42.059 0.074 0.000 0.942 55 L HN 0.244 nan 8.230 nan 0.000 0.452 56 K N 1.428 121.875 120.400 0.078 0.000 2.062 56 K HA 0.011 4.345 4.320 0.023 0.000 0.205 56 K C 0.836 177.468 176.600 0.053 0.000 1.051 56 K CA 1.422 57.754 56.287 0.075 0.000 0.941 56 K CB 0.032 32.594 32.500 0.103 0.000 0.719 56 K HN 0.158 nan 8.250 nan 0.000 0.440 57 A N 0.751 123.595 122.820 0.040 0.000 3.297 57 A HA 0.347 4.681 4.320 0.023 0.000 0.304 57 A C -2.121 175.470 177.584 0.011 0.000 0.963 57 A CA -1.011 51.046 52.037 0.032 0.000 0.935 57 A CB 0.473 19.497 19.000 0.039 0.000 1.093 57 A HN 0.170 nan 8.150 nan 0.000 0.480 58 P HA -0.152 nan 4.420 nan 0.000 0.219 58 P C 0.166 177.459 177.300 -0.010 0.000 1.146 58 P CA 1.283 64.383 63.100 -0.000 0.000 0.808 58 P CB 0.318 32.022 31.700 0.007 0.000 0.779 59 D N -1.126 119.273 120.400 -0.003 0.000 2.349 59 D HA 0.014 4.668 4.640 0.023 0.000 0.215 59 D C 0.284 176.572 176.300 -0.020 0.000 1.016 59 D CA 0.592 54.587 54.000 -0.009 0.000 0.870 59 D CB -0.409 40.394 40.800 0.004 0.000 0.917 59 D HN 0.119 nan 8.370 nan 0.000 0.524 60 T N 2.941 117.480 114.554 -0.024 0.000 2.737 60 T HA 0.308 4.671 4.350 0.023 0.000 0.296 60 T C 0.454 175.110 174.700 -0.074 0.000 0.922 60 T CA -0.410 61.661 62.100 -0.049 0.000 1.079 60 T CB 0.944 69.781 68.868 -0.052 0.000 0.892 60 T HN -0.108 nan 8.240 nan 0.000 0.514 61 R N 3.065 123.514 120.500 -0.085 0.000 2.867 61 R HA 0.673 5.027 4.340 0.023 0.000 0.268 61 R C -0.511 175.730 176.300 -0.099 0.000 1.014 61 R CA -1.044 55.001 56.100 -0.092 0.000 0.946 61 R CB 1.655 31.908 30.300 -0.078 0.000 1.208 61 R HN 0.792 nan 8.270 nan 0.000 0.477 62 N N -2.120 116.525 118.700 -0.092 0.000 3.020 62 N HA 0.033 4.787 4.740 0.023 0.000 0.248 62 N C 0.163 175.630 175.510 -0.072 0.000 1.480 62 N CA -0.804 52.205 53.050 -0.069 0.000 0.874 62 N CB 0.842 39.321 38.487 -0.014 0.000 1.433 62 N HN 0.595 nan 8.380 nan 0.000 0.530 63 E N -0.239 119.933 120.200 -0.047 0.000 2.110 63 E HA -0.230 4.134 4.350 0.023 0.000 0.193 63 E C 1.004 177.536 176.600 -0.112 0.000 0.988 63 E CA 1.290 57.657 56.400 -0.056 0.000 0.804 63 E CB 0.078 29.769 29.700 -0.015 0.000 0.745 63 E HN 0.486 nan 8.360 nan 0.000 0.458 64 K N 0.861 121.163 120.400 -0.163 0.000 2.026 64 K HA -0.096 4.238 4.320 0.023 0.000 0.208 64 K C 2.132 178.576 176.600 -0.260 0.000 1.048 64 K CA 1.177 57.271 56.287 -0.323 0.000 0.929 64 K CB -0.470 31.681 32.500 -0.582 0.000 0.713 64 K HN 0.175 nan 8.250 nan 0.000 0.439 65 L N 0.801 121.889 121.223 -0.225 0.000 2.046 65 L HA -0.212 4.142 4.340 0.023 0.000 0.208 65 L C 1.882 178.642 176.870 -0.184 0.000 1.077 65 L CA 1.299 55.979 54.840 -0.267 0.000 0.747 65 L CB -0.592 41.303 42.059 -0.273 0.000 0.896 65 L HN 0.263 nan 8.230 nan 0.000 0.432 66 N N -0.321 118.296 118.700 -0.138 0.000 2.166 66 N HA -0.168 4.586 4.740 0.023 0.000 0.186 66 N C 2.048 177.500 175.510 -0.097 0.000 1.019 66 N CA 1.669 54.658 53.050 -0.101 0.000 0.856 66 N CB -0.436 38.004 38.487 -0.077 0.000 0.993 66 N HN 0.361 nan 8.380 nan 0.000 0.426 67 S N 0.355 115.985 115.700 -0.116 0.000 2.474 67 S HA 0.038 4.522 4.470 0.023 0.000 0.235 67 S C 1.746 176.283 174.600 -0.106 0.000 0.997 67 S CA 0.326 58.463 58.200 -0.105 0.000 0.949 67 S CB -0.383 62.745 63.200 -0.119 0.000 0.766 67 S HN 0.252 nan 8.310 nan 0.000 0.517 68 L N 0.686 121.833 121.223 -0.126 0.000 2.554 68 L HA 0.209 4.563 4.340 0.023 0.000 0.226 68 L C 2.603 179.427 176.870 -0.077 0.000 1.137 68 L CA 0.479 55.253 54.840 -0.109 0.000 0.863 68 L CB -0.365 41.611 42.059 -0.138 0.000 0.985 68 L HN 0.272 nan 8.230 nan 0.000 0.451 69 E N 1.135 121.293 120.200 -0.070 0.000 2.160 69 E HA -0.257 4.106 4.350 0.023 0.000 0.195 69 E C 1.709 178.289 176.600 -0.034 0.000 0.991 69 E CA 1.523 57.895 56.400 -0.047 0.000 0.810 69 E CB -0.083 29.592 29.700 -0.042 0.000 0.742 69 E HN 0.568 nan 8.360 nan 0.000 0.466 70 D N -0.513 119.866 120.400 -0.036 0.000 2.263 70 D HA -0.140 4.514 4.640 0.023 0.000 0.208 70 D C 1.623 177.909 176.300 -0.023 0.000 0.971 70 D CA 1.566 55.550 54.000 -0.027 0.000 0.867 70 D CB -0.254 40.529 40.800 -0.028 0.000 0.929 70 D HN 0.310 nan 8.370 nan 0.000 0.492 71 V N -3.381 116.517 119.914 -0.025 0.000 3.645 71 V HA 0.316 4.449 4.120 0.023 0.000 0.275 71 V C 0.923 177.012 176.094 -0.008 0.000 1.356 71 V CA -0.650 61.641 62.300 -0.015 0.000 1.051 71 V CB -0.454 31.361 31.823 -0.013 0.000 0.828 71 V HN -0.164 nan 8.190 nan 0.000 0.441 72 R N 2.101 122.595 120.500 -0.011 0.000 2.537 72 R HA 0.369 4.723 4.340 0.023 0.000 0.280 72 R C -0.146 176.157 176.300 0.005 0.000 1.058 72 R CA 0.201 56.302 56.100 0.003 0.000 1.057 72 R CB 0.559 30.860 30.300 0.001 0.000 0.973 72 R HN 0.381 nan 8.270 nan 0.000 0.438 73 K N 1.390 121.798 120.400 0.012 0.000 2.413 73 K HA 0.308 4.642 4.320 0.023 0.000 0.257 73 K C -0.066 176.553 176.600 0.031 0.000 0.946 73 K CA -0.433 55.850 56.287 -0.006 0.000 0.823 73 K CB 1.740 34.226 32.500 -0.024 0.000 1.109 73 K HN 0.732 nan 8.250 nan 0.000 0.427 74 G N 0.574 109.413 108.800 0.064 0.000 2.494 74 G HA2 0.228 4.202 3.960 0.023 0.000 0.270 74 G HA3 0.228 4.202 3.960 0.023 0.000 0.270 74 G C 0.372 175.388 174.900 0.193 0.000 1.423 74 G CA 0.218 45.411 45.100 0.156 0.000 1.055 74 G HN 0.714 nan 8.290 nan 0.000 0.536 75 S N -2.688 113.197 115.700 0.308 0.000 2.302 75 S HA 0.121 4.605 4.470 0.023 0.000 0.258 75 S C 0.208 174.965 174.600 0.261 0.000 0.957 75 S CA -0.164 58.210 58.200 0.291 0.000 1.330 75 S CB 0.065 63.351 63.200 0.145 0.000 0.982 75 S HN 0.529 nan 8.310 nan 0.000 0.459 76 E N 2.992 123.267 120.200 0.124 0.000 2.373 76 E HA 0.376 4.740 4.350 0.023 0.000 0.267 76 E C -0.209 176.285 176.600 -0.178 0.000 1.032 76 E CA -0.065 56.337 56.400 0.002 0.000 0.889 76 E CB 0.132 29.828 29.700 -0.006 0.000 0.984 76 E HN 0.360 nan 8.360 nan 0.000 0.425 77 N N 0.164 118.778 118.700 -0.143 0.000 2.863 77 N HA -0.214 4.540 4.740 0.023 0.000 0.245 77 N C -1.002 174.361 175.510 -0.245 0.000 1.001 77 N CA 1.250 54.170 53.050 -0.217 0.000 0.901 77 N CB -1.370 36.945 38.487 -0.287 0.000 1.124 77 N HN 0.392 nan 8.380 nan 0.000 0.582 78 Y N 0.661 120.968 120.300 0.011 0.000 2.419 78 Y HA 0.643 5.208 4.550 0.024 0.000 0.328 78 Y C 0.949 176.853 175.900 0.006 0.000 1.162 78 Y CA -0.657 57.448 58.100 0.009 0.000 1.174 78 Y CB 1.011 39.477 38.460 0.010 0.000 1.228 78 Y HN 0.126 nan 8.280 nan 0.000 0.473 79 A N 2.579 125.518 122.820 0.199 0.000 2.371 79 A HA 0.406 4.740 4.320 0.023 0.000 0.257 79 A C -0.684 176.948 177.584 0.080 0.000 1.089 79 A CA -0.519 51.579 52.037 0.101 0.000 0.794 79 A CB 0.071 19.117 19.000 0.077 0.000 1.029 79 A HN 0.721 nan 8.150 nan 0.000 0.488 80 L N 2.835 124.087 121.223 0.048 0.000 2.410 80 L HA 0.504 4.858 4.340 0.023 0.000 0.273 80 L C 0.689 177.569 176.870 0.016 0.000 1.152 80 L CA 1.216 56.072 54.840 0.026 0.000 0.855 80 L CB 0.497 42.562 42.059 0.010 0.000 1.129 80 L HN 0.926 nan 8.230 nan 0.000 0.463 81 T N 0.375 114.932 114.554 0.006 0.000 2.865 81 T HA 0.669 5.032 4.350 0.023 0.000 0.294 81 T C 0.171 174.874 174.700 0.004 0.000 1.119 81 T CA -0.171 61.935 62.100 0.009 0.000 1.007 81 T CB 1.079 69.953 68.868 0.011 0.000 1.225 81 T HN 0.806 nan 8.240 nan 0.000 0.515 82 T N 0.291 114.861 114.554 0.027 0.000 2.698 82 T HA 0.245 4.609 4.350 0.023 0.000 0.295 82 T C 1.100 175.816 174.700 0.028 0.000 1.007 82 T CA -0.517 61.606 62.100 0.038 0.000 0.980 82 T CB -0.049 68.882 68.868 0.106 0.000 1.036 82 T HN 0.570 nan 8.240 nan 0.000 0.526 83 N N 0.429 119.148 118.700 0.033 0.000 2.453 83 N HA -0.069 4.685 4.740 0.023 0.000 0.183 83 N C 1.539 177.069 175.510 0.033 0.000 1.041 83 N CA 0.614 53.677 53.050 0.022 0.000 0.900 83 N CB -0.185 38.323 38.487 0.036 0.000 0.961 83 N HN 0.544 nan 8.380 nan 0.000 0.443 84 Q N -0.417 119.414 119.800 0.053 0.000 2.320 84 Q HA 0.186 4.540 4.340 0.023 0.000 0.201 84 Q C 0.806 176.827 176.000 0.036 0.000 0.910 84 Q CA 0.113 55.943 55.803 0.044 0.000 0.946 84 Q CB 0.273 29.044 28.738 0.056 0.000 1.062 84 Q HN 0.404 nan 8.270 nan 0.000 0.503 85 G N 0.361 109.180 108.800 0.032 0.000 2.143 85 G HA2 -0.244 3.730 3.960 0.023 0.000 0.249 85 G HA3 -0.244 3.730 3.960 0.023 0.000 0.249 85 G C 0.112 175.036 174.900 0.040 0.000 0.981 85 G CA 0.203 45.317 45.100 0.023 0.000 0.665 85 G HN 0.234 nan 8.290 nan 0.000 0.528 86 V N 1.527 121.482 119.914 0.068 0.000 2.461 86 V HA 0.359 4.493 4.120 0.023 0.000 0.275 86 V C 1.311 177.444 176.094 0.064 0.000 1.047 86 V CA -0.630 61.721 62.300 0.086 0.000 0.955 86 V CB 1.163 33.086 31.823 0.166 0.000 0.988 86 V HN 0.403 nan 8.190 nan 0.000 0.471 87 R N 4.351 124.881 120.500 0.050 0.000 2.522 87 R HA 0.285 4.639 4.340 0.023 0.000 0.284 87 R C -0.487 175.827 176.300 0.023 0.000 1.032 87 R CA 0.048 56.169 56.100 0.035 0.000 1.049 87 R CB 0.350 30.671 30.300 0.034 0.000 0.956 87 R HN 0.575 nan 8.270 nan 0.000 0.422 88 I N 2.242 122.814 120.570 0.004 0.000 2.365 88 I HA 0.099 4.283 4.170 0.023 0.000 0.291 88 I C 1.066 177.173 176.117 -0.017 0.000 1.004 88 I CA 0.070 61.356 61.300 -0.023 0.000 1.311 88 I CB 1.838 39.813 38.000 -0.041 0.000 1.401 88 I HN 0.762 nan 8.210 nan 0.000 0.491 89 A N 4.028 126.834 122.820 -0.023 0.000 1.911 89 A HA 0.000 4.334 4.320 0.023 0.000 0.212 89 A C 0.706 178.274 177.584 -0.025 0.000 1.189 89 A CA 0.964 52.991 52.037 -0.017 0.000 0.639 89 A CB 0.042 19.034 19.000 -0.012 0.000 0.839 89 A HN 0.694 nan 8.150 nan 0.000 0.449 90 D N -0.597 119.779 120.400 -0.039 0.000 2.389 90 D HA 0.292 4.946 4.640 0.023 0.000 0.256 90 D C -1.280 174.988 176.300 -0.053 0.000 1.239 90 D CA -0.378 53.598 54.000 -0.041 0.000 0.925 90 D CB 1.005 41.781 40.800 -0.039 0.000 1.145 90 D HN 0.045 nan 8.370 nan 0.000 0.542 91 D N 1.851 122.222 120.400 -0.047 0.000 2.370 91 D HA 0.039 4.693 4.640 0.023 0.000 0.230 91 D C 0.689 176.957 176.300 -0.053 0.000 1.143 91 D CA 0.336 54.304 54.000 -0.054 0.000 0.834 91 D CB 0.496 41.270 40.800 -0.044 0.000 0.944 91 D HN 0.225 nan 8.370 nan 0.000 0.504 92 Q N -0.628 119.142 119.800 -0.049 0.000 2.280 92 Q HA 0.267 4.621 4.340 0.023 0.000 0.228 92 Q C -0.172 175.798 176.000 -0.050 0.000 0.857 92 Q CA 0.188 55.963 55.803 -0.047 0.000 0.939 92 Q CB 0.779 29.494 28.738 -0.038 0.000 1.114 92 Q HN 0.180 nan 8.270 nan 0.000 0.514 93 N N -0.124 118.544 118.700 -0.053 0.000 2.277 93 N HA 0.312 5.066 4.740 0.023 0.000 0.286 93 N C -0.998 174.477 175.510 -0.058 0.000 1.140 93 N CA -0.230 52.791 53.050 -0.050 0.000 0.799 93 N CB 2.132 40.595 38.487 -0.041 0.000 1.596 93 N HN -0.184 nan 8.380 nan 0.000 0.473 94 S N 0.692 116.361 115.700 -0.052 0.000 2.632 94 S HA 0.330 4.814 4.470 0.023 0.000 0.267 94 S C 0.132 174.705 174.600 -0.045 0.000 1.276 94 S CA -0.573 57.595 58.200 -0.053 0.000 0.998 94 S CB 0.818 63.993 63.200 -0.041 0.000 0.953 94 S HN 0.407 nan 8.310 nan 0.000 0.547 95 L N 2.750 123.947 121.223 -0.044 0.000 2.349 95 L HA 0.492 4.846 4.340 0.023 0.000 0.275 95 L C 0.012 176.872 176.870 -0.016 0.000 1.115 95 L CA 0.350 55.172 54.840 -0.029 0.000 0.820 95 L CB 0.093 42.137 42.059 -0.026 0.000 1.135 95 L HN 0.774 nan 8.230 nan 0.000 0.445 96 R N 3.933 124.426 120.500 -0.011 0.000 2.764 96 R HA 0.836 5.190 4.340 0.023 0.000 0.270 96 R C -1.312 174.986 176.300 -0.002 0.000 1.014 96 R CA -0.846 55.250 56.100 -0.006 0.000 0.904 96 R CB 1.088 31.382 30.300 -0.009 0.000 1.236 96 R HN 0.606 nan 8.270 nan 0.000 0.466 97 A N 1.276 124.097 122.820 0.001 0.000 2.527 97 A HA 0.602 4.936 4.320 0.023 0.000 0.313 97 A C 0.608 178.191 177.584 -0.000 0.000 1.410 97 A CA 0.331 52.369 52.037 0.002 0.000 1.060 97 A CB -0.826 18.176 19.000 0.004 0.000 1.137 97 A HN 1.265 nan 8.150 nan 0.000 0.542 98 G N 1.282 110.081 108.800 -0.001 0.000 2.692 98 G HA2 0.045 4.019 3.960 0.023 0.000 0.686 98 G HA3 0.045 4.019 3.960 0.023 0.000 0.686 98 G C 0.614 175.511 174.900 -0.005 0.000 1.243 98 G CA 0.073 45.171 45.100 -0.003 0.000 0.782 98 G HN 1.838 nan 8.290 nan 0.000 0.625 99 S N -0.153 115.543 115.700 -0.007 0.000 2.555 99 S HA 0.032 4.516 4.470 0.023 0.000 0.230 99 S C 1.465 176.059 174.600 -0.010 0.000 0.978 99 S CA 1.300 59.494 58.200 -0.009 0.000 0.934 99 S CB 0.101 63.295 63.200 -0.010 0.000 0.766 99 S HN 0.734 nan 8.310 nan 0.000 0.533 100 R N 0.713 121.208 120.500 -0.008 0.000 2.629 100 R HA 0.335 4.689 4.340 0.023 0.000 0.386 100 R C 0.830 177.127 176.300 -0.006 0.000 1.071 100 R CA 0.018 56.114 56.100 -0.008 0.000 1.104 100 R CB 0.878 31.174 30.300 -0.007 0.000 1.370 100 R HN 0.439 nan 8.270 nan 0.000 0.574 101 G N 1.539 110.336 108.800 -0.006 0.000 2.568 101 G HA2 0.413 4.387 3.960 0.023 0.000 0.293 101 G HA3 0.413 4.387 3.960 0.023 0.000 0.293 101 G C -2.433 172.464 174.900 -0.004 0.000 1.347 101 G CA -1.025 44.072 45.100 -0.004 0.000 1.039 101 G HN -0.103 nan 8.290 nan 0.000 0.523 102 P HA 0.254 nan 4.420 nan 0.000 0.277 102 P C -0.300 176.999 177.300 -0.001 0.000 1.240 102 P CA -0.119 62.981 63.100 -0.001 0.000 0.798 102 P CB 1.021 32.722 31.700 0.002 0.000 0.979 103 T N 2.403 116.955 114.554 -0.002 0.000 2.901 103 T HA 0.245 4.609 4.350 0.023 0.000 0.301 103 T C 0.491 175.194 174.700 0.005 0.000 1.012 103 T CA -0.052 62.046 62.100 -0.003 0.000 1.135 103 T CB -0.055 68.809 68.868 -0.007 0.000 0.936 103 T HN 0.179 nan 8.240 nan 0.000 0.539 104 L N 3.636 124.863 121.223 0.007 0.000 2.334 104 L HA 0.319 4.673 4.340 0.023 0.000 0.277 104 L C 1.352 178.238 176.870 0.027 0.000 1.075 104 L CA -0.788 54.063 54.840 0.018 0.000 0.804 104 L CB 0.888 42.960 42.059 0.021 0.000 1.174 104 L HN 0.502 nan 8.230 nan 0.000 0.438 105 L N 2.352 123.595 121.223 0.034 0.000 2.201 105 L HA -0.172 4.182 4.340 0.023 0.000 0.212 105 L C 2.307 179.217 176.870 0.066 0.000 1.105 105 L CA 1.600 56.467 54.840 0.044 0.000 0.775 105 L CB -0.585 41.497 42.059 0.039 0.000 0.913 105 L HN 0.799 nan 8.230 nan 0.000 0.440 106 E N -1.428 118.815 120.200 0.071 0.000 2.516 106 E HA -0.187 4.177 4.350 0.023 0.000 0.199 106 E C 0.208 176.909 176.600 0.168 0.000 1.069 106 E CA 0.244 56.713 56.400 0.115 0.000 0.876 106 E CB -0.539 29.222 29.700 0.101 0.000 0.843 106 E HN 0.367 nan 8.360 nan 0.000 0.530 107 D N 1.236 121.688 120.400 0.088 0.000 2.498 107 D HA -0.057 4.597 4.640 0.023 0.000 0.229 107 D C 0.409 176.719 176.300 0.017 0.000 1.188 107 D CA -0.433 53.574 54.000 0.011 0.000 1.028 107 D CB -0.256 40.520 40.800 -0.040 0.000 1.087 107 D HN 0.335 nan 8.370 nan 0.000 0.510 108 F N 1.601 121.559 119.950 0.014 0.000 2.558 108 F HA 0.110 4.647 4.527 0.017 0.000 0.298 108 F C 1.546 177.358 175.800 0.021 0.000 1.119 108 F CA 0.035 58.047 58.000 0.019 0.000 1.451 108 F CB -0.543 38.468 39.000 0.018 0.000 1.091 108 F HN 0.160 nan 8.300 nan 0.000 0.563 109 I N 0.263 120.444 120.570 -0.649 0.000 2.277 109 I HA -0.168 4.016 4.170 0.023 0.000 0.243 109 I C 2.457 178.471 176.117 -0.171 0.000 1.094 109 I CA 0.821 61.860 61.300 -0.435 0.000 1.393 109 I CB -0.521 37.165 38.000 -0.523 0.000 1.078 109 I HN 0.253 nan 8.210 nan 0.000 0.417 110 L N 1.212 122.345 121.223 -0.151 0.000 1.971 110 L HA -0.238 4.116 4.340 0.023 0.000 0.215 110 L C 2.653 179.514 176.870 -0.016 0.000 1.072 110 L CA 1.964 56.760 54.840 -0.073 0.000 0.758 110 L CB -0.573 41.449 42.059 -0.061 0.000 0.889 110 L HN 0.068 nan 8.230 nan 0.000 0.433 111 R N -0.686 119.823 120.500 0.014 0.000 2.096 111 R HA -0.183 4.171 4.340 0.023 0.000 0.235 111 R C 2.303 178.659 176.300 0.093 0.000 1.127 111 R CA 1.489 57.626 56.100 0.063 0.000 0.968 111 R CB -0.408 29.943 30.300 0.086 0.000 0.861 111 R HN 0.610 nan 8.270 nan 0.000 0.440 112 E N 1.300 121.560 120.200 0.099 0.000 2.031 112 E HA -0.260 4.104 4.350 0.023 0.000 0.193 112 E C 1.962 178.639 176.600 0.129 0.000 0.994 112 E CA 1.405 57.880 56.400 0.126 0.000 0.800 112 E CB 0.060 29.840 29.700 0.132 0.000 0.752 112 E HN 0.160 nan 8.360 nan 0.000 0.447 113 K N 0.246 120.692 120.400 0.075 0.000 2.032 113 K HA -0.155 4.179 4.320 0.023 0.000 0.209 113 K C 2.135 178.805 176.600 0.116 0.000 1.048 113 K CA 1.515 57.845 56.287 0.070 0.000 0.927 113 K CB -0.078 32.421 32.500 -0.001 0.000 0.712 113 K HN 0.160 nan 8.250 nan 0.000 0.441 114 I N 1.341 121.961 120.570 0.084 0.000 2.394 114 I HA -0.173 4.011 4.170 0.023 0.000 0.251 114 I C 2.129 178.353 176.117 0.178 0.000 1.136 114 I CA 1.295 62.664 61.300 0.116 0.000 1.425 114 I CB -1.447 36.588 38.000 0.057 0.000 1.079 114 I HN 0.240 nan 8.210 nan 0.000 0.425 115 T N -0.356 114.296 114.554 0.163 0.000 2.746 115 T HA -0.200 4.164 4.350 0.023 0.000 0.267 115 T C 1.964 176.795 174.700 0.219 0.000 1.039 115 T CA 1.296 63.512 62.100 0.193 0.000 1.142 115 T CB -0.379 68.614 68.868 0.208 0.000 0.866 115 T HN 0.344 nan 8.240 nan 0.000 0.444 116 H N -0.123 119.041 119.070 0.156 0.000 2.353 116 H HA -0.062 4.508 4.556 0.023 0.000 0.300 116 H C 2.189 177.577 175.328 0.100 0.000 1.090 116 H CA 1.506 57.632 56.048 0.130 0.000 1.327 116 H CB -0.387 29.432 29.762 0.094 0.000 1.383 116 H HN 0.390 nan 8.280 nan 0.000 0.508 117 F N 2.100 122.101 119.950 0.085 0.000 2.102 117 F HA -0.188 4.350 4.527 0.019 0.000 0.298 117 F C 1.998 177.732 175.800 -0.110 0.000 1.105 117 F CA 1.687 59.687 58.000 -0.001 0.000 1.239 117 F CB -0.397 38.599 39.000 -0.006 0.000 0.991 117 F HN 0.046 nan 8.300 nan 0.000 0.474 118 D N -1.013 119.309 120.400 -0.131 0.000 2.311 118 D HA -0.167 4.486 4.640 0.023 0.000 0.212 118 D C 1.214 177.068 176.300 -0.744 0.000 0.972 118 D CA 1.272 55.004 54.000 -0.447 0.000 0.887 118 D CB -0.376 40.155 40.800 -0.448 0.000 0.915 118 D HN 0.505 nan 8.370 nan 0.000 0.497 119 H N -0.632 118.318 119.070 -0.201 0.000 2.567 119 H HA 0.220 4.787 4.556 0.019 0.000 0.267 119 H C 1.069 176.232 175.328 -0.275 0.000 1.148 119 H CA -0.143 55.780 56.048 -0.208 0.000 1.031 119 H CB 0.492 30.145 29.762 -0.181 0.000 1.691 119 H HN 0.262 nan 8.280 nan 0.000 0.588 120 E N 0.774 120.800 120.200 -0.289 0.000 2.153 120 E HA -0.066 4.298 4.350 0.023 0.000 0.194 120 E C 0.497 176.930 176.600 -0.278 0.000 0.988 120 E CA 0.679 56.883 56.400 -0.326 0.000 0.811 120 E CB 0.405 29.894 29.700 -0.350 0.000 0.746 120 E HN 0.165 nan 8.360 nan 0.000 0.466 121 R N 1.177 121.578 120.500 -0.165 0.000 2.410 121 R HA 0.349 4.703 4.340 0.023 0.000 0.288 121 R C 0.460 176.792 176.300 0.054 0.000 1.051 121 R CA -0.228 55.851 56.100 -0.035 0.000 1.021 121 R CB 0.689 30.962 30.300 -0.046 0.000 1.032 121 R HN 0.170 nan 8.270 nan 0.000 0.481 122 I N -1.010 119.659 120.570 0.165 0.000 2.910 122 I HA 0.594 4.778 4.170 0.023 0.000 0.310 122 I C -2.211 173.966 176.117 0.101 0.000 1.043 122 I CA -2.980 58.404 61.300 0.139 0.000 1.053 122 I CB 1.711 39.832 38.000 0.201 0.000 1.242 122 I HN 0.241 nan 8.210 nan 0.000 0.452 123 P HA 0.079 nan 4.420 nan 0.000 0.265 123 P C -0.852 176.478 177.300 0.051 0.000 1.193 123 P CA -0.047 63.081 63.100 0.045 0.000 0.765 123 P CB 0.409 32.124 31.700 0.026 0.000 0.823 124 E N 2.649 122.881 120.200 0.054 0.000 2.369 124 E HA 0.205 4.569 4.350 0.023 0.000 0.255 124 E C -0.462 176.166 176.600 0.046 0.000 1.172 124 E CA -0.872 55.565 56.400 0.062 0.000 0.932 124 E CB 0.576 30.318 29.700 0.070 0.000 1.040 124 E HN 0.257 nan 8.360 nan 0.000 0.454 125 R N 0.604 121.137 120.500 0.055 0.000 2.640 125 R HA 0.002 4.356 4.340 0.023 0.000 0.270 125 R C 1.298 177.636 176.300 0.063 0.000 1.024 125 R CA -0.392 55.739 56.100 0.053 0.000 1.085 125 R CB 0.257 30.606 30.300 0.081 0.000 0.963 125 R HN 0.559 nan 8.270 nan 0.000 0.426 126 I N 1.963 122.565 120.570 0.053 0.000 2.208 126 I HA -0.145 4.039 4.170 0.023 0.000 0.245 126 I C 1.225 177.399 176.117 0.095 0.000 1.097 126 I CA 1.548 62.888 61.300 0.067 0.000 1.363 126 I CB -1.045 37.000 38.000 0.075 0.000 1.051 126 I HN 0.394 nan 8.210 nan 0.000 0.413 127 V N -3.367 116.640 119.914 0.154 0.000 3.102 127 V HA 0.513 4.647 4.120 0.023 0.000 0.312 127 V C 0.387 176.653 176.094 0.287 0.000 1.135 127 V CA -0.858 61.558 62.300 0.193 0.000 1.022 127 V CB 1.790 33.801 31.823 0.313 0.000 1.056 127 V HN 0.423 nan 8.190 nan 0.000 0.436 128 H N 0.208 119.343 119.070 0.108 0.000 2.862 128 H HA -0.220 4.349 4.556 0.023 0.000 0.290 128 H C 1.556 176.930 175.328 0.078 0.000 1.211 128 H CA 0.760 56.864 56.048 0.093 0.000 1.140 128 H CB -1.244 28.560 29.762 0.071 0.000 1.341 128 H HN 1.174 nan 8.280 nan 0.000 0.392 129 A N 0.748 123.659 122.820 0.150 0.000 1.978 129 A HA -0.128 4.206 4.320 0.023 0.000 0.220 129 A C 1.710 179.382 177.584 0.147 0.000 1.170 129 A CA 1.456 53.569 52.037 0.127 0.000 0.636 129 A CB -0.095 18.959 19.000 0.090 0.000 0.810 129 A HN 0.279 nan 8.150 nan 0.000 0.448 130 R N 0.123 120.712 120.500 0.148 0.000 2.207 130 R HA 0.517 4.871 4.340 0.023 0.000 0.334 130 R C -0.193 176.232 176.300 0.207 0.000 1.013 130 R CA 0.662 56.868 56.100 0.177 0.000 0.858 130 R CB 0.345 30.736 30.300 0.151 0.000 1.094 130 R HN 0.315 nan 8.270 nan 0.000 0.457 131 G N 0.952 109.899 108.800 0.245 0.000 2.720 131 G HA2 0.499 4.473 3.960 0.023 0.000 0.295 131 G HA3 0.499 4.473 3.960 0.023 0.000 0.295 131 G C -1.604 173.443 174.900 0.245 0.000 1.437 131 G CA -0.592 44.613 45.100 0.175 0.000 0.886 131 G HN 0.488 nan 8.290 nan 0.000 0.509 132 S N -0.814 114.980 115.700 0.156 0.000 2.557 132 S HA 0.871 5.355 4.470 0.023 0.000 0.291 132 S C -0.055 174.558 174.600 0.021 0.000 1.116 132 S CA -0.225 58.128 58.200 0.256 0.000 0.992 132 S CB 1.699 65.160 63.200 0.435 0.000 1.028 132 S HN 1.445 nan 8.310 nan 0.000 0.484 133 A N 1.788 124.582 122.820 -0.042 0.000 2.430 133 A HA 1.038 5.372 4.320 0.023 0.000 0.300 133 A C -0.772 176.593 177.584 -0.364 0.000 1.124 133 A CA -0.760 51.027 52.037 -0.418 0.000 0.766 133 A CB 1.600 20.170 19.000 -0.717 0.000 1.328 133 A HN 1.292 nan 8.150 nan 0.000 0.424 134 A N 0.288 122.717 122.820 -0.652 0.000 2.610 134 A HA 0.708 5.042 4.320 0.023 0.000 0.291 134 A C -1.103 176.251 177.584 -0.384 0.000 1.086 134 A CA -0.663 51.163 52.037 -0.353 0.000 0.677 134 A CB 0.707 19.606 19.000 -0.168 0.000 1.278 134 A HN 0.880 nan 8.150 nan 0.000 0.414 135 H N -0.326 118.752 119.070 0.013 0.000 2.505 135 H HA 0.654 5.224 4.556 0.023 0.000 0.351 135 H C 0.599 175.927 175.328 -0.000 0.000 1.151 135 H CA 0.894 57.015 56.048 0.122 0.000 1.339 135 H CB 1.804 31.646 29.762 0.134 0.000 1.483 135 H HN 1.120 nan 8.280 nan 0.000 0.558 136 G N 0.807 109.708 108.800 0.169 0.000 2.578 136 G HA2 0.377 4.351 3.960 0.023 0.000 0.302 136 G HA3 0.377 4.351 3.960 0.023 0.000 0.302 136 G C -2.043 172.989 174.900 0.220 0.000 1.243 136 G CA -0.675 44.481 45.100 0.093 0.000 0.843 136 G HN 0.630 nan 8.290 nan 0.000 0.486 137 Y N -1.877 118.461 120.300 0.063 0.000 2.609 137 Y HA 0.833 5.397 4.550 0.023 0.000 0.336 137 Y C -1.886 174.148 175.900 0.222 0.000 1.129 137 Y CA -1.937 56.244 58.100 0.136 0.000 1.040 137 Y CB 1.906 40.418 38.460 0.087 0.000 1.310 137 Y HN 0.785 nan 8.280 nan 0.000 0.460 138 F N 2.251 122.331 119.950 0.217 0.000 2.563 138 F HA 0.701 5.242 4.527 0.023 0.000 0.316 138 F C -1.213 174.775 175.800 0.314 0.000 1.076 138 F CA -0.557 57.584 58.000 0.236 0.000 0.921 138 F CB 2.372 41.646 39.000 0.456 0.000 1.209 138 F HN 0.806 nan 8.300 nan 0.000 0.462 139 Q N 6.980 126.219 119.800 -0.934 0.000 2.309 139 Q HA 0.489 4.843 4.340 0.023 0.000 0.273 139 Q C -3.008 172.341 176.000 -1.084 0.000 1.040 139 Q CA -2.278 53.155 55.803 -0.617 0.000 0.834 139 Q CB 3.248 31.885 28.738 -0.169 0.000 1.345 139 Q HN 0.359 nan 8.270 nan 0.000 0.414 140 P HA 0.085 nan 4.420 nan 0.000 0.279 140 P C -0.428 176.695 177.300 -0.295 0.000 1.252 140 P CA -0.044 62.779 63.100 -0.462 0.000 0.811 140 P CB 0.687 32.309 31.700 -0.131 0.000 1.035 141 Y N 0.674 120.914 120.300 -0.101 0.000 2.314 141 Y HA -0.078 4.486 4.550 0.023 0.000 0.293 141 Y C 1.548 177.422 175.900 -0.043 0.000 1.129 141 Y CA 0.691 58.754 58.100 -0.061 0.000 1.201 141 Y CB 0.160 38.592 38.460 -0.046 0.000 0.999 141 Y HN 0.384 nan 8.280 nan 0.000 0.541 142 K N -1.324 119.138 120.400 0.103 0.000 2.578 142 K HA 0.387 4.720 4.320 0.023 0.000 0.287 142 K C -1.006 175.600 176.600 0.010 0.000 1.010 142 K CA -0.939 55.380 56.287 0.052 0.000 0.889 142 K CB 1.440 33.973 32.500 0.056 0.000 1.514 142 K HN -0.253 nan 8.250 