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_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR 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 0.000 174.573 174.600 -0.046 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 28 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 29 L N 0.809 121.994 121.223 -0.062 0.000 2.794 29 L HA 0.999 5.377 4.340 0.063 0.000 0.261 29 L C -0.027 176.762 176.870 -0.136 0.000 0.989 29 L CA -0.722 54.064 54.840 -0.091 0.000 0.900 29 L CB 0.364 42.380 42.059 -0.073 0.000 1.473 29 L HN 0.610 nan 8.230 nan 0.000 0.414 30 A N 1.078 123.753 122.820 -0.241 0.000 2.507 30 A HA 0.614 4.972 4.320 0.063 0.000 0.235 30 A C -2.014 175.433 177.584 -0.228 0.000 1.070 30 A CA -0.453 51.321 52.037 -0.439 0.000 0.768 30 A CB -0.962 17.468 19.000 -0.950 0.000 1.011 30 A HN 0.742 nan 8.150 nan 0.000 0.502 31 P HA 0.076 nan 4.420 nan 0.000 0.269 31 P C 0.313 177.607 177.300 -0.011 0.000 1.209 31 P CA -0.025 63.055 63.100 -0.034 0.000 0.776 31 P CB 0.764 32.482 31.700 0.031 0.000 0.876 32 E N 1.966 122.165 120.200 -0.003 0.000 2.147 32 E HA -0.252 4.135 4.350 0.063 0.000 0.199 32 E C 1.058 177.681 176.600 0.038 0.000 1.005 32 E CA 2.113 58.519 56.400 0.010 0.000 0.810 32 E CB -0.413 29.290 29.700 0.006 0.000 0.736 32 E HN 0.549 nan 8.360 nan 0.000 0.460 33 D N -1.813 118.618 120.400 0.051 0.000 2.340 33 D HA 0.076 4.754 4.640 0.063 0.000 0.220 33 D C 1.270 177.620 176.300 0.084 0.000 1.039 33 D CA 0.742 54.776 54.000 0.055 0.000 0.866 33 D CB -0.262 40.562 40.800 0.040 0.000 0.913 33 D HN 0.257 nan 8.370 nan 0.000 0.523 34 G N 0.550 109.447 108.800 0.161 0.000 2.166 34 G HA2 -0.377 3.621 3.960 0.063 0.000 0.260 34 G HA3 -0.377 3.621 3.960 0.063 0.000 0.260 34 G C 1.103 176.053 174.900 0.084 0.000 0.986 34 G CA 0.941 46.159 45.100 0.196 0.000 0.683 34 G HN 0.711 nan 8.290 nan 0.000 0.527 35 S N -0.055 115.727 115.700 0.137 0.000 2.603 35 S HA 0.001 4.509 4.470 0.063 0.000 0.229 35 S C 1.761 176.396 174.600 0.058 0.000 0.972 35 S CA 1.297 59.532 58.200 0.059 0.000 0.935 35 S CB -0.641 62.591 63.200 0.055 0.000 0.769 35 S HN 1.042 nan 8.310 nan 0.000 0.536 36 H N 0.446 119.522 119.070 0.011 0.000 2.495 36 H HA 0.279 4.872 4.556 0.063 0.000 0.287 36 H C 1.139 176.478 175.328 0.019 0.000 1.033 36 H CA 0.592 56.648 56.048 0.013 0.000 1.307 36 H CB -0.128 29.641 29.762 0.011 0.000 1.401 36 H HN 0.335 nan 8.280 nan 0.000 0.555 37 R N 1.870 122.052 120.500 -0.529 0.000 2.295 37 R HA 0.354 4.731 4.340 0.063 0.000 0.324 37 R C -2.887 173.318 176.300 -0.158 0.000 0.968 37 R CA -2.569 53.308 56.100 -0.372 0.000 0.837 37 R CB 0.764 30.728 30.300 -0.560 0.000 1.133 37 R HN 0.073 nan 8.270 nan 0.000 0.450 38 P HA 0.112 nan 4.420 nan 0.000 0.268 38 P C -0.953 176.337 177.300 -0.017 0.000 1.204 38 P CA -0.125 62.965 63.100 -0.017 0.000 0.768 38 P CB 1.049 32.765 31.700 0.026 0.000 0.842 39 A N 3.421 126.236 122.820 -0.008 0.000 2.540 39 A HA 0.328 4.686 4.320 0.063 0.000 0.239 39 A C 0.943 178.536 177.584 0.016 0.000 1.061 39 A CA 0.272 52.308 52.037 -0.000 0.000 0.758 39 A CB -0.377 18.626 19.000 0.004 0.000 0.991 39 A HN 0.582 nan 8.150 nan 0.000 0.502 40 A N 3.138 125.967 122.820 0.016 0.000 3.135 40 A HA 0.484 4.841 4.320 0.063 0.000 0.253 40 A C 0.273 177.875 177.584 0.030 0.000 1.638 40 A CA -0.080 51.973 52.037 0.027 0.000 1.295 40 A CB -0.430 18.583 19.000 0.022 0.000 1.106 40 A HN 0.753 nan 8.150 nan 0.000 0.648 41 E N 0.200 120.420 120.200 0.033 0.000 2.412 41 E HA 0.354 4.741 4.350 0.063 0.000 0.279 41 E C -3.137 173.486 176.600 0.038 0.000 0.984 41 E CA -2.007 54.414 56.400 0.034 0.000 0.788 41 E CB 1.664 31.378 29.700 0.024 0.000 1.277 41 E HN 0.057 nan 8.360 nan 0.000 0.455 42 P HA 0.090 nan 4.420 nan 0.000 0.267 42 P C -0.649 176.660 177.300 0.015 0.000 1.205 42 P CA 0.165 63.281 63.100 0.026 0.000 0.765 42 P CB 0.318 32.020 31.700 0.003 0.000 0.828 43 T N 0.734 115.294 114.554 0.010 0.000 2.909 43 T HA 0.622 5.010 4.350 0.063 0.000 0.299 43 T C -2.952 171.725 174.700 -0.039 0.000 1.073 43 T CA -2.583 59.517 62.100 0.000 0.000 0.999 43 T CB 1.715 70.589 68.868 0.009 0.000 1.098 43 T HN 0.087 nan 8.240 nan 0.000 0.477 44 P HA 0.356 nan 4.420 nan 0.000 0.272 44 P C -2.764 174.402 177.300 -0.224 0.000 1.240 44 P CA -1.541 61.418 63.100 -0.235 0.000 0.791 44 P CB -0.928 30.698 31.700 -0.122 0.000 0.978 45 P HA 0.069 nan 4.420 nan 0.000 0.265 45 P C 1.084 178.340 177.300 -0.073 0.000 1.193 45 P CA 1.368 64.373 63.100 -0.158 0.000 0.765 45 P CB -0.210 31.394 31.700 -0.161 0.000 0.823 46 G N 2.695 111.482 108.800 -0.023 0.000 2.267 46 G HA2 -0.371 3.626 3.960 0.063 0.000 0.257 46 G HA3 -0.371 3.626 3.960 0.063 0.000 0.257 46 G C 1.223 176.122 174.900 -0.001 0.000 0.998 46 G CA 0.492 45.591 45.100 -0.003 0.000 0.620 46 G HN 0.665 nan 8.290 nan 0.000 0.529 47 A N -1.052 121.763 122.820 -0.008 0.000 1.969 47 A HA 0.350 4.707 4.320 0.063 0.000 0.218 47 A C 1.368 178.955 177.584 0.006 0.000 1.169 47 A CA 2.150 54.187 52.037 -0.001 0.000 0.635 47 A CB -0.031 18.967 19.000 -0.004 0.000 0.810 47 A HN 0.524 nan 8.150 nan 0.000 0.445 48 Q N -1.165 118.643 119.800 0.012 0.000 2.456 48 Q HA 0.433 4.810 4.340 0.063 0.000 0.283 48 Q C -2.956 173.060 176.000 0.026 0.000 1.084 48 Q CA -2.031 53.782 55.803 0.017 0.000 0.801 48 Q CB 1.237 29.988 28.738 0.022 0.000 1.434 48 Q HN 0.082 nan 8.270 nan 0.000 0.419 49 P HA 0.046 nan 4.420 nan 0.000 0.269 49 P C -0.192 177.141 177.300 0.055 0.000 1.209 49 P CA 0.076 63.191 63.100 0.025 0.000 0.776 49 P CB 0.243 31.954 31.700 0.019 0.000 0.876 50 T N -0.897 113.689 114.554 0.053 0.000 2.788 50 T HA 0.638 5.026 4.350 0.063 0.000 0.287 50 T C -0.020 174.773 174.700 0.154 0.000 1.007 50 T CA -0.526 61.659 62.100 0.142 0.000 1.005 50 T CB 0.745 69.649 68.868 0.060 0.000 1.012 50 T HN 0.597 nan 8.240 nan 0.000 0.530 51 A N 1.054 124.067 122.820 0.321 0.000 2.609 51 A HA 0.758 5.115 4.320 0.063 0.000 0.291 51 A C -3.079 174.774 177.584 0.449 0.000 1.096 51 A CA -1.937 50.261 52.037 0.268 0.000 0.684 51 A CB 0.567 19.675 19.000 0.180 0.000 1.282 51 A HN 0.650 nan 8.150 nan 0.000 0.412 52 P HA 0.124 nan 4.420 nan 0.000 0.266 52 P C 1.250 178.703 177.300 0.255 0.000 1.193 52 P CA 0.929 64.253 63.100 0.374 0.000 0.770 52 P CB 0.555 32.390 31.700 0.224 0.000 0.836 53 G N 1.840 110.742 108.800 0.170 0.000 2.440 53 G HA2 -0.288 3.709 3.960 0.063 0.000 0.218 53 G HA3 -0.288 3.709 3.960 0.063 0.000 0.218 53 G C 1.559 176.474 174.900 0.026 0.000 1.154 53 G CA 1.141 46.256 45.100 0.024 0.000 0.767 53 G HN 0.597 nan 8.290 nan 0.000 0.552 54 S N -0.021 115.699 115.700 0.034 0.000 2.453 54 S HA 0.138 4.646 4.470 0.063 0.000 0.231 54 S C 2.208 176.827 174.600 0.031 0.000 1.005 54 S CA 0.779 58.985 58.200 0.010 0.000 0.949 54 S CB -0.164 63.038 63.200 0.003 0.000 0.774 54 S HN 0.310 nan 8.310 nan 0.000 0.510 55 L N -0.159 121.099 121.223 0.060 0.000 2.298 55 L HA 0.284 4.661 4.340 0.063 0.000 0.209 55 L C 2.632 179.538 176.870 0.059 0.000 1.084 55 L CA 0.729 55.605 54.840 0.060 0.000 0.816 55 L CB -0.268 41.837 42.059 0.076 0.000 0.967 55 L HN 0.244 nan 8.230 nan 0.000 0.460 56 K N 1.408 121.853 120.400 0.075 0.000 2.116 56 K HA 0.057 4.415 4.320 0.063 0.000 0.203 56 K C 0.752 177.384 176.600 0.053 0.000 1.052 56 K CA 1.238 57.569 56.287 0.073 0.000 0.952 56 K CB 0.172 32.732 32.500 0.101 0.000 0.729 56 K HN 0.128 nan 8.250 nan 0.000 0.446 57 A N 0.827 123.670 122.820 0.038 0.000 3.355 57 A HA 0.346 4.703 4.320 0.063 0.000 0.290 57 A C -2.177 175.414 177.584 0.011 0.000 0.973 57 A CA -0.982 51.075 52.037 0.033 0.000 0.933 57 A CB 0.550 19.576 19.000 0.043 0.000 1.138 57 A HN 0.154 nan 8.150 nan 0.000 0.490 58 P HA -0.130 nan 4.420 nan 0.000 0.221 58 P C 0.047 177.342 177.300 -0.009 0.000 1.145 58 P CA 1.210 64.310 63.100 -0.000 0.000 0.795 58 P CB 0.291 31.995 31.700 0.007 0.000 0.775 59 D N -1.021 119.378 120.400 -0.002 0.000 2.340 59 D HA 0.040 4.717 4.640 0.063 0.000 0.217 59 D C 0.197 176.487 176.300 -0.017 0.000 1.081 59 D CA 0.435 54.430 54.000 -0.008 0.000 0.842 59 D CB -0.164 40.638 40.800 0.003 0.000 0.934 59 D HN 0.102 nan 8.370 nan 0.000 0.511 60 T N 1.642 116.183 114.554 -0.023 0.000 2.729 60 T HA 0.401 4.789 4.350 0.063 0.000 0.296 60 T C 0.471 175.129 174.700 -0.071 0.000 0.928 60 T CA -0.244 61.829 62.100 -0.044 0.000 1.045 60 T CB 1.246 70.085 68.868 -0.047 0.000 0.902 60 T HN -0.082 nan 8.240 nan 0.000 0.500 61 R N 2.724 123.175 120.500 -0.081 0.000 2.808 61 R HA 0.671 5.048 4.340 0.063 0.000 0.272 61 R C -0.678 175.564 176.300 -0.096 0.000 0.995 61 R CA -1.065 54.980 56.100 -0.091 0.000 0.917 61 R CB 1.647 31.900 30.300 -0.077 0.000 1.217 61 R HN 0.759 nan 8.270 nan 0.000 0.471 62 N N -1.566 117.079 118.700 -0.091 0.000 3.020 62 N HA 0.004 4.781 4.740 0.063 0.000 0.248 62 N C -0.047 175.418 175.510 -0.075 0.000 1.480 62 N CA -0.902 52.107 53.050 -0.069 0.000 0.874 62 N CB 0.755 39.234 38.487 -0.015 0.000 1.433 62 N HN 0.635 nan 8.380 nan 0.000 0.530 63 E N -0.455 119.715 120.200 -0.051 0.000 2.160 63 E HA -0.250 4.137 4.350 0.063 0.000 0.195 63 E C 0.993 177.519 176.600 -0.123 0.000 0.991 63 E CA 1.403 57.765 56.400 -0.063 0.000 0.810 63 E CB 0.129 29.816 29.700 -0.022 0.000 0.742 63 E HN 0.483 nan 8.360 nan 0.000 0.466 64 K N 0.571 120.863 120.400 -0.180 0.000 2.076 64 K HA -0.034 4.324 4.320 0.063 0.000 0.204 64 K C 2.032 178.466 176.600 -0.276 0.000 1.051 64 K CA 0.950 57.038 56.287 -0.332 0.000 0.949 64 K CB -0.374 31.769 32.500 -0.596 0.000 0.726 64 K HN 0.154 nan 8.250 nan 0.000 0.443 65 L N 1.078 122.155 121.223 -0.244 0.000 2.042 65 L HA -0.242 4.135 4.340 0.063 0.000 0.210 65 L C 1.861 178.612 176.870 -0.198 0.000 1.076 65 L CA 1.460 56.127 54.840 -0.288 0.000 0.749 65 L CB -0.685 41.200 42.059 -0.290 0.000 0.893 65 L HN 0.260 nan 8.230 nan 0.000 0.432 66 N N -0.278 118.333 118.700 -0.149 0.000 2.166 66 N HA -0.156 4.621 4.740 0.063 0.000 0.186 66 N C 2.047 177.493 175.510 -0.106 0.000 1.019 66 N CA 1.680 54.665 53.050 -0.109 0.000 0.856 66 N CB -0.462 37.975 38.487 -0.084 0.000 0.993 66 N HN 0.400 nan 8.380 nan 0.000 0.426 67 S N 0.418 116.043 115.700 -0.125 0.000 2.481 67 S HA 0.045 4.552 4.470 0.063 0.000 0.231 67 S C 1.811 176.344 174.600 -0.111 0.000 0.996 67 S CA 0.319 58.453 58.200 -0.110 0.000 0.942 67 S CB -0.482 62.643 63.200 -0.124 0.000 0.768 67 S HN 0.240 nan 8.310 nan 0.000 0.520 68 L N 0.824 121.966 121.223 -0.134 0.000 2.552 68 L HA 0.146 4.523 4.340 0.063 0.000 0.227 68 L C 2.632 179.451 176.870 -0.085 0.000 1.146 68 L CA 0.654 55.424 54.840 -0.118 0.000 0.858 68 L CB -0.450 41.521 42.059 -0.146 0.000 0.969 68 L HN 0.282 nan 8.230 nan 0.000 0.451 69 E N 1.058 121.212 120.200 -0.078 0.000 2.209 69 E HA -0.247 4.141 4.350 0.063 0.000 0.196 69 E C 1.691 178.266 176.600 -0.042 0.000 0.993 69 E CA 1.419 57.786 56.400 -0.055 0.000 0.819 69 E CB -0.067 29.603 29.700 -0.049 0.000 0.745 69 E HN 0.582 nan 8.360 nan 0.000 0.477 70 D N -0.551 119.822 120.400 -0.045 0.000 2.218 70 D HA -0.145 4.533 4.640 0.063 0.000 0.204 70 D C 1.637 177.916 176.300 -0.035 0.000 0.976 70 D CA 1.632 55.610 54.000 -0.037 0.000 0.853 70 D CB -0.352 40.425 40.800 -0.038 0.000 0.939 70 D HN 0.303 nan 8.370 nan 0.000 0.481 71 V N -3.538 116.353 119.914 -0.038 0.000 3.605 71 V HA 0.322 4.480 4.120 0.063 0.000 0.284 71 V C 0.909 176.989 176.094 -0.023 0.000 1.386 71 V CA -0.670 61.611 62.300 -0.031 0.000 1.053 71 V CB -0.538 31.266 31.823 -0.032 0.000 0.857 71 V HN -0.164 nan 8.190 nan 0.000 0.436 72 R N 2.026 122.511 120.500 -0.024 0.000 2.489 72 R HA 0.371 4.749 4.340 0.063 0.000 0.287 72 R C -0.263 176.031 176.300 -0.009 0.000 1.053 72 R CA 0.118 56.212 56.100 -0.010 0.000 1.036 72 R CB 0.547 30.841 30.300 -0.010 0.000 0.966 72 R HN 0.302 nan 8.270 nan 0.000 0.432 73 K N 1.429 121.828 120.400 -0.002 0.000 2.413 73 K HA 0.327 4.685 4.320 0.063 0.000 0.257 73 K C -0.142 176.466 176.600 0.014 0.000 0.946 73 K CA -0.351 55.921 56.287 -0.024 0.000 0.823 73 K CB 1.781 34.254 32.500 -0.046 0.000 1.109 73 K HN 0.650 nan 8.250 nan 0.000 0.427 74 G N 0.774 109.601 108.800 0.044 0.000 2.504 74 G HA2 0.312 4.310 3.960 0.063 0.000 0.257 74 G HA3 0.312 4.310 3.960 0.063 0.000 0.257 74 G C 0.157 175.165 174.900 0.180 0.000 1.451 74 G CA 0.178 45.364 45.100 0.143 0.000 1.059 74 G HN 0.787 nan 8.290 nan 0.000 0.550 75 S N -2.728 113.159 115.700 0.312 0.000 2.501 75 S HA 0.128 4.635 4.470 0.063 0.000 0.250 75 S C 0.240 175.009 174.600 0.282 0.000 0.959 75 S CA -0.160 58.219 58.200 0.298 0.000 1.250 75 S CB 0.071 63.357 63.200 0.144 0.000 0.933 75 S HN 0.501 nan 8.310 nan 0.000 0.420 76 E N 2.982 123.263 120.200 0.136 0.000 2.415 76 E HA 0.288 4.675 4.350 0.063 0.000 0.263 76 E C -0.284 176.219 176.600 -0.160 0.000 0.995 76 E CA 0.169 56.573 56.400 0.006 0.000 0.915 76 E CB 0.104 29.799 29.700 -0.008 0.000 0.951 76 E HN 0.386 nan 8.360 nan 0.000 0.449 77 N N 0.884 119.509 118.700 -0.125 0.000 2.828 77 N HA -0.218 4.560 4.740 0.063 0.000 0.248 77 N C -1.193 174.181 175.510 -0.227 0.000 1.044 77 N CA 1.125 54.059 53.050 -0.193 0.000 0.851 77 N CB -1.482 36.856 38.487 -0.248 0.000 1.136 77 N HN 0.371 nan 8.380 nan 0.000 0.572 78 Y N 0.550 120.855 120.300 0.008 0.000 2.420 78 Y HA 0.661 5.249 4.550 0.063 0.000 0.334 78 Y C 0.850 176.752 175.900 0.004 0.000 1.094 78 Y CA -0.684 57.420 58.100 0.006 0.000 1.126 78 Y CB 1.200 39.664 38.460 0.007 0.000 1.217 78 Y HN 0.140 nan 8.280 nan 0.000 0.462 79 A N 2.575 125.509 122.820 0.191 0.000 2.371 79 A HA 0.418 4.776 4.320 0.063 0.000 0.257 79 A C -0.750 176.881 177.584 0.079 0.000 1.089 79 A CA -0.517 51.580 52.037 0.100 0.000 0.794 79 A CB 0.128 19.173 19.000 0.075 0.000 1.029 79 A HN 0.712 nan 8.150 nan 0.000 0.488 80 L N 2.779 124.030 121.223 0.047 