nan 0.000 0.424 143 S N 0.649 116.352 115.700 0.005 0.000 2.549 143 S HA 0.195 4.678 4.470 0.023 0.000 0.283 143 S C 0.373 174.963 174.600 -0.016 0.000 1.320 143 S CA -0.659 57.535 58.200 -0.011 0.000 1.058 143 S CB -0.128 63.069 63.200 -0.005 0.000 0.882 143 S HN 0.536 nan 8.310 nan 0.000 0.498 144 L N 4.668 125.870 121.223 -0.035 0.000 2.928 144 L HA 0.139 4.493 4.340 0.023 0.000 0.246 144 L C 1.997 178.851 176.870 -0.027 0.000 1.239 144 L CA -0.064 54.763 54.840 -0.023 0.000 1.035 144 L CB -0.201 41.848 42.059 -0.017 0.000 1.360 144 L HN 0.858 nan 8.230 nan 0.000 0.529 145 S N -1.672 114.011 115.700 -0.029 0.000 2.419 145 S HA -0.205 4.279 4.470 0.023 0.000 0.235 145 S C 1.295 175.878 174.600 -0.027 0.000 1.019 145 S CA 1.214 59.395 58.200 -0.031 0.000 0.982 145 S CB -0.172 63.015 63.200 -0.022 0.000 0.789 145 S HN 0.396 nan 8.310 nan 0.000 0.490 146 D N 2.157 122.546 120.400 -0.017 0.000 2.182 146 D HA -0.050 4.604 4.640 0.023 0.000 0.201 146 D C 1.796 178.081 176.300 -0.025 0.000 0.986 146 D CA 1.578 55.568 54.000 -0.017 0.000 0.847 146 D CB -0.262 40.534 40.800 -0.007 0.000 0.942 146 D HN 0.827 nan 8.370 nan 0.000 0.467 147 I N -4.600 115.955 120.570 -0.024 0.000 4.323 147 I HA 0.240 4.424 4.170 0.023 0.000 0.328 147 I C 0.397 176.473 176.117 -0.068 0.000 1.310 147 I CA -0.073 61.205 61.300 -0.037 0.000 1.186 147 I CB 1.162 39.161 38.000 -0.002 0.000 1.130 147 I HN -0.246 nan 8.210 nan 0.000 0.411 148 T N 1.610 116.124 114.554 -0.066 0.000 3.097 148 T HA 0.296 4.660 4.350 0.023 0.000 0.332 148 T C -0.124 174.522 174.700 -0.090 0.000 1.269 148 T CA -0.708 61.334 62.100 -0.098 0.000 1.076 148 T CB 1.683 70.479 68.868 -0.119 0.000 1.209 148 T HN 0.420 nan 8.240 nan 0.000 0.474 149 K N 2.497 122.842 120.400 -0.090 0.000 2.417 149 K HA 0.559 4.893 4.320 0.023 0.000 0.196 149 K C 0.756 177.316 176.600 -0.067 0.000 1.023 149 K CA -0.327 55.919 56.287 -0.068 0.000 1.122 149 K CB 0.229 32.695 32.500 -0.056 0.000 0.850 149 K HN 0.500 nan 8.250 nan 0.000 0.521 150 A N 2.170 124.927 122.820 -0.106 0.000 2.548 150 A HA -0.060 4.274 4.320 0.023 0.000 0.247 150 A C 0.573 178.116 177.584 -0.068 0.000 1.067 150 A CA 0.098 52.082 52.037 -0.089 0.000 0.757 150 A CB 0.126 19.006 19.000 -0.199 0.000 0.996 150 A HN 0.455 nan 8.150 nan 0.000 0.504 151 D N 2.097 122.532 120.400 0.059 0.000 2.144 151 D HA -0.212 4.442 4.640 0.023 0.000 0.200 151 D C 1.377 177.750 176.300 0.122 0.000 0.978 151 D CA 2.099 56.148 54.000 0.082 0.000 0.833 151 D CB -0.241 40.626 40.800 0.113 0.000 0.961 151 D HN 0.720 nan 8.370 nan 0.000 0.470 152 F N -0.402 119.566 119.950 0.029 0.000 2.408 152 F HA 0.096 4.637 4.527 0.024 0.000 0.300 152 F C 1.080 176.962 175.800 0.137 0.000 1.090 152 F CA 0.574 58.629 58.000 0.091 0.000 1.427 152 F CB -0.229 38.821 39.000 0.082 0.000 1.070 152 F HN -0.046 nan 8.300 nan 0.000 0.549 153 L N 0.782 121.709 121.223 -0.494 0.000 2.769 153 L HA 0.188 4.542 4.340 0.023 0.000 0.240 153 L C 1.895 178.676 176.870 -0.148 0.000 1.163 153 L CA 0.352 54.969 54.840 -0.372 0.000 0.962 153 L CB -0.075 41.664 42.059 -0.534 0.000 1.258 153 L HN 0.325 nan 8.230 nan 0.000 0.513 154 S N -2.382 113.272 115.700 -0.076 0.000 2.524 154 S HA 0.044 4.527 4.470 0.023 0.000 0.216 154 S C 0.373 174.968 174.600 -0.008 0.000 0.987 154 S CA -0.090 58.088 58.200 -0.036 0.000 0.909 154 S CB 0.138 63.331 63.200 -0.013 0.000 0.781 154 S HN 0.350 nan 8.310 nan 0.000 0.521 155 D N 0.706 121.110 120.400 0.006 0.000 2.861 155 D HA 0.292 4.946 4.640 0.023 0.000 0.216 155 D C -2.547 173.765 176.300 0.020 0.000 1.323 155 D CA -1.724 52.287 54.000 0.018 0.000 0.917 155 D CB 2.003 42.821 40.800 0.030 0.000 1.582 155 D HN -0.155 nan 8.370 nan 0.000 0.576 156 P HA -0.091 nan 4.420 nan 0.000 0.223 156 P C 0.377 177.689 177.300 0.021 0.000 1.144 156 P CA 0.692 63.799 63.100 0.013 0.000 0.783 156 P CB 0.414 32.134 31.700 0.034 0.000 0.771 157 N N -0.518 118.200 118.700 0.031 0.000 2.280 157 N HA 0.024 4.777 4.740 0.023 0.000 0.192 157 N C 0.536 176.076 175.510 0.049 0.000 1.109 157 N CA 0.166 53.237 53.050 0.035 0.000 0.855 157 N CB 0.224 38.728 38.487 0.029 0.000 0.974 157 N HN 0.263 nan 8.380 nan 0.000 0.482 158 K N 1.715 122.154 120.400 0.066 0.000 2.284 158 K HA 0.212 4.546 4.320 0.023 0.000 0.287 158 K C -0.593 176.097 176.600 0.149 0.000 1.081 158 K CA -0.284 56.066 56.287 0.105 0.000 0.910 158 K CB 0.474 33.049 32.500 0.124 0.000 1.088 158 K HN -0.146 nan 8.250 nan 0.000 0.478 159 I N 3.848 124.510 120.570 0.153 0.000 2.336 159 I HA 0.167 4.350 4.170 0.023 0.000 0.292 159 I C 0.063 176.348 176.117 0.279 0.000 0.991 159 I CA -0.392 61.031 61.300 0.204 0.000 1.227 159 I CB 1.494 39.560 38.000 0.110 0.000 1.366 159 I HN 0.539 nan 8.210 nan 0.000 0.466 160 T N 7.997 122.802 114.554 0.420 0.000 2.786 160 T HA 0.386 4.750 4.350 0.023 0.000 0.283 160 T C -2.470 172.492 174.700 0.437 0.000 0.992 160 T CA -1.354 61.016 62.100 0.450 0.000 0.954 160 T CB 1.724 70.960 68.868 0.614 0.000 0.934 160 T HN 0.272 nan 8.240 nan 0.000 0.440 161 P HA 0.281 nan 4.420 nan 0.000 0.269 161 P C -0.605 176.937 177.300 0.403 0.000 1.209 161 P CA -0.441 62.865 63.100 0.343 0.000 0.776 161 P CB 0.550 32.388 31.700 0.229 0.000 0.876 162 V N -0.307 119.784 119.914 0.296 0.000 3.102 162 V HA 0.746 4.880 4.120 0.023 0.000 0.312 162 V C -1.265 174.985 176.094 0.261 0.000 1.135 162 V CA -0.970 61.391 62.300 0.102 0.000 1.022 162 V CB 2.225 33.901 31.823 -0.246 0.000 1.056 162 V HN 0.338 nan 8.190 nan 0.000 0.436 163 F N 1.794 121.706 119.950 -0.064 0.000 2.539 163 F HA 0.844 5.385 4.527 0.023 0.000 0.318 163 F C -0.937 174.757 175.800 -0.178 0.000 1.135 163 F CA -0.728 57.187 58.000 -0.143 0.000 0.915 163 F CB 2.022 40.962 39.000 -0.100 0.000 1.176 163 F HN 0.523 nan 8.300 nan 0.000 0.440 164 V N 6.530 125.971 119.914 -0.789 0.000 2.604 164 V HA 0.589 4.723 4.120 0.023 0.000 0.305 164 V C -0.750 174.684 176.094 -1.101 0.000 1.043 164 V CA -0.827 60.957 62.300 -0.860 0.000 0.888 164 V CB 2.014 33.267 31.823 -0.949 0.000 0.995 164 V HN 0.745 nan 8.190 nan 0.000 0.429 165 R N 3.443 123.297 120.500 -1.076 0.000 2.513 165 R HA 0.631 4.985 4.340 0.023 0.000 0.301 165 R C -1.621 174.084 176.300 -0.992 0.000 0.968 165 R CA -0.423 55.134 56.100 -0.904 0.000 0.872 165 R CB 1.241 31.165 30.300 -0.627 0.000 1.177 165 R HN 0.560 nan 8.270 nan 0.000 0.444 166 F N 1.758 121.293 119.950 -0.692 0.000 2.432 166 F HA 0.544 5.085 4.527 0.023 0.000 0.329 166 F C 0.462 175.896 175.800 -0.610 0.000 1.076 166 F CA -0.271 57.208 58.000 -0.868 0.000 1.018 166 F CB 2.143 40.148 39.000 -1.658 0.000 1.201 166 F HN 0.577 nan 8.300 nan 0.000 0.489 167 S N -1.227 114.389 115.700 -0.140 0.000 2.615 167 S HA 0.618 5.102 4.470 0.023 0.000 0.269 167 S C -0.588 174.151 174.600 0.232 0.000 1.161 167 S CA -0.936 57.327 58.200 0.105 0.000 0.817 167 S CB 1.383 64.701 63.200 0.197 0.000 1.131 167 S HN 0.728 nan 8.310 nan 0.000 0.467 168 T N -1.595 113.096 114.554 0.228 0.000 2.891 168 T HA 0.706 5.070 4.350 0.023 0.000 0.294 168 T C 0.755 175.438 174.700 -0.027 0.000 1.065 168 T CA -0.112 62.085 62.100 0.162 0.000 0.936 168 T CB 0.268 69.232 68.868 0.160 0.000 1.415 168 T HN 0.580 nan 8.240 nan 0.000 0.572 169 V N -0.175 119.682 119.914 -0.095 0.000 3.054 169 V HA 0.134 4.268 4.120 0.023 0.000 0.227 169 V C 2.732 178.750 176.094 -0.127 0.000 1.252 169 V CA 0.304 62.412 62.300 -0.320 0.000 1.279 169 V CB -0.289 31.417 31.823 -0.195 0.000 1.118 169 V HN 0.864 nan 8.190 nan 0.000 0.504 170 Q N 1.147 120.910 119.800 -0.062 0.000 2.062 170 Q HA 0.042 4.395 4.340 0.023 0.000 0.196 170 Q C 1.259 177.236 176.000 -0.038 0.000 0.967 170 Q CA 1.500 57.264 55.803 -0.064 0.000 0.832 170 Q CB -0.282 28.402 28.738 -0.089 0.000 0.899 170 Q HN 0.586 nan 8.270 nan 0.000 0.442 171 G N -0.222 108.569 108.800 -0.014 0.000 2.572 171 G HA2 0.405 4.379 3.960 0.023 0.000 0.261 171 G HA3 0.405 4.379 3.960 0.023 0.000 0.261 171 G C 0.107 175.015 174.900 0.014 0.000 1.197 171 G CA 0.039 45.136 45.100 -0.006 0.000 0.870 171 G HN 0.345 nan 8.290 nan 0.000 0.548 172 G N -1.171 107.634 108.800 0.008 0.000 2.653 172 G HA2 0.472 4.446 3.960 0.023 0.000 0.265 172 G HA3 0.472 4.446 3.960 0.023 0.000 0.265 172 G C 1.295 176.226 174.900 0.052 0.000 1.237 172 G CA 0.416 45.532 45.100 0.026 0.000 0.946 172 G HN 1.061 nan 8.290 nan 0.000 0.522 173 A N -0.950 121.912 122.820 0.069 0.000 2.067 173 A HA 0.190 4.523 4.320 0.023 0.000 0.219 173 A C 2.104 179.730 177.584 0.070 0.000 1.158 173 A CA 1.806 53.904 52.037 0.102 0.000 0.661 173 A CB -0.239 18.838 19.000 0.129 0.000 0.801 173 A HN 1.108 nan 8.150 nan 0.000 0.452 174 G N -0.034 108.787 108.800 0.036 0.000 3.434 174 G HA2 0.352 4.326 3.960 0.023 0.000 0.258 174 G HA3 0.352 4.326 3.960 0.023 0.000 0.258 174 G C 0.610 175.513 174.900 0.005 0.000 1.128 174 G CA 0.619 45.725 45.100 0.010 0.000 0.792 174 G HN 0.611 nan 8.290 nan 0.000 0.539 175 S N -0.200 115.511 115.700 0.019 0.000 2.655 175 S HA 0.746 5.229 4.470 0.023 0.000 0.265 175 S C 0.484 175.099 174.600 0.025 0.000 1.240 175 S CA -0.057 58.151 58.200 0.013 0.000 0.986 175 S CB 1.652 64.861 63.200 0.015 0.000 0.985 175 S HN 0.581 nan 8.310 nan 0.000 0.562 176 A N 0.148 122.978 122.820 0.017 0.000 2.286 176 A HA 0.463 4.797 4.320 0.023 0.000 0.286 176 A C 0.580 178.185 177.584 0.036 0.000 1.097 176 A CA -0.605 51.439 52.037 0.011 0.000 0.821 176 A CB 0.019 19.007 19.000 -0.019 0.000 1.076 176 A HN 0.866 nan 8.150 nan 0.000 0.490 177 D N 0.315 120.723 120.400 0.014 0.000 2.120 177 D HA -0.055 4.599 4.640 0.023 0.000 0.202 177 D C 1.610 177.882 176.300 -0.047 0.000 0.972 177 D CA 2.253 56.269 54.000 0.027 0.000 0.837 177 D CB -0.139 40.632 40.800 -0.048 0.000 0.989 177 D HN 0.665 nan 8.370 nan 0.000 0.469 178 T N -0.264 114.188 114.554 -0.169 0.000 3.284 178 T HA 0.292 4.656 4.350 0.023 0.000 0.249 178 T C 0.880 175.573 174.700 -0.012 0.000 0.944 178 T CA -0.562 61.442 62.100 -0.161 0.000 0.919 178 T CB -0.890 67.809 68.868 -0.282 0.000 1.089 178 T HN -0.067 nan 8.240 nan 0.000 0.576 179 V N -1.041 118.910 119.914 0.062 0.000 3.432 179 V HA 0.342 4.476 4.120 0.023 0.000 0.304 179 V C 0.710 176.947 176.094 0.239 0.000 1.107 179 V CA -1.188 61.202 62.300 0.150 0.000 1.153 179 V CB 0.215 32.111 31.823 0.122 0.000 1.072 179 V HN 0.599 nan 8.190 nan 0.000 0.485 180 R N 1.625 122.314 120.500 0.315 0.000 2.202 180 R HA 0.490 4.844 4.340 0.023 0.000 0.334 180 R C -0.947 175.432 176.300 0.130 0.000 1.036 180 R CA -0.154 56.083 56.100 0.228 0.000 0.878 180 R CB 0.294 30.659 30.300 0.108 0.000 1.067 180 R HN 1.070 nan 8.270 nan 0.000 0.457 181 D N 3.247 123.737 120.400 0.150 0.000 2.725 181 D HA 0.185 4.839 4.640 0.023 0.000 0.292 181 D C -0.637 175.777 176.300 0.190 0.000 1.288 181 D CA -0.620 53.459 54.000 0.132 0.000 0.784 181 D CB 1.226 42.093 40.800 0.111 0.000 1.308 181 D HN 0.235 nan 8.370 nan 0.000 0.429 182 I N 1.463 122.165 120.570 0.220 0.000 2.696 182 I HA 0.203 4.387 4.170 0.023 0.000 0.284 182 I C 0.864 177.123 176.117 0.236 0.000 1.129 182 I CA -0.030 61.413 61.300 0.240 0.000 1.410 182 I CB -0.042 38.139 38.000 0.302 0.000 1.399 182 I HN 0.225 nan 8.210 nan 0.000 0.579 183 R N 3.282 123.943 120.500 0.269 0.000 2.532 183 R HA 0.538 4.892 4.340 0.023 0.000 0.295 183 R C 0.039 176.533 176.300 0.323 0.000 0.968 183 R CA -0.742 55.534 56.100 0.294 0.000 0.916 183 R CB 1.360 31.855 30.300 0.324 0.000 1.124 183 R HN 0.802 nan 8.270 nan 0.000 0.463 184 G N 1.146 110.156 108.800 0.350 0.000 2.444 184 G HA2 0.420 4.394 3.960 0.023 0.000 0.268 184 G HA3 0.420 4.394 3.960 0.023 0.000 0.268 184 G C -1.216 173.776 174.900 0.154 0.000 1.203 184 G CA -0.049 45.219 45.100 0.281 0.000 0.835 184 G HN 0.367 nan 8.290 nan 0.000 0.543 185 F N 2.072 121.940 119.950 -0.137 0.000 2.902 185 F HA 0.651 5.192 4.527 0.023 0.000 0.368 185 F C -0.233 175.288 175.800 -0.465 0.000 1.202 185 F CA -1.910 55.910 58.000 -0.299 0.000 1.109 185 F CB 1.083 40.019 39.000 -0.107 0.000 1.418 185 F HN 0.666 nan 8.300 nan 0.000 0.527 186 A N 3.466 126.042 122.820 -0.406 0.000 2.318 186 A HA 0.812 5.146 4.320 0.023 0.000 0.324 186 A C -0.710 176.483 177.584 -0.653 0.000 1.170 186 A CA -0.477 51.162 52.037 -0.664 0.000 0.810 186 A CB 0.968 19.183 19.000 -1.309 0.000 1.198 186 A HN 0.568 nan 8.150 nan 0.000 0.484 187 T N 2.181 116.510 114.554 -0.376 0.000 2.840 187 T HA 0.378 4.742 4.350 0.023 0.000 0.287 187 T C -0.444 174.082 174.700 -0.289 0.000 0.991 187 T CA -0.487 61.383 62.100 -0.384 0.000 0.964 187 T CB 1.051 69.586 68.868 -0.555 0.000 0.954 187 T HN 0.645 nan 8.240 nan 0.000 0.438 188 K N 3.720 124.007 120.400 -0.188 0.000 2.281 188 K HA 0.447 4.781 4.320 0.023 0.000 0.272 188 K C -1.226 175.021 176.600 -0.589 0.000 1.048 188 K CA -0.587 55.477 56.287 -0.372 0.000 0.898 188 K CB 0.261 32.437 32.500 -0.541 0.000 1.128 188 K HN 0.368 nan 8.250 nan 0.000 0.460 189 F N 4.238 123.878 119.950 -0.516 0.000 2.411 189 F HA 0.226 4.767 4.527 0.023 0.000 0.355 189 F C -0.364 175.215 175.800 -0.369 0.000 1.117 189 F CA -0.570 57.190 58.000 -0.400 0.000 1.139 189 F CB 0.611 39.291 39.000 -0.532 0.000 1.120 189 F HN 0.424 nan 8.300 nan 0.000 0.493 190 Y N 1.805 122.164 120.300 0.098 0.000 2.714 190 Y HA 0.233 4.797 4.550 0.023 0.000 0.333 190 Y C 1.008 176.961 175.900 0.088 0.000 1.220 190 Y CA -0.862 57.273 58.100 0.060 0.000 1.513 190 Y CB -0.126 38.359 38.460 0.041 0.000 1.435 190 Y HN 0.573 nan 8.280 nan 0.000 0.489 191 T N -2.392 112.255 114.554 0.156 0.000 2.847 191 T HA 0.177 4.541 4.350 0.023 0.000 0.279 191 T C 0.989 175.782 174.700 0.154 0.000 0.984 191 T CA -0.680 61.516 62.100 0.161 0.000 0.988 191 T CB 1.074 70.004 68.868 0.104 0.000 1.040 191 T HN 0.640 nan 8.240 nan 0.000 0.528 192 E N -0.055 120.240 120.200 0.157 0.000 2.418 192 E HA -0.022 4.342 4.350 0.023 0.000 0.197 192 E C 0.894 177.560 176.600 0.109 0.000 1.026 192 E CA 0.641 57.117 56.400 0.125 0.000 0.862 192 E CB 0.132 29.902 29.700 0.117 0.000 0.799 192 E HN 0.718 nan 8.360 nan 0.000 0.518 193 E N 0.086 120.354 120.200 0.113 0.000 2.789 193 E HA 0.273 4.637 4.350 0.023 0.000 0.208 193 E C -0.032 176.618 176.600 0.084 0.000 0.988 193 E CA -0.292 56.166 56.400 0.098 0.000 1.092 193 E CB 1.393 31.153 29.700 0.101 0.000 1.066 193 E HN 0.173 nan 8.360 nan 0.000 0.465 194 G N 1.130 109.974 108.800 0.073 0.000 2.362 194 G HA2 -0.091 3.883 3.960 0.023 0.000 0.656 194 G HA3 -0.091 3.883 3.960 0.023 0.000 0.656 194 G C -0.952 173.959 174.900 0.019 0.000 1.376 194 G CA -1.137 43.985 45.100 0.036 0.000 0.971 194 G HN 0.017 nan 8.290 nan 0.000 0.636 195 I N 0.873 121.421 120.570 -0.037 0.000 2.556 195 I HA 0.363 4.547 4.170 0.023 0.000 0.284 195 I C 0.160 176.287 176.117 0.017 0.000 1.114 195 I CA -0.097 61.154 61.300 -0.081 0.000 1.418 195 I CB 0.641 38.523 38.000 -0.197 0.000 1.394 195 I HN 0.458 nan 8.210 nan 0.000 0.552 196 F N 6.770 126.610 119.950 -0.184 0.000 2.449 196 F HA 0.443 4.984 4.527 0.023 0.000 0.342 196 F C -0.489 175.271 175.800 -0.065 0.000 1.127 196 F CA -1.251 56.637 58.000 -0.186 0.000 0.975 196 F CB 0.748 39.473 39.000 -0.458 0.000 1.146 196 F HN 0.350 nan 8.300 nan 0.000 0.444 197 D N 6.815 127.039 120.400 -0.293 0.000 2.329 197 D HA 0.241 4.894 4.640 0.023 0.000 0.232 197 D C -0.962 174.892 176.300 -0.744 0.000 1.088 197 D CA -0.113 53.653 54.000 -0.390 0.000 0.835 197 D CB 1.995 42.758 40.800 -0.062 0.000 1.078 197 D HN 0.456 nan 8.370 nan 0.000 0.495 198 L N 4.135 124.872 121.223 -0.810 0.000 2.277 198 L HA 0.319 4.673 4.340 0.023 0.000 0.284 198 L C -1.191 175.475 176.870 -0.339 0.000 1.028 198 L CA -0.759 53.681 54.840 -0.667 0.000 0.835 198 L CB 1.075 42.733 42.059 -0.667 0.000 1.215 198 L HN 0.051 nan 8.230 nan 0.000 0.425 199 V N 6.242 125.994 119.914 -0.270 0.000 2.277 199 V HA 0.777 4.911 4.120 0.023 0.000 0.269 199 V C 0.767 176.771 176.094 -0.151 0.000 1.036 199 V CA 0.019 62.168 62.300 -0.252 0.000 0.821 199 V CB 0.337 31.969 31.823 -0.318 0.000 1.052 199 V HN 0.902 nan 8.190 nan 0.000 0.462 200 G N 3.415 112.144 108.800 -0.118 0.000 3.108 200 G HA2 0.681 4.655 3.960 0.023 0.000 0.268 200 G HA3 0.681 4.655 3.960 0.023 0.000 0.268 200 G C -1.020 173.906 174.900 0.043 0.000 1.361 200 G CA -0.586 44.496 45.100 -0.030 0.000 1.047 200 G HN 0.471 nan 8.290 nan 0.000 0.540 201 N N -1.056 117.718 118.700 0.123 0.000 2.761 201 N HA 0.255 5.009 4.740 0.023 0.000 0.283 201 N C 0.271 175.970 175.510 0.316 0.000 1.377 201 N CA -0.717 52.465 53.050 0.220 0.000 0.791 201 N CB 1.457 40.055 38.487 0.186 0.000 1.540 201 N HN 0.525 nan 8.380 nan 0.000 0.539 202 N N -1.304 117.598 118.700 0.336 0.000 2.268 202 N HA -0.001 4.753 4.740 0.023 0.000 0.204 202 N C -0.462 175.322 175.510 0.458 0.000 1.124 202 N CA -0.059 53.249 53.050 0.429 0.000 0.838 202 N CB -0.095 38.614 38.487 0.370 0.000 0.994 202 N HN 0.552 nan 8.380 nan 0.000 0.489 203 T N -3.539 111.089 114.554 0.123 0.000 2.906 203 T HA 0.478 4.842 4.350 0.023 0.000 0.295 203 T C -2.675 171.383 174.700 -1.069 0.000 1.075 203 T CA -1.593 60.110 62.100 -0.661 0.000 1.005 203 T CB 2.917 71.281 68.868 -0.841 0.000 1.136 203 T HN -0.231 nan 8.240 nan 0.000 0.498 204 P HA 0.242 nan 4.420 nan 0.000 0.257 204 P C 0.282 177.065 177.300 -0.861 0.000 1.281 204 P CA -0.039 62.162 63.100 -1.499 0.000 0.826 204 P CB -0.097 30.653 31.700 -1.583 0.000 1.237 205 I N -4.376 115.664 120.570 -0.884 0.000 3.343 205 I HA 0.567 4.751 4.170 0.023 0.000 0.315 205 I C -1.452 174.403 176.117 -0.438 0.000 1.153 205 I CA -1.944 58.984 61.300 -0.620 0.000 0.952 205 I CB 1.441 39.031 38.000 -0.684 0.000 1.287 205 I HN -0.230 nan 8.210 nan 0.000 0.472 206 F N 0.088 119.744 119.950 -0.489 0.000 2.639 206 F HA 0.511 5.052 4.527 0.023 0.000 0.339 206 F C 0.308 175.851 175.800 -0.428 0.000 1.071 206 F CA -0.782 56.963 58.000 -0.425 0.000 0.994 206 F CB 2.006 40.891 39.000 -0.191 0.000 1.341 206 F HN 0.374 nan 8.300 nan 0.000 0.498 207 F N 2.112 121.250 119.950 -1.352 0.000 2.325 207 F HA 0.054 4.595 4.527 0.023 0.000 0.299 207 F C 0.615 176.104 175.800 -0.517 0.000 1.090 207 F CA 0.797 58.203 58.000 -0.990 0.000 1.392 207 F CB -0.116 37.887 39.000 -1.661 0.000 1.053 207 F HN 0.130 nan 8.300 nan 0.000 0.521 208 I N -3.701 116.818 120.570 -0.086 0.000 3.042 208 I HA 0.381 4.565 4.170 0.023 0.000 0.310 208 I C 0.252 176.497 176.117 0.213 0.000 1.117 208 I CA -0.862 60.503 61.300 0.109 0.000 1.003 208 I CB 1.925 40.050 38.000 0.208 0.000 1.228 208 I HN -0.206 nan 8.210 nan 0.000 0.443 209 Q N 0.144 120.079 119.800 0.225 0.000 2.349 209 Q HA 0.179 4.533 4.340 0.023 0.000 0.209 209 Q C -0.347 175.822 176.000 0.282 0.000 0.920 209 Q CA 0.494 56.471 55.803 0.291 0.000 0.901 209 Q CB 0.612 29.596 28.738 0.409 0.000 1.021 209 Q HN 0.637 nan 8.270 nan 0.000 0.519 210 D N -0.997 119.541 120.400 0.230 0.000 2.498 210 D HA 0.316 4.970 4.640 0.023 0.000 0.247 210 D C -0.029 176.398 176.300 0.211 0.000 1.070 210 D CA -0.238 53.870 54.000 0.180 0.000 0.842 210 D CB 1.886 42.764 40.800 0.130 0.000 1.361 210 D HN 0.046 nan 8.370 nan 0.000 0.484 211 A N 3.297 126.214 122.820 0.162 0.000 2.076 211 A HA -0.232 4.102 4.320 0.023 0.000 0.220 211 A C 1.764 179.472 177.584 0.207 0.000 1.160 211 A CA 1.585 53.715 52.037 0.155 0.000 0.653 211 A CB -0.719 18.315 19.000 0.056 0.000 0.801 211 A HN 0.800 nan 8.150 nan 0.000 0.455 212 H N 0.099 119.230 119.070 0.101 0.000 2.457 212 H HA -0.010 4.560 4.556 0.023 0.000 0.297 212 H C 1.581 176.988 175.328 0.132 0.000 1.092 212 H CA 1.870 57.970 56.048 0.087 0.000 1.309 212 H CB 0.053 29.843 29.762 0.046 0.000 1.382 212 H HN 0.411 nan 8.280 nan 0.000 0.535 213 K N -0.646 119.882 120.400 0.214 0.000 2.444 213 K HA -0.040 4.294 4.320 0.023 0.000 0.193 213 K C 1.394 178.137 176.600 0.239 0.000 1.024 213 K CA 0.021 56.433 56.287 0.208 0.000 1.077 213 K CB 0.057 32.731 32.500 0.292 0.000 0.833 213 K HN 0.289 nan 8.250 nan 0.000 0.517 214 F N 2.901 122.912 119.950 0.102 0.000 2.126 214 F HA -0.135 4.406 4.527 0.023 0.000 0.299 214 F C -1.027 174.794 175.800 0.036 0.000 1.096 214 F CA 1.272 59.359 58.000 0.144 0.000 1.255 214 F CB -0.345 38.730 39.000 0.126 0.000 0.997 214 F HN 0.018 nan 8.300 nan 0.000 0.479 215 P HA -0.105 nan 4.420 nan 0.000 0.221 215 P C 0.977 177.974 177.300 -0.505 0.000 1.150 215 P CA 1.485 64.362 63.100 -0.371 0.000 0.800 215 P CB -0.046 31.443 31.700 -0.351 0.000 0.787 216 D N -0.997 119.248 120.400 -0.260 0.000 2.084 216 D HA -0.166 4.488 4.640 0.023 0.000 0.194 216 D C 1.820 177.833 176.300 -0.478 0.000 0.990 216 D CA 1.082 54.964 54.000 -0.197 0.000 0.826 216 D CB -0.922 39.940 40.800 0.103 0.000 0.971 216 D HN 0.132 nan 8.370 nan 0.000 0.453 217 F N 1.936 121.466 119.950 -0.700 0.000 2.069 217 F HA -0.263 4.278 4.527 0.023 0.000 0.298 217 F C 2.350 177.764 175.800 -0.643 0.000 1.113 217 F CA 1.310 58.715 58.000 -0.993 0.000 1.214 217 F CB -0.233 38.405 39.000 -0.603 0.000 0.978 217 F HN -0.240 nan 8.300 nan 0.000 0.474 218 V N 0.194 119.719 119.914 -0.647 0.000 2.343 218 V HA -0.352 3.782 4.120 0.023 0.000 0.247 218 V C 2.260 178.138 176.094 -0.359 0.000 1.051 218 V CA 2.438 64.382 62.300 -0.594 0.000 1.036 218 V CB -1.094 30.393 31.823 -0.560 0.000 0.654 218 V HN 0.481 nan 8.190 nan 0.000 0.451 219 H N -0.152 118.694 119.070 -0.372 0.000 2.353 219 H HA -0.181 4.389 4.556 0.023 0.000 0.298 219 H C 2.321 177.498 175.328 -0.250 0.000 1.103 219 H CA 1.145 57.049 56.048 -0.240 0.000 1.293 219 H CB 0.008 29.680 29.762 -0.150 0.000 1.372 219 H HN 0.496 nan 8.280 nan 0.000 0.501 220 A N 0.346 122.992 122.820 -0.291 0.000 1.930 220 A HA -0.096 4.238 4.320 0.023 0.000 0.217 220 A C 2.506 179.951 177.584 -0.231 0.000 1.175 220 A CA 1.316 53.183 52.037 -0.283 0.000 0.627 220 A CB -0.606 18.081 19.000 -0.521 0.000 0.815 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.251 119.395 119.914 -0.447 0.000 2.649 221 V HA 0.008 4.142 4.120 0.023 0.000 0.248 221 V C 0.965 177.025 176.094 -0.057 0.000 1.054 221 V CA 0.805 62.912 62.300 -0.322 0.000 1.073 221 V CB -0.416 31.001 31.823 -0.677 0.000 0.699 221 V HN 0.344 nan 8.190 nan 0.000 0.463 222 K N 0.917 121.245 120.400 -0.120 0.000 2.187 222 K HA 0.220 4.554 4.320 0.023 0.000 0.247 222 K C -2.277 174.262 176.600 -0.100 0.000 1.019 222 K CA -1.554 54.676 56.287 -0.096 0.000 0.893 222 K CB -0.329 32.111 32.500 -0.100 0.000 1.025 222 K HN 0.160 nan 8.250 nan 0.000 0.500 223 P HA -0.024 nan 4.420 nan 0.000 0.266 223 P C -0.533 176.699 177.300 -0.115 0.000 1.195 223 P CA 0.452 63.411 63.100 -0.234 0.000 0.768 223 P CB 0.374 31.954 31.700 -0.199 0.000 0.838 224 E N 4.787 124.964 120.200 -0.039 0.000 2.383 224 E HA 0.014 4.378 4.350 0.023 0.000 0.264 224 E C -1.273 175.404 176.600 0.128 0.000 1.050 224 E CA -1.347 55.137 56.400 0.140 0.000 0.896 224 E CB 0.219 30.126 29.700 0.346 0.000 0.982 224 E HN 0.418 nan 8.360 nan 0.000 0.424 225 P HA -0.175 nan 4.420 nan 0.000 0.225 225 P C 0.937 178.312 177.300 0.124 0.000 1.156 225 P CA 1.235 64.378 63.100 0.071 0.000 0.787 225 P CB 0.081 31.792 31.700 0.017 0.000 0.802 226 H N -0.655 118.446 119.070 0.052 0.000 2.326 226 H HA -0.085 4.485 4.556 0.023 0.000 0.301 226 H C 1.426 176.843 175.328 0.149 0.000 1.081 226 H CA 1.452 57.519 56.048 0.032 0.000 1.334 226 H CB -1.332 28.379 29.762 -0.085 0.000 1.385 226 H HN 0.315 nan 8.280 nan 0.000 0.504 227 W N -0.182 120.786 121.300 -0.553 0.000 2.714 227 W HA 0.701 5.374 4.660 0.023 0.000 0.353 227 W C 0.462 176.815 176.519 -0.276 0.000 0.999 227 W CA -1.108 56.002 57.345 -0.392 0.000 1.629 227 W CB -0.697 28.494 29.460 -0.448 0.000 1.106 227 W HN 0.420 nan 8.180 nan 0.000 0.545 228 A N 1.429 124.241 122.820 -0.014 0.000 2.610 228 A HA -0.144 4.189 4.320 0.023 0.000 0.299 228 A C -0.380 176.993 177.584 -0.352 0.000 1.487 228 A CA 1.490 53.440 52.037 -0.144 0.000 0.743 228 A CB -2.393 16.545 19.000 -0.103 0.000 1.070 228 A HN 0.466 nan 8.150 nan 0.000 0.439 229 I N 0.484 120.705 120.570 -0.583 0.000 2.686 229 I HA 0.526 4.710 4.170 0.023 0.000 0.295 229 I C -2.454 173.355 176.117 -0.515 0.000 1.114 229 I CA -2.393 58.449 61.300 -0.763 0.000 1.038 229 