0.000 2.410 80 L HA 0.494 4.872 4.340 0.063 0.000 0.273 80 L C 0.643 177.521 176.870 0.013 0.000 1.144 80 L CA 1.139 55.993 54.840 0.023 0.000 0.863 80 L CB 0.315 42.379 42.059 0.008 0.000 1.140 80 L HN 0.893 nan 8.230 nan 0.000 0.463 81 T N 0.528 115.084 114.554 0.004 0.000 2.901 81 T HA 0.633 5.020 4.350 0.063 0.000 0.293 81 T C 0.193 174.892 174.700 -0.000 0.000 1.084 81 T CA -0.176 61.928 62.100 0.007 0.000 1.008 81 T CB 1.062 69.936 68.868 0.011 0.000 1.170 81 T HN 0.837 nan 8.240 nan 0.000 0.509 82 T N 0.717 115.283 114.554 0.021 0.000 2.734 82 T HA 0.138 4.526 4.350 0.063 0.000 0.314 82 T C 1.156 175.873 174.700 0.029 0.000 1.057 82 T CA -0.365 61.757 62.100 0.037 0.000 1.047 82 T CB -0.073 68.862 68.868 0.111 0.000 0.991 82 T HN 0.589 nan 8.240 nan 0.000 0.540 83 N N 0.789 119.508 118.700 0.033 0.000 2.443 83 N HA -0.089 4.688 4.740 0.063 0.000 0.184 83 N C 1.571 177.102 175.510 0.035 0.000 1.037 83 N CA 0.753 53.817 53.050 0.022 0.000 0.896 83 N CB -0.175 38.334 38.487 0.036 0.000 0.959 83 N HN 0.601 nan 8.380 nan 0.000 0.442 84 Q N -0.517 119.318 119.800 0.059 0.000 2.320 84 Q HA 0.187 4.565 4.340 0.063 0.000 0.201 84 Q C 0.791 176.816 176.000 0.041 0.000 0.910 84 Q CA 0.212 56.045 55.803 0.051 0.000 0.946 84 Q CB 0.419 29.195 28.738 0.063 0.000 1.062 84 Q HN 0.407 nan 8.270 nan 0.000 0.503 85 G N 0.436 109.258 108.800 0.036 0.000 2.141 85 G HA2 -0.233 3.765 3.960 0.063 0.000 0.242 85 G HA3 -0.233 3.765 3.960 0.063 0.000 0.242 85 G C 0.078 175.004 174.900 0.043 0.000 0.982 85 G CA 0.098 45.214 45.100 0.025 0.000 0.662 85 G HN 0.223 nan 8.290 nan 0.000 0.527 86 V N 1.503 121.459 119.914 0.071 0.000 2.432 86 V HA 0.396 4.554 4.120 0.063 0.000 0.275 86 V C 1.269 177.404 176.094 0.068 0.000 1.043 86 V CA -0.617 61.739 62.300 0.092 0.000 0.925 86 V CB 1.191 33.119 31.823 0.175 0.000 0.985 86 V HN 0.403 nan 8.190 nan 0.000 0.466 87 R N 4.217 124.750 120.500 0.054 0.000 2.537 87 R HA 0.374 4.752 4.340 0.063 0.000 0.280 87 R C -0.510 175.804 176.300 0.024 0.000 1.058 87 R CA -0.077 56.044 56.100 0.036 0.000 1.057 87 R CB 0.521 30.842 30.300 0.035 0.000 0.973 87 R HN 0.578 nan 8.270 nan 0.000 0.438 88 I N 2.052 122.624 120.570 0.003 0.000 2.353 88 I HA 0.119 4.326 4.170 0.063 0.000 0.293 88 I C 0.985 177.093 176.117 -0.016 0.000 0.992 88 I CA 0.023 61.309 61.300 -0.024 0.000 1.268 88 I CB 1.863 39.837 38.000 -0.043 0.000 1.387 88 I HN 0.776 nan 8.210 nan 0.000 0.478 89 A N 3.980 126.788 122.820 -0.021 0.000 1.943 89 A HA 0.015 4.372 4.320 0.063 0.000 0.213 89 A C 0.652 178.222 177.584 -0.023 0.000 1.181 89 A CA 0.910 52.938 52.037 -0.015 0.000 0.653 89 A CB 0.050 19.045 19.000 -0.009 0.000 0.833 89 A HN 0.688 nan 8.150 nan 0.000 0.451 90 D N -0.657 119.721 120.400 -0.037 0.000 2.421 90 D HA 0.319 4.996 4.640 0.063 0.000 0.254 90 D C -1.246 175.022 176.300 -0.054 0.000 1.238 90 D CA -0.348 53.628 54.000 -0.040 0.000 0.919 90 D CB 1.139 41.917 40.800 -0.037 0.000 1.152 90 D HN 0.056 nan 8.370 nan 0.000 0.552 91 D N 1.844 122.215 120.400 -0.048 0.000 2.358 91 D HA 0.039 4.717 4.640 0.063 0.000 0.224 91 D C 0.723 176.991 176.300 -0.053 0.000 1.123 91 D CA 0.309 54.276 54.000 -0.055 0.000 0.833 91 D CB 0.533 41.306 40.800 -0.045 0.000 0.946 91 D HN 0.234 nan 8.370 nan 0.000 0.505 92 Q N -0.611 119.160 119.800 -0.049 0.000 2.317 92 Q HA 0.253 4.631 4.340 0.063 0.000 0.220 92 Q C -0.134 175.837 176.000 -0.049 0.000 0.873 92 Q CA 0.226 56.001 55.803 -0.046 0.000 0.936 92 Q CB 0.749 29.465 28.738 -0.037 0.000 1.105 92 Q HN 0.200 nan 8.270 nan 0.000 0.520 93 N N 0.108 118.776 118.700 -0.053 0.000 2.277 93 N HA 0.295 5.073 4.740 0.063 0.000 0.286 93 N C -0.986 174.489 175.510 -0.058 0.000 1.140 93 N CA -0.243 52.777 53.050 -0.049 0.000 0.799 93 N CB 2.114 40.577 38.487 -0.040 0.000 1.596 93 N HN -0.169 nan 8.380 nan 0.000 0.473 94 S N 0.722 116.391 115.700 -0.052 0.000 2.603 94 S HA 0.283 4.791 4.470 0.063 0.000 0.268 94 S C 0.153 174.728 174.600 -0.042 0.000 1.317 94 S CA -0.553 57.616 58.200 -0.052 0.000 1.012 94 S CB 0.724 63.900 63.200 -0.041 0.000 0.926 94 S HN 0.405 nan 8.310 nan 0.000 0.539 95 L N 3.184 124.382 121.223 -0.041 0.000 2.290 95 L HA 0.472 4.850 4.340 0.063 0.000 0.284 95 L C 0.023 176.885 176.870 -0.013 0.000 1.078 95 L CA 0.246 55.070 54.840 -0.026 0.000 0.815 95 L CB -0.004 42.042 42.059 -0.021 0.000 1.162 95 L HN 0.753 nan 8.230 nan 0.000 0.435 96 R N 4.136 124.630 120.500 -0.009 0.000 2.836 96 R HA 0.881 5.258 4.340 0.063 0.000 0.269 96 R C -1.233 175.067 176.300 -0.001 0.000 1.010 96 R CA -0.876 55.222 56.100 -0.004 0.000 0.930 96 R CB 1.150 31.445 30.300 -0.009 0.000 1.218 96 R HN 0.575 nan 8.270 nan 0.000 0.473 97 A N 1.271 124.092 122.820 0.001 0.000 2.506 97 A HA 0.599 4.957 4.320 0.063 0.000 0.320 97 A C 0.623 178.207 177.584 0.001 0.000 1.424 97 A CA 0.229 52.268 52.037 0.003 0.000 1.044 97 A CB -0.774 18.229 19.000 0.005 0.000 1.140 97 A HN 1.237 nan 8.150 nan 0.000 0.538 98 G N 1.445 110.245 108.800 -0.000 0.000 2.755 98 G HA2 -0.024 3.973 3.960 0.063 0.000 0.686 98 G HA3 -0.024 3.973 3.960 0.063 0.000 0.686 98 G C 0.723 175.620 174.900 -0.005 0.000 1.427 98 G CA 0.131 45.230 45.100 -0.002 0.000 0.873 98 G HN 1.911 nan 8.290 nan 0.000 0.580 99 S N -0.366 115.330 115.700 -0.006 0.000 2.561 99 S HA 0.060 4.568 4.470 0.063 0.000 0.225 99 S C 1.520 176.115 174.600 -0.009 0.000 0.977 99 S CA 1.247 59.442 58.200 -0.008 0.000 0.926 99 S CB 0.169 63.363 63.200 -0.009 0.000 0.769 99 S HN 0.725 nan 8.310 nan 0.000 0.533 100 R N 0.840 121.335 120.500 -0.007 0.000 2.613 100 R HA 0.335 4.712 4.340 0.063 0.000 0.361 100 R C 0.862 177.158 176.300 -0.006 0.000 1.072 100 R CA -0.015 56.081 56.100 -0.007 0.000 1.089 100 R CB 0.765 31.061 30.300 -0.006 0.000 1.343 100 R HN 0.456 nan 8.270 nan 0.000 0.571 101 G N 1.473 110.270 108.800 -0.005 0.000 2.568 101 G HA2 0.380 4.378 3.960 0.063 0.000 0.293 101 G HA3 0.380 4.378 3.960 0.063 0.000 0.293 101 G C -2.411 172.487 174.900 -0.004 0.000 1.347 101 G CA -1.053 44.045 45.100 -0.003 0.000 1.039 101 G HN -0.091 nan 8.290 nan 0.000 0.523 102 P HA 0.220 nan 4.420 nan 0.000 0.275 102 P C -0.100 177.199 177.300 -0.001 0.000 1.228 102 P CA -0.095 63.005 63.100 -0.001 0.000 0.786 102 P CB 0.710 32.412 31.700 0.003 0.000 0.927 103 T N 2.531 117.084 114.554 -0.002 0.000 2.930 103 T HA 0.219 4.607 4.350 0.063 0.000 0.306 103 T C 0.534 175.238 174.700 0.006 0.000 1.045 103 T CA -0.020 62.079 62.100 -0.002 0.000 1.134 103 T CB -0.061 68.803 68.868 -0.006 0.000 0.961 103 T HN 0.186 nan 8.240 nan 0.000 0.545 104 L N 3.286 124.515 121.223 0.009 0.000 2.343 104 L HA 0.344 4.721 4.340 0.063 0.000 0.275 104 L C 1.373 178.261 176.870 0.029 0.000 1.056 104 L CA -0.822 54.029 54.840 0.019 0.000 0.804 104 L CB 0.859 42.932 42.059 0.024 0.000 1.203 104 L HN 0.491 nan 8.230 nan 0.000 0.440 105 L N 2.066 123.310 121.223 0.035 0.000 2.201 105 L HA -0.163 4.215 4.340 0.063 0.000 0.212 105 L C 2.309 179.220 176.870 0.069 0.000 1.105 105 L CA 1.582 56.449 54.840 0.045 0.000 0.775 105 L CB -0.580 41.503 42.059 0.040 0.000 0.913 105 L HN 0.808 nan 8.230 nan 0.000 0.440 106 E N -1.372 118.873 120.200 0.075 0.000 2.515 106 E HA -0.202 4.186 4.350 0.063 0.000 0.201 106 E C 0.217 176.925 176.600 0.180 0.000 1.071 106 E CA 0.325 56.797 56.400 0.120 0.000 0.880 106 E CB -0.554 29.207 29.700 0.101 0.000 0.828 106 E HN 0.376 nan 8.360 nan 0.000 0.540 107 D N 1.147 121.606 120.400 0.098 0.000 2.489 107 D HA -0.053 4.625 4.640 0.063 0.000 0.237 107 D C 0.437 176.755 176.300 0.029 0.000 1.212 107 D CA -0.422 53.593 54.000 0.024 0.000 1.058 107 D CB -0.266 40.514 40.800 -0.034 0.000 1.098 107 D HN 0.330 nan 8.370 nan 0.000 0.509 108 F N 1.606 121.564 119.950 0.015 0.000 2.407 108 F HA 0.071 4.636 4.527 0.062 0.000 0.299 108 F C 1.625 177.437 175.800 0.021 0.000 1.097 108 F CA 0.099 58.111 58.000 0.020 0.000 1.422 108 F CB -0.637 38.374 39.000 0.019 0.000 1.067 108 F HN 0.157 nan 8.300 nan 0.000 0.539 109 I N 0.477 120.583 120.570 -0.774 0.000 2.163 109 I HA -0.221 3.987 4.170 0.063 0.000 0.240 109 I C 2.524 178.522 176.117 -0.197 0.000 1.081 109 I CA 1.184 62.178 61.300 -0.510 0.000 1.353 109 I CB -0.629 37.020 38.000 -0.585 0.000 1.054 109 I HN 0.271 nan 8.210 nan 0.000 0.407 110 L N 1.177 122.303 121.223 -0.163 0.000 1.990 110 L HA -0.247 4.131 4.340 0.063 0.000 0.213 110 L C 2.669 179.526 176.870 -0.022 0.000 1.072 110 L CA 1.963 56.755 54.840 -0.080 0.000 0.755 110 L CB -0.552 41.468 42.059 -0.065 0.000 0.889 110 L HN 0.068 nan 8.230 nan 0.000 0.432 111 R N -0.766 119.740 120.500 0.011 0.000 2.115 111 R HA -0.165 4.213 4.340 0.063 0.000 0.230 111 R C 2.305 178.658 176.300 0.089 0.000 1.111 111 R CA 1.417 57.553 56.100 0.060 0.000 0.976 111 R CB -0.331 30.021 30.300 0.086 0.000 0.870 111 R HN 0.601 nan 8.270 nan 0.000 0.445 112 E N 1.168 121.423 120.200 0.091 0.000 2.047 112 E HA -0.225 4.162 4.350 0.063 0.000 0.191 112 E C 1.908 178.583 176.600 0.125 0.000 0.987 112 E CA 1.176 57.649 56.400 0.122 0.000 0.799 112 E CB 0.134 29.908 29.700 0.122 0.000 0.752 112 E HN 0.135 nan 8.360 nan 0.000 0.449 113 K N 0.324 120.765 120.400 0.070 0.000 2.009 113 K HA -0.158 4.199 