I CB 2.952 39.978 38.000 -1.624 0.000 1.238 229 I HN 0.204 nan 8.210 nan 0.000 0.420 230 P HA 0.283 nan 4.420 nan 0.000 0.290 230 P C -1.499 175.645 177.300 -0.260 0.000 1.283 230 P CA -0.778 62.112 63.100 -0.349 0.000 0.869 230 P CB 1.652 33.229 31.700 -0.204 0.000 1.100 231 Q N 0.929 120.618 119.800 -0.185 0.000 2.286 231 Q HA 0.472 4.826 4.340 0.023 0.000 0.257 231 Q C 1.116 177.078 176.000 -0.064 0.000 0.941 231 Q CA 1.079 56.810 55.803 -0.120 0.000 0.912 231 Q CB -0.311 28.366 28.738 -0.101 0.000 1.192 231 Q HN 0.824 nan 8.270 nan 0.000 0.410 232 G N 3.210 111.982 108.800 -0.047 0.000 2.160 232 G HA2 -0.282 3.692 3.960 0.023 0.000 0.251 232 G HA3 -0.282 3.692 3.960 0.023 0.000 0.251 232 G C -0.384 174.528 174.900 0.019 0.000 1.008 232 G CA 0.450 45.547 45.100 -0.005 0.000 0.724 232 G HN 0.541 nan 8.290 nan 0.000 0.514 233 Q N -0.960 118.838 119.800 -0.003 0.000 2.289 233 Q HA 0.535 4.889 4.340 0.023 0.000 0.270 233 Q C 0.699 176.703 176.000 0.007 0.000 1.038 233 Q CA -0.096 55.733 55.803 0.043 0.000 0.812 233 Q CB 1.790 30.595 28.738 0.111 0.000 1.300 233 Q HN 0.446 nan 8.270 nan 0.000 0.427 234 S N -0.499 115.097 115.700 -0.173 0.000 2.575 234 S HA 0.210 4.694 4.470 0.023 0.000 0.215 234 S C 0.853 175.355 174.600 -0.163 0.000 0.966 234 S CA -0.077 57.781 58.200 -0.571 0.000 0.911 234 S CB 0.356 62.642 63.200 -1.523 0.000 0.780 234 S HN 0.584 nan 8.310 nan 0.000 0.514 235 A N 2.411 125.344 122.820 0.189 0.000 3.037 235 A HA 0.537 4.871 4.320 0.023 0.000 0.272 235 A C 0.093 177.906 177.584 0.382 0.000 1.723 235 A CA -0.551 51.690 52.037 0.340 0.000 1.413 235 A CB -1.202 17.950 19.000 0.252 0.000 1.112 235 A HN 0.889 nan 8.150 nan 0.000 0.606 236 H N -3.403 115.868 119.070 0.335 0.000 3.003 236 H HA 0.462 5.032 4.556 0.023 0.000 0.327 236 H C -0.313 175.215 175.328 0.334 0.000 1.353 236 H CA -0.685 55.520 56.048 0.262 0.000 1.142 236 H CB 0.175 30.047 29.762 0.183 0.000 1.864 236 H HN 0.077 nan 8.280 nan 0.000 0.529 237 D N 0.270 120.845 120.400 0.291 0.000 2.116 237 D HA -0.199 4.455 4.640 0.023 0.000 0.193 237 D C 2.088 178.460 176.300 0.120 0.000 0.998 237 D CA 3.131 57.241 54.000 0.183 0.000 0.836 237 D CB -0.303 40.581 40.800 0.140 0.000 0.951 237 D HN 0.787 nan 8.370 nan 0.000 0.449 238 T N -1.704 112.925 114.554 0.125 0.000 2.867 238 T HA -0.178 4.186 4.350 0.023 0.000 0.268 238 T C 1.892 176.546 174.700 -0.077 0.000 1.057 238 T CA 0.581 62.718 62.100 0.061 0.000 1.136 238 T CB -0.682 68.272 68.868 0.143 0.000 0.874 238 T HN 0.155 nan 8.240 nan 0.000 0.466 239 F N 0.933 120.586 119.950 -0.494 0.000 2.075 239 F HA 0.057 4.597 4.527 0.023 0.000 0.297 239 F C 1.834 177.379 175.800 -0.425 0.000 1.113 239 F CA 0.877 58.508 58.000 -0.615 0.000 1.218 239 F CB -0.601 37.828 39.000 -0.952 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.672 121.898 121.300 -0.122 0.000 2.465 240 W HA -0.087 4.587 4.660 0.023 0.000 0.268 240 W C 2.264 178.701 176.519 -0.138 0.000 1.242 240 W CA 1.077 58.334 57.345 -0.147 0.000 1.248 240 W CB -0.703 28.763 29.460 0.009 0.000 1.118 240 W HN 0.090 nan 8.180 nan 0.000 0.587 241 D N -0.584 119.859 120.400 0.071 0.000 2.092 241 D HA -0.299 4.355 4.640 0.023 0.000 0.193 241 D C 1.883 178.192 176.300 0.015 0.000 0.994 241 D CA 1.537 55.565 54.000 0.046 0.000 0.828 241 D CB -0.507 40.331 40.800 0.063 0.000 0.963 241 D HN 0.211 nan 8.370 nan 0.000 0.450 242 Y N 0.275 120.469 120.300 -0.176 0.000 2.145 242 Y HA -0.166 4.398 4.550 0.024 0.000 0.286 242 Y C 2.265 178.034 175.900 -0.217 0.000 1.145 242 Y CA 1.394 59.379 58.100 -0.191 0.000 1.148 242 Y CB -0.383 37.929 38.460 -0.246 0.000 0.981 242 Y HN -0.118 nan 8.280 nan 0.000 0.507 243 V N 0.195 119.995 119.914 -0.190 0.000 2.332 243 V HA -0.342 3.792 4.120 0.023 0.000 0.248 243 V C 2.574 178.615 176.094 -0.088 0.000 1.055 243 V CA 2.262 64.435 62.300 -0.212 0.000 1.038 243 V CB -1.169 30.391 31.823 -0.439 0.000 0.651 243 V HN 0.669 nan 8.190 nan 0.000 0.450 244 S N -0.359 115.332 115.700 -0.016 0.000 2.423 244 S HA -0.039 4.445 4.470 0.023 0.000 0.231 244 S C 1.707 176.280 174.600 -0.045 0.000 1.014 244 S CA 1.248 59.466 58.200 0.029 0.000 0.965 244 S CB -0.413 62.830 63.200 0.070 0.000 0.785 244 S HN 0.553 nan 8.310 nan 0.000 0.495 245 L N -0.018 121.130 121.223 -0.125 0.000 2.585 245 L HA 0.319 4.673 4.340 0.023 0.000 0.226 245 L C 0.540 177.240 176.870 -0.283 0.000 1.113 245 L CA 0.166 54.903 54.840 -0.172 0.000 0.876 245 L CB 0.054 42.015 42.059 -0.163 0.000 1.072 245 L HN 0.244 nan 8.230 nan 0.000 0.468 246 Q N 0.269 119.859 119.800 -0.350 0.000 3.090 246 Q HA 0.226 4.580 4.340 0.023 0.000 0.241 246 Q C -1.955 173.824 176.000 -0.367 0.000 0.958 246 Q CA -1.370 54.177 55.803 -0.427 0.000 0.715 246 Q CB 1.557 29.909 28.738 -0.644 0.000 1.298 246 Q HN -0.009 nan 8.270 nan 0.000 0.468 247 P HA -0.207 nan 4.420 nan 0.000 0.225 247 P C 0.946 177.959 177.300 -0.478 0.000 1.148 247 P CA 1.042 63.898 63.100 -0.406 0.000 0.779 247 P CB 0.256 31.685 31.700 -0.452 0.000 0.780 248 E N 0.728 120.521 120.200 -0.678 0.000 2.267 248 E HA -0.172 4.192 4.350 0.023 0.000 0.197 248 E C 1.426 177.980 176.600 -0.076 0.000 0.998 248 E CA 1.770 58.009 56.400 -0.267 0.000 0.830 248 E CB -1.242 28.371 29.700 -0.145 0.000 0.751 248 E HN 0.285 nan 8.360 nan 0.000 0.491 249 T N -0.632 113.878 114.554 -0.075 0.000 3.035 249 T HA 0.011 4.375 4.350 0.023 0.000 0.268 249 T C 1.920 176.687 174.700 0.111 0.000 1.109 249 T CA 0.434 62.556 62.100 0.036 0.000 1.119 249 T CB -0.312 68.600 68.868 0.074 0.000 0.900 249 T HN 0.154 nan 8.240 nan 0.000 0.503 250 L N -0.057 121.237 121.223 0.119 0.000 2.141 250 L HA -0.035 4.319 4.340 0.023 0.000 0.209 250 L C 2.844 179.892 176.870 0.296 0.000 1.094 250 L CA 1.575 56.561 54.840 0.243 0.000 0.763 250 L CB -0.758 41.461 42.059 0.267 0.000 0.908 250 L HN 0.468 nan 8.230 nan 0.000 0.437 251 H N 0.049 119.176 119.070 0.094 0.000 2.299 251 H HA -0.180 4.390 4.556 0.023 0.000 0.302 251 H C 2.136 177.474 175.328 0.016 0.000 1.078 251 H CA 1.677 57.780 56.048 0.092 0.000 1.323 251 H CB 0.263 30.045 29.762 0.034 0.000 1.381 251 H HN 0.358 nan 8.280 nan 0.000 0.498 252 N N -0.047 118.463 118.700 -0.318 0.000 2.244 252 N HA -0.130 4.624 4.740 0.023 0.000 0.183 252 N C 1.972 177.307 175.510 -0.292 0.000 1.016 252 N CA 0.757 53.406 53.050 -0.669 0.000 0.866 252 N CB 0.282 37.899 38.487 -1.450 0.000 0.980 252 N HN 0.114 nan 8.380 nan 0.000 0.430 253 V N 1.913 121.882 119.914 0.092 0.000 2.252 253 V HA -0.303 3.831 4.120 0.023 0.000 0.249 253 V C 2.544 178.775 176.094 0.229 0.000 1.056 253 V CA 1.434 63.934 62.300 0.332 0.000 1.022 253 V CB -0.431 31.637 31.823 0.407 0.000 0.641 253 V HN 0.404 nan 8.190 nan 0.000 0.445 254 M N -1.622 118.156 119.600 0.296 0.000 2.082 254 M HA -0.243 4.251 4.480 0.023 0.000 0.258 254 M C 2.084 178.376 176.300 -0.013 0.000 1.069 254 M CA 2.023 57.492 55.300 0.281 0.000 1.102 254 M CB -1.325 31.474 32.600 0.332 0.000 1.336 254 M HN 0.483 nan 8.290 nan 0.000 0.404 255 W N 0.446 121.467 121.300 -0.465 0.000 2.338 255 W HA -0.106 4.568 4.660 0.023 0.000 0.304 255 W C 2.809 179.240 176.519 -0.146 0.000 1.212 255 W CA 1.906 58.930 57.345 -0.535 0.000 1.264 255 W CB -0.974 28.114 29.460 -0.620 0.000 1.142 255 W HN 0.302 nan 8.180 nan 0.000 0.512 256 A N -0.949 121.949 122.820 0.130 0.000 2.014 256 A HA -0.129 4.205 4.320 0.023 0.000 0.218 256 A C 1.910 179.543 177.584 0.082 0.000 1.163 256 A CA 1.341 53.464 52.037 0.142 0.000 0.652 256 A CB -0.499 18.627 19.000 0.209 0.000 0.808 256 A HN 0.080 nan 8.150 nan 0.000 0.449 257 M N 0.639 120.246 119.600 0.012 0.000 2.419 257 M HA 0.017 4.511 4.480 0.023 0.000 0.264 257 M C 1.524 177.867 176.300 0.072 0.000 1.082 257 M CA 0.782 56.028 55.300 -0.089 0.000 1.119 257 M CB -1.351 30.943 32.600 -0.510 0.000 1.398 257 M HN 0.533 nan 8.290 nan 0.000 0.453 258 S N 0.364 116.165 115.700 0.168 0.000 2.617 258 S HA 0.063 4.547 4.470 0.023 0.000 0.259 258 S C 0.747 175.478 174.600 0.219 0.000 1.301 258 S CA -0.390 57.952 58.200 0.238 0.000 0.984 258 S CB 0.909 64.302 63.200 0.322 0.000 0.954 258 S HN 0.202 nan 8.310 nan 0.000 0.572 259 D N 0.291 120.841 120.400 0.250 0.000 2.378 259 D HA 0.005 4.659 4.640 0.023 0.000 0.222 259 D C 1.897 178.345 176.300 0.246 0.000 0.980 259 D CA 0.379 54.547 54.000 0.280 0.000 0.907 259 D CB -0.160 40.875 40.800 0.391 0.000 0.899 259 D HN 0.397 nan 8.370 nan 0.000 0.527 260 R N 0.241 120.878 120.500 0.228 0.000 2.127 260 R HA -0.071 4.283 4.340 0.023 0.000 0.238 260 R C 2.089 178.546 176.300 0.261 0.000 1.134 260 R CA 1.096 57.355 56.100 0.264 0.000 0.975 260 R CB -0.862 29.652 30.300 0.357 0.000 0.865 260 R HN 0.189 nan 8.270 nan 0.000 0.447 261 G N 1.322 110.262 108.800 0.234 0.000 2.776 261 G HA2 -0.031 3.943 3.960 0.023 0.000 0.209 261 G HA3 -0.031 3.943 3.960 0.023 0.000 0.209 261 G C 1.033 176.074 174.900 0.235 0.000 1.145 261 G CA 0.145 45.375 45.100 0.217 0.000 0.791 261 G HN 0.439 nan 8.290 nan 0.000 0.530 262 I N -2.416 118.304 120.570 0.249 0.000 2.948 262 I HA 0.351 4.535 4.170 0.023 0.000 0.308 262 I C -2.845 173.427 176.117 0.259 0.000 1.478 262 I CA -2.578 58.878 61.300 0.260 0.000 0.843 262 I CB 1.680 39.840 38.000 0.267 0.000 2.100 262 I HN -0.269 nan 8.210 nan 0.000 0.625 263 P HA 0.050 nan 4.420 nan 0.000 0.269 263 P C 0.609 178.044 177.300 0.224 0.000 1.209 263 P CA -0.082 63.125 63.100 0.179 0.000 0.776 263 P CB 1.156 32.896 31.700 0.067 0.000 0.876 264 R N 2.061 122.680 120.500 0.198 0.000 2.092 264 R HA -0.005 4.349 4.340 0.023 0.000 0.231 264 R C 0.405 176.841 176.300 0.228 0.000 1.119 264 R CA 1.525 57.790 56.100 0.276 0.000 0.970 264 R CB -0.404 30.030 30.300 0.223 0.000 0.864 264 R HN 0.547 nan 8.270 nan 0.000 0.440 265 S N -2.677 112.950 115.700 -0.123 0.000 2.552 265 S HA 0.210 4.694 4.470 0.023 0.000 0.272 265 S C -0.220 174.037 174.600 -0.571 0.000 1.150 265 S CA -0.873 57.078 58.200 -0.415 0.000 0.849 265 S CB 0.132 63.230 63.200 -0.170 0.000 1.113 265 S HN 0.119 nan 8.310 nan 0.000 0.458 266 Y N 2.436 122.345 120.300 -0.653 0.000 2.298 266 Y HA -0.040 4.524 4.550 0.023 0.000 0.287 266 Y C 2.388 177.928 175.900 -0.601 0.000 1.164 266 Y CA 1.458 59.054 58.100 -0.841 0.000 1.229 266 Y CB -0.380 37.172 38.460 -1.514 0.000 0.977 266 Y HN 0.583 nan 8.280 nan 0.000 0.538 267 R N -0.540 119.815 120.500 -0.243 0.000 2.235 267 R HA -0.037 4.317 4.340 0.023 0.000 0.213 267 R C 0.992 177.247 176.300 -0.075 0.000 1.059 267 R CA 1.479 57.499 56.100 -0.134 0.000 0.997 267 R CB -0.349 29.867 30.300 -0.140 0.000 0.884 267 R HN 0.360 nan 8.270 nan 0.000 0.462 268 T N -1.947 112.577 114.554 -0.050 0.000 3.374 268 T HA 0.355 4.718 4.350 0.023 0.000 0.267 268 T C 0.124 174.864 174.700 0.066 0.000 0.996 268 T CA -0.696 61.408 62.100 0.006 0.000 0.977 268 T CB -0.061 68.796 68.868 -0.018 0.000 1.149 268 T HN 0.056 nan 8.240 nan 0.000 0.517 269 M N -1.169 118.509 119.600 0.130 0.000 2.658 269 M HA 0.746 5.240 4.480 0.023 0.000 0.295 269 M C -1.116 175.363 176.300 0.298 0.000 1.248 269 M CA -0.923 54.498 55.300 0.201 0.000 0.843 269 M CB 2.057 34.773 32.600 0.192 0.000 1.749 269 M HN -0.141 nan 8.290 nan 0.000 0.464 270 E N 0.294 120.673 120.200 0.299 0.000 2.314 270 E HA 0.643 5.007 4.350 0.023 0.000 0.262 270 E C -0.302 176.382 176.600 0.139 0.000 1.093 270 E CA -0.523 55.986 56.400 0.182 0.000 0.908 270 E CB 1.677 31.405 29.700 0.046 0.000 1.091 270 E HN 0.846 nan 8.360 nan 0.000 0.425 271 G N 0.763 109.486 108.800 -0.128 0.000 2.481 271 G HA2 0.647 4.621 3.960 0.023 0.000 0.315 271 G HA3 0.647 4.621 3.960 0.023 0.000 0.315 271 G C -1.450 173.016 174.900 -0.724 0.000 1.231 271 G CA -0.465 44.531 45.100 -0.173 0.000 0.968 271 G HN 0.298 nan 8.290 nan 0.000 0.482 272 F N -0.522 119.379 119.950 -0.081 0.000 2.596 272 F HA 0.449 4.989 4.527 0.023 0.000 0.311 272 F C 1.153 176.862 175.800 -0.152 0.000 1.116 272 F CA -0.434 57.435 58.000 -0.219 0.000 0.957 272 F CB 2.362 41.182 39.000 -0.298 0.000 1.250 272 F HN 0.632 nan 8.300 nan 0.000 0.444 273 G N 0.839 109.699 108.800 0.099 0.000 2.448 273 G HA2 0.254 4.227 3.960 0.023 0.000 0.219 273 G HA3 0.254 4.227 3.960 0.023 0.000 0.219 273 G C 1.408 176.356 174.900 0.079 0.000 1.127 273 G CA 0.941 46.153 45.100 0.187 0.000 0.766 273 G HN 1.400 nan 8.290 nan 0.000 0.552 274 G N -0.024 108.745 108.800 -0.052 0.000 4.039 274 G HA2 -0.309 3.665 3.960 0.023 0.000 0.220 274 G HA3 -0.309 3.665 3.960 0.023 0.000 0.220 274 G C 0.549 175.278 174.900 -0.285 0.000 1.391 274 G CA 0.451 45.374 45.100 -0.295 0.000 0.920 274 G HN 0.694 nan 8.290 nan 0.000 0.599 275 H N 1.696 120.776 119.070 0.016 0.000 2.547 275 H HA 0.482 5.052 4.556 0.023 0.000 0.362 275 H C 0.199 175.468 175.328 -0.098 0.000 1.181 275 H CA 0.623 56.600 56.048 -0.118 0.000 1.376 275 H CB 0.423 29.978 29.762 -0.345 0.000 1.488 275 H HN 0.293 nan 8.280 nan 0.000 0.583 276 T N 3.417 117.949 114.554 -0.037 0.000 2.834 276 T HA 0.193 4.557 4.350 0.023 0.000 0.298 276 T C 0.230 174.866 174.700 -0.108 0.000 0.966 276 T CA 0.201 62.265 62.100 -0.061 0.000 1.141 276 T CB -0.260 68.523 68.868 -0.142 0.000 0.905 276 T HN 0.237 nan 8.240 nan 0.000 0.535 277 F N 1.234 121.131 119.950 -0.087 0.000 2.611 277 F HA 0.659 5.200 4.527 0.023 0.000 0.374 277 F C 1.011 176.765 175.800 -0.077 0.000 1.110 277 F CA -1.386 56.587 58.000 -0.044 0.000 1.090 277 F CB 1.443 40.391 39.000 -0.087 0.000 1.388 277 F HN 0.192 nan 8.300 nan 0.000 0.501 278 R N 0.587 121.143 120.500 0.095 0.000 2.670 278 R HA 0.650 5.004 4.340 0.023 0.000 0.289 278 R C -1.623 174.561 176.300 -0.193 0.000 0.965 278 R CA -0.877 55.140 56.100 -0.138 0.000 0.899 278 R CB 1.991 32.135 30.300 -0.260 0.000 1.173 278 R HN 0.424 nan 8.270 nan 0.000 0.456 279 L N 3.269 124.331 121.223 -0.268 0.000 2.334 279 L HA 0.547 4.901 4.340 0.023 0.000 0.275 279 L C -0.392 176.316 176.870 -0.269 0.000 1.036 279 L CA -0.928 53.762 54.840 -0.251 0.000 0.807 279 L CB 1.133 43.049 42.059 -0.237 0.000 1.231 279 L HN 0.343 nan 8.230 nan 0.000 0.438 280 I N 2.430 122.868 120.570 -0.220 0.000 2.447 280 I HA 0.276 4.460 4.170 0.023 0.000 0.287 280 I C -0.363 175.667 176.117 -0.145 0.000 1.023 280 I CA -0.703 60.473 61.300 -0.207 0.000 1.083 280 I CB 1.372 39.259 38.000 -0.189 0.000 1.245 280 I HN 0.655 nan 8.210 nan 0.000 0.434 281 N N 4.873 123.502 118.700 -0.120 0.000 2.448 281 N HA 0.407 5.161 4.740 0.023 0.000 0.274 281 N C 0.835 176.305 175.510 -0.067 0.000 1.239 281 N CA -0.341 52.658 53.050 -0.085 0.000 0.982 281 N CB 0.639 39.085 38.487 -0.070 0.000 1.199 281 N HN 0.509 nan 8.380 nan 0.000 0.576 282 A N -0.592 122.198 122.820 -0.051 0.000 2.015 282 A HA -0.092 4.242 4.320 0.023 0.000 0.219 282 A C 1.506 179.070 177.584 -0.034 0.000 1.163 282 A CA 1.233 53.245 52.037 -0.041 0.000 0.646 282 A CB -0.750 18.232 19.000 -0.030 0.000 0.806 282 A HN 0.743 nan 8.150 nan 0.000 0.448 283 E N -1.274 118.907 120.200 -0.032 0.000 2.511 283 E HA 0.258 4.622 4.350 0.023 0.000 0.196 283 E C 1.246 177.835 176.600 -0.017 0.000 1.066 283 E CA 0.774 57.160 56.400 -0.023 0.000 0.871 283 E CB -0.186 29.502 29.700 -0.020 0.000 0.863 283 E HN 0.731 nan 8.360 nan 0.000 0.520 284 G N 1.146 109.933 108.800 -0.022 0.000 2.141 284 G HA2 -0.367 3.607 3.960 0.023 0.000 0.242 284 G HA3 -0.367 3.607 3.960 0.023 0.000 0.242 284 G C 0.266 175.186 174.900 0.032 0.000 0.982 284 G CA 0.322 45.427 45.100 0.009 0.000 0.662 284 G HN 0.277 nan 8.290 nan 0.000 0.527 285 K N 0.785 121.166 120.400 -0.031 0.000 2.322 285 K HA 0.642 4.976 4.320 0.023 0.000 0.283 285 K C 0.642 177.115 176.600 -0.212 0.000 1.042 285 K CA 0.195 56.438 56.287 -0.073 0.000 0.958 285 K CB 0.492 32.949 32.500 -0.071 0.000 0.984 285 K HN 0.570 nan 8.250 nan 0.000 0.473 286 A N 3.574 126.155 122.820 -0.398 0.000 2.301 286 A HA 0.384 4.718 4.320 0.023 0.000 0.298 286 A C -0.701 176.557 177.584 -0.544 0.000 1.185 286 A CA -0.463 51.156 52.037 -0.697 0.000 0.830 286 A CB 0.955 19.064 19.000 -1.486 0.000 1.112 286 A HN 0.730 nan 8.150 nan 0.000 0.508 287 T N 2.492 116.766 114.554 -0.465 0.000 2.824 287 T HA 0.541 4.905 4.350 0.023 0.000 0.282 287 T C -0.572 173.905 174.700 -0.371 0.000 0.993 287 T CA -0.098 61.781 62.100 -0.368 0.000 0.967 287 T CB 0.492 69.247 68.868 -0.189 0.000 0.960 287 T HN 0.340 nan 8.240 nan 0.000 0.441 288 F N 1.976 121.831 119.950 -0.159 0.000 2.418 288 F HA 0.533 5.074 4.527 0.023 0.000 0.341 288 F C 0.551 176.236 175.800 -0.192 0.000 1.120 288 F CA -0.445 57.457 58.000 -0.163 0.000 1.232 288 F CB 0.744 39.669 39.000 -0.126 0.000 1.175 288 F HN 0.197 nan 8.300 nan 0.000 0.569 289 V N 4.610 124.497 119.914 -0.045 0.000 2.808 289 V HA 0.572 4.706 4.120 0.023 0.000 0.308 289 V C -0.989 174.888 176.094 -0.361 0.000 1.099 289 V CA -0.732 61.391 62.300 -0.295 0.000 0.920 289 V CB 1.975 33.410 31.823 -0.646 0.000 1.014 289 V HN 0.770 nan 8.190 nan 0.000 0.425 290 R N 4.793 125.143 120.500 -0.249 0.000 2.589 290 R HA 0.581 4.935 4.340 0.023 0.000 0.293 290 R C -1.548 174.672 176.300 -0.133 0.000 0.963 290 R CA -0.512 55.456 56.100 -0.220 0.000 0.905 290 R CB 2.029 32.322 30.300 -0.011 0.000 1.144 290 R HN 0.577 nan 8.270 nan 0.000 0.459 291 F N 1.828 121.818 119.950 0.066 0.000 2.385 291 F HA 0.366 4.907 4.527 0.023 0.000 0.336 291 F C 0.912 176.653 175.800 -0.098 0.000 1.100 291 F CA -0.061 57.942 58.000 0.005 0.000 1.116 291 F CB 0.877 39.771 39.000 -0.177 0.000 1.166 291 F HN 0.202 nan 8.300 nan 0.000 0.511 292 H N 0.817 119.872 119.070 -0.024 0.000 2.851 292 H HA 0.238 4.808 4.556 0.023 0.000 0.372 292 H C -1.579 173.524 175.328 -0.374 0.000 1.158 292 H CA -0.954 54.981 56.048 -0.189 0.000 1.159 292 H CB 1.987 31.733 29.762 -0.026 0.000 1.757 292 H HN 0.670 nan 8.280 nan 0.000 0.546 293 W N 2.194 123.367 121.300 -0.212 0.000 2.656 293 W HA 0.332 5.006 4.660 0.023 0.000 0.327 293 W C -0.159 176.389 176.519 0.049 0.000 1.041 293 W CA -0.773 56.519 57.345 -0.089 0.000 1.229 293 W CB 1.888 31.126 29.460 -0.370 0.000 1.397 293 W HN 0.282 nan 8.180 nan 0.000 0.479 294 K N 5.624 126.312 120.400 0.480 0.000 2.265 294 K HA 0.381 4.715 4.320 0.023 0.000 0.267 294 K C -2.390 174.449 176.600 0.399 0.000 0.994 294 K CA -1.887 54.610 56.287 0.350 0.000 0.860 294 K CB 1.361 34.015 32.500 0.256 0.000 1.099 294 K HN 0.040 nan 8.250 nan 0.000 0.448 295 P HA 0.042 nan 4.420 nan 0.000 0.276 295 P C 0.356 177.664 177.300 0.014 0.000 1.253 295 P CA -0.070 63.105 63.100 0.126 0.000 0.766 295 P CB 0.754 32.538 31.700 0.140 0.000 0.845 296 L N 2.645 123.816 121.223 -0.086 0.000 2.456 296 L HA -0.068 4.286 4.340 0.023 0.000 0.224 296 L C 2.099 178.947 176.870 -0.037 0.000 1.148 296 L CA 1.077 55.901 54.840 -0.027 0.000 0.825 296 L CB -0.632 41.421 42.059 -0.010 0.000 0.937 296 L HN 0.346 nan 8.230 nan 0.000 0.450 297 A N 0.006 122.778 122.820 -0.079 0.000 2.275 297 A HA 0.461 4.794 4.320 0.023 0.000 0.212 297 A C 1.210 178.790 177.584 -0.007 0.000 1.201 297 A CA 0.563 52.570 52.037 -0.049 0.000 0.843 297 A CB -0.281 18.669 19.000 -0.083 0.000 0.873 297 A HN 0.440 nan 8.150 nan 0.000 0.492 298 G N -0.540 108.271 108.800 0.019 0.000 2.712 298 G HA2 -0.118 3.856 3.960 0.023 0.000 0.683 298 G HA3 -0.118 3.856 3.960 0.023 0.000 0.683 298 G C -0.682 174.251 174.900 0.054 0.000 1.320 298 G CA -0.527 44.604 45.100 0.051 0.000 0.847 298 G HN 0.428 nan 8.290 nan 0.000 0.553 299 K N 0.177 120.617 120.400 0.067 0.000 2.183 299 K HA 0.723 5.057 4.320 0.023 0.000 0.274 299 K C 0.201 176.815 176.600 0.023 0.000 1.009 299 K CA 0.191 56.507 56.287 0.048 0.000 0.888 299 K CB 1.763 34.280 32.500 0.027 0.000 1.078 299 K HN 1.385 nan 8.250 nan 0.000 0.459 300 A N 1.803 124.622 122.820 -0.001 0.000 2.547 300 A HA 0.637 4.971 4.320 0.023 0.000 0.297 300 A C -1.123 176.518 177.584 0.095 0.000 1.056 300 A CA -0.666 51.327 52.037 -0.073 0.000 0.688 300 A CB 1.729 20.465 19.000 -0.440 0.000 1.282 300 A HN 0.526 nan 8.150 nan 0.000 0.400 301 S N 0.445 116.357 115.700 0.354 0.000 2.632 301 S HA 0.738 5.222 4.470 0.023 0.000 0.289 301 S C -0.144 174.780 174.600 0.541 0.000 1.115 301 S CA -0.630 57.811 58.200 0.400 0.000 0.889 301 S CB 1.188 64.612 63.200 0.375 0.000 1.116 301 S HN 0.657 nan 8.310 nan 0.000 0.486 302 L N 1.367 122.801 121.223 0.351 0.000 2.482 302 L HA 0.497 4.851 4.340 0.023 0.000 0.242 302 L C 0.116 177.113 176.870 0.211 0.000 1.210 302 L CA -0.742 54.227 54.840 0.216 0.000 0.819 302 L CB 0.123 42.224 42.059 0.070 0.000 1.203 302 L HN 0.498 nan 8.230 nan 0.000 0.495 303 V N -2.902 117.032 119.914 0.033 0.000 2.732 303 V HA 0.166 4.300 4.120 0.023 0.000 0.310 303 V C 0.743 176.786 176.094 -0.086 0.000 1.053 303 V CA -0.775 61.510 62.300 -0.025 0.000 0.957 303 V CB 1.564 33.338 31.823 -0.083 0.000 1.018 303 V HN 0.944 nan 8.190 nan 0.000 0.452 304 W N 2.121 123.290 121.300 -0.219 0.000 2.317 304 W HA -0.260 4.413 4.660 0.023 0.000 0.318 304 W C 1.827 178.186 176.519 -0.266 0.000 1.227 304 W CA 2.655 59.864 57.345 -0.227 0.000 1.269 304 W CB -0.113 29.198 29.460 -0.247 0.000 1.155 304 W HN 1.007 nan 8.180 nan 0.000 0.484 305 D N 0.099 120.242 120.400 -0.428 0.000 2.144 305 D HA -0.284 4.370 4.640 0.023 0.000 0.199 305 D C 2.148 178.096 176.300 -0.586 0.000 0.984 305 D CA 2.080 55.768 54.000 -0.520 0.000 0.834 305 D CB -0.484 40.262 40.800 -0.091 0.000 0.955 305 D HN 0.378 nan 8.370 nan 0.000 0.465 306 E N -0.299 119.421 120.200 -0.801 0.000 2.031 306 E HA -0.222 4.142 4.350 0.023 0.000 0.193 306 E C 2.042 178.305 176.600 -0.562 0.000 0.994 306 E CA 1.100 56.974 56.400 -0.876 0.000 0.800 306 E CB -0.245 28.811 29.700 -1.074 0.000 0.752 306 E HN 0.310 nan 8.360 nan 0.000 0.447 307 A N 1.233 123.750 122.820 -0.505 0.000 1.865 307 A HA -0.290 4.044 4.320 0.023 0.000 0.217 307 A C 2.204 179.460 177.584 -0.547 0.000 1.191 307 A CA 1.987 53.780 52.037 -0.408 0.000 0.623 307 A CB -0.838 18.058 19.000 -0.174 0.000 0.826 307 A HN 0.476 nan 8.150 nan 0.000 0.444 308 Q N -0.712 118.532 119.800 -0.927 0.000 2.124 308 Q HA -0.198 4.156 4.340 0.023 0.000 0.202 308 Q C 2.137 177.848 176.000 -0.482 0.000 0.977 308 Q CA 1.934 57.208 55.803 -0.883 0.000 0.850 308 Q CB -0.113 27.819 28.738 -1.345 0.000 0.901 308 Q HN 0.669 nan 8.270 nan 0.000 0.429 309 K N -0.181 119.958 120.400 -0.435 0.000 2.103 309 K HA -0.121 4.213 4.320 0.023 0.000 0.204 309 K C 2.006 178.462 176.600 -0.240 0.000 1.052 309 K CA 0.609 56.737 56.287 -0.265 0.000 0.945 309 K CB -0.054 32.333 32.500 -0.189 0.000 0.722 309 K HN 0.155 nan 8.250 nan 0.000 0.443 310 L N 1.352 122.392 121.223 -0.305 0.000 2.131 310 L HA -0.158 4.196 4.340 0.023 0.000 0.210 310 L C 2.116 178.848 176.870 -0.231 0.000 1.092 310 L CA 2.299 56.955 54.840 -0.306 0.000 0.759 310 L CB -1.021 40.770 42.059 -0.447 0.000 0.903 310 L HN 0.392 nan 8.230 nan 0.000 0.435 311 T N -4.231 110.192 114.554 -0.217 0.000 2.849 311 T HA -0.085 4.279 4.350 0.023 0.000 0.270 311 T C 1.832 176.467 174.700 -0.108 0.000 1.066 311 T CA 1.047 63.062 62.100 -0.143 0.000 1.130 311 T CB -0.992 67.805 68.868 -0.119 0.000 0.864 311 T HN 0.401 nan 8.240 nan 0.000 0.481 312 G N 0.959 109.687 108.800 -0.120 0.000 2.437 312 G HA2 0.020 3.994 3.960 0.023 0.000 0.212 312 G HA3 0.020 3.994 3.960 0.023 0.000 0.212 312 G C 1.899 176.754 174.900 -0.075 0.000 1.174 312 G CA -0.292 44.756 45.100 -0.087 0.000 0.811 312 G HN 0.295 nan 8.290 nan 0.000 0.537 313 R N 0.240 120.686 120.500 -0.090 0.000 2.115 313 R HA 0.056 4.410 4.340 0.023 0.000 0.226 313 R C -0.203 176.069 176.300 -0.047 0.000 1.100 313 R CA 0.711 56.771 56.100 -0.067 0.000 0.980 313 R CB -0.133 30.119 30.300 -0.081 0.000 0.875 313 R HN 0.325 nan 8.270 nan 0.000 0.445 314 D N -0.499 119.866 120.400 -0.058 0.000 2.411 314 D HA 0.141 4.795 4.640 0.023 0.000 0.239 314 D C -2.137 174.161 176.300 -0.003 0.000 1.307 314 D CA -1.713 52.286 54.000 -0.001 0.000 0.930 314 D CB 1.418 42.266 40.800 0.081 0.000 1.395 314 D HN -0.135 nan 8.370 nan 0.000 0.536 315 P HA 0.025 nan 4.420 nan 0.000 0.230 315 P C 0.067 177.372 177.300 0.007 0.000 1.158 315 P CA 0.526 63.613 63.100 -0.022 0.000 0.769 315 P CB 0.538 32.224 31.700 -0.025 0.000 0.807 316 D N -1.315 119.103 