4.320 0.063 0.000 0.210 113 K C 2.144 178.815 176.600 0.119 0.000 1.049 113 K CA 1.490 57.819 56.287 0.069 0.000 0.929 113 K CB -0.060 32.437 32.500 -0.004 0.000 0.714 113 K HN 0.143 nan 8.250 nan 0.000 0.440 114 I N 1.356 121.975 120.570 0.082 0.000 2.226 114 I HA -0.210 3.997 4.170 0.063 0.000 0.245 114 I C 2.199 178.421 176.117 0.175 0.000 1.100 114 I CA 1.450 62.817 61.300 0.111 0.000 1.374 114 I CB -1.597 36.432 38.000 0.048 0.000 1.057 114 I HN 0.263 nan 8.210 nan 0.000 0.413 115 T N -0.215 114.435 114.554 0.159 0.000 2.684 115 T HA -0.237 4.151 4.350 0.063 0.000 0.267 115 T C 1.962 176.789 174.700 0.212 0.000 1.036 115 T CA 1.521 63.737 62.100 0.194 0.000 1.148 115 T CB -0.522 68.473 68.868 0.211 0.000 0.863 115 T HN 0.342 nan 8.240 nan 0.000 0.436 116 H N -0.027 119.135 119.070 0.154 0.000 2.352 116 H HA -0.101 4.493 4.556 0.063 0.000 0.299 116 H C 2.189 177.573 175.328 0.093 0.000 1.097 116 H CA 1.808 57.931 56.048 0.125 0.000 1.311 116 H CB -0.470 29.346 29.762 0.089 0.000 1.377 116 H HN 0.409 nan 8.280 nan 0.000 0.504 117 F N 2.000 121.999 119.950 0.081 0.000 2.102 117 F HA -0.190 4.376 4.527 0.064 0.000 0.298 117 F C 1.975 177.710 175.800 -0.109 0.000 1.105 117 F CA 1.700 59.701 58.000 0.001 0.000 1.239 117 F CB -0.321 38.675 39.000 -0.007 0.000 0.991 117 F HN 0.045 nan 8.300 nan 0.000 0.474 118 D N -1.088 119.222 120.400 -0.150 0.000 2.309 118 D HA -0.145 4.532 4.640 0.063 0.000 0.212 118 D C 1.243 177.120 176.300 -0.705 0.000 0.968 118 D CA 1.186 54.920 54.000 -0.444 0.000 0.882 118 D CB -0.370 40.157 40.800 -0.455 0.000 0.918 118 D HN 0.506 nan 8.370 nan 0.000 0.503 119 H N -0.598 118.355 119.070 -0.195 0.000 2.581 119 H HA 0.224 4.818 4.556 0.063 0.000 0.275 119 H C 1.098 176.271 175.328 -0.259 0.000 1.126 119 H CA -0.129 55.802 56.048 -0.195 0.000 1.097 119 H CB 0.528 30.195 29.762 -0.159 0.000 1.626 119 H HN 0.265 nan 8.280 nan 0.000 0.565 120 E N 0.788 120.823 120.200 -0.275 0.000 2.153 120 E HA -0.056 4.332 4.350 0.063 0.000 0.194 120 E C 0.510 176.957 176.600 -0.256 0.000 0.988 120 E CA 0.638 56.849 56.400 -0.314 0.000 0.811 120 E CB 0.423 29.907 29.700 -0.360 0.000 0.746 120 E HN 0.163 nan 8.360 nan 0.000 0.466 121 R N 1.141 121.552 120.500 -0.149 0.000 2.410 121 R HA 0.364 4.741 4.340 0.063 0.000 0.288 121 R C 0.434 176.778 176.300 0.073 0.000 1.051 121 R CA -0.230 55.854 56.100 -0.027 0.000 1.021 121 R CB 0.781 31.055 30.300 -0.043 0.000 1.032 121 R HN 0.156 nan 8.270 nan 0.000 0.481 122 I N -1.065 119.614 120.570 0.182 0.000 2.957 122 I HA 0.594 4.801 4.170 0.063 0.000 0.310 122 I C -2.261 173.927 176.117 0.118 0.000 1.063 122 I CA -3.020 58.377 61.300 0.162 0.000 1.033 122 I CB 1.781 39.912 38.000 0.218 0.000 1.230 122 I HN 0.234 nan 8.210 nan 0.000 0.447 123 P HA 0.096 nan 4.420 nan 0.000 0.268 123 P C -0.820 176.517 177.300 0.061 0.000 1.204 123 P CA -0.063 63.071 63.100 0.057 0.000 0.768 123 P CB 0.429 32.152 31.700 0.038 0.000 0.842 124 E N 2.970 123.208 120.200 0.063 0.000 2.391 124 E HA 0.165 4.553 4.350 0.063 0.000 0.255 124 E C -0.470 176.162 176.600 0.053 0.000 1.187 124 E CA -0.806 55.636 56.400 0.070 0.000 0.941 124 E CB 0.580 30.328 29.700 0.079 0.000 1.010 124 E HN 0.268 nan 8.360 nan 0.000 0.458 125 R N 0.725 121.262 120.500 0.061 0.000 2.585 125 R HA -0.002 4.376 4.340 0.063 0.000 0.275 125 R C 1.363 177.703 176.300 0.067 0.000 1.018 125 R CA -0.409 55.725 56.100 0.057 0.000 1.072 125 R CB 0.244 30.598 30.300 0.089 0.000 0.953 125 R HN 0.561 nan 8.270 nan 0.000 0.419 126 I N 1.991 122.594 120.570 0.055 0.000 2.194 126 I HA -0.178 4.029 4.170 0.063 0.000 0.246 126 I C 1.235 177.410 176.117 0.097 0.000 1.093 126 I CA 1.642 62.985 61.300 0.071 0.000 1.355 126 I CB -1.127 36.918 38.000 0.076 0.000 1.046 126 I HN 0.400 nan 8.210 nan 0.000 0.413 127 V N -3.565 116.441 119.914 0.153 0.000 3.078 127 V HA 0.516 4.673 4.120 0.063 0.000 0.311 127 V C 0.395 176.662 176.094 0.287 0.000 1.138 127 V CA -0.857 61.556 62.300 0.188 0.000 1.007 127 V CB 1.870 33.873 31.823 0.299 0.000 1.045 127 V HN 0.419 nan 8.190 nan 0.000 0.432 128 H N 0.326 119.463 119.070 0.112 0.000 2.936 128 H HA -0.217 4.377 4.556 0.063 0.000 0.276 128 H C 1.537 176.916 175.328 0.085 0.000 1.216 128 H CA 0.803 56.910 56.048 0.099 0.000 1.132 128 H CB -1.275 28.535 29.762 0.080 0.000 1.303 128 H HN 1.181 nan 8.280 nan 0.000 0.370 129 A N 0.798 123.714 122.820 0.159 0.000 2.070 129 A HA -0.099 4.259 4.320 0.063 0.000 0.220 129 A C 1.666 179.344 177.584 0.156 0.000 1.159 129 A CA 1.328 53.448 52.037 0.137 0.000 0.656 129 A CB -0.101 18.959 19.000 