120.400 0.029 0.000 2.388 316 D HA 0.068 4.722 4.640 0.023 0.000 0.221 316 D C 1.234 177.578 176.300 0.074 0.000 1.133 316 D CA -0.397 53.628 54.000 0.041 0.000 0.831 316 D CB -0.559 40.245 40.800 0.006 0.000 0.962 316 D HN 0.137 nan 8.370 nan 0.000 0.502 317 F N 1.202 121.092 119.950 -0.100 0.000 2.095 317 F HA -0.234 4.307 4.527 0.023 0.000 0.298 317 F C 2.076 177.850 175.800 -0.044 0.000 1.104 317 F CA 1.840 59.780 58.000 -0.100 0.000 1.232 317 F CB 0.076 38.963 39.000 -0.188 0.000 0.987 317 F HN 0.102 nan 8.300 nan 0.000 0.475 318 H N -1.128 117.888 119.070 -0.089 0.000 2.363 318 H HA -0.088 4.482 4.556 0.023 0.000 0.301 318 H C 2.382 177.625 175.328 -0.142 0.000 1.074 318 H CA 0.911 56.755 56.048 -0.340 0.000 1.354 318 H CB -0.141 29.247 29.762 -0.624 0.000 1.397 318 H HN 0.169 nan 8.280 nan 0.000 0.516 319 R N 1.204 121.818 120.500 0.189 0.000 2.083 319 R HA -0.166 4.188 4.340 0.023 0.000 0.237 319 R C 2.467 178.875 176.300 0.181 0.000 1.137 319 R CA 1.547 57.798 56.100 0.252 0.000 0.951 319 R CB -0.060 30.367 30.300 0.212 0.000 0.851 319 R HN 0.212 nan 8.270 nan 0.000 0.434 320 R N 0.288 120.817 120.500 0.047 0.000 2.070 320 R HA -0.152 4.202 4.340 0.023 0.000 0.233 320 R C 2.196 178.498 176.300 0.004 0.000 1.137 320 R CA 1.736 57.845 56.100 0.014 0.000 0.945 320 R CB -0.276 29.997 30.300 -0.045 0.000 0.845 320 R HN 0.261 nan 8.270 nan 0.000 0.430 321 E N 0.669 120.759 120.200 -0.184 0.000 2.077 321 E HA -0.206 4.158 4.350 0.023 0.000 0.193 321 E C 2.018 178.590 176.600 -0.046 0.000 0.989 321 E CA 1.124 57.391 56.400 -0.221 0.000 0.800 321 E CB -0.086 29.298 29.700 -0.527 0.000 0.746 321 E HN 0.254 nan 8.360 nan 0.000 0.452 322 L N 0.898 122.139 121.223 0.030 0.000 1.976 322 L HA -0.169 4.185 4.340 0.023 0.000 0.209 322 L C 2.263 179.235 176.870 0.171 0.000 1.071 322 L CA 1.968 56.874 54.840 0.111 0.000 0.746 322 L CB -1.083 41.111 42.059 0.225 0.000 0.890 322 L HN 0.319 nan 8.230 nan 0.000 0.432 323 W N 0.980 122.319 121.300 0.065 0.000 2.335 323 W HA -0.245 4.429 4.660 0.023 0.000 0.311 323 W C 2.274 178.825 176.519 0.054 0.000 1.213 323 W CA 2.357 59.751 57.345 0.081 0.000 1.274 323 W CB -0.202 29.306 29.460 0.082 0.000 1.148 323 W HN 0.376 nan 8.180 nan 0.000 0.498 324 E N -0.107 120.282 120.200 0.314 0.000 2.150 324 E HA -0.137 4.227 4.350 0.023 0.000 0.193 324 E C 2.319 178.955 176.600 0.060 0.000 0.985 324 E CA 1.036 57.535 56.400 0.165 0.000 0.814 324 E CB -0.353 29.397 29.700 0.084 0.000 0.752 324 E HN 0.205 nan 8.360 nan 0.000 0.466 325 A N 1.212 124.063 122.820 0.053 0.000 1.898 325 A HA -0.157 4.177 4.320 0.023 0.000 0.216 325 A C 2.152 179.763 177.584 0.043 0.000 1.181 325 A CA 0.990 53.049 52.037 0.037 0.000 0.620 325 A CB -0.470 18.549 19.000 0.033 0.000 0.819 325 A HN 0.123 nan 8.150 nan 0.000 0.442 326 I N -0.434 120.180 120.570 0.073 0.000 2.252 326 I HA -0.228 3.956 4.170 0.023 0.000 0.245 326 I C 2.431 178.619 176.117 0.119 0.000 1.102 326 I CA 1.373 62.766 61.300 0.155 0.000 1.385 326 I CB -0.377 37.648 38.000 0.043 0.000 1.064 326 I HN 0.404 nan 8.210 nan 0.000 0.414 327 E N 0.780 120.997 120.200 0.028 0.000 2.204 327 E HA -0.192 4.172 4.350 0.023 0.000 0.195 327 E C 2.093 178.711 176.600 0.029 0.000 0.990 327 E CA 1.204 57.633 56.400 0.048 0.000 0.821 327 E CB -0.093 29.665 29.700 0.097 0.000 0.750 327 E HN 0.510 nan 8.360 nan 0.000 0.477 328 A N 0.013 122.826 122.820 -0.012 0.000 2.208 328 A HA 0.227 4.561 4.320 0.023 0.000 0.209 328 A C 1.787 179.299 177.584 -0.120 0.000 1.161 328 A CA 0.915 52.923 52.037 -0.047 0.000 0.782 328 A CB -0.100 18.869 19.000 -0.053 0.000 0.816 328 A HN 0.332 nan 8.150 nan 0.000 0.477 329 G N -0.319 108.327 108.800 -0.257 0.000 2.179 329 G HA2 -0.218 3.756 3.960 0.023 0.000 0.260 329 G HA3 -0.218 3.756 3.960 0.023 0.000 0.260 329 G C -0.180 174.180 174.900 -0.900 0.000 0.977 329 G CA 0.255 44.875 45.100 -0.801 0.000 0.641 329 G HN 0.482 nan 8.290 nan 0.000 0.533 330 D N 1.109 121.273 120.400 -0.395 0.000 2.688 330 D HA 0.276 4.930 4.640 0.023 0.000 0.228 330 D C 0.727 176.955 176.300 -0.119 0.000 1.116 330 D CA -0.060 53.810 54.000 -0.218 0.000 1.023 330 D CB -0.712 40.067 40.800 -0.035 0.000 1.100 330 D HN 0.423 nan 8.370 nan 0.000 0.487 331 F N 1.401 121.351 119.950 0.001 0.000 2.578 331 F HA 0.096 4.637 4.527 0.023 0.000 0.376 331 F C -1.369 174.400 175.800 -0.051 0.000 1.085 331 F CA -2.000 55.993 58.000 -0.012 0.000 1.260 331 F CB 0.014 39.019 39.000 0.008 0.000 1.095 331 F HN -0.078 nan 8.300 nan 0.000 0.573 332 P HA 0.009 nan 4.420 nan 0.000 0.263 332 P C -1.098 176.144 177.300 -0.097 0.000 1.195 332 P CA 0.412 63.496 63.100 -0.027 0.000 0.762 332 P CB 0.418 32.184 31.700 0.110 0.000 0.799 333 E N 2.426 122.432 120.200 -0.324 0.000 2.222 333 E HA 0.468 4.832 4.350 0.023 0.000 0.267 333 E C -1.041 175.253 176.600 -0.509 0.000 0.884 333 E CA -0.575 55.684 56.400 -0.234 0.000 0.764 333 E CB 1.456 31.112 29.700 -0.072 0.000 1.169 333 E HN 0.376 nan 8.360 nan 0.000 0.413 334 Y N 0.355 120.725 120.300 0.117 0.000 2.492 334 Y HA 0.241 4.805 4.550 0.023 0.000 0.346 334 Y C -0.265 175.873 175.900 0.396 0.000 0.997 334 Y CA -0.950 57.297 58.100 0.244 0.000 1.025 334 Y CB 2.049 40.604 38.460 0.159 0.000 1.263 334 Y HN 0.470 nan 8.280 nan 0.000 0.454 335 E N 2.826 123.368 120.200 0.570 0.000 2.146 335 E HA 0.392 4.756 4.350 0.023 0.000 0.282 335 E C -1.469 175.434 176.600 0.505 0.000 0.989 335 E CA -0.925 55.765 56.400 0.484 0.000 0.799 335 E CB 0.991 30.905 29.700 0.358 0.000 1.088 335 E HN 0.575 nan 8.360 nan 0.000 0.397 336 L N 4.256 125.699 121.223 0.368 0.000 2.380 336 L HA 0.557 4.911 4.340 0.023 0.000 0.273 336 L C -0.077 176.728 176.870 -0.109 0.000 1.138 336 L CA 0.571 55.320 54.840 -0.153 0.000 0.832 336 L CB 1.139 43.041 42.059 -0.262 0.000 1.124 336 L HN 0.582 nan 8.230 nan 0.000 0.454 337 G N 4.155 112.891 108.800 -0.106 0.000 2.659 337 G HA2 0.561 4.535 3.960 0.023 0.000 0.296 337 G HA3 0.561 4.535 3.960 0.023 0.000 0.296 337 G C -1.747 173.281 174.900 0.213 0.000 1.369 337 G CA -0.502 44.577 45.100 -0.035 0.000 0.937 337 G HN 0.456 nan 8.290 nan 0.000 0.485 338 F N 0.278 120.248 119.950 0.033 0.000 2.529 338 F HA 0.387 4.928 4.527 0.023 0.000 0.320 338 F C 0.246 176.047 175.800 0.002 0.000 1.118 338 F CA -0.936 57.092 58.000 0.045 0.000 0.915 338 F CB 2.705 41.720 39.000 0.025 0.000 1.161 338 F HN 0.147 nan 8.300 nan 0.000 0.445 339 Q N 3.673 123.597 119.800 0.206 0.000 2.274 339 Q HA 0.397 4.751 4.340 0.023 0.000 0.256 339 Q C -1.246 174.802 176.000 0.080 0.000 0.927 339 Q CA -0.826 55.041 55.803 0.107 0.000 0.939 339 Q CB 1.900 30.709 28.738 0.120 0.000 1.201 339 Q HN 0.317 nan 8.270 nan 0.000 0.426 340 L N 4.445 125.720 121.223 0.087 0.000 2.341 340 L HA 0.570 4.924 4.340 0.023 0.000 0.278 340 L C -0.594 176.331 176.870 0.093 0.000 1.005 340 L CA -0.365 54.515 54.840 0.068 0.000 0.818 340 L CB 1.613 43.721 42.059 0.082 0.000 1.259 340 L HN 0.598 nan 8.230 nan 0.000 0.418 341 I N 4.936 125.576 120.570 0.117 0.000 2.478 341 I HA 0.353 4.537 4.170 0.023 0.000 0.287 341 I C -2.266 173.968 176.117 0.194 0.000 1.042 341 I CA -1.828 59.584 61.300 0.187 0.000 1.067 341 I CB 2.525 40.656 38.000 0.217 0.000 1.233 341 I HN 0.357 nan 8.210 nan 0.000 0.431 342 P HA 0.030 nan 4.420 nan 0.000 0.267 342 P C 0.630 177.997 177.300 0.111 0.000 1.200 342 P CA 0.006 63.143 63.100 0.063 0.000 0.772 342 P CB 0.817 32.551 31.700 0.057 0.000 0.855 343 E N 1.488 121.671 120.200 -0.028 0.000 2.070 343 E HA -0.291 4.073 4.350 0.023 0.000 0.197 343 E C 1.102 177.793 176.600 0.151 0.000 1.004 343 E CA 1.589 57.985 56.400 -0.006 0.000 0.805 343 E CB -0.031 29.588 29.700 -0.135 0.000 0.744 343 E HN 0.463 nan 8.360 nan 0.000 0.451 344 E N 0.616 120.873 120.200 0.096 0.000 2.331 344 E HA -0.170 4.193 4.350 0.023 0.000 0.199 344 E C 0.731 177.390 176.600 0.098 0.000 1.008 344 E CA 1.214 57.673 56.400 0.099 0.000 0.843 344 E CB -0.009 29.728 29.700 0.062 0.000 0.761 344 E HN 0.270 nan 8.360 nan 0.000 0.507 345 D N -0.188 120.274 120.400 0.104 0.000 2.368 345 D HA -0.003 4.651 4.640 0.023 0.000 0.218 345 D C 1.082 177.410 176.300 0.048 0.000 1.112 345 D CA 0.030 54.064 54.000 0.058 0.000 0.834 345 D CB 0.036 40.880 40.800 0.074 0.000 0.953 345 D HN 0.259 nan 8.370 nan 0.000 0.505 346 E N -0.275 119.908 120.200 -0.027 0.000 2.171 346 E HA -0.181 4.183 4.350 0.023 0.000 0.197 346 E C 0.379 176.669 176.600 -0.515 0.000 0.997 346 E CA 1.033 57.199 56.400 -0.391 0.000 0.810 346 E CB 0.061 29.314 29.700 -0.745 0.000 0.738 346 E HN 0.278 nan 8.360 nan 0.000 0.467 347 F N -0.688 119.268 119.950 0.010 0.000 2.668 347 F HA 0.280 4.821 4.527 0.023 0.000 0.301 347 F C 1.129 176.859 175.800 -0.117 0.000 1.106 347 F CA -0.346 57.633 58.000 -0.035 0.000 1.289 347 F CB 0.718 39.706 39.000 -0.020 0.000 1.006 347 F HN -0.204 nan 8.300 nan 0.000 0.535 348 K N 0.148 120.455 120.400 -0.154 0.000 2.417 348 K HA 0.173 4.507 4.320 0.023 0.000 0.196 348 K C -0.445 175.747 176.600 -0.679 0.000 1.023 348 K CA 0.253 56.288 56.287 -0.420 0.000 1.122 348 K CB 0.237 32.415 32.500 -0.538 0.000 0.850 348 K HN 0.125 nan 8.250 nan 0.000 0.521 349 F N -0.085 119.710 119.950 -0.259 0.000 2.541 349 F HA 0.193 4.734 4.527 0.023 0.000 0.331 349 F C 1.153 176.746 175.800 -0.344 0.000 1.057 349 F CA -1.137 56.604 58.000 -0.432 0.000 0.975 349 F CB 0.863 39.231 39.000 -1.054 0.000 1.246 349 F HN -0.206 nan 8.300 nan 0.000 0.484 350 D N 0.497 120.897 120.400 -0.000 0.000 2.348 350 D HA -0.010 4.644 4.640 0.023 0.000 0.216 350 D C -0.185 176.192 176.300 0.128 0.000 0.970 350 D CA 1.043 55.103 54.000 0.100 0.000 0.889 350 D CB -0.198 40.738 40.800 0.226 0.000 0.912 350 D HN 0.266 nan 8.370 nan 0.000 0.524 351 F N -1.046 118.982 119.950 0.130 0.000 2.598 351 F HA 0.477 5.017 4.527 0.023 0.000 0.327 351 F C -0.087 175.699 175.800 -0.024 0.000 1.057 351 F CA -1.625 56.374 58.000 -0.003 0.000 0.957 351 F CB 0.873 39.829 39.000 -0.074 0.000 1.278 351 F HN -0.403 nan 8.300 nan 0.000 0.484 352 D N 1.987 122.390 120.400 0.006 0.000 2.312 352 D HA 0.169 4.823 4.640 0.023 0.000 0.252 352 D C 1.046 177.286 176.300 -0.100 0.000 1.150 352 D CA 0.001 53.955 54.000 -0.077 0.000 0.870 352 D CB 1.398 42.159 40.800 -0.065 0.000 1.153 352 D HN 0.763 nan 8.370 nan 0.000 0.457 353 L N 3.457 124.557 121.223 -0.205 0.000 2.261 353 L HA -0.148 4.206 4.340 0.023 0.000 0.216 353 L C 1.913 178.652 176.870 -0.219 0.000 1.114 353 L CA 0.760 55.459 54.840 -0.234 0.000 0.777 353 L CB -0.063 41.709 42.059 -0.479 0.000 0.910 353 L HN 0.468 nan 8.230 nan 0.000 0.440 354 L N -1.147 119.966 121.223 -0.185 0.000 2.592 354 L HA 0.084 4.438 4.340 0.023 0.000 0.227 354 L C 0.420 177.212 176.870 -0.130 0.000 1.127 354 L CA -0.208 54.583 54.840 -0.082 0.000 0.884 354 L CB -0.164 41.946 42.059 0.085 0.000 1.065 354 L HN 0.061 nan 8.230 nan 0.000 0.457 355 D N 2.050 122.148 120.400 -0.504 0.000 2.339 355 D HA 0.102 4.756 4.640 0.023 0.000 0.241 355 D C -1.538 174.548 176.300 -0.356 0.000 1.183 355 D CA -2.161 51.306 54.000 -0.887 0.000 0.859 355 D CB 1.540 41.637 40.800 -1.171 0.000 1.067 355 D HN -0.043 nan 8.370 nan 0.000 0.484 356 P HA -0.034 nan 4.420 nan 0.000 0.245 356 P C 0.781 177.987 177.300 -0.157 0.000 1.212 356 P CA 0.547 63.586 63.100 -0.102 0.000 0.774 356 P CB -0.031 31.706 31.700 0.061 0.000 0.999 357 T N -4.421 110.032 114.554 -0.169 0.000 3.107 357 T HA 0.173 4.537 4.350 0.023 0.000 0.249 357 T C 0.701 175.312 174.700 -0.148 0.000 1.096 357 T CA -0.151 61.859 62.100 -0.150 0.000 1.012 357 T CB -0.179 68.648 68.868 -0.069 0.000 0.977 357 T HN -0.146 nan 8.240 nan 0.000 0.527 358 K N 2.178 122.402 120.400 -0.292 0.000 2.244 358 K HA 0.561 4.895 4.320 0.023 0.000 0.260 358 K C -0.314 176.107 176.600 -0.298 0.000 0.951 358 K CA -0.866 55.125 56.287 -0.494 0.000 0.826 358 K CB 2.176 34.274 32.500 -0.670 0.000 1.108 358 K HN 0.295 nan 8.250 nan 0.000 0.433 359 L N -0.164 121.031 121.223 -0.046 0.000 2.387 359 L HA 0.633 4.987 4.340 0.023 0.000 0.266 359 L C 0.044 176.704 176.870 -0.351 0.000 1.059 359 L CA -0.413 54.329 54.840 -0.163 0.000 0.801 359 L CB 0.276 42.311 42.059 -0.039 0.000 1.223 359 L HN 0.441 nan 8.230 nan 0.000 0.456 360 I N 1.566 122.026 120.570 -0.183 0.000 2.306 360 I HA 0.347 4.530 4.170 0.023 0.000 0.288 360 I C -2.120 174.006 176.117 0.014 0.000 1.036 360 I CA -1.640 59.605 61.300 -0.092 0.000 1.221 360 I CB 0.997 38.976 38.000 -0.034 0.000 1.385 360 I HN 0.450 nan 8.210 nan 0.000 0.472 361 P HA 0.053 nan 4.420 nan 0.000 0.267 361 P C 0.360 177.727 177.300 0.110 0.000 1.205 361 P CA -0.011 63.133 63.100 0.074 0.000 0.765 361 P CB 0.596 32.334 31.700 0.063 0.000 0.828 362 E N 1.916 122.189 120.200 0.121 0.000 2.209 362 E HA -0.216 4.147 4.350 0.023 0.000 0.196 362 E C 1.351 178.006 176.600 0.091 0.000 0.993 362 E CA 0.863 57.324 56.400 0.101 0.000 0.819 362 E CB -0.027 29.734 29.700 0.101 0.000 0.745 362 E HN 0.532 nan 8.360 nan 0.000 0.477 363 E N 0.351 120.605 120.200 0.091 0.000 2.204 363 E HA -0.136 4.228 4.350 0.023 0.000 0.195 363 E C 2.061 178.725 176.600 0.106 0.000 0.990 363 E CA 0.743 57.193 56.400 0.083 0.000 0.821 363 E CB 0.085 29.827 29.700 0.069 0.000 0.750 363 E HN 0.378 nan 8.360 nan 0.000 0.477 364 L N -0.397 120.912 121.223 0.144 0.000 2.253 364 L HA 0.060 4.414 4.340 0.023 0.000 0.205 364 L C 0.622 177.616 176.870 0.207 0.000 1.078 364 L CA 0.397 55.361 54.840 0.207 0.000 0.805 364 L CB 0.514 42.768 42.059 0.326 0.000 0.963 364 L HN -0.207 nan 8.230 nan 0.000 0.459 365 V N 0.979 120.991 119.914 0.164 0.000 2.445 365 V HA 0.309 4.443 4.120 0.023 0.000 0.283 365 V C -2.443 173.702 176.094 0.085 0.000 1.014 365 V CA -1.363 61.020 62.300 0.137 0.000 0.852 365 V CB 1.497 33.395 31.823 0.126 0.000 1.021 365 V HN -0.047 nan 8.190 nan 0.000 0.435 366 P HA 0.219 nan 4.420 nan 0.000 0.274 366 P C -0.338 176.964 177.300 0.004 0.000 1.237 366 P CA -0.148 62.975 63.100 0.037 0.000 0.793 366 P CB 0.794 32.519 31.700 0.041 0.000 0.977 367 V N 2.374 122.257 119.914 -0.052 0.000 2.455 367 V HA 0.123 4.257 4.120 0.023 0.000 0.273 367 V C 0.627 176.712 176.094 -0.014 0.000 1.045 367 V CA 0.028 62.266 62.300 -0.103 0.000 0.976 367 V CB 0.205 31.877 31.823 -0.252 0.000 0.993 367 V HN 0.515 nan 8.190 nan 0.000 0.475 368 Q N 5.404 125.219 119.800 0.024 0.000 2.274 368 Q HA 0.393 4.746 4.340 0.023 0.000 0.256 368 Q C -0.150 175.848 176.000 -0.004 0.000 0.927 368 Q CA -0.750 55.069 55.803 0.027 0.000 0.939 368 Q CB 0.861 29.631 28.738 0.054 0.000 1.201 368 Q HN 0.677 nan 8.270 nan 0.000 0.426 369 R N 2.240 122.760 120.500 0.033 0.000 2.537 369 R HA 0.087 4.441 4.340 0.023 0.000 0.280 369 R C 0.280 176.623 176.300 0.072 0.000 1.058 369 R CA -0.179 55.983 56.100 0.103 0.000 1.057 369 R CB 0.790 31.202 30.300 0.187 0.000 0.973 369 R HN 0.521 nan 8.270 nan 0.000 0.438 370 V N 0.747 120.634 119.914 -0.044 0.000 3.250 370 V HA 0.355 4.489 4.120 0.023 0.000 0.240 370 V C 0.683 176.568 176.094 -0.348 0.000 1.275 370 V CA 1.003 63.153 62.300 -0.249 0.000 1.206 370 V CB 1.056 32.440 31.823 -0.732 0.000 0.976 370 V HN 1.016 nan 8.190 nan 0.000 0.467 371 G N -0.212 108.279 108.800 -0.516 0.000 2.342 371 G HA2 0.461 4.435 3.960 0.023 0.000 0.297 371 G HA3 0.461 4.435 3.960 0.023 0.000 0.297 371 G C -1.881 172.700 174.900 -0.532 0.000 1.313 371 G CA -0.528 43.914 45.100 -1.097 0.000 0.830 371 G HN 0.055 nan 8.290 nan 0.000 0.506 372 K N -0.364 119.705 120.400 -0.551 0.000 2.378 372 K HA 0.724 5.058 4.320 0.023 0.000 0.252 372 K C -0.851 175.785 176.600 0.060 0.000 0.931 372 K CA -0.796 55.469 56.287 -0.036 0.000 0.794 372 K CB 1.993 34.517 32.500 0.039 0.000 1.181 372 K HN 0.606 nan 8.250 nan 0.000 0.425 373 M N 4.699 124.477 119.600 0.297 0.000 2.311 373 M HA 0.405 4.899 4.480 0.023 0.000 0.325 373 M C -1.750 174.532 176.300 -0.031 0.000 1.061 373 M CA -0.755 54.649 55.300 0.173 0.000 0.957 373 M CB 1.683 34.427 32.600 0.240 0.000 1.646 373 M HN 0.348 nan 8.290 nan 0.000 0.434 374 V N 5.692 125.416 119.914 -0.315 0.000 2.487 374 V HA 0.469 4.603 4.120 0.023 0.000 0.298 374 V C -0.962 174.993 176.094 -0.232 0.000 1.028 374 V CA -0.857 61.274 62.300 -0.283 0.000 0.860 374 V CB 1.739 33.281 31.823 -0.468 0.000 0.991 374 V HN 0.661 nan 8.190 nan 0.000 0.427 375 L N 5.806 126.981 121.223 -0.080 0.000 2.262 375 L HA 0.514 4.868 4.340 0.023 0.000 0.288 375 L C 0.622 177.402 176.870 -0.150 0.000 1.035 375 L CA 0.107 54.902 54.840 -0.074 0.000 0.820 375 L CB 1.083 43.151 42.059 0.014 0.000 1.204 375 L HN 0.903 nan 8.230 nan 0.000 0.424 376 N N 2.205 120.733 118.700 -0.287 0.000 2.160 376 N HA 0.148 4.901 4.740 0.023 0.000 0.226 376 N C 0.077 175.388 175.510 -0.333 0.000 1.256 376 N CA -0.258 52.355 53.050 -0.729 0.000 0.890 376 N CB 0.824 38.551 38.487 -1.266 0.000 1.116 376 N HN 0.421 nan 8.380 nan 0.000 0.517 377 R N 0.185 120.608 120.500 -0.129 0.000 2.535 377 R HA 0.317 4.671 4.340 0.023 0.000 0.274 377 R C -1.291 174.964 176.300 -0.076 0.000 1.090 377 R CA -0.566 55.481 56.100 -0.088 0.000 0.930 377 R CB 1.297 31.554 30.300 -0.072 0.000 1.223 377 R HN 0.041 nan 8.270 nan 0.000 0.441 378 N N 3.118 121.656 118.700 -0.270 0.000 2.467 378 N HA 0.290 5.044 4.740 0.023 0.000 0.262 378 N C -2.294 173.155 175.510 -0.102 0.000 1.234 378 N CA -1.250 51.493 53.050 -0.510 0.000 0.952 378 N CB 0.585 38.127 38.487 -1.573 0.000 1.158 378 N HN 0.319 nan 8.380 nan 0.000 0.463 379 P HA 0.088 nan 4.420 nan 0.000 0.272 379 P C 0.156 177.651 177.300 0.326 0.000 1.254 379 P CA -0.069 63.233 63.100 0.336 0.000 0.795 379 P CB 0.980 32.934 31.700 0.423 0.000 1.022 380 D N -1.063 119.500 120.400 0.271 0.000 2.197 380 D HA -0.024 4.630 4.640 0.023 0.000 0.212 380 D C 0.467 176.948 176.300 0.302 0.000 0.963 380 D CA 1.356 55.512 54.000 0.260 0.000 0.864 380 D CB 0.138 41.031 40.800 0.154 0.000 1.009 380 D HN 0.379 nan 8.370 nan 0.000 0.479 381 N N -0.146 118.721 118.700 0.279 0.000 2.448 381 N HA 0.017 4.771 4.740 0.023 0.000 0.279 381 N C 0.086 175.804 175.510 0.346 0.000 1.025 381 N CA -0.330 52.896 53.050 0.293 0.000 0.898 381 N CB 1.590 40.217 38.487 0.233 0.000 1.303 381 N HN -0.152 nan 8.380 nan 0.000 0.495 382 F N 4.366 124.470 119.950 0.256 0.000 2.095 382 F HA -0.192 4.349 4.527 0.022 0.000 0.298 382 F C 1.677 177.607 175.800 0.216 0.000 1.104 382 F CA 1.547 59.699 58.000 0.252 0.000 1.232 382 F CB -0.115 39.005 39.000 0.201 0.000 0.987 382 F HN 0.605 nan 8.300 nan 0.000 0.475 383 F N 0.775 120.967 119.950 0.404 0.000 2.102 383 F HA -0.145 4.396 4.527 0.024 0.000 0.298 383 F C 2.296 178.161 175.800 0.109 0.000 1.105 383 F CA 1.791 59.947 58.000 0.260 0.000 1.239 383 F CB -0.904 38.217 39.000 0.201 0.000 0.991 383 F HN -0.001 nan 8.300 nan 0.000 0.474 384 A N -0.334 122.623 122.820 0.227 0.000 1.898 384 A HA -0.140 4.194 4.320 0.023 0.000 0.216 384 A C 2.089 179.617 177.584 -0.093 0.000 1.181 384 A CA 1.914 54.002 52.037 0.084 0.000 0.620 384 A CB -0.665 18.434 19.000 0.166 0.000 0.819 384 A HN 0.573 nan 8.150 nan 0.000 0.442 385 E N -1.219 118.940 120.200 -0.069 0.000 2.127 385 E HA -0.068 4.296 4.350 0.023 0.000 0.191 385 E C 1.956 178.473 176.600 -0.139 0.000 0.964 385 E CA 0.531 56.820 56.400 -0.185 0.000 0.832 385 E CB -0.097 29.548 29.700 -0.091 0.000 0.790 385 E HN 0.576 nan 8.360 nan 0.000 0.465 386 N N 1.254 119.874 118.700 -0.134 0.000 2.245 386 N HA -0.153 4.601 4.740 0.023 0.000 0.185 386 N C 1.820 177.165 175.510 -0.275 0.000 1.036 386 N CA 1.294 54.221 53.050 -0.206 0.000 0.857 386 N CB 0.124 38.096 38.487 -0.859 0.000 1.015 386 N HN -0.055 nan 8.380 nan 0.000 0.436 387 E N 0.818 120.776 120.200 -0.404 0.000 2.110 387 E HA -0.082 4.282 4.350 0.023 0.000 0.193 387 E C 1.651 178.060 176.600 -0.319 0.000 0.988 387 E CA 1.437 57.661 56.400 -0.293 0.000 0.804 387 E CB -0.139 29.384 29.700 -0.295 0.000 0.745 387 E HN 0.483 nan 8.360 nan 0.000 0.458 388 Q N -0.211 119.337 119.800 -0.421 0.000 2.451 388 Q HA 0.241 4.595 4.340 0.023 0.000 0.206 388 Q C 0.035 175.929 176.000 -0.176 0.000 0.947 388 Q CA 0.224 55.841 55.803 -0.311 0.000 0.937 388 Q CB 0.428 28.973 28.738 -0.322 0.000 1.025 388 Q HN 0.225 nan 8.270 nan 0.000 0.511 389 A N 1.198 123.938 122.820 -0.133 0.000 2.511 389 A HA 0.436 4.770 4.320 0.023 0.000 0.242 389 A C -0.117 177.393 177.584 -0.124 0.000 1.069 389 A CA 0.167 52.116 52.037 -0.147 0.000 0.763 389 A CB 0.229 19.230 19.000 0.001 0.000 1.001 389 A HN 0.277 nan 8.150 nan 0.000 0.498 390 A N 2.528 125.220 122.820 -0.214 0.000 2.291 390 A HA 0.699 5.033 4.320 0.023 0.000 0.311 390 A C -0.720 176.770 177.584 -0.156 0.000 1.224 390 A CA -0.410 51.563 52.037 -0.108 0.000 0.821 390 A CB 0.193 19.124 19.000 -0.115 0.000 1.172 390 A HN 0.648 nan 8.150 nan 0.000 0.494 391 F N 1.004 120.963 119.950 0.016 0.000 2.450 391 F HA 0.635 5.176 4.527 0.023 0.000 0.332 391 F C 0.331 176.108 175.800 -0.038 0.000 1.093 391 F CA -0.106 57.881 58.000 -0.023 0.000 1.003 391 F CB 1.996 40.926 39.000 -0.116 0.000 1.151 391 F HN 0.758 nan 8.300 nan 0.000 0.474 392 H N 3.322 122.259 119.070 -0.221 0.000 3.099 392 H HA 0.266 4.837 4.556 0.024 0.000 0.342 392 H C -2.463 172.494 175.328 -0.619 0.000 1.054 392 H CA -1.698 53.969 56.048 -0.635 0.000 1.328 392 H CB 2.653 31.989 29.762 -0.710 0.000 1.876 392 H HN 0.178 nan 8.280 nan 0.000 0.495 393 P HA -0.014 nan 4.420 nan 0.000 0.230 393 P C 1.176 178.371 177.300 -0.176 0.000 1.158 393 P CA 1.317 64.121 63.100 -0.493 0.000 0.769 393 P CB 0.127 31.580 31.700 -0.412 0.000 0.807 394 G N -0.964 107.535 108.800 -0.502 0.000 2.598 394 G HA2 -0.157 3.817 3.960 0.023 0.000 0.215 394 G HA3 -0.157 3.817 3.960 0.023 0.000 0.215 394 G C 0.492 175.634 174.900 0.402 0.000 1.131 394 G CA -0.021 45.171 45.100 0.153 0.000 0.785 394 G HN 0.432 nan 8.290 nan 0.000 0.539 395 H N 0.832 120.046 119.070 0.241 0.000 3.356 395 H HA 0.304 4.873 4.556 0.023 0.000 0.260 395 H C 0.640 176.079 175.328 0.185 0.000 1.570 395 H CA -0.728 55.417 56.048 0.163 0.000 1.547 395 H CB -0.217 29.604 29.762 0.099 0.000 1.774 395 H HN 0.398 nan 8.280 nan 0.000 0.542 396 I N -0.481 120.215 120.570 0.209 0.000 3.449 396 I HA 0.697 4.881 4.170 0.023 0.000 0.294 396 I C -0.153 175.943 176.117 -0.035 0.000 1.163 396 I CA -1.408 59.934 61.300 0.069 0.000 1.010 396 I CB 1.843 39.763 38.000 -0.132 0.000 1.307 396 I HN 0.101 nan 8.210 nan 0.000 0.518 397 V N -2.877 116.997 119.914 -0.066 0.000 3.130 397 V HA 0.669 4.803 4.120 0.023 0.000 0.310 397 V C -2.897 173.291 176.094 0.156 0.000 1.158 397 V CA -2.451 59.875 62.300 0.043 0.000 1.029 397 V CB 1.046 32.877 31.823 0.013 0.000 1.057 397 V HN 0.616 nan 8.190 nan 0.000 0.436 398 P HA 0.408 nan 4.420 nan 0.000 0.265 398 P C 0.893 178.191 177.300 -0.004 0.000 1.193 398 P CA 1.972 65.147 63.100 0.125 0.000 0.765 398 P CB 0.827 32.573 31.700 0.076 0.000 0.823 399 G N 1.420 110.172 108.800 -0.081 0.000 2.195 399 G HA2 -0.165 3.809 3.960 0.023 0.000 0.224 399 G HA3 -0.165 3.809 3.960 0.023 0.000 0.224 399 G C -0.221 174.587 174.900 -0.153 0.000 0.990 399 G CA -0.398 44.632 45.100 -0.117 0.000 0.639 399 G HN 0.437 nan 8.290 nan 0.000 0.514 400 L N -0.147 120.998 121.223 -0.131 0.000 2.301 400 L HA 0.927 5.281 4.340 0.023 0.000 0.264 400 L C -0.442 176.363 176.870 -0.108 0.000 1.016 400 L CA -1.065 53.675 54.840 -0.168 0.000 0.821 400 L CB 2.109 43.992 42.059 -0.293 0.000 1.346 400 L HN 0.111 nan 8.230 nan 0.000 0.429 401 D N -0.768 119.551 120.400 -0.136 0.000 2.692 401 D HA 0.431 5.085 4.640 0.023 0.000 0.290 401 D C -1.353 174.862 176.300 -0.142 0.000 1.281 401 D CA -0.359 53.519 54.000 -0.203 0.000 0.804 401 D CB 1.824 42.589 40.800 -0.059 0.000 1.331 401 D HN 0.121 nan 8.370 nan 0.000 0.432 402 F N -0.116 119.957 119.950 0.204 0.000 2.364 402 F HA 0.529 5.070 4.527 0.023 0.000 0.316 402 F C 1.487 177.310 175.800 0.039 0.000 1.133 402 F CA -0.281 57.769 58.000 0.084 0.000 1.051 402 F CB 1.218 40.242 39.000 0.039 0.000 1.342 402 F HN 0.190 nan 8.300 nan 0.000 0.507 403 T N -3.161 111.492 114.554 0.165 0.000 2.858 403 T HA 0.307 4.671 4.350 0.023 0.000 0.285 403 T C 0.029 174.770 174.700 0.068 0.000 1.052 403 T CA -0.992 61.190 62.100 0.137 0.000 1.009 403 T CB 1.128 70.050 68.868 0.090 0.000 1.241 403 T HN 0.357 nan 8.240 nan 0.000 0.542 404 N N 1.171 119.917 118.700 0.077 0.000 2.434 404 N HA 0.048 4.802 4.740 0.023 0.000 0.196 404 N C 0.061 175.586 175.510 0.024 0.000 1.183 404 N CA 0.084 53.160 53.050 0.043 0.000 0.849 404 N CB -0.494 38.035 38.487 0.069 0.000 0.992 404 N HN 0.682 nan 8.380 nan 0.000 0.460 405 D N 2.244 122.642 120.400 -0.004 0.000 2.662 405 D HA -0.085 4.569 4.640 0.023 0.000 0.237 405 D C -1.393 174.903 176.300 -0.006 0.000 1.154 405 D CA -0.816 53.200 54.000 0.025 0.000 0.861 405 D CB 1.218 41.964 40.800 -0.091 0.000 1.146 405 D HN 0.166 nan 8.370 nan 0.000 0.518 406 P HA -0.076 nan 4.420 nan 0.000 0.241 406 P C 1.487 178.802 177.300 0.025 0.000 1.191 406 P CA -0.006 63.109 63.100 0.026 0.000 0.771 406 P CB 0.490 32.197 31.700 0.011 0.000 0.929 407 L N -0.004 121.250 121.223 0.052 0.000 2.034 407 L HA -0.006 4.348 4.340 0.023 0.000 0.203 407 L C 2.418 179.190 176.870 -0.163 0.000 1.074 407 L CA 1.280 56.141 54.840 0.035 0.000 0.748 407 L CB -1.641 40.534 42.059 0.194 0.000 0.905 407 L HN -0.166 nan 8.230 nan 0.000 0.439 408 L N -0.364 120.588 121.223 -0.452 0.000 2.013 408 L HA -0.272 4.082 4.340 0.023 0.000 0.212 408 L C 2.484 179.105 176.870 -0.415 0.000 1.073 408 L CA 1.890 56.282 54.840 -0.747 0.000 0.753 408 L CB -0.973 40.418 42.059 -1.113 0.000 0.890 408 L HN 0.405 nan 8.230 nan 0.000 0.432 409 Q N -0.242 119.385 119.800 -0.288 0.000 2.077 409 Q HA -0.178 4.176 4.340 0.023 0.000 0.206 409 Q C 2.107 178.023 176.000 -0.140 0.000 0.989 409 Q CA 1.903 57.578 55.803 -0.213 0.000 0.853 409 Q CB -0.863 27.801 28.738 -0.123 0.000 0.907 409 Q HN 0.721 nan 8.270 nan 0.000 0.418 410 G N 0.367 109.116 108.800 -0.086 0.000 2.464 410 G HA2 -0.180 3.794 3.960 0.023 0.000 0.217 410 G HA3 -0.180 3.794 3.960 0.023 0.000 0.217 410 G C 1.490 176.400 174.900 0.016 0.000 1.138 410 G CA 0.094 45.189 45.100 -0.008 0.000 0.793 410 G HN 0.244 nan 8.290 nan 0.000 0.539 411 R N 0.047 120.506 120.500 -0.069 0.000 2.103 411 R HA -0.023 4.331 4.340 0.023 0.000 0.242 411 R C 2.458 178.830 176.300 0.120 0.000 1.142 411 R CA 1.071 57.182 56.100 0.019 0.000 0.960 411 R CB -0.577 29.705 30.300 -0.030 0.000 0.858 411 R HN 0.325 nan 8.270 nan 0.000 0.439 412 L N -0.267 120.923 121.223 -0.054 0.000 2.129 412 L HA -0.231 4.123 4.340 0.023 0.000 0.212 412 L C 2.331 179.340 176.870 0.232 0.000 1.087 412 L CA 1.269 56.104 54.840 -0.008 0.000 0.757 412 L CB -0.472 41.440 42.059 -0.246 0.000 0.896 412 L HN 0.183 nan 8.230 nan 0.000 0.434 413 F N 0.035 120.020 119.950 0.059 0.000 2.187 413 F HA -0.158 4.383 4.527 0.023 0.000 0.295 413 F C 2.801 178.641 175.800 0.067 0.000 1.091 413 F CA 1.457 59.486 58.000 0.048 0.000 1.308 413 F CB -0.231 38.776 39.000 0.011 0.000 1.030 413 F HN -0.052 nan 8.300 nan 0.000 0.487 414 S N -0.652 115.086 115.700 0.064 0.000 2.368 414 S HA -0.231 4.253 4.470 0.023 0.000 0.225 414 S C 2.033 176.514 174.600 -0.198 0.000 1.030 414 S CA 1.557 59.678 58.200 -0.131 0.000 0.999 414 S CB -0.805 62.329 63.200 -0.111 0.000 0.844 414 S HN 0.543 nan 8.310 nan 0.000 0.459 415 Y N 1.454 121.773 120.300 0.032 0.000 2.373 415 Y HA 0.012 4.576 4.550 0.023 0.000 0.293 415 Y C 2.891 178.483 175.900 -0.514 0.000 1.129 415 Y CA 1.272 59.401 58.100 0.048 0.000 1.226 415 Y CB -0.550 38.833 38.460 1.537 0.000 1.000 415 Y HN 0.278 nan 8.280 nan 0.000 0.549 416 T N -0.674 113.508 114.554 -0.620 0.000 2.770 416 T HA -0.177 4.187 4.350 0.023 0.000 0.263 416 T C 1.444 175.938 174.700 -0.343 0.000 1.039 416 T CA 1.589 63.422 62.100 -0.444 0.000 1.142 416 T CB -0.387 68.283 68.868 -0.330 0.000 0.868 416 T HN 0.327 nan 8.240 nan 0.000 0.435 417 D N 0.805 120.946 120.400 -0.431 0.000 2.104 417 D HA -0.123 4.531 4.640 0.023 0.000 0.194 417 D C 2.282 178.426 176.300 -0.260 0.000 0.994 417 D CA 1.596 55.360 54.000 -0.393 0.000 0.830 417 D CB -0.531 39.862 40.800 -0.679 0.000 0.959 417 D HN 0.248 nan 8.370 nan 0.000 0.452 418 T N -1.013 113.379 114.554 -0.269 0.000 2.881 418 T HA -0.132 4.232 4.350 0.023 0.000 0.270 418 T C 1.633 176.205 174.700 -0.213 0.000 1.068 418 T CA 1.172 63.152 62.100 -0.199 0.000 1.131 418 T CB -0.203 68.549 68.868 -0.193 0.000 0.871 418 T HN 0.148 nan 8.240 nan 0.000 0.479 419 Q N 0.668 120.264 119.800 -0.340 0.000 2.291 419 Q HA 0.007 4.361 4.340 0.023 0.000 0.205 419 Q C 2.269 178.137 176.000 -0.221 0.000 0.970 419 Q CA 0.658 56.200 55.803 -0.435 0.000 0.876 419 Q CB -0.423 27.626 28.738 -1.148 0.000 0.935 419 Q HN 0.518 nan 8.270 nan 0.000 0.455 420 I N 1.123 121.619 120.570 -0.124 0.000 2.264 420 I HA -0.230 3.954 4.170 0.023 0.000 0.248 420 I C 2.328 178.441 176.117 -0.008 0.000 1.111 420 I CA 1.810 63.105 61.300 -0.008 0.000 1.382 420 I CB -1.430 36.574 38.000 0.007 0.000 1.060 420 I HN 0.199 nan 8.210 nan 0.000 0.418 421 S N 0.388 116.070 115.700 -0.030 0.000 2.404 421 S HA -0.073 4.410 4.470 0.023 0.000 0.223 421 S C 2.163 176.752 174.600 -0.017 0.000 1.040 421 S CA 0.207 58.400 58.200 -0.012 0.000 0.957 421 S CB -0.358 62.838 63.200 -0.006 0.000 0.826 421 S HN 0.315 nan 8.310 nan 0.000 0.491 422 R N 1.033 121.505 120.500 -0.048 0.000 2.073 422 R HA 0.139 4.493 4.340 0.023 0.000 0.234 422 R C 1.346 177.627 176.300 -0.033 0.000 1.134 422 R CA 1.497 57.572 56.100 -0.043 0.000 0.952 422 R CB -0.284 29.969 30.300 -0.078 0.000 0.850 422 R HN 0.451 nan 8.270 nan 0.000 0.433 423 L N -0.500 120.691 121.223 -0.052 0.000 2.818 423 L HA 0.333 4.687 4.340 0.023 0.000 0.243 423 L C 0.806 177.693 176.870 0.029 0.000 1.185 423 L CA 0.241 55.071 54.840 -0.016 0.000 0.988 423 L CB 1.067 43.112 42.059 -0.024 0.000 1.292 423 L HN 0.594 nan 8.230 nan 0.000 0.519 424 G N 0.037 108.852 108.800 0.025 0.000 2.168 424 G HA2 -0.146 3.828 3.960 0.023 0.000 0.263 424 G HA3 -0.146 3.828 3.960 0.023 0.000 0.263 424 G C 0.483 175.421 174.900 0.064 0.000 0.977 424 G CA 0.159 45.281 45.100 0.037 0.000 0.659 424 G HN 0.796 nan 8.290 nan 0.000 0.533 425 G N -1.715 107.147 108.800 0.103 0.000 2.352 425 G HA2 0.583 4.556 3.960 0.023 0.000 0.283 425 G HA3 0.583 4.556 3.960 0.023 0.000 0.283 425 G C -2.369 172.665 174.900 0.224 0.000 1.308 425 G CA 0.365 45.541 45.100 0.127 0.000 0.892 425 G HN 0.494 nan 8.290 nan 0.000 0.504 426 P HA 0.168 nan 4.420 nan 0.000 0.257 426 P C 0.149 177.462 177.300 0.021 0.000 1.281 426 P CA 0.192 63.396 63.100 0.174 0.000 0.826 426 P CB 0.205 31.966 31.700 0.101 0.000 1.237 427 N N 0.542 119.255 118.700 0.023 0.000 2.327 427 N HA 0.063 4.817 4.740 0.023 0.000 0.231 427 N C 0.996 176.349 175.510 -0.261 0.000 1.130 427 N CA -0.156 52.806 53.050 -0.147 0.000 0.845 427 N CB -0.585 37.852 38.487 -0.084 0.000 1.073 427 N HN 0.277 nan 8.380 nan 0.000 0.496 428 F N 0.551 120.478 119.950 -0.038 0.000 2.451 428 F HA -0.049 4.491 4.527 0.022 0.000 0.299 428 F C 2.162 177.891 175.800 -0.118 0.000 1.101 428 F CA 0.688 58.641 58.000 -0.078 0.000 1.436 428 F CB -0.688 38.287 39.000 -0.040 0.000 1.074 428 F HN 0.171 nan 8.300 nan 0.000 0.553 429 H N 0.276 118.982 119.070 -0.607 0.000 2.555 429 H HA 0.121 4.691 4.556 0.024 0.000 0.269 429 H C 0.808 175.968 175.328 -0.280 0.000 0.988 429 H CA 1.133 56.920 56.048 -0.436 0.000 1.178 429 H CB -0.679 28.685 29.762 -0.663 0.000 1.373 429 H HN 0.519 nan 8.280 nan 0.000 0.588 430 E N 1.036 120.778 120.200 -0.764 0.000 2.474 430 E HA 0.174 4.538 4.350 0.023 0.000 0.194 430 E C 0.367 176.853 176.600 -0.190 0.000 1.041 430 E CA -0.259 55.877 56.400 -0.439 0.000 0.874 430 E CB 0.555 30.011 29.700 -0.407 0.000 0.914 430 E HN 0.438 nan 8.360 nan 0.000 0.498 431 I N 2.544 123.028 120.570 -0.144 0.000 2.618 431 I HA -0.047 4.136 4.170 0.023 0.000 0.284 431 I C -1.599 174.463 176.117 -0.092 0.000 1.146 431 I CA -1.348 59.902 61.300 -0.083 0.000 1.425 431 I CB 0.548 38.512 38.000 -0.060 0.000 1.383 431 I HN -0.209 nan 8.210 nan 0.000 0.562 432 P HA -0.204 nan 4.420 nan 0.000 0.215 432 P C 1.738 178.964 177.300 -0.124 0.000 1.153 432 P CA 1.111 64.156 63.100 -0.091 0.000 0.853 432 P CB 0.195 31.850 31.700 -0.074 0.000 0.788 433 I N -0.555 119.915 120.570 -0.165 0.000 2.361 433 I HA -0.200 3.984 4.170 0.023 0.000 0.251 433 I C 1.360 177.399 176.117 -0.130 0.000 1.133 433 I CA 1.707 62.857 61.300 -0.249 0.000 1.413 433 I CB -0.579 37.155 38.000 -0.444 0.000 1.073 433 I HN -0.114 nan 8.210 nan 0.000 0.424 434 N N 0.840 119.480 118.700 -0.100 0.000 2.446 434 N HA -0.001 4.753 4.740 0.023 0.000 0.179 434 N C 0.316 175.829 175.510 0.003 0.000 1.054 434 N CA 0.279 53.300 53.050 -0.047 0.000 0.905 434 N CB -0.207 38.270 38.487 -0.017 0.000 0.973 434 N HN 0.402 nan 8.380 nan 0.000 0.448 435 R N 1.553 122.044 120.500 -0.015 0.000 2.570 435 R HA 0.131 4.485 4.340 0.023 0.000 0.277 435 R C -2.232 174.108 176.300 0.067 0.000 1.039 435 R CA -1.133 54.956 56.100 -0.019 0.000 1.065 435 R CB -0.235 30.041 30.300 -0.039 0.000 0.964 435 R HN 0.025 nan 8.270 nan 0.000 0.428 436 P HA -0.029 nan 4.420 nan 0.000 0.269 436 P C 0.583 177.941 177.300 0.097 0.000 1.215 436 P CA 0.132 63.294 63.100 0.104 0.000 0.780 436 P CB 0.699 32.426 31.700 0.044 0.000 0.898 437 T N -2.512 112.110 114.554 0.113 0.000 3.065 437 T HA 0.056 4.420 4.350 0.023 0.000 0.252 437 T C 0.893 175.633 174.700 0.067 0.000 1.099 437 T CA 0.018 62.145 62.100 0.045 0.000 1.063 437 T CB -1.001 67.872 68.868 0.008 0.000 0.948 437 T HN 0.559 nan 8.240 nan 0.000 0.506 438 C N 0.996 120.352 119.300 0.095 0.000 2.345 438 C HA 0.785 5.259 4.460 0.023 0.000 0.369 438 C C -2.488 172.565 174.990 0.104 0.000 1.273 438 C CA -2.448 56.626 59.018 0.093 0.000 2.310 438 C CB -0.003 27.797 27.740 0.100 0.000 2.219 438 C HN 0.155 nan 8.230 nan 0.000 0.587 439 P HA 0.336 nan 4.420 nan 0.000 0.271 439 P C -1.281 176.110 177.300 0.153 0.000 1.218 439 P CA 0.377 63.560 63.100 0.138 0.000 0.780 439 P CB 0.045 31.860 31.700 0.192 0.000 0.901 440 Y N 0.964 121.176 120.300 -0.146 0.000 2.386 440 Y HA 0.659 5.222 4.550 0.022 0.000 0.334 440 Y C -1.485 174.128 175.900 -0.479 0.000 1.002 440 Y CA -0.862 57.131 58.100 -0.178 0.000 1.068 440 Y CB 1.329 39.697 38.460 -0.154 0.000 1.203 440 Y HN 0.442 nan 8.280 nan 0.000 0.443 441 H N 3.718 122.617 119.070 -0.286 0.000 2.954 441 H HA 0.570 5.140 4.556 0.024 0.000 0.361 441 H C -1.160 174.011 175.328 -0.262 0.000 1.122 441 H CA -0.774 55.034 56.048 -0.399 0.000 1.217 441 H CB 1.751 31.336 29.762 -0.296 0.000 1.776 441 H HN 0.898 nan 8.280 nan 0.000 0.533 442 N N 0.229 118.784 118.700 -0.242 0.000 3.441 442 N HA 0.155 4.909 4.740 0.023 0.000 0.313 442 N C -1.289 173.957 175.510 -0.438 0.000 1.526 442 N CA -0.899 51.968 53.050 -0.304 0.000 0.871 442 N CB 0.564 39.042 38.487 -0.015 0.000 1.779 442 N HN 0.311 nan 8.380 nan 0.000 0.529 443 F N -0.312 119.672 119.950 0.056 0.000 2.639 443 F HA 0.373 4.914 4.527 0.023 0.000 0.302 443 F C 0.395 176.232 175.800 0.063 0.000 1.097 443 F CA -0.339 57.691 58.000 0.050 0.000 1.294 443 F CB 0.213 39.237 39.000 0.041 0.000 1.027 443 F HN 0.139 nan 8.300 nan 0.000 0.550 444 Q N 1.544 121.441 119.800 0.161 0.000 2.327 444 Q HA 0.442 4.796 4.340 0.023 0.000 0.254 444 Q C 0.055 176.125 176.000 0.116 0.000 0.952 444 Q CA -0.176 55.706 55.803 0.133 0.000 0.884 444 Q CB 1.179 29.974 28.738 0.095 0.000 1.224 444 Q HN 0.093 nan 8.270 nan 0.000 0.422 445 R N 1.635 122.199 120.500 0.108 0.000 2.836 445 R HA 0.369 4.723 4.340 0.023 0.000 0.269 445 R C -0.597 175.748 176.300 0.076 0.000 1.010 445 R CA -0.643 55.511 56.100 0.091 0.000 0.930 445 R CB 1.188 31.544 30.300 0.094 0.000 1.218 445 R HN 0.713 nan 8.270 nan 0.000 0.473 446 D N -0.196 120.241 120.400 0.061 0.000 3.369 446 D HA -0.184 4.470 4.640 0.023 0.000 0.217 446 D C 0.394 176.726 176.300 0.053 0.000 1.532 446 D CA 2.001 56.030 54.000 0.049 0.000 1.126 446 D CB -1.085 39.744 40.800 0.048 0.000 0.683 446 D HN 0.904 nan 8.370 nan 0.000 0.827 447 G N -1.353 107.478 108.800 0.051 0.000 2.712 447 G HA2 0.167 4.141 3.960 0.023 0.000 0.686 447 G HA3 0.167 4.141 3.960 0.023 0.000 0.686 447 G C -0.286 174.649 174.900 0.057 0.000 1.321 447 G CA 0.060 45.194 45.100 0.056 0.000 0.813 447 G HN 0.811 nan 8.290 nan 0.000 0.599 448 M N 1.138 120.779 119.600 0.068 0.000 2.248 448 M HA 0.495 4.989 4.480 0.023 0.000 0.345 448 M C 1.046 177.426 176.300 0.134 0.000 1.243 448 M CA 1.327 56.678 55.300 0.085 0.000 1.090 448 M CB -0.472 32.179 32.600 0.084 0.000 1.683 448 M HN 1.727 nan 8.290 nan 0.000 0.450 449 H N 0.991 120.066 119.070 0.008 0.000 2.756 449 H HA -0.185 4.383 4.556 0.020 0.000 0.315 449 H C -0.667 174.653 175.328 -0.013 0.000 1.210 449 H CA 0.742 56.791 56.048 0.001 0.000 1.150 449 H CB -0.690 29.076 29.762 0.006 0.000 1.463 449 H HN 0.685 nan 8.280 nan 0.000 0.427 450 R N 1.255 121.753 120.500 -0.003 0.000 2.458 450 R HA 0.031 4.385 4.340 0.023 0.000 0.303 450 R C 0.977 177.242 176.300 -0.059 0.000 1.013 450 R CA 0.245 56.337 56.100 -0.012 0.000 1.026 450 R CB 0.227 30.528 30.300 0.001 0.000 0.948 450 R HN 0.409 nan 8.270 nan 0.000 0.417 451 M N 2.785 122.364 119.600 -0.035 0.000 2.412 451 M HA 0.205 4.699 4.480 0.023 0.000 0.263 451 M C 0.965 177.248 176.300 -0.029 0.000 1.122 451 M CA 1.076 56.351 55.300 -0.042 0.000 1.179 451 M CB -0.862 31.728 32.600 -0.016 0.000 1.335 451 M HN 0.712 nan 8.290 nan 0.000 0.465 452 G N 1.859 110.654 108.800 -0.008 0.000 2.365 452 G HA2 0.373 4.347 3.960 0.023 0.000 0.249 452 G HA3 0.373 4.347 3.960 0.023 0.000 0.249 452 G C -0.331 174.561 174.900 -0.013 0.000 1.288 452 G CA -0.357 44.740 45.100 -0.006 0.000 0.887 452 G HN 0.336 nan 8.290 nan 0.000 0.524 453 I N 2.995 123.550 120.570 -0.024 0.000 2.310 453 I HA 0.083 4.267 4.170 0.023 0.000 0.287 453 I C -0.213 175.892 176.117 -0.021 0.000 1.073 453 I CA -0.554 60.734 61.300 -0.019 0.000 1.216 453 I CB 0.743 38.731 38.000 -0.020 0.000 1.415 453 I HN 0.365 nan 8.210 nan 0.000 0.480 454 D N 4.778 125.169 120.400 -0.014 0.000 2.417 454 D HA 0.020 4.673 4.640 0.023 0.000 0.250 454 D C 1.276 177.574 176.300 -0.002 0.000 1.166 454 D CA 0.389 54.380 54.000 -0.015 0.000 0.881 454 D CB 1.595 42.393 40.800 -0.003 0.000 1.164 454 D HN 0.555 nan 8.370 nan 0.000 0.467 455 T N -0.766 113.783 114.554 -0.008 0.000 3.040 455 T HA -0.061 4.303 4.350 0.023 0.000 0.250 455 T C 0.840 175.548 174.700 0.013 0.000 1.058 455 T CA -0.567 61.533 62.100 0.001 0.000 0.988 455 T CB 0.169 69.031 68.868 -0.010 0.000 0.993 455 T HN 0.108 nan 8.240 nan 0.000 0.519 456 N N 3.479 122.188 118.700 0.015 0.000 2.365 456 N HA 0.081 4.835 4.740 0.023 0.000 0.265 456 N C -1.643 173.908 175.510 0.067 0.000 1.288 456 N CA -1.478 51.595 53.050 0.039 0.000 0.869 456 N CB 1.347 39.857 38.487 0.038 0.000 1.071 456 N HN 0.079 nan 8.380 nan 0.000 0.480 457 P HA -0.079 nan 4.420 nan 0.000 0.217 457 P C -0.547 176.821 177.300 0.114 0.000 1.148 457 P CA 1.101 64.249 63.100 0.081 0.000 0.828 457 P CB 0.179 31.922 31.700 0.072 0.000 0.783 458 A N 0.489 123.368 122.820 0.099 0.000 2.301 458 A HA 0.353 4.687 4.320 0.023 0.000 0.312 458 A C 0.548 178.250 177.584 0.198 0.000 1.182 458 A CA -0.608 51.453 52.037 0.040 0.000 0.826 458 A CB -0.164 18.696 19.000 -0.233 0.000 1.134 458 A HN 0.300 nan 8.150 nan 0.000 0.501 459 N N 0.549 119.408 118.700 0.266 0.000 2.338 459 N HA 0.359 5.113 4.740 0.023 0.000 0.251 459 N C -0.836 174.858 175.510 0.306 0.000 1.199 459 N CA -0.363 52.909 53.050 0.370 0.000 0.879 459 N CB 0.270 38.923 38.487 0.276 0.000 1.159 459 N HN 0.693 nan 8.380 nan 0.000 0.514 460 Y N -1.220 118.973 120.300 -0.177 0.000 2.581 460 Y HA 0.626 5.189 4.550 0.023 0.000 0.337 460 Y C -1.589 173.742 175.900 -0.948 0.000 1.108 460 Y CA -1.392 56.427 58.100 -0.468 0.000 1.033 460 Y CB 0.963 39.300 38.460 -0.204 0.000 1.318 460 Y HN 0.072 nan 8.280 nan 0.000 0.459 461 E N 1.402 121.089 120.200 -0.856 0.000 2.367 461 E HA 0.668 5.032 4.350 0.023 0.000 0.273 461 E C -3.121 173.359 176.600 -0.200 0.000 0.903 461 E CA -2.111 53.902 56.400 -0.646 0.000 0.764 461 E CB 1.574 30.824 29.700 -0.750 0.000 1.252 461 E HN 0.571 nan 8.360 nan 0.000 0.446 462 P HA 0.232 nan 4.420 nan 0.000 0.271 462 P C -1.254 175.976 177.300 -0.117 0.000 1.216 462 P CA -0.366 62.655 63.100 -0.131 0.000 0.776 462 P CB 0.417 32.081 31.700 -0.061 0.000 0.881 463 N N -1.079 117.469 118.700 -0.253 0.000 2.229 463 N HA 0.330 5.084 4.740 0.023 0.000 0.298 463 N C 0.339 175.790 175.510 -0.098 0.000 1.114 463 N CA -0.779 52.134 53.050 -0.228 0.000 0.776 463 N CB 1.523 39.551 38.487 -0.764 0.000 1.501 463 N HN 0.195 nan 8.380 nan 0.000 0.474 464 S N 0.736 116.432 115.700 -0.007 0.000 2.503 464 S HA -0.007 4.477 4.470 0.023 0.000 0.215 464 S C 1.499 176.108 174.600 0.015 0.000 1.003 464 S CA 0.002 58.200 58.200 -0.003 0.000 0.910 464 S CB -0.795 62.416 63.200 0.019 0.000 0.790 464 S HN 0.715 nan 8.310 nan 0.000 0.514 465 I N -0.927 119.662 120.570 0.031 0.000 2.830 465 I HA 0.261 4.445 4.170 0.023 0.000 0.263 465 I C 1.227 177.375 176.117 0.052 0.000 1.230 465 I CA 1.077 62.409 61.300 0.053 0.000 1.480 465 I CB -0.340 37.714 38.000 0.091 0.000 1.095 465 I HN 0.169 nan 8.210 nan 0.000 0.455 466 N N 1.216 119.941 118.700 0.042 0.000 2.351 466 N HA 0.042 4.796 4.740 0.023 0.000 0.254 466 N C -0.057 175.546 175.510 0.155 0.000 1.241 466 N CA -0.041 53.074 53.050 0.108 0.000 0.883 466 N CB -0.012 38.553 38.487 0.130 0.000 1.202 466 N HN 0.200 nan 8.380 nan 0.000 0.512 467 D N 0.756 121.195 120.400 0.066 0.000 2.811 467 D HA -0.263 4.390 4.640 0.023 0.000 0.231 467 D C -0.121 176.051 176.300 -0.214 0.000 1.157 467 D CA 1.138 55.134 54.000 -0.007 0.000 0.716 467 D CB -1.351 39.520 40.800 0.118 0.000 1.077 467 D HN 0.509 nan 8.370 nan 0.000 0.428 468 N N -1.690 116.923 118.700 -0.145 0.000 2.782 468 N HA -0.243 4.511 4.740 0.023 0.000 0.251 468 N C -0.881 174.540 175.510 -0.148 0.000 1.101 468 N CA 1.402 54.338 53.050 -0.190 0.000 0.764 468 N CB -1.326 37.005 38.487 -0.259 0.000 1.122 468 N HN 0.532 nan 8.380 nan 0.000 0.561 469 W N 0.864 122.211 121.300 0.078 0.000 2.381 469 W HA 0.461 5.134 4.660 0.023 0.000 0.329 469 W C -1.684 174.873 176.519 0.064 0.000 1.157 469 W CA -1.691 55.683 57.345 0.048 0.000 1.240 469 W CB 0.758 30.198 29.460 -0.034 0.000 1.199 469 W HN -0.037 nan 8.180 nan 0.000 0.579 470 P HA 0.179 nan 4.420 nan 0.000 0.275 470 P C -0.724 176.720 177.300 0.240 0.000 1.228 470 P CA -0.151 63.084 63.100 0.225 0.000 0.786 470 P CB 0.913 32.580 31.700 -0.054 0.000 0.927 471 R N 1.359 121.988 120.500 0.216 0.000 2.407 471 R HA 0.276 4.629 4.340 0.023 0.000 0.303 471 R C 0.352 176.698 176.300 0.077 0.000 0.981 471 R CA -0.769 55.340 56.100 0.015 0.000 0.905 471 R CB 1.009 31.127 30.300 -0.304 0.000 1.099 471 R HN 0.500 nan 8.270 nan 0.000 0.459 472 E N 0.991 121.225 120.200 0.056 0.000 2.508 472 E HA -0.065 4.299 4.350 0.023 0.000 0.266 472 E C -0.496 176.130 176.600 0.044 0.000 1.010 472 E CA 0.902 57.337 56.400 0.058 0.000 0.955 472 E CB 0.466 30.187 29.700 0.034 0.000 0.946 472 E HN 0.370 nan 8.360 nan 0.000 0.454 473 T N 4.099 118.689 114.554 0.059 0.000 2.840 473 T HA 0.311 4.675 4.350 0.023 0.000 0.287 473 T C -2.413 172.312 174.700 0.041 0.000 0.991 473 T CA -1.568 60.564 62.100 0.054 0.000 0.964 473 T CB 1.376 70.288 68.868 0.072 0.000 0.954 473 T HN 0.261 nan 8.240 nan 0.000 0.438 474 P HA 0.188 nan 4.420 nan 0.000 0.267 474 P C -2.443 174.863 177.300 0.010 0.000 1.200 474 P CA -1.220 61.888 63.100 0.013 0.000 0.772 474 P CB -0.446 31.257 31.700 0.005 0.000 0.855 475 P HA 0.233 nan 4.420 nan 0.000 0.269 475 P C 0.080 177.368 177.300 -0.020 0.000 1.215 475 P CA 0.431 63.516 63.100 -0.024 0.000 0.780 475 P CB 0.630 32.297 31.700 -0.056 0.000 0.898 476 G N 0.900 109.687 108.800 -0.022 0.000 2.489 476 G HA2 0.393 4.367 3.960 0.023 0.000 0.305 476 G HA3 0.393 4.367 3.960 0.023 0.000 0.305 476 G C -2.555 172.334 174.900 -0.018 0.000 1.311 476 G CA -0.700 44.391 45.100 -0.015 0.000 0.813 476 G HN 0.122 nan 8.290 nan 0.000 0.480 477 P HA 0.114 nan 4.420 nan 0.000 0.218 477 P C 0.144 177.439 177.300 -0.008 0.000 1.149 477 P CA 1.169 64.260 63.100 -0.014 0.000 0.817 477 P CB 0.236 31.930 31.700 -0.010 0.000 0.785 478 K N -1.478 118.924 120.400 0.003 0.000 2.546 478 K HA 0.344 4.678 4.320 0.023 0.000 0.264 478 K C -0.235 176.380 176.600 0.025 0.000 0.937 478 K CA -0.914 55.382 56.287 0.014 0.000 0.833 478 K CB 2.166 34.676 32.500 0.017 0.000 1.378 478 K HN -0.364 nan 8.250 nan 0.000 0.432 479 R N -0.649 119.874 120.500 0.037 0.000 3.863 479 R HA -0.143 4.211 4.340 0.023 0.000 0.313 479 R C 0.084 176.412 176.300 0.047 0.000 1.202 479 R CA 1.079 57.208 56.100 0.047 0.000 0.852 479 R CB -2.315 28.011 30.300 0.045 0.000 1.292 479 R HN 0.990 nan 8.270 nan 0.000 0.519 480 G N -0.705 108.118 108.800 0.038 0.000 2.502 480 G HA2 0.573 4.547 3.960 0.023 0.000 0.305 480 G HA3 0.573 4.547 3.960 0.023 0.000 0.305 480 G C 0.427 175.359 174.900 0.054 0.000 1.190 480 G CA 0.084 45.204 45.100 0.034 0.000 0.933 480 G HN 0.257 nan 8.290 nan 0.000 0.503 481 G N -1.205 107.628 108.800 0.055 0.000 2.594 481 G HA2 0.370 4.344 3.960 0.023 0.000 0.243 481 G HA3 0.370 4.344 3.960 0.023 0.000 0.243 481 G C -0.547 174.404 174.900 0.086 0.000 1.229 481 G CA -0.495 44.657 45.100 0.088 0.000 0.843 481 G HN 0.458 nan 8.290 nan 0.000 0.578 482 F N 0.620 120.586 119.950 0.027 0.000 2.467 482 F HA 0.366 4.908 4.527 0.024 0.000 0.362 482 F C 0.570 176.386 175.800 0.027 0.000 1.090 482 F CA -0.168 57.844 58.000 0.020 0.000 1.202 482 F CB 0.815 39.831 39.000 0.026 0.000 1.113 482 F HN 0.443 nan 8.300 nan 0.000 0.541 483 E N 4.134 123.987 120.200 -0.579 0.000 2.256 483 E HA 0.302 4.665 4.350 0.023 0.000 0.268 483 E C -1.031 175.214 176.600 -0.591 0.000 0.877 483 E CA -0.783 55.412 56.400 -0.342 0.000 0.757 483 E CB 1.567 31.154 29.700 -0.188 0.000 1.183 483 E HN 0.621 nan 8.360 nan 0.000 0.418 484 S N 2.456 118.036 115.700 -0.199 0.000 2.572 484 S HA -0.014 4.470 4.470 0.023 0.000 0.279 484 S C -0.538 174.041 174.600 -0.035 0.000 1.341 484 S CA -0.277 57.900 58.200 -0.039 0.000 1.043 484 S CB 0.129 63.441 63.200 0.186 0.000 0.887 484 S HN 0.461 nan 8.310 nan 0.000 0.516 485 Y N 2.455 122.689 120.300 -0.111 0.000 2.526 485 Y HA 0.016 4.580 4.550 0.023 0.000 0.330 485 Y C 0.841 176.721 175.900 -0.033 0.000 1.156 485 Y CA 0.095 58.141 58.100 -0.090 0.000 1.419 485 Y CB 0.206 38.609 38.460 -0.095 0.000 1.250 485 Y HN 0.581 nan 8.280 nan 0.000 0.540 486 Q N 5.321 124.772 119.800 -0.582 0.000 3.254 486 Q HA 0.011 4.365 4.340 0.023 0.000 0.315 486 Q C -0.226 175.473 176.000 -0.501 0.000 1.405 486 Q CA -0.010 55.545 55.803 -0.414 0.000 0.966 486 Q CB -0.202 28.366 28.738 -0.283 0.000 1.706 486 Q HN 0.647 nan 8.270 nan 0.000 0.525 487 E N 1.568 121.551 120.200 -0.361 0.000 2.392 487 E HA 0.018 4.382 4.350 0.023 0.000 0.264 487 E C -0.349 176.214 176.600 -0.061 0.000 1.024 487 E CA -0.384 55.927 56.400 -0.147 0.000 0.903 487 E CB 0.737 30.506 29.700 0.115 0.000 0.963 487 E HN 0.262 nan 8.360 nan 0.000 0.432 488 R N 2.984 123.474 120.500 -0.015 0.000 2.389 488 R HA 0.217 4.571 4.340 0.023 0.000 0.295 488 R C -1.232 175.093 176.300 0.041 0.000 1.075 488 R CA -0.386 55.718 56.100 0.008 0.000 1.005 488 R CB 0.706 31.017 30.300 0.019 0.000 0.987 488 R HN 0.322 nan 8.270 nan 0.000 0.452 489 V N 4.366 124.297 119.914 0.028 0.000 2.495 489 V HA 0.394 4.528 4.120 0.023 0.000 0.298 489 V C -0.419 175.689 176.094 0.023 0.000 1.031 489 V CA -0.557 61.764 62.300 0.035 0.000 0.871 489 V CB 1.583 33.424 31.823 0.029 0.000 0.988 489 V HN 0.815 nan 8.190 nan 0.000 0.432 490 E N 2.626 122.841 120.200 0.025 0.000 2.307 490 E HA 0.637 5.001 4.350 0.023 0.000 0.280 490 E C -0.530 176.075 176.600 0.009 0.000 0.900 490 E CA -0.106 56.303 56.400 0.014 0.000 0.790 490 E CB 2.176 31.885 29.700 0.015 0.000 1.261 490 E HN 0.997 nan 8.360 nan 0.000 0.405 491 G N 2.909 111.710 108.800 0.001 0.000 2.320 491 G HA2 0.079 4.053 3.960 0.023 0.000 0.297 491 G HA3 0.079 4.053 3.960 0.023 0.000 0.297 491 G C -1.436 173.458 174.900 -0.010 0.000 1.344 491 G CA -0.921 44.175 45.100 -0.006 0.000 0.851 491 G HN 0.395 nan 8.290 nan 0.000 0.567 492 N N 0.168 118.859 118.700 -0.015 0.000 2.489 492 N HA 0.371 5.124 4.740 0.023 0.000 0.284 492 N C -0.193 175.304 175.510 -0.022 0.000 1.158 492 N CA -0.358 52.681 53.050 -0.017 0.000 0.965 492 N CB 1.206 39.682 38.487 -0.019 0.000 1.195 492 N HN 0.477 nan 8.380 nan 0.000 0.506 493 K N 0.855 121.241 120.400 -0.022 0.000 2.382 493 K HA 0.196 4.530 4.320 0.023 0.000 0.286 493 K C -0.330 176.248 176.600 -0.036 0.000 1.062 493 K CA -0.155 56.115 56.287 -0.028 0.000 1.000 493 K CB -0.041 32.444 32.500 -0.026 0.000 0.954 493 K HN 0.343 nan 8.250 nan 0.000 0.470 494 V N 0.259 120.147 119.914 -0.044 0.000 2.925 494 V HA 0.477 4.611 4.120 0.023 0.000 0.311 494 V C -0.586 175.467 176.094 -0.068 0.000 1.104 494 V CA -1.345 60.924 62.300 -0.052 0.000 0.954 494 V CB 2.029 33.822 31.823 -0.049 0.000 1.022 494 V HN 0.633 nan 8.190 nan 0.000 0.427 495 R N 2.270 122.726 120.500 -0.074 0.000 2.369 495 R HA 0.633 4.987 4.340 0.023 0.000 0.310 495 R C -0.550 175.701 176.300 -0.081 0.000 1.141 495 R CA -0.128 55.915 56.100 -0.095 0.000 1.116 495 R CB 0.825 31.056 30.300 -0.114 0.000 1.135 495 R HN 0.942 nan 8.270 nan 0.000 0.529 496 E N 1.941 122.089 120.200 -0.087 0.000 2.335 496 E HA 0.212 4.576 4.350 0.023 0.000 0.280 496 E C -1.344 175.186 176.600 -0.116 0.000 0.918 496 E CA -0.976 55.374 56.400 -0.082 0.000 0.765 496 E CB 1.555 31.213 29.700 -0.071 0.000 1.218 496 E HN 0.124 nan 8.360 nan 0.000 0.425 497 R N 1.755 122.191 120.500 -0.107 0.000 2.340 497 R HA 0.231 4.585 4.340 0.023 0.000 0.300 497 R C -0.547 175.635 176.300 -0.197 0.000 1.069 497 R CA 0.072 56.072 56.100 -0.168 0.000 0.984 497 R CB 1.183 31.445 30.300 -0.064 0.000 1.003 497 R HN 0.386 nan 8.270 nan 0.000 0.459 498 S N 4.990 120.465 115.700 -0.375 0.000 2.549 498 S HA 0.110 4.593 4.470 0.023 0.000 0.286 498 S C -1.513 173.064 174.600 -0.038 0.000 1.314 498 S CA -1.170 56.903 58.200 -0.212 0.000 1.062 498 S CB 0.665 63.706 63.200 -0.266 0.000 0.865 498 S HN 0.542 nan 8.310 nan 0.000 0.498 499 P HA -0.112 nan 4.420 nan 0.000 0.218 499 P C 1.502 178.853 177.300 0.085 0.000 1.146 499 P CA 1.287 64.408 63.100 0.035 0.000 0.813 499 P CB -0.110 31.600 31.700 0.015 0.000 0.778 500 S N -2.170 113.622 115.700 0.153 0.000 2.474 500 S HA -0.106 4.378 4.470 0.023 0.000 0.235 500 S C 1.487 176.240 174.600 0.255 0.000 0.997 500 S CA 0.831 59.149 58.200 0.197 0.000 0.949 500 S CB -1.343 62.010 63.200 0.254 0.000 0.766 500 S HN -0.014 nan 8.310 nan 0.000 0.517 501 F N 2.291 122.230 119.950 -0.018 0.000 2.789 501 F HA 0.379 4.919 4.527 0.023 0.000 0.300 501 F C 2.050 177.784 175.800 -0.109 0.000 1.132 501 F CA -0.716 57.270 58.000 -0.023 0.000 1.404 501 F CB -0.702 38.315 39.000 0.028 0.000 1.114 501 F HN 0.350 nan 8.300 nan 0.000 0.584 502 G N 0.507 109.312 108.800 0.008 0.000 3.392 502 G HA2 0.052 4.026 3.960 0.023 0.000 0.247 502 G HA3 0.052 4.026 3.960 0.023 0.000 0.247 502 G C 0.037 174.517 174.900 -0.700 0.000 1.161 502 G CA 0.187 45.124 45.100 -0.272 0.000 1.739 502 G HN 0.067 nan 8.290 nan 0.000 0.619 503 E N -0.110 119.589 120.200 -0.835 0.000 2.278 503 E HA 0.325 4.689 4.350 0.023 0.000 0.272 503 E C -0.871 175.293 176.600 -0.726 0.000 0.890 503 E CA -0.749 55.214 56.400 -0.728 0.000 0.770 503 E CB 1.523 31.060 29.700 -0.271 0.000 1.212 503 E HN 0.187 nan 8.360 nan 0.000 0.415 504 Y N 2.480 122.576 120.300 -0.339 0.000 2.432 504 Y HA 0.193 4.757 4.550 0.023 0.000 0.252 504 Y C 0.825 176.483 175.900 -0.403 0.000 1.097 504 Y CA -0.062 57.754 58.100 -0.474 0.000 1.250 504 Y CB 0.406 38.426 38.460 -0.733 0.000 1.245 504 Y HN 0.427 nan 8.280 nan 0.000 0.522 505 Y N -1.959 118.433 120.300 0.153 0.000 2.483 505 Y HA 0.180 4.744 4.550 0.023 0.000 0.258 505 Y C 2.220 178.189 175.900 0.114 0.000 1.083 505 Y CA 0.097 58.280 58.100 0.139 0.000 1.283 505 Y CB -0.169 38.373 38.460 0.137 0.000 1.178 505 Y HN -0.133 nan 8.280 nan 0.000 0.515 506 S N -0.466 115.370 115.700 0.227 0.000 2.383 506 S HA -0.158 4.326 4.470 0.023 0.000 0.227 506 S C 1.441 176.124 174.600 0.139 0.000 1.026 506 S CA 1.502 59.819 58.200 0.194 0.000 0.981 506 S CB -0.246 63.073 63.200 0.197 0.000 0.818 506 S HN 0.480 nan 8.310 nan 0.000 0.472 507 H N 1.334 120.329 119.070 -0.125 0.000 2.333 507 H HA 0.057 4.627 4.556 0.023 0.000 0.302 507 H C -0.648 174.482 175.328 -0.331 0.000 1.075 507 H CA 1.049 56.871 56.048 -0.376 0.000 1.348 507 H CB -1.778 27.522 29.762 -0.770 0.000 1.393 507 H HN 0.293 nan 8.280 nan 0.000 0.509 508 P HA -0.216 nan 4.420 nan 0.000 0.216 508 P C 1.522 179.012 177.300 0.318 0.000 1.157 508 P CA 1.834 65.099 63.100 0.274 0.000 0.880 508 P CB 0.071 31.959 31.700 0.314 0.000 0.791 509 R N -0.545 120.092 120.500 0.228 0.000 2.075 509 R HA -0.129 4.225 4.340 0.023 0.000 0.232 509 R C 2.242 178.669 176.300 0.211 0.000 1.126 509 R CA 1.151 57.388 56.100 0.228 0.000 0.963 509 R CB -1.082 29.314 30.300 0.160 0.000 0.858 509 R HN 0.058 nan 8.270 nan 0.000 0.435 510 L N 0.555 121.842 121.223 0.106 0.000 2.013 510 L HA -0.184 4.170 4.340 0.023 0.000 0.212 510 L C 2.010 178.925 176.870 0.076 0.000 1.073 510 L CA 1.829 56.693 54.840 0.041 0.000 0.753 510 L CB -0.736 41.268 42.059 -0.092 0.000 0.890 510 L HN 0.241 nan 8.230 nan 0.000 0.432 511 F N -0.683 119.289 119.950 0.037 0.000 2.069 511 F HA -0.303 4.238 4.527 0.023 0.000 0.298 511 F C 2.359 178.158 175.800 -0.001 0.000 1.113 511 F CA 2.340 60.343 58.000 0.004 0.000 1.214 511 F CB -0.734 38.307 39.000 0.068 0.000 0.978 511 F HN 0.394 nan 8.300 nan 0.000 0.474 512 W N 1.428 122.718 121.300 -0.018 0.000 2.302 512 W HA -0.293 4.381 4.660 0.023 0.000 0.320 512 W C 1.832 178.227 176.519 -0.207 0.000 1.241 512 W CA 2.127 59.410 57.345 -0.103 0.000 1.264 512 W CB -0.866 28.621 29.460 0.045 0.000 1.154 512 W HN 0.110 nan 8.180 nan 0.000 0.483 513 L N 1.064 122.207 121.223 -0.134 0.000 2.456 513 L HA -0.145 4.209 4.340 0.023 0.000 0.224 513 L C 2.337 179.005 176.870 -0.338 0.000 1.148 513 L CA 0.984 55.671 54.840 -0.254 0.000 0.825 513 L CB -0.616 41.423 42.059 -0.032 0.000 0.937 513 L HN -0.129 nan 8.230 nan 0.000 0.450 514 S N -1.551 113.922 115.700 -0.378 0.000 2.528 514 S HA 0.063 4.547 4.470 0.023 0.000 0.219 514 S C 0.730 175.030 174.600 -0.500 0.000 0.985 514 S CA 0.060 58.039 58.200 -0.369 0.000 0.914 514 S CB 0.083 63.092 63.200 -0.318 0.000 0.776 514 S HN 0.285 nan 8.310 nan 0.000 0.526 515 Q N 2.175 121.570 119.800 -0.674 0.000 2.260 515 Q HA 0.296 4.650 4.340 0.023 0.000 0.242 515 Q C 0.590 176.183 176.000 -0.679 0.000 0.932 515 Q CA -0.122 55.246 55.803 -0.724 0.000 0.891 515 Q CB 0.541 28.782 28.738 -0.829 0.000 1.222 515 Q HN 0.422 nan 8.270 nan 0.000 0.453 516 T N -1.691 112.418 114.554 -0.742 0.000 2.748 516 T HA 0.144 4.507 4.350 0.023 0.000 0.304 516 T C -1.743 172.475 174.700 -0.803 0.000 1.041 516 T CA -1.228 60.386 62.100 -0.811 0.000 1.033 516 T CB 0.282 68.345 68.868 -1.342 0.000 0.995 516 T HN 0.216 nan 8.240 nan 0.000 0.536 517 P HA -0.023 nan 4.420 nan 0.000 0.215 517 P C 1.456 178.551 177.300 -0.341 0.000 1.153 517 P CA 1.071 63.952 63.100 -0.366 0.000 0.853 517 P CB -0.251 31.352 31.700 -0.162 0.000 0.788 518 F N 0.073 119.830 119.950 -0.322 0.000 2.171 518 F HA -0.059 4.482 4.527 0.023 0.000 0.300 518 F C 1.873 177.316 175.800 -0.595 0.000 1.090 518 F CA 1.071 58.809 58.000 -0.436 0.000 1.293 518 F CB -1.757 36.958 39.000 -0.475 0.000 1.013 518 F HN -0.084 nan 8.300 nan 0.000 0.486 519 E N 0.362 120.044 120.200 -0.865 0.000 2.110 519 E HA -0.218 4.146 4.350 0.023 0.000 0.193 519 E C 2.255 178.663 176.600 -0.320 0.000 0.988 519 E CA 1.485 57.566 56.400 -0.530 0.000 0.804 519 E CB -0.275 29.061 29.700 -0.607 0.000 0.745 519 E HN 0.637 nan 8.360 nan 0.000 0.458 520 Q N 0.122 119.655 119.800 -0.445 0.000 2.119 520 Q HA -0.172 4.181 4.340 0.023 0.000 0.201 520 Q C 2.238 178.269 176.000 0.052 0.000 0.972 520 Q CA 1.108 56.676 55.803 -0.392 0.000 0.847 520 Q CB -0.092 28.169 28.738 -0.795 0.000 0.903 520 Q HN -0.007 nan 8.270 nan 0.000 0.433 521 R N 0.624 121.126 120.500 0.003 0.000 2.096 521 R HA -0.153 4.201 4.340 0.023 0.000 0.235 521 R C 1.398 177.880 176.300 0.303 0.000 1.127 521 R CA 1.910 58.106 56.100 0.161 0.000 0.968 521 R CB -0.643 29.730 30.300 0.122 0.000 0.861 521 R HN 0.479 nan 8.270 nan 0.000 0.440 522 H N -0.914 118.252 119.070 0.159 0.000 2.462 522 H HA 0.076 4.646 4.556 0.023 0.000 0.292 522 H C 1.932 177.378 175.328 0.198 0.000 1.049 522 H CA 1.024 57.180 56.048 0.180 0.000 1.334 522 H CB 0.135 30.008 29.762 0.186 0.000 1.404 522 H HN 0.161 nan 8.280 nan 0.000 0.544 523 I N 0.140 120.929 120.570 0.364 0.000 2.202 523 I HA -0.244 3.940 4.170 0.023 0.000 0.242 523 I C 2.274 178.686 176.117 0.492 0.000 1.091 523 I CA 0.679 62.233 61.300 0.423 0.000 1.368 523 I CB -0.112 38.236 38.000 0.581 0.000 1.058 523 I HN 0.065 nan 8.210 nan 0.000 0.410 524 V N 0.968 121.168 119.914 0.477 0.000 2.278 524 V HA -0.362 3.772 4.120 0.023 0.000 0.251 524 V C 2.016 178.289 176.094 0.298 0.000 1.062 524 V CA 2.206 64.726 62.300 0.366 0.000 1.038 524 V CB -0.669 31.327 31.823 0.289 0.000 0.646 524 V HN 0.435 nan 8.190 nan 0.000 0.447 525 D N 0.026 120.585 120.400 0.265 0.000 2.183 525 D HA -0.044 4.610 4.640 0.023 0.000 0.203 525 D C 2.157 178.542 176.300 0.142 0.000 0.969 525 D CA 1.354 55.477 54.000 0.204 0.000 0.842 525 D CB -0.527 40.397 40.800 0.206 0.000 0.957 525 D HN 0.468 nan 8.370 nan 0.000 0.484 526 G N 0.296 109.158 108.800 0.105 0.000 2.453 526 G HA2 -0.267 3.706 3.960 0.023 0.000 0.215 526 G HA3 -0.267 3.706 3.960 0.023 0.000 0.215 526 G C 1.447 176.347 174.900 0.000 0.000 1.201 526 G CA 0.284 45.356 45.100 -0.047 0.000 0.784 526 G HN 0.171 nan 8.290 nan 0.000 0.545 527 F N 1.746 121.739 119.950 0.071 0.000 2.120 527 F HA -0.114 4.427 4.527 0.023 0.000 0.300 527 F C 3.175 178.888 175.800 -0.144 0.000 1.095 527 F CA 1.710 59.681 58.000 -0.048 0.000 1.249 527 F CB -0.326 38.656 39.000 -0.031 0.000 0.995 527 F HN 0.094 nan 8.300 nan 0.000 0.480 528 S N -0.499 115.291 115.700 0.150 0.000 2.371 528 S HA -0.158 4.325 4.470 0.023 0.000 0.224 528 S C 1.837 176.444 174.600 0.011 0.000 1.029 528 S CA 0.950 59.183 58.200 0.054 0.000 0.978 528 S CB -0.665 62.592 63.200 0.095 0.000 0.833 528 S HN 0.393 nan 8.310 nan 0.000 0.466 529 F N 2.648 122.557 119.950 -0.068 0.000 2.113 529 F HA -0.056 4.485 4.527 0.023 0.000 0.297 529 F C 2.320 178.057 175.800 -0.106 0.000 1.103 529 F CA 1.365 59.315 58.000 -0.083 0.000 1.248 529 F CB -0.229 38.668 39.000 -0.171 0.000 0.999 529 F HN 0.100 nan 8.300 nan 0.000 0.475 530 E N 0.611 120.783 120.200 -0.046 0.000 2.051 530 E HA -0.200 4.164 4.350 0.023 0.000 0.192 530 E C 2.367 178.777 176.600 -0.317 0.000 0.991 530 E CA 1.618 57.967 56.400 -0.084 0.000 0.799 530 E CB -0.535 29.243 29.700 0.129 0.000 0.748 530 E HN 0.471 nan 8.360 nan 0.000 0.449 531 L N 1.369 122.312 121.223 -0.467 0.000 2.201 531 L HA -0.129 4.225 4.340 0.023 0.000 0.212 531 L C 2.726 179.422 176.870 -0.290 0.000 1.105 531 L CA 1.077 55.618 54.840 -0.498 0.000 0.775 531 L CB -0.472 41.307 42.059 -0.468 0.000 0.913 531 L HN 0.136 nan 8.230 nan 0.000 0.440 532 S N -0.452 115.090 115.700 -0.264 0.000 2.442 532 S HA -0.141 4.342 4.470 0.023 0.000 0.236 532 S C 1.747 176.222 174.600 -0.209 0.000 1.007 532 S CA 0.804 58.874 58.200 -0.217 0.000 0.965 532 S CB -0.148 62.916 63.200 -0.226 0.000 0.773 532 S HN 0.284 nan 8.310 nan 0.000 0.504 533 K N 1.128 121.383 120.400 -0.241 0.000 2.404 533 K HA 0.338 4.672 4.320 0.023 0.000 0.194 533 K C -0.196 176.395 176.600 -0.015 0.000 1.023 533 K CA -0.015 56.196 56.287 -0.128 0.000 1.094 533 K CB 0.195 32.623 32.500 -0.121 0.000 0.841 533 K HN 0.316 nan 8.250 nan 0.000 0.523 534 V N 1.936 121.818 119.914 -0.053 0.000 2.406 534 V HA 0.031 4.165 4.120 0.023 0.000 0.272 534 V C 1.579 177.659 176.094 -0.022 0.000 1.043 534 V CA -0.122 62.176 62.300 -0.004 0.000 0.915 534 V CB 1.548 33.332 31.823 -0.065 0.000 0.988 534 V HN -0.127 nan 8.190 nan 0.000 0.466 535 V N 5.189 125.115 119.914 0.019 0.000 2.591 535 V HA 0.022 4.156 4.120 0.023 0.000 0.249 535 V C 1.291 177.377 176.094 -0.014 0.000 1.053 535 V CA 1.101 63.410 62.300 0.015 0.000 1.068 535 V CB -0.416 31.437 31.823 0.049 0.000 0.689 535 V HN 0.724 nan 8.190 nan 0.000 0.462 536 R N 0.775 121.242 120.500 -0.055 0.000 2.210 536 R HA 0.199 4.553 4.340 0.023 0.000 0.338 536 R C -1.757 174.437 176.300 -0.177 0.000 1.062 536 R CA -1.448 54.597 56.100 -0.092 0.000 0.902 536 R CB 0.867 31.049 30.300 -0.197 0.000 1.050 536 R HN 0.206 nan 8.270 nan 0.000 0.461 537 P HA -0.187 nan 4.420 nan 0.000 0.218 537 P C 0.735 177.999 177.300 -0.060 0.000 1.149 537 P CA 1.005 64.076 63.100 -0.048 0.000 0.817 537 P CB 0.014 31.722 31.700 0.014 0.000 0.785 538 Y N -0.918 119.382 120.300 0.000 0.000 2.241 538 Y HA -0.173 4.390 4.550 0.023 0.000 0.286 538 Y C 1.873 177.779 175.900 0.010 0.000 1.166 538 Y CA 1.016 59.117 58.100 0.003 0.000 1.203 538 Y CB -1.796 36.666 38.460 0.004 0.000 0.977 538 Y HN -0.090 nan 8.280 nan 0.000 0.529 539 I N 0.742 120.888 120.570 -0.705 0.000 2.286 539 I HA -0.220 3.964 4.170 0.023 0.000 0.245 539 I C 2.542 178.565 176.117 -0.157 0.000 1.104 539 I CA 1.261 62.314 61.300 -0.411 0.000 1.397 539 I CB -0.405 37.340 38.000 -0.425 0.000 1.072 539 I HN 0.203 nan 8.210 nan 0.000 0.417 540 R N 0.965 121.364 120.500 -0.167 0.000 2.083 540 R HA -0.196 4.158 4.340 0.023 0.000 0.237 540 R C 2.116 178.364 176.300 -0.087 0.000 1.137 540 R CA 1.590 57.606 56.100 -0.141 0.000 0.951 540 R CB -0.465 29.751 30.300 -0.140 0.000 0.851 540 R HN 0.469 nan 8.270 nan 0.000 0.434 541 E N 0.458 120.629 120.200 -0.047 0.000 2.077 541 E HA -0.177 4.187 4.350 0.023 0.000 0.193 541 E C 2.167 178.770 176.600 0.005 0.000 0.989 541 E CA 1.071 57.464 56.400 -0.012 0.000 0.800 541 E CB -0.062 29.654 29.700 0.028 0.000 0.746 541 E HN 0.301 nan 8.360 nan 0.000 0.452 542 R N 0.346 120.865 120.500 0.031 0.000 2.092 542 R HA -0.072 4.282 4.340 0.023 0.000 0.231 542 R C 2.415 178.744 176.300 0.047 0.000 1.119 542 R CA 0.847 56.981 56.100 0.057 0.000 0.970 542 R CB -0.165 30.189 30.300 0.089 0.000 0.864 542 R HN 0.044 nan 8.270 nan 0.000 0.440 543 V N 0.343 120.278 119.914 0.035 0.000 2.427 543 V HA -0.196 3.937 4.120 0.023 0.000 0.248 543 V C 2.262 178.345 176.094 -0.019 0.000 1.051 543 V CA 1.437 63.773 62.300 0.060 0.000 1.048 543 V CB -0.248 31.626 31.823 0.085 0.000 0.666 543 V HN 0.122 nan 8.190 nan 0.000 0.456 544 V N 0.524 120.398 119.914 -0.066 0.000 2.343 544 V HA -0.312 3.821 4.120 0.023 0.000 0.247 544 V C 2.318 178.366 176.094 -0.076 0.000 1.051 544 V CA 2.503 64.736 62.300 -0.112 0.000 1.036 544 V CB -0.646 31.115 31.823 -0.103 0.000 0.654 544 V HN 0.676 nan 8.190 nan 0.000 0.451 545 D N -0.991 119.398 120.400 -0.018 0.000 2.123 545 D HA -0.214 4.440 4.640 0.023 0.000 0.196 545 D C 2.244 178.617 176.300 0.122 0.000 0.992 545 D CA 1.208 55.226 54.000 0.029 0.000 0.833 545 D CB 0.013 40.854 40.800 0.069 0.000 0.954 545 D HN 0.301 nan 8.370 nan 0.000 0.455 546 Q N -0.008 119.853 119.800 0.102 0.000 2.020 546 Q HA -0.104 4.250 4.340 0.023 0.000 0.202 546 Q C 2.611 178.638 176.000 0.045 0.000 0.982 546 Q CA 0.827 56.706 55.803 0.126 0.000 0.838 546 Q CB -0.601 28.222 28.738 0.141 0.000 0.899 546 Q HN 0.459 nan 8.270 nan 0.000 0.423 547 L N 0.159 121.342 121.223 -0.066 0.000 2.129 547 L HA -0.199 4.155 4.340 0.023 0.000 0.212 547 L C 2.269 179.013 176.870 -0.210 0.000 1.087 547 L CA 1.175 55.894 54.840 -0.203 0.000 0.757 547 L CB -0.709 41.123 42.059 -0.377 0.000 0.896 547 L HN 0.114 nan 8.230 nan 0.000 0.434 548 A N -0.980 121.735 122.820 -0.175 0.000 2.119 548 A HA -0.157 4.177 4.320 0.023 0.000 0.217 548 A C 1.745 179.127 177.584 -0.336 0.000 1.153 548 A CA 0.964 52.855 52.037 -0.242 0.000 0.692 548 A CB -0.672 18.187 19.000 -0.235 0.000 0.799 548 A HN 0.447 nan 8.150 nan 0.000 0.458 549 H N -0.987 117.868 119.070 -0.360 0.000 2.548 549 H HA 0.222 4.792 4.556 0.023 0.000 0.268 549 H C 1.584 176.613 175.328 -0.499 0.000 0.975 549 H CA 1.108 56.801 56.048 -0.592 0.000 1.195 549 H CB 0.069 29.072 29.762 -1.265 0.000 1.397 549 H HN 0.505 nan 8.280 nan 0.000 0.572 550 I N -1.085 119.369 120.570 -0.193 0.000 2.685 550 I HA 0.072 4.256 4.170 0.023 0.000 0.251 550 I C -0.065 175.978 176.117 -0.124 0.000 1.102 550 I CA 0.514 61.775 61.300 -0.065 0.000 1.442 550 I CB 0.581 38.581 38.000 -0.000 0.000 1.194 550 I HN 0.110 nan 8.210 nan 0.000 0.448 551 D N -1.008 119.245 120.400 -0.245 0.000 2.871 551 D HA 0.204 4.858 4.640 0.023 0.000 0.209 551 D C 0.105 176.231 176.300 -0.290 0.000 1.292 551 D CA -0.401 53.437 54.000 -0.270 0.000 0.869 551 D CB 1.286 41.804 40.800 -0.470 0.000 1.663 551 D HN -0.219 nan 8.370 nan 0.000 0.557 552 L N 2.525 123.640 121.223 -0.180 0.000 2.156 552 L HA 0.038 4.392 4.340 0.023 0.000 0.208 552 L C 2.135 178.918 176.870 -0.144 0.000 1.095 552 L CA 1.591 56.336 54.840 -0.158 0.000 0.770 552 L CB -1.284 40.711 42.059 -0.107 0.000 0.914 552 L HN 0.643 nan 8.230 nan 0.000 0.439 553 T N -0.073 114.418 114.554 -0.105 0.000 2.643 553 T HA -0.193 4.171 4.350 0.023 0.000 0.264 553 T C 1.990 176.609 174.700 -0.134 0.000 1.045 553 T CA 1.089 63.169 62.100 -0.035 0.000 1.155 553 T CB -0.381 68.561 68.868 0.123 0.000 0.863 553 T HN 0.198 nan 8.240 nan 0.000 0.420 554 L N 0.933 121.907 121.223 -0.416 0.000 1.990 554 L HA -0.207 4.147 4.340 0.023 0.000 0.213 554 L C 2.771 179.400 176.870 -0.401 0.000 1.072 554 L CA 2.194 56.632 54.840 -0.670 0.000 0.755 554 L CB -0.874 40.387 42.059 -1.331 0.000 0.889 554 L HN 0.327 nan 8.230 nan 0.000 0.432 555 A N -0.771 121.831 122.820 -0.364 0.000 1.902 555 A HA -0.267 4.067 4.320 0.023 0.000 0.217 555 A C 2.055 179.531 177.584 -0.179 0.000 1.181 555 A CA 1.687 53.558 52.037 -0.277 0.000 0.623 555 A CB -0.528 18.326 19.000 -0.244 0.000 0.818 555 A HN 0.653 nan 8.150 nan 0.000 0.443 556 Q N -0.744 118.974 119.800 -0.136 0.000 2.084 556 Q HA -0.116 4.238 4.340 0.023 0.000 0.202 556 Q C 2.442 178.408 176.000 -0.057 0.000 0.978 556 Q CA 1.343 57.097 55.803 -0.082 0.000 0.844 556 Q CB -0.369 28.336 28.738 -0.055 0.000 0.898 556 Q HN 0.699 nan 8.270 nan 0.000 0.426 557 A N 0.274 123.065 122.820 -0.048 0.000 1.877 557 A HA -0.135 4.199 4.320 0.023 0.000 0.216 557 A C 2.320 179.899 177.584 -0.007 0.000 1.186 557 A CA 1.348 53.386 52.037 0.002 0.000 0.620 557 A CB -0.677 18.354 19.000 0.051 0.000 0.822 557 A HN 0.209 nan 8.150 nan 0.000 0.443 558 V N -0.038 119.842 119.914 -0.056 0.000 2.295 558 V HA -0.243 3.891 4.120 0.023 0.000 0.246 558 V C 3.060 179.117 176.094 -0.061 0.000 1.049 558 V CA 1.924 64.189 62.300 -0.059 0.000 1.024 558 V CB -1.340 30.396 31.823 -0.145 0.000 0.648 558 V HN 0.610 nan 8.190 nan 0.000 0.447 559 A N -0.259 122.513 122.820 -0.079 0.000 1.908 559 A HA -0.292 4.042 4.320 0.023 0.000 0.218 559 A C 2.356 179.918 177.584 -0.036 0.000 1.181 559 A CA 2.291 54.289 52.037 -0.065 0.000 0.627 559 A CB -0.533 18.425 19.000 -0.069 0.000 0.818 559 A HN 0.527 nan 8.150 nan 0.000 0.445 560 K N -0.410 119.976 120.400 -0.023 0.000 2.063 560 K HA -0.197 4.137 4.320 0.023 0.000 0.208 560 K C 1.477 178.080 176.600 0.004 0.000 1.048 560 K CA 1.630 57.914 56.287 -0.005 0.000 0.928 560 K CB -0.218 32.287 32.500 0.007 0.000 0.713 560 K HN 0.426 nan 8.250 nan 0.000 0.442 561 N N 0.689 119.395 118.700 0.010 0.000 2.453 561 N HA -0.110 4.644 4.740 0.023 0.000 0.183 561 N C 1.246 176.756 175.510 0.001 0.000 1.041 561 N CA 0.843 53.905 53.050 0.020 0.000 0.900 561 N CB 0.076 38.588 38.487 0.041 0.000 0.961 561 N HN 0.274 nan 8.380 nan 0.000 0.443 562 L N -0.894 120.317 121.223 -0.020 0.000 2.640 562 L HA 0.253 4.607 4.340 0.023 0.000 0.230 562 L C 0.878 177.732 176.870 -0.027 0.000 1.123 562 L CA -0.135 54.683 54.840 -0.036 0.000 0.900 562 L CB -0.052 41.970 42.059 -0.061 0.000 1.146 562 L HN 0.067 nan 8.230 nan 0.000 0.484 563 G N 1.699 110.489 108.800 -0.016 0.000 2.249 563 G HA2 -0.292 3.682 3.960 0.023 0.000 0.273 563 G HA3 -0.292 3.682 3.960 0.023 0.000 0.273 563 G C 0.043 174.934 174.900 -0.016 0.000 1.036 563 G CA 0.226 45.319 45.100 -0.011 0.000 0.824 563 G HN 0.338 nan 8.290 nan 0.000 0.504 564 I N -0.411 120.145 120.570 -0.024 0.000 2.460 564 I HA 0.429 4.613 4.170 0.023 0.000 0.298 564 I C 0.304 176.405 176.117 -0.027 0.000 0.989 564 I CA -0.715 60.570 61.300 -0.026 0.000 1.173 564 I CB 1.914 39.891 38.000 -0.038 0.000 1.338 564 I HN 0.130 nan 8.210 nan 0.000 0.456 565 E N 6.111 126.296 120.200 -0.024 0.000 2.145 565 E HA 0.413 4.777 4.350 0.023 0.000 0.270 565 E C -0.996 175.585 176.600 -0.032 0.000 0.906 565 E CA -0.727 55.658 56.400 -0.025 0.000 0.761 565 E CB 1.291 30.981 29.700 -0.017 0.000 1.116 565 E HN 0.450 nan 8.360 nan 0.000 0.408 566 L N 3.260 124.458 121.223 -0.041 0.000 2.485 566 L HA 0.086 4.440 4.340 0.023 0.000 0.275 566 L C 1.062 177.908 176.870 -0.041 0.000 1.207 566 L CA 0.002 54.812 54.840 -0.049 0.000 0.855 566 L CB 0.111 42.131 42.059 -0.065 0.000 1.114 566 L HN 0.626 nan 8.230 nan 0.000 0.485 567 T N -2.597 111.933 114.554 -0.041 0.000 2.882 567 T HA 0.098 4.462 4.350 0.023 0.000 0.287 567 T C 0.785 175.461 174.700 -0.040 0.000 1.014 567 T CA -0.873 61.207 62.100 -0.033 0.000 1.049 567 T CB 1.293 70.144 68.868 -0.028 0.000 1.001 567 T HN 0.509 nan 8.240 nan 0.000 0.525 568 D N 0.867 121.248 120.400 -0.033 0.000 2.182 568 D HA -0.102 4.552 4.640 0.023 0.000 0.201 568 D C 1.440 177.714 176.300 -0.044 0.000 0.986 568 D CA 1.300 55.279 54.000 -0.035 0.000 0.847 568 D CB -0.202 40.582 40.800 -0.026 0.000 0.942 568 D HN 0.650 nan 8.370 nan 0.000 0.467 569 D N 0.662 121.037 120.400 -0.042 0.000 2.097 569 D HA -0.130 4.524 4.640 0.023 0.000 0.195 569 D C 2.203 178.454 176.300 -0.082 0.000 0.989 569 D CA 0.926 54.896 54.000 -0.050 0.000 0.827 569 D CB -0.112 40.667 40.800 -0.036 0.000 0.966 569 D HN 0.280 nan 8.370 nan 0.000 0.456 570 Q N -0.230 119.517 119.800 -0.088 0.000 2.084 570 Q HA -0.060 4.294 4.340 0.023 0.000 0.202 570 Q C 2.251 178.168 176.000 -0.139 0.000 0.978 570 Q CA 0.694 56.416 55.803 -0.135 0.000 0.844 570 Q CB -0.137 28.532 28.738 -0.115 0.000 0.898 570 Q HN 0.333 nan 8.270 nan 0.000 0.426 571 L N 0.906 122.071 121.223 -0.098 0.000 2.450 571 L HA -0.154 4.200 4.340 0.023 0.000 0.224 571 L C 1.316 178.135 176.870 -0.084 0.000 1.149 571 L CA 0.428 55.217 54.840 -0.085 0.000 0.816 571 L CB -0.249 41.774 42.059 -0.060 0.000 0.932 571 L HN 0.239 nan 8.230 nan 0.000 0.449 572 N N -0.389 118.258 118.700 -0.089 0.000 2.254 572 N HA 0.220 4.974 4.740 0.023 0.000 0.190 572 N C 0.518 175.970 175.510 -0.096 0.000 1.107 572 N CA 0.035 53.040 53.050 -0.076 0.000 0.869 572 N CB 0.487 38.940 38.487 -0.057 0.000 0.983 572 N HN 0.200 nan 8.380 nan 0.000 0.487 573 I N 1.775 122.253 120.570 -0.153 0.000 2.752 573 I HA -0.092 4.091 4.170 0.023 0.000 0.289 573 I C 1.154 177.189 176.117 -0.137 0.000 1.197 573 I CA 0.266 61.447 61.300 -0.199 0.000 1.432 573 I CB 0.361 38.106 38.000 -0.425 0.000 1.359 573 I HN 0.007 nan 8.210 nan 0.000 0.571 574 T N 6.167 120.670 114.554 -0.084 0.000 2.869 574 T HA 0.374 4.738 4.350 0.023 0.000 0.295 574 T C -2.073 172.603 174.700 -0.040 0.000 0.987 574 T CA -1.556 60.517 62.100 -0.046 0.000 1.109 574 T CB 0.977 69.837 68.868 -0.014 0.000 0.932 574 T HN 0.325 nan 8.240 nan 0.000 0.518 575 P HA 0.282 nan 4.420 nan 0.000 0.270 575 P C -2.390 174.934 177.300 0.039 0.000 1.223 575 P CA -1.320 61.775 63.100 -0.008 0.000 0.785 575 P CB -0.504 31.198 31.700 0.004 0.000 0.923 576 P HA 0.307 nan 4.420 nan 0.000 0.274 576 P C -2.562 174.797 177.300 0.099 0.000 1.256 576 P CA -1.552 61.624 63.100 0.126 0.000 0.795 576 P CB -0.899 30.927 31.700 0.210 0.000 1.038 577 P HA 0.123 nan 4.420 nan 0.000 0.272 577 P C -0.335 177.015 177.300 0.084 0.000 1.240 577 P CA 0.067 63.215 63.100 0.081 0.000 0.791 577 P CB 0.100 31.849 31.700 0.082 0.000 0.978 578 D N -0.329 120.112 120.400 0.069 0.000 2.362 578 D HA 0.044 4.698 4.640 0.023 0.000 0.238 578 D C -0.152 176.196 176.300 0.080 0.000 1.212 578 D CA 0.161 54.198 54.000 0.062 0.000 0.902 578 D CB 0.201 41.032 40.800 0.051 0.000 1.180 578 D HN -0.051 nan 8.370 nan 0.000 0.445 579 V N 2.332 122.284 119.914 0.063 0.000 2.334 579 V HA 0.058 4.191 4.120 0.023 0.000 0.267 579 V C 0.191 176.371 176.094 0.144 0.000 1.040 579 V CA -0.537 61.827 62.300 0.107 0.000 0.866 579 V CB -0.265 31.538 31.823 -0.032 0.000 1.019 579 V HN 0.582 nan 8.190 nan 0.000 0.468 580 N N 4.590 123.392 118.700 0.170 0.000 2.699 580 N HA -0.230 4.524 4.740 0.023 0.000 0.256 580 N C 1.170 176.736 175.510 0.094 0.000 0.993 580 N CA 1.035 54.167 53.050 0.136 0.000 0.759 580 N CB -0.841 37.764 38.487 0.196 0.000 0.906 580 N HN 1.291 nan 8.380 nan 0.000 0.541 581 G N -2.593 106.250 108.800 0.072 0.000 2.179 581 G HA2 -0.312 3.662 3.960 0.023 0.000 0.260 581 G HA3 -0.312 3.662 3.960 0.023 0.000 0.260 581 G C -0.089 174.839 174.900 0.046 0.000 0.977 581 G CA 0.149 45.279 45.100 0.051 0.000 0.641 581 G HN 0.337 nan 8.290 nan 0.000 0.533 582 L N 0.338 121.591 121.223 0.051 0.000 2.305 582 L HA 0.531 4.885 4.340 0.023 0.000 0.281 582 L C 1.304 178.187 176.870 0.022 0.000 1.085 582 L CA 0.216 55.077 54.840 0.035 0.000 0.813 582 L CB 1.427 43.507 42.059 0.036 0.000 1.157 582 L HN 0.175 nan 8.230 nan 0.000 0.436 583 K N 2.540 122.947 120.400 0.012 0.000 2.358 583 K HA 0.152 4.486 4.320 0.023 0.000 0.200 583 K C -0.398 176.192 176.600 -0.016 0.000 1.030 583 K CA 0.140 56.431 56.287 0.006 0.000 1.097 583 K CB 0.530 33.034 32.500 0.006 0.000 0.862 583 K HN 0.654 nan 8.250 nan 0.000 0.534 584 K N -0.778 119.608 120.400 -0.024 0.000 2.685 584 K HA 0.224 4.558 4.320 0.023 0.000 0.290 584 K C -2.091 174.487 176.600 -0.036 0.000 1.018 584 K CA -1.023 55.233 56.287 -0.053 0.000 0.860 584 K CB 1.179 33.627 32.500 -0.086 0.000 1.498 584 K HN -0.260 nan 8.250 nan 0.000 0.390 585 D N 1.337 121.708 120.400 -0.049 0.000 2.375 585 D HA 0.315 4.968 4.640 0.023 0.000 0.241 585 D C -2.198 174.082 176.300 -0.035 0.000 1.361 585 D CA -2.024 51.967 54.000 -0.015 0.000 0.995 585 D CB 2.127 42.940 40.800 0.022 0.000 1.312 585 D HN 0.251 nan 8.370 nan 0.000 0.576 586 P HA -0.091 nan 4.420 nan 0.000 0.225 586 P C 1.281 178.568 177.300 -0.023 0.000 1.148 586 P CA 0.791 63.857 63.100 -0.056 0.000 0.779 586 P CB 0.208 31.888 31.700 -0.034 0.000 0.780 587 S N -1.147 114.574 115.700 0.035 0.000 2.507 587 S HA -0.044 4.440 4.470 0.023 0.000 0.235 587 S C 1.649 176.330 174.600 0.136 0.000 0.988 587 S CA 0.682 58.940 58.200 0.096 0.000 0.944 587 S CB -1.370 61.913 63.200 0.138 0.000 0.762 587 S HN 0.141 nan 8.310 nan 0.000 0.526 588 L N 1.220 122.483 121.223 0.066 0.000 2.492 588 L HA 0.198 4.551 4.340 0.023 0.000 0.223 588 L C 1.476 178.233 176.870 -0.187 0.000 1.132 588 L CA 0.141 55.009 54.840 0.047 0.000 0.850 588 L CB -0.339 41.733 42.059 0.021 0.000 0.966 588 L HN 0.299 nan 8.230 nan 0.000 0.454 589 S N -0.268 115.301 115.700 -0.218 0.000 2.562 589 S HA 0.278 4.762 4.470 0.023 0.000 0.275 589 S C 1.138 175.608 174.600 -0.217 0.000 1.281 589 S CA -0.617 57.403 58.200 -0.301 0.000 1.045 589 S CB 1.170 64.196 63.200 -0.290 0.000 0.962 589 S HN 0.171 nan 8.310 nan 0.000 0.503 590 L N 3.532 124.537 121.223 -0.363 0.000 2.141 590 L HA -0.019 4.335 4.340 0.023 0.000 0.209 590 L C 0.828 177.398 176.870 -0.501 0.000 1.094 590 L CA 1.196 55.711 54.840 -0.542 0.000 0.763 590 L CB -0.290 41.119 42.059 -1.083 0.000 0.908 590 L HN 0.762 nan 8.230 nan 0.000 0.437 591 Y N -2.354 117.942 120.300 -0.005 0.000 2.432 591 Y HA 0.334 4.898 4.550 0.023 0.000 0.252 591 Y C 2.129 178.052 175.900 0.039 0.000 1.097 591 Y CA -0.200 57.950 58.100 0.084 0.000 1.250 591 Y CB -0.414 38.136 38.460 0.150 0.000 1.245 591 Y HN -0.058 nan 8.280 nan 0.000 0.522 592 A N 0.531 123.375 122.820 0.039 0.000 1.940 592 A HA -0.048 4.286 4.320 0.023 0.000 0.219 592 A C 0.931 178.549 177.584 0.056 0.000 1.176 592 A CA 1.146 53.181 52.037 -0.004 0.000 0.631 592 A CB -0.471 18.468 19.000 -0.103 0.000 0.814 592 A HN 0.184 nan 8.150 nan 0.000 0.446 593 I N 1.587 122.198 120.570 0.069 0.000 2.354 593 I HA 0.234 4.418 4.170 0.023 0.000 0.286 593 I C -2.451 173.737 176.117 0.120 0.000 1.007 593 I CA -2.229 59.118 61.300 0.079 0.000 1.167 593 I CB 0.993 39.029 38.000 0.059 0.000 1.320 593 I HN 0.083 nan 8.210 nan 0.000 0.458 594 P HA 0.008 nan 4.420 nan 0.000 0.261 594 P C -0.302 177.074 177.300 0.126 0.000 1.173 594 P CA 0.374 63.566 63.100 0.154 0.000 0.760 594 P CB 0.639 32.413 31.700 0.122 0.000 0.783 595 D N 1.285 121.769 120.400 0.141 0.000 2.822 595 D HA 0.129 4.783 4.640 0.023 0.000 0.327 595 D C 0.515 176.877 176.300 0.103 0.000 1.577 595 D CA -0.479 53.586 54.000 0.107 0.000 0.785 595 D CB -0.424 40.436 40.800 0.100 0.000 1.199 595 D HN 0.311 nan 8.370 nan 0.000 0.443 596 G N 0.022 108.890 108.800 0.114 0.000 2.594 596 G HA2 0.383 4.357 3.960 0.023 0.000 0.243 596 G HA3 0.383 4.357 3.960 0.023 0.000 0.243 596 G C -0.687 174.250 174.900 0.062 0.000 1.229 596 G CA -0.062 45.099 45.100 0.102 0.000 0.843 596 G HN 0.196 nan 8.290 nan 0.000 0.578 597 D N -0.018 120.410 120.400 0.047 0.000 2.891 597 D HA 0.170 4.824 4.640 0.023 0.000 0.224 597 D C 0.808 177.116 176.300 0.014 0.000 1.321 597 D CA -0.515 53.498 54.000 0.023 0.000 0.929 597 D CB 1.713 42.521 40.800 0.012 0.000 1.551 597 D HN 0.339 nan 8.370 nan 0.000 0.574 598 V N 1.672 121.586 119.914 0.001 0.000 3.406 598 V HA 0.268 4.402 4.120 0.023 0.000 0.263 598 V C 1.066 177.137 176.094 -0.038 0.000 1.172 598 V CA 0.068 62.363 62.300 -0.007 0.000 1.140 598 V CB -0.667 31.147 31.823 -0.015 0.000 0.784 598 V HN 0.413 nan 8.190 nan 0.000 0.467 599 K N 1.358 121.729 120.400 -0.049 0.000 2.472 599 K HA 0.364 4.698 4.320 0.023 0.000 0.280 599 K C 1.279 177.827 176.600 -0.086 0.000 1.028 599 K CA 1.111 57.345 56.287 -0.088 0.000 1.045 599 K CB 0.096 32.551 32.500 -0.074 0.000 0.902 599 K HN 0.681 nan 8.250 nan 0.000 0.478 600 G N 3.286 111.995 108.800 -0.152 0.000 2.234 600 G HA2 -0.205 3.769 3.960 0.023 0.000 0.235 600 G HA3 -0.205 3.769 3.960 0.023 0.000 0.235 600 G C 0.150 175.075 174.900 0.041 0.000 0.997 600 G CA -0.329 44.751 45.100 -0.033 0.000 0.623 600 G HN 0.553 nan 8.290 nan 0.000 0.514 601 R N -0.080 120.417 120.500 -0.004 0.000 2.738 601 R HA 0.675 5.029 4.340 0.023 0.000 0.275 601 R C 0.079 176.426 176.300 0.078 0.000 1.121 601 R CA 0.068 56.200 56.100 0.054 0.000 1.207 601 R CB 0.725 31.049 30.300 0.040 0.000 1.141 601 R HN 0.736 nan 8.270 nan 0.000 0.571 602 V N 0.191 120.172 119.914 0.113 0.000 2.888 602 V HA 0.413 4.547 4.120 0.023 0.000 0.309 602 V C -1.226 174.933 176.094 0.108 0.000 1.114 602 V CA -0.731 61.653 62.300 0.140 0.000 0.940 602 V CB 2.541 34.477 31.823 0.189 0.000 1.021 602 V HN 0.341 nan 8.190 nan 0.000 0.426 603 V N 5.721 125.693 119.914 0.097 0.000 2.495 603 V HA 0.775 4.909 4.120 0.023 0.000 0.298 603 V C 0.553 176.703 176.094 0.092 0.000 1.031 603 V CA -0.192 62.156 62.300 0.080 0.000 0.871 603 V CB 1.650 33.504 31.823 0.052 0.000 0.988 603 V HN 1.191 nan 8.190 nan 0.000 0.432 604 A N 6.435 129.317 122.820 0.104 0.000 2.409 604 A HA 0.690 5.024 4.320 0.023 0.000 0.262 604 A C -0.305 177.290 177.584 0.019 0.000 1.113 604 A CA -0.111 51.972 52.037 0.076 0.000 0.790 604 A CB -0.067 19.004 19.000 0.118 0.000 1.046 604 A HN 0.760 nan 8.150 nan 0.000 0.496 605 I N 3.687 124.263 120.570 0.010 0.000 2.355 605 I HA 0.213 4.397 4.170 0.023 0.000 0.288 605 I C -0.601 175.518 176.117 0.004 0.000 0.999 605 I CA -0.295 61.011 61.300 0.010 0.000 1.163 605 I CB 1.407 39.426 38.000 0.032 0.000 1.316 605 I HN 0.488 nan 8.210 nan 0.000 0.454 606 L N 7.191 128.402 121.223 -0.021 0.000 2.268 606 L HA 0.435 4.789 4.340 0.023 0.000 0.289 606 L C 0.042 177.002 176.870 0.150 0.000 1.064 606 L CA -0.360 54.518 54.840 0.063 0.000 0.824 606 L CB 0.290 42.237 42.059 -0.186 0.000 1.202 606 L HN 0.439 nan 8.230 nan 0.000 0.433 607 L N 3.460 124.825 121.223 0.237 0.000 2.468 607 L HA 0.339 4.693 4.340 0.023 0.000 0.254 607 L C 0.153 177.185 176.870 0.271 0.000 1.171 607 L CA -0.396 54.531 54.840 0.145 0.000 0.809 607 L CB 1.037 43.087 42.059 -0.013 0.000 1.155 607 L HN 0.717 nan 8.230 nan 0.000 0.473 608 N N -2.179 116.588 118.700 0.112 0.000 2.761 608 N HA 0.223 4.977 4.740 0.023 0.000 0.283 608 N C -0.354 175.115 175.510 -0.068 0.000 1.377 608 N CA -0.748 52.407 53.050 0.176 0.000 0.791 608 N CB 0.637 39.230 38.487 0.176 0.000 1.540 608 N HN 0.524 nan 8.380 nan 0.000 0.539 609 D N -1.761 118.647 120.400 0.015 0.000 2.363 609 D HA -0.048 4.605 4.640 0.023 0.000 0.226 609 D C -0.436 175.831 176.300 -0.056 0.000 1.020 609 D CA 0.803 54.758 54.000 -0.074 0.000 0.892 609 D CB -0.061 40.770 40.800 0.052 0.000 0.900 609 D HN 0.713 nan 8.370 nan 0.000 0.531 610 E N 0.438 120.620 120.200 -0.030 0.000 3.191 610 E HA 0.190 4.554 4.350 0.023 0.000 0.303 610 E C -1.262 175.325 176.600 -0.021 0.000 1.197 610 E CA -0.317 56.067 56.400 -0.026 0.000 0.901 610 E CB 1.232 30.926 29.700 -0.010 0.000 1.446 610 E HN -0.108 nan 8.360 nan 0.000 0.385 611 V N 2.018 121.911 119.914 -0.035 0.000 2.715 611 V HA 0.137 4.271 4.120 0.023 0.000 0.299 611 V C 0.919 176.997 176.094 -0.027 0.000 1.054 611 V CA 0.024 62.309 62.300 -0.026 0.000 1.077 611 V CB 1.124 32.926 31.823 -0.036 0.000 0.972 611 V HN 0.449 nan 8.190 nan 0.000 0.484 612 R N 2.882 123.366 120.500 -0.026 0.000 2.357 612 R HA 0.052 4.405 4.340 0.023 0.000 0.330 612 R C 1.524 177.802 176.300 -0.036 0.000 1.102 612 R CA 0.487 56.567 56.100 -0.033 0.000 0.974 612 R CB 0.415 30.691 30.300 -0.041 0.000 1.002 612 R HN 1.010 nan 8.270 nan 0.000 0.463 613 S N 3.371 119.052 115.700 -0.032 0.000 2.399 613 S HA -0.198 4.285 4.470 0.023 0.000 0.231 613 S C 1.990 176.572 174.600 -0.030 0.000 1.022 613 S CA 0.900 59.082 58.200 -0.029 0.000 0.983 613 S CB -0.077 63.108 63.200 -0.026 0.000 0.803 613 S HN 0.669 nan 8.310 nan 0.000 0.480 614 A N 2.303 125.102 122.820 -0.034 0.000 1.902 614 A HA -0.135 4.199 4.320 0.023 0.000 0.217 614 A C 1.977 179.533 177.584 -0.047 0.000 1.181 614 A CA 1.794 53.809 52.037 -0.036 0.000 0.623 614 A CB -1.060 17.917 19.000 -0.037 0.000 0.818 614 A HN 0.467 nan 8.150 nan 0.000 0.443 615 D N -0.286 120.075 120.400 -0.065 0.000 2.116 615 D HA -0.149 4.504 4.640 0.023 0.000 0.193 615 D C 1.868 178.134 176.300 -0.056 0.000 0.998 615 D CA 0.956 54.900 54.000 -0.092 0.000 0.836 615 D CB -0.292 40.440 40.800 -0.112 0.000 0.951 615 D HN 0.315 nan 8.370 nan 0.000 0.449 616 L N 0.337 121.539 121.223 -0.036 0.000 2.093 616 L HA -0.105 4.249 4.340 0.023 0.000 0.208 616 L C 2.341 179.207 176.870 -0.007 0.000 1.085 616 L CA 0.795 55.626 54.840 -0.015 0.000 0.755 616 L CB -0.353 41.697 42.059 -0.015 0.000 0.904 616 L HN 0.138 nan 8.230 nan 0.000 0.435 617 L N -0.346 120.869 121.223 -0.013 0.000 2.012 617 L HA -0.236 4.118 4.340 0.023 0.000 0.210 617 L C 2.809 179.679 176.870 -0.000 0.000 1.073 617 L CA 1.447 56.283 54.840 -0.006 0.000 0.748 617 L CB -0.653 41.400 42.059 -0.010 0.000 0.891 617 L HN 0.297 nan 8.230 nan 0.000 0.431 618 A N 0.074 122.891 122.820 -0.005 0.000 1.898 618 A HA -0.156 4.178 4.320 0.023 0.000 0.216 618 A C 2.174 179.775 177.584 0.029 0.000 1.181 618 A CA 1.332 53.373 52.037 0.006 0.000 0.620 618 A CB -0.587 18.409 19.000 -0.006 0.000 0.819 618 A HN 0.338 nan 8.150 nan 0.000 0.442 619 I N -0.205 120.385 120.570 0.033 0.000 2.127 619 I HA -0.292 3.892 4.170 0.023 0.000 0.241 619 I C 2.424 178.572 176.117 0.050 0.000 1.075 619 I CA 1.408 62.749 61.300 0.069 0.000 1.334 619 I CB -0.436 37.608 38.000 0.073 0.000 1.040 619 I HN 0.287 nan 8.210 nan 0.000 0.405 620 L N 0.325 121.568 121.223 0.034 0.000 2.093 620 L HA -0.214 4.140 4.340 0.023 0.000 0.208 620 L C 2.616 179.501 176.870 0.024 0.000 1.085 620 L CA 1.406 56.264 54.840 0.030 0.000 0.755 620 L CB -0.564 41.509 42.059 0.024 0.000 0.904 620 L HN 0.232 nan 8.230 nan 0.000 0.435 621 K N 0.231 120.643 120.400 0.020 0.000 2.097 621 K HA -0.124 4.210 4.320 0.023 0.000 0.205 621 K C 2.183 178.793 176.600 0.016 0.000 1.050 621 K CA 1.098 57.395 56.287 0.015 0.000 0.938 621 K CB -0.032 32.475 32.500 0.012 0.000 0.718 621 K HN 0.254 nan 8.250 nan 0.000 0.442 622 A N 1.171 124.006 122.820 0.025 0.000 1.933 622 A HA -0.141 4.193 4.320 0.023 0.000 0.218 622 A C 2.040 179.630 177.584 0.011 0.000 1.175 622 A CA 1.214 53.265 52.037 0.024 0.000 0.628 622 A CB -0.526 18.500 19.000 0.044 0.000 0.814 622 A HN 0.270 nan 8.150 nan 0.000 0.444 623 L N -0.892 120.339 121.223 0.013 0.000 2.027 623 L HA -0.152 4.202 4.340 0.023 0.000 0.206 623 L C 2.696 179.552 176.870 -0.024 0.000 1.074 623 L CA 1.554 56.392 54.840 -0.004 0.000 0.745 623 L CB -0.481 41.585 42.059 0.011 0.000 0.898 623 L HN 0.347 nan 8.230 nan 0.000 0.433 624 K N 0.666 121.061 120.400 -0.008 0.000 2.063 624 K HA -0.204 4.130 4.320 0.023 0.000 0.208 624 K C 2.022 178.608 176.600 -0.022 0.000 1.048 624 K CA 1.597 57.877 56.287 -0.012 0.000 0.928 624 K CB -0.108 32.396 32.500 0.007 0.000 0.713 624 K HN 0.284 nan 8.250 nan 0.000 0.442 625 A N 1.219 124.031 122.820 -0.013 0.000 1.978 625 A HA -0.127 4.207 4.320 0.023 0.000 0.220 625 A C 1.669 179.238 177.584 -0.025 0.000 1.170 625 A CA 1.452 53.481 52.037 -0.013 0.000 0.636 625 A CB -0.095 18.903 19.000 -0.005 0.000 0.810 625 A HN 0.168 nan 8.150 nan 0.000 0.448 626 K N -1.452 118.926 120.400 -0.036 0.000 2.358 626 K HA 0.229 4.563 4.320 0.023 0.000 0.197 626 K C 0.942 177.493 176.600 -0.080 0.000 1.025 626 K CA 0.597 56.857 56.287 -0.046 0.000 1.104 626 K CB -0.051 32.427 32.500 -0.038 0.000 0.855 626 K HN 0.753 nan 8.250 nan 0.000 0.531 627 G N 1.540 110.277 108.800 -0.105 0.000 2.176 627 G HA2 -0.231 3.743 3.960 0.023 0.000 0.252 627 G HA3 -0.231 3.743 3.960 0.023 0.000 0.252 627 G C 0.013 174.708 174.900 -0.342 0.000 1.024 627 G CA 0.235 45.225 45.100 -0.183 0.000 0.755 627 G HN 0.111 nan 8.290 nan 0.000 0.507 628 V N 0.663 120.421 119.914 -0.259 0.000 2.439 628 V HA 0.500 4.634 4.120 0.023 0.000 0.282 628 V C 0.781 176.711 176.094 -0.273 0.000 1.039 628 V CA -0.819 61.322 62.300 -0.265 0.000 0.913 628 V CB 1.151 32.914 31.823 -0.100 0.000 0.983 628 V HN 0.455 nan 8.190 nan 0.000 0.460 629 H N 1.753 120.835 119.070 0.019 0.000 2.508 629 H HA 0.752 5.322 4.556 0.023 0.000 0.358 629 H C 0.218 175.566 175.328 0.033 0.000 1.212 629 H CA 0.113 56.175 56.048 0.023 0.000 1.356 629 H CB 1.139 30.917 29.762 0.025 0.000 1.525 629 H HN 0.851 nan 8.280 nan 0.000 0.578 630 A N 1.043 123.968 122.820 0.175 0.000 2.435 630 A HA 0.523 4.857 4.320 0.023 0.000 0.304 630 A C -1.096 176.545 177.584 0.094 0.000 1.064 630 A CA -1.058 51.044 52.037 0.108 0.000 0.727 630 A CB 1.102 20.148 19.000 0.076 0.000 1.284 630 A HN 0.783 nan 8.150 nan 0.000 0.415 631 K N 2.415 122.865 120.400 0.083 0.000 2.376 631 K HA 0.674 5.007 4.320 0.023 0.000 0.257 631 K C -1.411 175.217 176.600 0.047 0.000 0.939 631 K CA -0.516 55.810 56.287 0.065 0.000 0.809 631 K CB 1.523 34.070 32.500 0.078 0.000 1.121 631 K HN 0.510 nan 8.250 nan 0.000 0.425 632 L N 4.348 125.590 121.223 0.031 0.000 2.315 632 L HA 0.239 4.593 4.340 0.023 0.000 0.283 632 L C -0.677 176.200 176.870 0.012 0.000 1.089 632 L CA -0.893 53.958 54.840 0.019 0.000 0.833 632 L CB 0.253 42.314 42.059 0.003 0.000 1.170 632 L HN 0.482 nan 8.230 nan 0.000 0.442 633 L N 4.542 125.781 121.223 0.026 0.000 2.333 633 L HA 0.605 4.959 4.340 0.023 0.000 0.269 633 L C -0.442 176.394 176.870 -0.055 0.000 1.010 633 L CA -0.476 54.352 54.840 -0.021 0.000 0.818 633 L CB 1.526 43.602 42.059 0.028 0.000 1.306 633 L HN 0.331 nan 8.230 nan 0.000 0.430 634 Y N -0.844 119.057 120.300 -0.665 0.000 2.840 634 Y HA 0.286 4.850 4.550 0.023 0.000 0.324 634 Y C 0.923 176.039 175.900 -1.305 0.000 1.378 634 Y CA -0.594 56.987 58.100 -0.865 0.000 1.077 634 Y CB 1.478 39.747 38.460 -0.319 0.000 1.361 634 Y HN 0.559 nan 8.280 nan 0.000 0.459 635 S N 0.555 115.377 115.700 -1.464 0.000 2.558 635 S HA 0.233 4.717 4.470 0.023 0.000 0.217 635 S C 0.108 174.419 174.600 -0.482 0.000 0.975 635 S CA 0.387 58.067 58.200 -0.867 0.000 0.912 635 S CB -0.079 62.754 63.200 -0.611 0.000 0.776 635 S HN 0.604 nan 8.310 nan 0.000 0.526 636 R N -1.138 119.146 120.500 -0.360 0.000 2.781 636 R HA 0.626 4.980 4.340 0.023 0.000 0.269 636 R C -0.729 175.556 176.300 -0.026 0.000 1.025 636 R CA -1.101 54.925 56.100 -0.123 0.000 0.914 636 R CB 0.528 30.799 30.300 -0.048 0.000 1.236 636 R HN -0.085 nan 8.270 nan 0.000 0.465 637 M N 0.189 119.780 119.600 -0.016 0.000 2.012 637 M HA 0.488 4.982 4.480 0.023 0.000 0.248 637 M C 1.005 177.319 176.300 0.023 0.000 1.238 637 M CA 1.011 56.311 55.300 -0.000 0.000 0.980 637 M CB 0.435 33.028 32.600 -0.011 0.000 1.346 637 M HN 1.061 nan 8.290 nan 0.000 0.511 638 G N 0.803 109.608 108.800 0.009 0.000 2.594 638 G HA2 -0.120 3.854 3.960 0.023 0.000 0.217 638 G HA3 -0.120 3.854 3.960 0.023 0.000 0.217 638 G C -0.947 173.947 174.900 -0.010 0.000 1.163 638 G CA -0.485 44.617 45.100 0.004 0.000 1.074 638 G HN 0.617 nan 8.290 nan 0.000 0.589 639 E N -1.079 119.109 120.200 -0.020 0.000 2.392 639 E HA 0.638 5.002 4.350 0.023 0.000 0.269 639 E C -0.344 176.197 176.600 -0.098 0.000 0.924 639 E CA -0.501 55.866 56.400 -0.054 0.000 0.784 639 E CB 2.926 32.601 29.700 -0.042 0.000 1.292 639 E HN 1.204 nan 8.360 nan 0.000 0.447 640 V N -1.913 117.906 119.914 -0.158 0.000 3.074 640 V HA 0.719 4.853 4.120 0.023 0.000 0.314 640 V C -0.442 175.576 176.094 -0.127 0.000 1.117 640 V CA -0.703 61.476 62.300 -0.201 0.000 1.014 640 V CB 1.949 33.532 31.823 -0.400 0.000 1.057 640 V HN 0.609 nan 8.190 nan 0.000 0.438 641 T N 2.426 116.919 114.554 -0.103 0.000 2.779 641 T HA 0.770 5.134 4.350 0.023 0.000 0.280 641 T C 0.259 174.920 174.700 -0.065 0.000 0.987 641 T CA 0.263 62.322 62.100 -0.068 0.000 0.966 641 T CB 1.312 70.152 68.868 -0.046 0.000 0.933 641 T HN 1.324 nan 8.240 nan 0.000 0.442 642 A N 2.444 125.232 122.820 -0.054 0.000 2.296 642 A HA 0.400 4.734 4.320 0.023 0.000 0.264 642 A C 1.632 179.196 177.584 -0.034 0.000 1.097 642 A CA -0.384 51.626 52.037 -0.046 0.000 0.811 642 A CB 0.103 19.079 19.000 -0.040 0.000 1.072 642 A HN 0.918 nan 8.150 nan 0.000 0.495 643 D N 0.399 120.781 120.400 -0.029 0.000 2.170 643 D HA -0.251 4.403 4.640 0.023 0.000 0.193 643 D C 0.646 176.934 176.300 -0.021 0.000 1.004 643 D CA 1.943 55.930 54.000 -0.023 0.000 0.860 643 D CB -0.406 40.381 40.800 -0.022 0.000 0.931 643 D HN 0.624 nan 8.370 nan 0.000 0.448 644 D N -1.491 118.896 120.400 -0.022 0.000 2.358 644 D HA 0.209 4.863 4.640 0.023 0.000 0.224 644 D C 1.558 177.847 176.300 -0.018 0.000 1.123 644 D CA 0.397 54.386 54.000 -0.018 0.000 0.833 644 D CB -0.213 40.577 40.800 -0.018 0.000 0.946 644 D HN 0.448 nan 8.370 nan 0.000 0.505 645 G N 0.152 108.939 108.800 -0.021 0.000 2.179 645 G HA2 -0.279 3.694 3.960 0.023 0.000 0.260 645 G HA3 -0.279 3.694 3.960 0.023 0.000 0.260 645 G C 0.411 175.298 174.900 -0.023 0.000 0.977 645 G CA 0.393 45.481 45.100 -0.021 0.000 0.641 645 G HN 0.445 nan 8.290 nan 0.000 0.533 646 T N 1.066 115.605 114.554 -0.024 0.000 2.888 646 T HA 0.404 4.768 4.350 0.023 0.000 0.301 646 T C 0.714 175.395 174.700 -0.032 0.000 1.001 646 T CA -0.001 62.084 62.100 -0.025 0.000 1.147 646 T CB 2.056 70.910 68.868 -0.023 0.000 0.931 646 T HN 0.398 nan 8.240 nan 0.000 0.541 647 V N 5.596 125.492 119.914 -0.029 0.000 2.408 647 V HA 0.164 4.298 4.120 0.023 0.000 0.267 647 V C -0.131 175.940 176.094 -0.038 0.000 1.047 647 V CA -0.663 61.616 62.300 -0.035 0.000 0.937 647 V CB 0.554 32.361 31.823 -0.026 0.000 0.999 647 V HN 0.554 nan 8.190 nan 0.000 0.472 648 L N 9.356 130.546 121.223 -0.055 0.000 2.262 648 L HA 0.495 4.849 4.340 0.023 0.000 0.288 648 L C -2.163 174.673 176.870 -0.058 0.000 1.035 648 L CA -2.611 52.195 54.840 -0.057 0.000 0.820 648 L CB 1.062 43.075 42.059 -0.077 0.000 1.204 648 L HN 0.416 nan 8.230 nan 0.000 0.424 649 P HA 0.300 nan 4.420 nan 0.000 0.280 649 P C -0.333 176.949 177.300 -0.029 0.000 1.244 649 P CA -0.278 62.804 63.100 -0.029 0.000 0.784 649 P CB 0.931 32.621 31.700 -0.016 0.000 0.913 650 I N 2.137 122.690 120.570 -0.028 0.000 2.342 650 I HA 0.244 4.428 4.170 0.023 0.000 0.291 650 I C 1.525 177.635 176.117 -0.011 0.000 1.010 650 I CA -0.348 60.939 61.300 -0.021 0.000 1.308 650 I CB 1.396 39.390 38.000 -0.010 0.000 1.400 650 I HN 0.369 nan 8.210 nan 0.000 0.488 651 A N 5.274 128.090 122.820 -0.006 0.000 1.935 651 A HA 0.584 4.918 4.320 0.023 0.000 0.214 651 A C 0.958 178.542 177.584 0.001 0.000 1.178 651 A CA 1.181 53.220 52.037 0.003 0.000 0.640 651 A CB 0.037 19.047 19.000 0.017 0.000 0.825 651 A HN 0.819 nan 8.150 nan 0.000 0.447 652 A N -1.986 120.827 122.820 -0.012 0.000 2.586 652 A HA 0.557 4.891 4.320 0.023 0.000 0.291 652 A C -0.041 177.498 177.584 -0.077 0.000 1.062 652 A CA 0.060 52.087 52.037 -0.016 0.000 0.666 652 A CB -0.269 18.748 19.000 0.028 0.000 1.281 652 A HN 0.796 nan 8.150 nan 0.000 0.421 653 T N -1.356 113.143 114.554 -0.093 0.000 2.816 653 T HA 0.540 4.904 4.350 0.023 0.000 0.282 653 T C 0.969 175.599 174.700 -0.116 0.000 0.993 653 T CA 0.181 62.150 62.100 -0.218 0.000 0.994 653 T CB 0.015 68.788 68.868 -0.158 0.000 1.025 653 T HN 0.491 nan 8.240 nan 0.000 0.529 654 F N 0.460 120.427 119.950 0.029 0.000 2.126 654 F HA 0.014 4.554 4.527 0.023 0.000 0.299 654 F C 2.937 178.865 175.800 0.213 0.000 1.096 654 F CA 0.926 58.991 58.000 0.109 0.000 1.255 654 F CB -0.667 38.383 39.000 0.083 0.000 0.997 654 F HN 0.695 nan 8.300 nan 0.000 0.479 655 A N 0.289 123.270 122.820 0.269 0.000 1.970 655 A HA 0.072 4.406 4.320 0.023 0.000 0.216 655 A C 2.427 180.084 177.584 0.121 0.000 1.170 655 A CA 1.312 53.454 52.037 0.175 0.000 0.645 655 A CB -1.368 17.691 19.000 0.097 0.000 0.816 655 A HN 0.384 nan 8.150 nan 0.000 0.447 656 G N -0.842 108.014 108.800 0.093 0.000 2.448 656 G HA2 0.273 4.247 3.960 0.023 0.000 0.218 656 G HA3 0.273 4.247 3.960 0.023 0.000 0.218 656 G C 0.651 175.604 174.900 0.088 0.000 1.135 656 G CA 0.980 46.118 45.100 0.063 0.000 0.784 656 G HN 1.081 nan 8.290 nan 0.000 0.543 657 A N 0.639 123.548 122.820 0.149 0.000 3.082 657 A HA 0.700 5.034 4.320 0.023 0.000 0.328 657 A C -2.750 175.005 177.584 0.285 0.000 1.089 657 A CA -1.094 51.049 52.037 0.176 0.000 0.802 657 A CB 1.298 20.396 19.000 0.164 0.000 1.138 657 A HN 0.086 nan 8.150 nan 0.000 0.474 658 P HA 0.081 nan 4.420 nan 0.000 0.271 658 P C 1.336 178.500 177.300 -0.227 0.000 1.233 658 P CA 0.195 63.267 63.100 -0.046 0.000 0.789 658 P CB 0.821 32.474 31.700 -0.079 0.000 0.951 659 S N 0.758 115.986 115.700 -0.787 0.000 2.469 659 S HA -0.134 4.350 4.470 0.023 0.000 0.238 659 S C 1.727 176.185 174.600 -0.236 0.000 0.998 659 S CA 0.942 58.786 58.200 -0.594 0.000 0.957 659 S CB -1.362 61.358 63.200 -0.800 0.000 0.764 659 S HN 0.334 nan 8.310 nan 0.000 0.514 660 L N 1.888 122.979 121.223 -0.221 0.000 2.197 660 L HA -0.110 4.244 4.340 0.023 0.000 0.215 660 L C 2.858 179.552 176.870 -0.293 0.000 1.095 660 L CA 1.641 56.344 54.840 -0.229 0.000 0.764 660 L CB -1.526 40.370 42.059 -0.271 0.000 0.897 660 L HN 0.635 nan 8.230 nan 0.000 0.436 661 T N -3.257 111.198 114.554 -0.164 0.000 3.107 661 T HA 0.272 4.636 4.350 0.023 0.000 0.249 661 T C 0.324 175.124 174.700 0.168 0.000 1.096 661 T CA 0.119 62.201 62.100 -0.030 0.000 1.012 661 T CB -0.279 68.668 68.868 0.131 0.000 0.977 661 T HN 0.161 nan 8.240 nan 0.000 0.527 662 V N -2.805 117.165 119.914 0.093 0.000 3.126 662 V HA 0.591 4.725 4.120 0.023 0.000 0.314 662 V C -0.281 175.862 176.094 0.082 0.000 1.138 662 V CA -0.958 61.422 62.300 0.133 0.000 1.034 662 V CB 2.221 34.140 31.823 0.159 0.000 1.075 662 V HN -0.015 nan 8.190 nan 0.000 0.442 663 D N 0.971 121.421 120.400 0.083 0.000 2.366 663 D HA 0.513 5.167 4.640 0.023 0.000 0.205 663 D C 0.539 176.825 176.300 -0.023 0.000 1.022 663 D CA 1.450 55.472 54.000 0.037 0.000 0.868 663 D CB 1.565 42.409 40.800 0.073 0.000 0.953 663 D HN 1.004 nan 8.370 nan 0.000 0.514 664 A N 0.069 122.891 122.820 0.005 0.000 2.601 664 A HA 0.547 4.881 4.320 0.023 0.000 0.291 664 A C -1.592 176.009 177.584 0.029 0.000 1.075 664 A CA -0.546 51.480 52.037 -0.018 0.000 0.671 664 A CB 1.474 20.448 19.000 -0.043 0.000 1.277 664 A HN -0.113 nan 8.150 nan 0.000 0.417 665 V N 