0.100 0.000 0.800 129 A HN 0.285 nan 8.150 nan 0.000 0.453 130 R N 0.040 120.634 120.500 0.156 0.000 2.207 130 R HA 0.526 4.904 4.340 0.063 0.000 0.334 130 R C -0.134 176.296 176.300 0.216 0.000 1.013 130 R CA 0.702 56.912 56.100 0.184 0.000 0.858 130 R CB 0.430 30.825 30.300 0.157 0.000 1.094 130 R HN 0.298 nan 8.270 nan 0.000 0.457 131 G N 0.801 109.754 108.800 0.255 0.000 2.646 131 G HA2 0.515 4.512 3.960 0.063 0.000 0.291 131 G HA3 0.515 4.512 3.960 0.063 0.000 0.291 131 G C -1.641 173.410 174.900 0.253 0.000 1.445 131 G CA -0.619 44.594 45.100 0.188 0.000 0.814 131 G HN 0.498 nan 8.290 nan 0.000 0.495 132 S N -1.024 114.756 115.700 0.134 0.000 2.571 132 S HA 0.869 5.376 4.470 0.063 0.000 0.284 132 S C -0.200 174.394 174.600 -0.008 0.000 1.128 132 S CA -0.117 58.222 58.200 0.233 0.000 0.970 132 S CB 1.683 65.136 63.200 0.423 0.000 1.039 132 S HN 1.588 nan 8.310 nan 0.000 0.485 133 A N 1.717 124.496 122.820 -0.067 0.000 2.469 133 A HA 1.037 5.395 4.320 0.063 0.000 0.299 133 A C -0.851 176.530 177.584 -0.339 0.000 1.098 133 A CA -0.708 51.065 52.037 -0.441 0.000 0.737 133 A CB 1.647 20.238 19.000 -0.681 0.000 1.312 133 A HN 1.343 nan 8.150 nan 0.000 0.414 134 A N 0.528 122.998 122.820 -0.583 0.000 2.609 134 A HA 0.726 5.083 4.320 0.063 0.000 0.291 134 A C -1.018 176.372 177.584 -0.324 0.000 1.096 134 A CA -0.675 51.180 52.037 -0.303 0.000 0.684 134 A CB 0.712 19.622 19.000 -0.150 0.000 1.282 134 A HN 0.890 nan 8.150 nan 0.000 0.412 135 H N -0.360 118.738 119.070 0.046 0.000 2.505 135 H HA 0.667 5.261 4.556 0.063 0.000 0.355 135 H C 0.653 175.973 175.328 -0.015 0.000 1.179 135 H CA 0.810 56.931 56.048 0.122 0.000 1.343 135 H CB 1.753 31.583 29.762 0.114 0.000 1.501 135 H HN 1.138 nan 8.280 nan 0.000 0.569 136 G N 0.432 109.319 108.800 0.144 0.000 2.510 136 G HA2 0.348 4.346 3.960 0.063 0.000 0.277 136 G HA3 0.348 4.346 3.960 0.063 0.000 0.277 136 G C -2.050 172.961 174.900 0.186 0.000 1.223 136 G CA -0.583 44.558 45.100 0.069 0.000 0.887 136 G HN 0.646 nan 8.290 nan 0.000 0.485 137 Y N -1.808 118.529 120.300 0.062 0.000 2.609 137 Y HA 0.837 5.425 4.550 0.062 0.000 0.336 137 Y C -1.831 174.207 175.900 0.231 0.000 1.129 137 Y CA -2.001 56.179 58.100 0.133 0.000 1.040 137 Y CB 1.792 40.302 38.460 0.084 0.000 1.310 137 Y HN 0.915 nan 8.280 nan 0.000 0.460 138 F N 2.909 123.003 119.950 0.240 0.000 2.588 138 F HA 0.682 5.248 4.527 0.064 0.000 0.310 138 F C -1.554 174.440 175.800 0.324 0.000 1.082 138 F CA -0.509 57.637 58.000 0.244 0.000 0.929 138 F CB 2.229 41.498 39.000 0.450 0.000 1.254 138 F HN 0.819 nan 8.300 nan 0.000 0.455 139 Q N 5.430 124.696 119.800 -0.888 0.000 2.377 139 Q HA 0.608 4.986 4.340 0.063 0.000 0.279 139 Q C -3.341 171.954 176.000 -1.176 0.000 1.049 139 Q CA -2.265 53.095 55.803 -0.737 0.000 0.825 139 Q CB 2.938 31.583 28.738 -0.156 0.000 1.401 139 Q HN 0.323 nan 8.270 nan 0.000 0.404 140 P HA 0.117 nan 4.420 nan 0.000 0.279 140 P C -0.429 176.710 177.300 -0.268 0.000 1.252 140 P CA -0.260 62.574 63.100 -0.443 0.000 0.811 140 P CB 0.710 32.331 31.700 -0.132 0.000 1.035 141 Y N 0.311 120.549 120.300 -0.104 0.000 2.286 141 Y HA -0.025 4.563 4.550 0.064 0.000 0.293 141 Y C 1.427 177.299 175.900 -0.047 0.000 1.124 141 Y CA 0.522 58.583 58.100 -0.064 0.000 1.178 141 Y CB 0.240 38.671 38.460 -0.047 0.000 1.010 141 Y HN 0.338 nan 8.280 nan 0.000 0.536 142 K N -0.823 119.635 120.400 0.097 0.000 2.536 142 K HA 0.396 4.753 4.320 0.063 0.000 0.269 142 K C -0.859 175.743 176.600 0.003 0.000 0.965 142 K CA -0.937 55.378 56.287 0.047 0.000 0.860 142 K CB 1.675 34.206 32.500 0.050 0.000 1.423 142 K HN -0.228 nan 8.250 nan 0.000 0.438 143 S N 1.416 117.115 115.700 -0.001 0.000 2.546 143 S HA 0.084 4.592 4.470 0.063 0.000 0.290 143 S C 0.460 175.047 174.600 -0.022 0.000 1.290 143 S CA -0.525 57.666 58.200 -0.016 0.000 1.069 143 S CB -0.216 62.979 63.200 -0.008 0.000 0.846 143 S HN 0.573 nan 8.310 nan 0.000 0.495 144 L N 4.921 126.118 121.223 -0.043 0.000 2.791 144 L HA 0.117 4.494 4.340 0.063 0.000 0.239 144 L C 2.093 178.945 176.870 -0.030 0.000 1.203 144 L CA 0.018 54.840 54.840 -0.030 0.000 1.002 144 L CB -0.340 41.700 42.059 -0.032 0.000 1.295 144 L HN 0.866 nan 8.230 nan 0.000 0.504 145 S N -1.586 114.095 115.700 -0.032 0.000 2.440 145 S HA -0.212 4.296 4.470 0.063 0.000 0.240 145 S C 1.302 175.885 174.600 -0.028 0.000 1.014 145 S CA 1.251 59.432 58.200 -0.033 0.000 0.980 145 S CB -0.200 62.986 63.200 -0.024 0.000 0.775 145 S HN 0.411 nan 8.310 nan 0.000 0.499 146 D N 1.975 122.364 120.400 -0.019 0.000 2.218 146 D HA -0.003 4.674 