0.968 120.891 119.914 0.014 0.000 2.638 665 V HA 0.593 4.727 4.120 0.023 0.000 0.306 665 V C -0.741 175.357 176.094 0.006 0.000 1.052 665 V CA -0.227 62.095 62.300 0.036 0.000 0.885 665 V CB 1.600 33.463 31.823 0.067 0.000 0.999 665 V HN 0.702 nan 8.190 nan 0.000 0.424 666 I N 4.071 124.652 120.570 0.019 0.000 2.436 666 I HA 0.516 4.700 4.170 0.023 0.000 0.289 666 I C -0.851 175.289 176.117 0.038 0.000 1.010 666 I CA -0.938 60.401 61.300 0.065 0.000 1.098 666 I CB 2.303 40.375 38.000 0.120 0.000 1.266 666 I HN 0.292 nan 8.210 nan 0.000 0.434 667 V N 7.624 127.573 119.914 0.058 0.000 2.313 667 V HA 0.324 4.458 4.120 0.023 0.000 0.278 667 V C -2.060 174.086 176.094 0.087 0.000 1.017 667 V CA -1.558 60.763 62.300 0.035 0.000 0.823 667 V CB 0.864 32.679 31.823 -0.014 0.000 1.010 667 V HN 0.556 nan 8.190 nan 0.000 0.443 671 N N 1.563 120.278 118.700 0.025 0.000 2.819 671 N HA 0.075 4.829 4.740 0.023 0.000 0.284 671 N C 1.217 176.759 175.510 0.053 0.000 1.196 671 N CA -0.559 52.510 53.050 0.032 0.000 1.114 671 N CB -0.061 38.447 38.487 0.035 0.000 1.437 671 N HN 0.283 nan 8.380 nan 0.000 0.518 672 I N 1.733 122.324 120.570 0.035 0.000 2.423 672 I HA -0.229 3.955 4.170 0.023 0.000 0.254 672 I C 2.378 178.495 176.117 -0.000 0.000 1.151 672 I CA 0.761 62.082 61.300 0.035 0.000 1.421 672 I CB -1.444 36.541 38.000 -0.026 0.000 1.079 672 I HN 0.462 nan 8.210 nan 0.000 0.431 673 A N 0.488 123.301 122.820 -0.011 0.000 2.070 673 A HA -0.260 4.074 4.320 0.023 0.000 0.220 673 A C 2.055 179.656 177.584 0.028 0.000 1.159 673 A CA 1.872 53.899 52.037 -0.017 0.000 0.656 673 A CB -0.683 18.308 19.000 -0.015 0.000 0.800 673 A HN 0.418 nan 8.150 nan 0.000 0.453 674 D N 0.285 120.728 120.400 0.072 0.000 2.182 674 D HA -0.144 4.510 4.640 0.023 0.000 0.201 674 D C 1.471 177.855 176.300 0.140 0.000 0.986 674 D CA 1.744 55.815 54.000 0.118 0.000 0.847 674 D CB -0.158 40.748 40.800 0.176 0.000 0.942 674 D HN 0.652 nan 8.370 nan 0.000 0.467 675 I N -4.395 116.272 120.570 0.162 0.000 4.240 675 I HA 0.489 4.673 4.170 0.023 0.000 0.331 675 I C 1.781 178.017 176.117 0.198 0.000 1.381 675 I CA -0.151 61.272 61.300 0.205 0.000 1.136 675 I CB 0.175 38.344 38.000 0.281 0.000 1.137 675 I HN -0.105 nan 8.210 nan 0.000 0.411 676 A N 1.272 124.130 122.820 0.063 0.000 2.019 676 A HA -0.135 4.198 4.320 0.023 0.000 0.219 676 A C 1.640 179.209 177.584 -0.025 0.000 1.164 676 A CA 1.905 53.864 52.037 -0.131 0.000 0.644 676 A CB -0.400 18.443 19.000 -0.261 0.000 0.805 676 A HN 0.487 nan 8.150 nan 0.000 0.449 677 D N -0.978 119.436 120.400 0.022 0.000 2.431 677 D HA 0.027 4.681 4.640 0.023 0.000 0.213 677 D C -0.077 176.252 176.300 0.049 0.000 1.130 677 D CA -0.170 53.844 54.000 0.023 0.000 0.834 677 D CB -0.095 40.709 40.800 0.006 0.000 0.985 677 D HN 0.317 nan 8.370 nan 0.000 0.504 678 N N 1.103 119.849 118.700 0.077 0.000 2.420 678 N HA 0.023 4.777 4.740 0.023 0.000 0.262 678 N C 1.339 176.891 175.510 0.070 0.000 1.144 678 N CA 0.087 53.183 53.050 0.078 0.000 0.952 678 N CB 1.495 40.046 38.487 0.106 0.000 1.081 678 N HN -0.012 nan 8.380 nan 0.000 0.480 679 G N 3.464 112.303 108.800 0.065 0.000 2.446 679 G HA2 -0.274 3.700 3.960 0.023 0.000 0.217 679 G HA3 -0.274 3.700 3.960 0.023 0.000 0.217 679 G C 0.963 175.919 174.900 0.093 0.000 1.168 679 G CA 0.607 45.748 45.100 0.068 0.000 0.771 679 G HN 0.608 nan 8.290 nan 0.000 0.551 680 D N 1.036 121.499 120.400 0.106 0.000 2.123 680 D HA -0.075 4.579 4.640 0.023 0.000 0.196 680 D C 2.795 179.108 176.300 0.021 0.000 0.992 680 D CA 1.329 55.424 54.000 0.159 0.000 0.833 680 D CB -0.531 40.432 40.800 0.272 0.000 0.954 680 D HN 0.323 nan 8.370 nan 0.000 0.455 681 A N 1.093 123.766 122.820 -0.244 0.000 1.877 681 A HA -0.205 4.129 4.320 0.023 0.000 0.216 681 A C 2.046 179.440 177.584 -0.317 0.000 1.186 681 A CA 1.400 53.056 52.037 -0.635 0.000 0.620 681 A CB -0.541 18.057 19.000 -0.670 0.000 0.822 681 A HN 0.158 nan 8.150 nan 0.000 0.443 682 N N -1.501 117.157 118.700 -0.070 0.000 2.069 682 N HA -0.199 4.555 4.740 0.023 0.000 0.191 682 N C 1.714 177.214 175.510 -0.016 0.000 1.031 682 N CA 1.876 54.935 53.050 0.013 0.000 0.852 682 N CB -0.485 38.075 38.487 0.122 0.000 1.018 682 N HN 0.674 nan 8.380 nan 0.000 0.423 683 Y N 0.567 120.836 120.300 -0.051 0.000 2.274 683 Y HA -0.261 4.303 4.550 0.023 0.000 0.290 683 Y C 2.359 178.206 175.900 -0.088 0.000 1.145 683 Y CA 1.183 59.246 58.100 -0.060 0.000 1.203 683 Y CB -0.344 38.089 38.460 -0.045 0.000 0.984 683 Y HN 0.052 nan 8.280 nan 0.000 0.533 684 Y N 0.310 120.484 120.300 -0.209 0.000 2.114 684 Y HA -0.338 4.226 4.550 0.023 0.000 0.282 684 Y C 2.104 177.808 175.900 -0.326 0.000 1.165 684 Y CA 2.209 60.159 58.100 -0.250 0.000 1.148 684 Y CB -0.467 37.832 38.460 -0.267 0.000 0.972 684 Y HN 0.112 nan 8.280 nan 0.000 0.504 685 L N -1.174 119.962 121.223 -0.145 0.000 2.109 685 L HA -0.237 4.117 4.340 0.023 0.000 0.207 685 L C 2.403 179.145 176.870 -0.213 0.000 1.086 685 L CA 1.219 55.959 54.840 -0.167 0.000 0.760 685 L CB -0.497 41.433 42.059 -0.216 0.000 0.910 685 L HN 0.315 nan 8.230 nan 0.000 0.437 686 M N -0.494 118.914 119.600 -0.320 0.000 2.117 686 M HA -0.232 4.262 4.480 0.023 0.000 0.262 686 M C 2.263 178.294 176.300 -0.449 0.000 1.065 686 M CA 1.758 56.854 55.300 -0.340 0.000 1.114 686 M CB -0.306 32.080 32.600 -0.357 0.000 1.361 686 M HN 0.208 nan 8.290 nan 0.000 0.408 687 E N 0.358 120.104 120.200 -0.756 0.000 2.028 687 E HA -0.184 4.180 4.350 0.023 0.000 0.191 687 E C 1.991 178.228 176.600 -0.605 0.000 0.988 687 E CA 1.288 57.214 56.400 -0.790 0.000 0.799 687 E CB -0.002 29.207 29.700 -0.820 0.000 0.755 687 E HN 0.464 nan 8.360 nan 0.000 0.447 688 A N 0.435 123.012 122.820 -0.405 0.000 1.883 688 A HA -0.226 4.108 4.320 0.023 0.000 0.217 688 A C 2.069 179.543 177.584 -0.184 0.000 1.186 688 A CA 1.618 53.514 52.037 -0.235 0.000 0.624 688 A CB -1.048 17.871 19.000 -0.136 0.000 0.822 688 A HN 0.555 nan 8.150 nan 0.000 0.444 689 Y N 0.633 120.774 120.300 -0.266 0.000 2.070 689 Y HA -0.274 4.290 4.550 0.023 0.000 0.280 689 Y C 2.457 178.234 175.900 -0.205 0.000 1.148 689 Y CA 2.525 60.500 58.100 -0.209 0.000 1.125 689 Y CB -0.298 38.053 38.460 -0.181 0.000 0.975 689 Y HN 0.338 nan 8.280 nan 0.000 0.492 690 K N -0.679 119.596 120.400 -0.209 0.000 2.103 690 K HA -0.237 4.097 4.320 0.023 0.000 0.207 690 K C 1.205 177.698 176.600 -0.178 0.000 1.048 690 K CA 2.102 58.250 56.287 -0.231 0.000 0.930 690 K CB -0.482 31.836 32.500 -0.302 0.000 0.716 690 K HN 0.608 nan 8.250 nan 0.000 0.444 691 H N 0.287 119.237 119.070 -0.201 0.000 2.536 691 H HA 0.174 4.744 4.556 0.023 0.000 0.276 691 H C -0.023 175.148 175.328 -0.262 0.000 1.019 691 H CA 0.175 56.103 56.048 -0.199 0.000 1.159 691 H CB 0.095 29.737 29.762 -0.200 0.000 1.373 691 H HN 0.130 nan 8.280 nan 0.000 0.584 692 L N -0.081 121.001 121.223 -0.236 0.000 4.089 692 L HA -0.266 4.088 4.340 0.023 0.000 0.408 692 L C -0.294 176.320 176.870 -0.427 0.000 1.184 692 L CA 0.573 55.185 54.840 -0.380 0.000 0.947 692 L CB -1.715 40.105 42.059 -0.397 0.000 2.066 692 L HN 0.285 nan 8.230 nan 0.000 0.851 693 K N 1.006 121.217 120.400 -0.316 0.000 2.143 693 K HA 0.471 4.805 4.320 0.023 0.000 0.272 693 K C -2.092 174.368 176.600 -0.232 0.000 1.001 693 K CA -1.773 54.347 56.287 -0.279 0.000 0.915 693 K CB 0.869 33.260 32.500 -0.181 0.000 1.047 693 K HN -0.208 nan 8.250 nan 0.000 0.458 694 P HA 0.037 nan 4.420 nan 0.000 0.266 694 P C -0.749 176.483 177.300 -0.113 0.000 1.195 694 P CA 0.402 63.399 63.100 -0.171 0.000 0.768 694 P CB 0.434 32.030 31.700 -0.173 0.000 0.838 695 I N 1.571 122.087 120.570 -0.089 0.000 2.533 695 I HA 0.601 4.785 4.170 0.023 0.000 0.290 695 I C -0.368 175.704 176.117 -0.076 0.000 1.056 695 I CA -0.910 60.358 61.300 -0.054 0.000 1.057 695 I CB 2.224 40.219 38.000 -0.008 0.000 1.240 695 I HN 0.273 nan 8.210 nan 0.000 0.423 696 A N 7.653 130.436 122.820 -0.063 0.000 2.343 696 A HA 0.896 5.229 4.320 0.023 0.000 0.316 696 A C -1.114 176.571 177.584 0.168 0.000 1.104 696 A CA -0.450 51.539 52.037 -0.080 0.000 0.768 696 A CB 1.138 19.915 19.000 -0.372 0.000 1.213 696 A HN 0.677 nan 8.150 nan 0.000 0.456 697 L N 2.241 123.624 121.223 0.268 0.000 2.372 697 L HA 0.684 5.038 4.340 0.023 0.000 0.274 697 L C 0.190 177.253 176.870 0.322 0.000 0.988 697 L CA -0.541 54.458 54.840 0.266 0.000 0.833 697 L CB 1.905 44.066 42.059 0.170 0.000 1.236 697 L HN 0.791 nan 8.230 nan 0.000 0.410 698 A N 2.392 125.309 122.820 0.162 0.000 2.304 698 A HA 0.849 5.183 4.320 0.023 0.000 0.323 698 A C 0.679 178.246 177.584 -0.028 0.000 1.195 698 A CA 0.345 52.342 52.037 -0.066 0.000 0.826 698 A CB 1.162 19.938 19.000 -0.374 0.000 1.184 698 A HN 0.994 nan 8.150 nan 0.000 0.496 699 G N 2.113 110.891 108.800 -0.038 0.000 2.591 699 G HA2 -0.333 3.641 3.960 0.023 0.000 0.298 699 G HA3 -0.333 3.641 3.960 0.023 0.000 0.298 699 G C 0.481 175.381 174.900 0.000 0.000 1.195 699 G CA 0.792 45.876 45.100 -0.027 0.000 0.989 699 G HN 0.689 nan 8.290 nan 0.000 0.551 700 D N 1.415 121.812 120.400 -0.005 0.000 2.310 700 D HA 0.225 4.878 4.640 0.023 0.000 0.212 700 D C 2.589 178.892 176.300 0.006 0.000 0.965 700 D CA 1.514 55.507 54.000 -0.012 0.000 0.879 700 D CB -0.674 40.110 40.800 -0.028 0.000 0.921 700 D HN 0.816 nan 8.370 nan 0.000 0.510 701 A N 0.863 123.725 122.820 0.070 0.000 2.139 701 A HA -0.215 4.119 4.320 0.023 0.000 0.221 701 A C 2.043 179.737 177.584 0.184 0.000 1.159 701 A CA 0.953 53.106 52.037 0.194 0.000 0.662 701 A CB -0.482 18.645 19.000 0.211 0.000 0.796 701 A HN 0.162 nan 8.150 nan 0.000 0.463 702 R N -0.314 120.240 120.500 0.090 0.000 2.241 702 R HA -0.081 4.273 4.340 0.023 0.000 0.224 702 R C 1.662 177.974 176.300 0.020 0.000 1.101 702 R CA 1.269 57.411 56.100 0.071 0.000 0.995 702 R CB -0.192 30.136 30.300 0.048 0.000 0.870 702 R HN 0.527 nan 8.270 nan 0.000 0.463 703 K N -0.183 120.184 120.400 -0.054 0.000 2.360 703 K HA -0.098 4.236 4.320 0.023 0.000 0.201 703 K C 1.205 177.703 176.600 -0.170 0.000 1.046 703 K CA 0.994 57.198 56.287 -0.138 0.000 0.945 703 K CB -0.050 32.321 32.500 -0.216 0.000 0.750 703 K HN 0.159 nan 8.250 nan 0.000 0.464 704 F N 1.572 121.498 119.950 -0.040 0.000 2.451 704 F HA -0.112 4.429 4.527 0.023 0.000 0.299 704 F C 1.862 177.614 175.800 -0.079 0.000 1.101 704 F CA 0.839 58.804 58.000 -0.059 0.000 1.436 704 F CB -0.033 38.932 39.000 -0.058 0.000 1.074 704 F HN -0.061 nan 8.300 nan 0.000 0.553 705 K N 0.204 120.649 120.400 0.075 0.000 2.160 705 K HA -0.220 4.114 4.320 0.023 0.000 0.206 705 K C 2.291 178.864 176.600 -0.046 0.000 1.047 705 K CA 1.141 57.425 56.287 -0.005 0.000 0.930 705 K CB -0.351 32.143 32.500 -0.009 0.000 0.720 705 K HN 0.284 nan 8.250 nan 0.000 0.450 706 A N 0.738 123.538 122.820 -0.034 0.000 1.930 706 A HA -0.129 4.205 4.320 0.023 0.000 0.217 706 A C 2.152 179.707 177.584 -0.049 0.000 1.175 706 A CA 1.834 53.843 52.037 -0.047 0.000 0.627 706 A CB -0.793 18.176 19.000 -0.050 0.000 0.815 706 A HN 0.242 nan 8.150 nan 0.000 0.443 707 T N 0.837 115.379 114.554 -0.019 0.000 2.803 707 T HA -0.116 4.248 4.350 0.023 0.000 0.269 707 T C 1.509 176.149 174.700 -0.101 0.000 1.052 707 T CA 1.657 63.748 62.100 -0.016 0.000 1.136 707 T CB -0.495 68.417 68.868 0.073 0.000 0.864 707 T HN 0.726 nan 8.240 nan 0.000 0.467 708 I N -2.459 117.998 120.570 -0.189 0.000 3.976 708 I HA 0.360 4.544 4.170 0.023 0.000 0.337 708 I C -0.340 175.531 176.117 -0.410 0.000 1.359 708 I CA -0.438 60.611 61.300 -0.418 0.000 1.098 708 I CB 0.092 37.651 38.000 -0.735 0.000 1.027 708 I HN -0.114 nan 8.210 nan 0.000 0.394 709 K N 2.141 122.415 120.400 -0.211 0.000 3.162 709 K HA -0.099 4.235 4.320 0.023 0.000 0.268 709 K C -0.417 176.110 176.600 -0.123 0.000 1.062 709 K CA 0.436 56.643 56.287 -0.133 0.000 0.769 709 K CB -1.686 30.757 32.500 -0.095 0.000 1.274 709 K HN 0.376 nan 8.250 nan 0.000 0.478 710 I N 0.684 121.182 120.570 -0.120 0.000 2.342 710 I HA 0.221 4.405 4.170 0.023 0.000 0.291 710 I C 1.470 177.567 176.117 -0.034 0.000 1.010 710 I CA -0.907 60.351 61.300 -0.070 0.000 1.308 710 I CB 0.624 38.587 38.000 -0.062 0.000 1.400 710 I HN 0.294 nan 8.210 nan 0.000 0.488 711 A N 4.972 127.783 122.820 -0.015 0.000 2.609 711 A HA -0.099 4.235 4.320 0.023 0.000 0.232 711 A C 1.203 178.784 177.584 -0.006 0.000 1.041 711 A CA 0.136 52.169 52.037 -0.007 0.000 0.753 711 A CB -0.130 18.872 19.000 0.002 0.000 0.966 711 A HN 0.777 nan 8.150 nan 0.000 0.510 712 D N 0.181 120.577 120.400 -0.006 0.000 2.158 712 D HA -0.176 4.478 4.640 0.023 0.000 0.197 712 D C 1.933 178.234 176.300 0.002 0.000 0.995 712 D CA 1.908 55.906 54.000 -0.004 0.000 0.846 712 D CB 0.036 40.833 40.800 -0.004 0.000 0.941 712 D HN 0.770 nan 8.370 nan 0.000 0.456 713 Q N 0.731 120.533 119.800 0.003 0.000 2.444 713 Q HA 0.103 4.457 4.340 0.023 0.000 0.206 713 Q C 0.584 176.589 176.000 0.008 0.000 0.948 713 Q CA 0.945 56.751 55.803 0.006 0.000 0.946 713 Q CB 0.074 28.816 28.738 0.005 0.000 1.027 713 Q HN 0.161 nan 8.270 nan 0.000 0.513 714 G N 1.444 110.248 108.800 0.007 0.000 2.756 714 G HA2 -0.243 3.731 3.960 0.023 0.000 0.678 714 G HA3 -0.243 3.731 3.960 0.023 0.000 0.678 714 G C -1.119 173.787 174.900 0.010 0.000 1.349 714 G CA -0.136 44.970 45.100 0.009 0.000 0.847 714 G HN 0.585 nan 8.290 nan 0.000 0.548 715 E N -0.509 119.698 120.200 0.013 0.000 2.356 715 E HA 0.571 4.934 4.350 0.023 0.000 0.275 715 E C -0.563 176.036 176.600 -0.001 0.000 0.904 715 E CA -1.066 55.343 56.400 0.014 0.000 0.757 715 E CB 1.501 31.223 29.700 0.037 0.000 1.232 715 E HN 0.404 nan 8.360 nan 0.000 0.442 716 E N 1.058 121.249 120.200 -0.015 0.000 2.694 716 E HA 0.110 4.474 4.350 0.023 0.000 0.250 716 E C 0.891 177.454 176.600 -0.061 0.000 0.963 716 E CA 1.813 58.188 56.400 -0.040 0.000 0.949 716 E CB 0.652 30.326 29.700 -0.044 0.000 0.911 716 E HN 0.939 nan 8.360 nan 0.000 0.500 717 G N 2.855 111.604 108.800 -0.086 0.000 2.213 717 G HA2 -0.204 3.770 3.960 0.023 0.000 0.226 717 G HA3 -0.204 3.770 3.960 0.023 0.000 0.226 717 G C 0.138 174.989 174.900 -0.082 0.000 0.992 717 G CA -0.280 44.750 45.100 -0.116 0.000 0.632 717 G HN 0.412 nan 8.290 nan 0.000 0.511 718 I N 1.898 122.441 120.570 -0.045 0.000 2.382 718 I HA 0.503 4.687 4.170 0.023 0.000 0.286 718 I C 0.275 176.352 176.117 -0.065 0.000 1.002 718 I CA -1.113 60.169 61.300 -0.030 0.000 1.135 718 I CB 1.460 39.471 38.000 0.020 0.000 1.288 718 I HN -0.107 nan 8.210 nan 0.000 0.448 719 V N 7.331 127.168 119.914 -0.129 0.000 2.439 719 V HA 0.427 4.561 4.120 0.023 0.000 0.282 719 V C 0.119 176.163 176.094 -0.082 0.000 1.039 719 V CA -0.453 61.726 62.300 -0.202 0.000 0.913 719 V CB 1.466 33.003 31.823 -0.476 0.000 0.983 719 V HN 0.857 nan 8.190 nan 0.000 0.460 720 E N 4.229 124.461 120.200 0.053 0.000 2.343 720 E HA 0.875 5.239 4.350 0.023 0.000 0.278 720 E C -1.037 175.711 176.600 0.247 0.000 0.910 720 E CA -0.970 55.554 56.400 0.207 0.000 0.757 720 E CB 2.577 32.345 29.700 0.114 0.000 1.218 720 E HN 0.778 nan 8.360 nan 0.000 0.435 721 A N 1.923 124.906 122.820 0.271 0.000 2.586 721 A HA 0.375 4.709 4.320 0.023 0.000 0.290 721 A C -0.480 177.124 177.584 0.034 0.000 1.086 721 A CA -0.637 51.493 52.037 0.155 0.000 0.665 721 A CB 1.310 20.443 19.000 0.222 0.000 1.279 721 A HN 0.597 nan 8.150 nan 0.000 0.423 722 D N 0.513 120.912 120.400 -0.003 0.000 2.178 722 D HA 0.017 4.671 4.640 0.023 0.000 0.201 722 D C 1.072 177.315 176.300 -0.094 0.000 0.980 722 D CA 2.373 56.351 54.000 -0.036 0.000 0.842 722 D CB 0.063 40.847 40.800 -0.027 0.000 0.948 722 D HN 0.801 nan 8.370 nan 0.000 0.472 723 S N -1.947 113.659 115.700 -0.158 0.000 2.638 723 S HA 0.654 5.137 4.470 0.023 0.000 0.274 723 S C -0.408 173.874 174.600 -0.530 0.000 1.157 723 S CA -0.558 57.482 58.200 -0.267 0.000 0.826 723 S CB 1.896 64.998 63.200 -0.165 0.000 1.139 723 S HN -0.042 nan 8.310 nan 0.000 0.474 724 A N 1.384 123.824 122.820 -0.633 0.000 3.019 724 A HA 0.436 4.770 4.320 0.023 0.000 0.262 724 A C 0.268 177.699 177.584 -0.255 0.000 1.509 724 A CA -0.094 51.437 52.037 -0.843 0.000 1.159 724 A CB -1.482 17.147 19.000 -0.618 0.000 1.042 724 A HN 0.816 nan 8.150 nan 0.000 0.641 725 D N -1.739 118.570 120.400 -0.152 0.000 2.654 725 D HA 0.587 5.241 4.640 0.023 0.000 0.255 725 D C 0.911 177.234 176.300 0.039 0.000 1.101 725 D CA 0.254 54.234 54.000 -0.033 0.000 1.116 725 D CB 0.377 41.150 40.800 -0.045 0.000 1.348 725 D HN 0.675 nan 8.370 nan 0.000 0.609 726 G N 0.423 109.245 108.800 0.037 0.000 2.651 726 G HA2 -0.349 3.625 3.960 0.023 0.000 0.315 726 G HA3 -0.349 3.625 3.960 0.023 0.000 0.315 726 G C 0.959 175.908 174.900 0.083 0.000 1.258 726 G CA 2.041 47.171 45.100 0.050 0.000 1.002 726 G HN 1.349 nan 8.290 nan 0.000 0.551 727 S N -0.095 115.659 115.700 0.090 0.000 2.603 727 S HA 0.255 4.739 4.470 0.023 0.000 0.220 727 S C 1.880 176.552 174.600 0.119 0.000 0.967 727 S CA 1.217 59.466 58.200 0.082 0.000 0.920 727 S CB -0.073 63.159 63.200 0.054 0.000 0.773 727 S HN 0.916 nan 8.310 nan 0.000 0.529 728 F N 2.558 122.505 119.950 -0.004 0.000 2.065 728 F HA -0.149 4.392 4.527 0.023 0.000 0.298 728 F C 2.274 178.070 175.800 -0.007 0.000 1.112 728 F CA 1.805 59.802 58.000 -0.005 0.000 1.212 728 F CB -0.223 38.775 39.000 -0.003 0.000 0.975 728 F HN 0.148 nan 8.300 nan 0.000 0.476 729 M N 0.017 119.761 119.600 0.241 0.000 2.156 729 M HA -0.150 4.344 4.480 0.023 0.000 0.264 729 M C 1.841 178.143 176.300 0.003 0.000 1.067 729 M CA 1.312 56.679 55.300 0.112 0.000 1.131 729 M CB -1.363 31.331 32.600 0.157 0.000 1.368 729 M HN 0.111 nan 8.290 nan 0.000 0.416 730 D N 0.711 121.122 120.400 0.018 0.000 2.116 730 D HA -0.185 4.469 4.640 0.023 0.000 0.193 730 D C 1.950 178.222 176.300 -0.046 0.000 0.998 730 D CA 1.388 55.383 54.000 -0.009 0.000 0.836 730 D CB -0.200 40.603 40.800 0.005 0.000 0.951 730 D HN 0.475 nan 8.370 nan 0.000 0.449 731 E N 0.144 120.300 120.200 -0.074 0.000 2.072 731 E HA -0.099 4.265 4.350 0.023 0.000 0.191 731 E C 2.139 178.649 176.600 -0.149 0.000 0.985 731 E CA 0.094 56.431 56.400 -0.106 0.000 0.801 731 E CB -0.035 29.592 29.700 -0.122 0.000 0.750 731 E HN 0.165 nan 8.360 nan 0.000 0.452 732 L N 0.909 122.005 121.223 -0.213 0.000 2.017 732 L HA -0.192 4.162 4.340 0.023 0.000 0.208 732 L C 2.143 178.939 176.870 -0.124 0.000 1.073 732 L CA 1.645 56.358 54.840 -0.212 0.000 0.745 732 L CB -0.413 41.478 42.059 -0.279 0.000 0.894 732 L HN 0.240 nan 8.230 nan 0.000 0.432 733 L N -0.588 120.584 121.223 -0.085 0.000 2.191 733 L HA -0.200 4.154 4.340 0.023 0.000 0.212 733 L C 2.453 179.294 176.870 -0.048 0.000 1.103 733 L CA 1.394 56.202 54.840 -0.054 0.000 0.769 733 L CB -0.755 41.285 42.059 -0.032 0.000 0.908 733 L HN 0.253 nan 8.230 nan 0.000 0.438 734 T N 0.021 114.542 114.554 -0.054 0.000 2.737 734 T HA -0.110 4.254 4.350 0.023 0.000 0.265 734 T C 1.951 176.615 174.700 -0.060 0.000 1.038 734 T CA 1.124 63.197 62.100 -0.045 0.000 1.144 734 T CB -0.190 68.652 68.868 -0.043 0.000 0.866 734 T HN 0.192 nan 8.240 nan 0.000 0.434 735 L N 0.311 121.479 121.223 -0.093 0.000 2.079 735 L HA -0.091 4.263 4.340 0.023 0.000 0.210 735 L C 2.660 179.459 176.870 -0.119 0.000 1.081 735 L CA 1.320 56.085 54.840 -0.125 0.000 0.752 735 L CB -0.541 41.423 42.059 -0.158 0.000 0.896 735 L HN 0.315 nan 8.230 nan 0.000 0.433 736 M N -0.879 118.668 119.600 -0.088 0.000 2.254 736 M HA -0.116 4.378 4.480 0.023 0.000 0.265 736 M C 2.433 178.727 176.300 -0.010 0.000 1.066 736 M CA 1.474 56.739 55.300 -0.059 0.000 1.123 736 M CB -0.382 32.194 32.600 -0.041 0.000 1.388 736 M HN 0.297 nan 8.290 nan 0.000 0.425 737 A N 0.232 123.048 122.820 -0.008 0.000 2.070 737 A HA 0.043 4.377 4.320 0.023 0.000 0.220 737 A C 2.084 179.702 177.584 0.057 0.000 1.159 737 A CA 1.694 53.747 52.037 0.027 0.000 0.656 737 A CB -0.586 18.425 19.000 0.018 0.000 0.800 737 A HN 0.496 nan 8.150 nan 0.000 0.453 738 A N -2.810 120.023 122.820 0.021 0.000 2.308 738 A HA 0.395 4.729 4.320 0.023 0.000 0.217 738 A C 0.867 178.459 177.584 0.014 0.000 1.216 738 A CA 1.165 53.227 52.037 0.041 0.000 0.864 738 A CB -0.372 18.613 19.000 -0.026 0.000 0.902 738 A HN 0.952 nan 8.150 nan 0.000 0.499 739 H N -1.220 117.771 119.070 -0.132 0.000 4.806 739 H HA -0.174 4.395 4.556 0.023 0.000 0.061 739 H C 0.051 175.136 175.328 -0.405 0.000 0.604 739 H CA 2.310 58.259 56.048 -0.165 0.000 0.938 739 H CB -0.644 29.122 29.762 0.006 0.000 0.431 739 H HN 0.445 nan 8.280 nan 0.000 0.803 740 R N -0.223 119.664 120.500 -1.022 0.000 2.867 740 R HA 0.633 4.987 4.340 0.023 0.000 0.268 740 R C -0.574 174.871 176.300 -1.426 0.000 1.014 740 R CA -0.306 54.979 56.100 -1.358 0.000 0.946 740 R CB 1.699 30.906 30.300 -1.822 0.000 1.208 740 R HN 0.081 nan 8.270 nan 0.000 0.477 741 V N 2.263 121.580 119.914 -0.995 0.000 2.125 741 V HA 0.096 4.230 4.120 0.023 0.000 0.263 741 V C 0.710 176.459 176.094 -0.575 0.000 1.365 741 V CA -0.407 61.490 62.300 -0.672 0.000 1.276 741 V CB -0.463 31.103 31.823 -0.430 0.000 1.350 741 V HN 0.706 nan 8.190 nan 0.000 0.487 742 W N 1.423 122.434 121.300 -0.481 0.000 2.364 742 W HA -0.215 4.459 4.660 0.023 0.000 0.281 742 W C 2.557 178.854 176.519 -0.370 0.000 1.219 742 W CA 0.925 57.894 57.345 -0.626 0.000 1.220 742 W CB -0.379 28.281 29.460 -1.334 0.000 1.127 742 W HN 0.647 nan 8.180 nan 0.000 0.556 743 S N 0.743 116.391 115.700 -0.087 0.000 2.500 743 S HA -0.164 4.320 4.470 0.023 0.000 0.239 743 S C 1.697 176.261 174.600 -0.060 0.000 0.989 743 S CA 0.906 59.079 58.200 -0.045 0.000 0.951 743 S CB -0.417 62.758 63.200 -0.043 0.000 0.759 743 S HN 0.410 nan 8.310 nan 0.000 0.523 744 R N 0.413 120.838 120.500 -0.126 0.000 2.307 744 R HA 0.262 4.616 4.340 0.023 0.000 0.199 744 R C 1.691 177.932 176.300 -0.098 0.000 1.000 744 R CA 0.335 56.340 56.100 -0.157 0.000 1.023 744 R CB -0.332 29.766 30.300 -0.336 0.000 0.908 744 R HN 0.493 nan 8.270 nan 0.000 0.473 745 I N 1.491 122.044 120.570 -0.028 0.000 2.163 745 I HA -0.195 3.988 4.170 0.023 0.000 0.243 745 I C -0.876 175.269 176.117 0.047 0.000 1.085 745 I CA 1.197 62.521 61.300 0.040 0.000 1.347 745 I CB -0.716 37.357 38.000 0.122 0.000 1.044 745 I HN 0.142 nan 8.210 nan 0.000 0.408 746 P HA -0.167 nan 4.420 nan 0.000 0.218 746 P C 1.194 178.525 177.300 0.051 0.000 1.148 746 P CA 1.378 64.509 63.100 0.053 0.000 0.822 746 P CB 0.015 31.743 31.700 0.047 0.000 0.784 747 K N -0.322 120.104 120.400 0.043 0.000 2.217 747 K HA -0.020 4.313 4.320 0.023 0.000 0.202 747 K C 1.989 178.649 176.600 0.100 0.000 1.051 747 K CA 0.899 57.233 56.287 0.078 0.000 0.952 747 K CB -0.800 31.770 32.500 0.116 0.000 0.736 747 K HN 0.315 nan 8.250 nan 0.000 0.453 748 I N -1.891 118.710 120.570 0.051 0.000 2.716 748 I HA -0.082 4.102 4.170 0.023 0.000 0.259 748 I C 0.936 177.095 176.117 0.070 0.000 1.172 748 I CA 1.091 62.425 61.300 0.056 0.000 1.478 748 I CB -0.096 37.891 38.000 -0.021 0.000 1.104 748 I HN -0.078 nan 8.210 nan 0.000 0.439 749 D N 3.129 123.572 120.400 0.071 0.000 2.172 749 D HA -0.219 4.435 4.640 0.023 0.000 0.196 749 D C 2.003 178.343 176.300 0.066 0.000 0.999 749 D CA 2.186 56.230 54.000 0.073 0.000 0.856 749 D CB -0.086 40.758 40.800 0.073 0.000 0.934 749 D HN 0.671 nan 8.370 nan 0.000 0.453 750 K N 0.382 120.821 120.400 0.065 0.000 2.296 750 K HA 0.073 4.407 4.320 0.023 0.000 0.200 750 K C 1.396 178.028 176.600 0.053 0.000 1.048 750 K CA 0.096 56.416 56.287 0.055 0.000 0.966 750 K CB 0.413 32.941 32.500 0.047 0.000 0.754 750 K HN 0.131 nan 8.250 nan 0.000 0.466 751 I N 4.128 124.736 120.570 0.064 0.000 2.556 751 I HA 0.079 4.263 4.170 0.023 0.000 0.284 751 I C -2.163 173.983 176.117 0.047 0.000 1.114 751 I CA -2.399 58.934 61.300 0.055 0.000 1.418 751 I CB 0.924 38.976 38.000 0.087 0.000 1.394 751 I HN 0.083 nan 8.210 nan 0.000 0.552 752 P HA 0.391 nan 4.420 nan 0.000 0.251 752 P C -1.089 176.263 177.300 0.087 0.000 1.718 752 P CA -0.121 63.012 63.100 0.056 0.000 1.119 752 P CB 0.662 32.391 31.700 0.047 0.000 1.762 753 A N 0.000 122.872 122.820 0.087 0.000 2.254 753 A HA 0.000 4.334 4.320 0.023 0.000 0.244 753 A CA 0.000 52.122 52.037 0.142 0.000 0.836 753 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486