4.640 0.063 0.000 0.204 146 D C 1.833 178.118 176.300 -0.025 0.000 0.976 146 D CA 1.452 55.442 54.000 -0.018 0.000 0.853 146 D CB -0.198 40.598 40.800 -0.007 0.000 0.939 146 D HN 0.808 nan 8.370 nan 0.000 0.481 147 I N -4.209 116.347 120.570 -0.023 0.000 4.139 147 I HA 0.209 4.417 4.170 0.063 0.000 0.320 147 I C 0.467 176.544 176.117 -0.066 0.000 1.290 147 I CA 0.045 61.324 61.300 -0.035 0.000 1.253 147 I CB 1.091 39.094 38.000 0.005 0.000 1.122 147 I HN -0.254 nan 8.210 nan 0.000 0.421 148 T N 1.778 116.295 114.554 -0.062 0.000 2.956 148 T HA 0.324 4.712 4.350 0.063 0.000 0.312 148 T C 0.057 174.703 174.700 -0.090 0.000 1.151 148 T CA -0.712 61.332 62.100 -0.094 0.000 1.024 148 T CB 1.805 70.608 68.868 -0.108 0.000 1.140 148 T HN 0.424 nan 8.240 nan 0.000 0.473 149 K N 2.521 122.866 120.400 -0.092 0.000 2.417 149 K HA 0.542 4.900 4.320 0.063 0.000 0.196 149 K C 0.757 177.316 176.600 -0.067 0.000 1.023 149 K CA -0.338 55.907 56.287 -0.070 0.000 1.122 149 K CB 0.230 32.695 32.500 -0.059 0.000 0.850 149 K HN 0.487 nan 8.250 nan 0.000 0.521 150 A N 2.176 124.932 122.820 -0.106 0.000 2.546 150 A HA -0.058 4.300 4.320 0.063 0.000 0.243 150 A C 0.528 178.069 177.584 -0.072 0.000 1.063 150 A CA 0.125 52.108 52.037 -0.090 0.000 0.757 150 A CB 0.160 19.051 19.000 -0.182 0.000 0.991 150 A HN 0.468 nan 8.150 nan 0.000 0.503 151 D N 1.847 122.287 120.400 0.066 0.000 2.183 151 D HA -0.165 4.513 4.640 0.063 0.000 0.203 151 D C 1.314 177.688 176.300 0.124 0.000 0.969 151 D CA 1.820 55.870 54.000 0.083 0.000 0.842 151 D CB -0.218 40.651 40.800 0.116 0.000 0.957 151 D HN 0.698 nan 8.370 nan 0.000 0.484 152 F N -0.419 119.551 119.950 0.033 0.000 2.546 152 F HA 0.168 4.733 4.527 0.063 0.000 0.298 152 F C 0.924 176.816 175.800 0.152 0.000 1.120 152 F CA 0.398 58.459 58.000 0.101 0.000 1.456 152 F CB -0.221 38.829 39.000 0.083 0.000 1.088 152 F HN -0.068 nan 8.300 nan 0.000 0.572 153 L N 0.796 121.719 121.223 -0.499 0.000 2.818 153 L HA 0.214 4.592 4.340 0.063 0.000 0.243 153 L C 1.778 178.557 176.870 -0.151 0.000 1.185 153 L CA 0.346 54.965 54.840 -0.368 0.000 0.988 153 L CB -0.100 41.631 42.059 -0.547 0.000 1.292 153 L HN 0.330 nan 8.230 nan 0.000 0.519 154 S N -2.686 112.970 115.700 -0.073 0.000 2.517 154 S HA 0.081 4.589 4.470 0.063 0.000 0.214 154 S C 0.329 174.924 174.600 -0.007 0.000 0.991 154 S CA -0.214 57.964 58.200 -0.036 0.000 0.906 154 S CB 0.225 63.416 63.200 -0.015 0.000 0.789 154 S HN 0.309 nan 8.310 nan 0.000 0.513 155 D N 1.013 121.418 120.400 0.009 0.000 2.764 155 D HA 0.334 5.011 4.640 0.063 0.000 0.227 155 D C -2.552 173.759 176.300 0.019 0.000 1.347 155 D CA -1.835 52.177 54.000 0.020 0.000 0.953 155 D CB 2.178 42.997 40.800 0.032 0.000 1.476 155 D HN -0.137 nan 8.370 nan 0.000 0.585 156 P HA -0.014 nan 4.420 nan 0.000 0.228 156 P C 0.248 177.558 177.300 0.016 0.000 1.151 156 P CA 0.551 63.656 63.100 0.007 0.000 0.770 156 P CB 0.420 32.138 31.700 0.030 0.000 0.786 157 N N -0.447 118.269 118.700 0.027 0.000 2.214 157 N HA 0.079 4.856 4.740 0.063 0.000 0.214 157 N C 0.247 175.783 175.510 0.043 0.000 1.132 157 N CA 0.052 53.121 53.050 0.031 0.000 0.856 157 N CB 0.730 39.232 38.487 0.026 0.000 1.020 157 N HN 0.228 nan 8.380 nan 0.000 0.509 158 K N 1.384 121.820 120.400 0.061 0.000 2.263 158 K HA 0.395 4.753 4.320 0.063 0.000 0.272 158 K C -0.247 176.437 176.600 0.138 0.000 1.033 158 K CA -0.401 55.942 56.287 0.094 0.000 0.884 158 K CB 1.602 34.166 32.500 0.107 0.000 1.107 158 K HN -0.056 nan 8.250 nan 0.000 0.460 159 I N 1.923 122.576 120.570 0.138 0.000 2.440 159 I HA 0.127 4.335 4.170 0.063 0.000 0.294 159 I C 0.265 176.545 176.117 0.271 0.000 0.995 159 I CA -0.110 61.310 61.300 0.200 0.000 1.306 159 I CB 1.642 39.714 38.000 0.120 0.000 1.407 159 I HN 0.394 nan 8.210 nan 0.000 0.501 160 T N 6.736 121.535 114.554 0.408 0.000 2.786 160 T HA 0.365 4.753 4.350 0.063 0.000 0.283 160 T C -2.499 172.455 174.700 0.425 0.000 0.992 160 T CA -1.373 60.988 62.100 0.435 0.000 0.954 160 T CB 1.532 70.763 68.868 0.605 0.000 0.934 160 T HN 0.228 nan 8.240 nan 0.000 0.440 161 P HA 0.242 nan 4.420 nan 0.000 0.269 161 P C -0.604 176.929 177.300 0.389 0.000 1.209 161 P CA -0.391 62.903 63.100 0.323 0.000 0.776 161 P CB 0.505 32.324 31.700 0.199 0.000 0.876 162 V N -0.258 119.826 119.914 0.283 0.000 3.102 162 V HA 0.752 4.909 4.120 0.063 0.000 0.312 162 V C -1.272 174.978 176.094 0.259 0.000 1.135 162 V CA -0.958 61.415 62.300 0.122 0.000 1.022 162 V CB 2.251 33.923 31.823 -0.251 0.000 1.056 162 V HN 0.344 nan 8.190 nan 0.000 0.436 163 F N 1.453 121.367 119.950 -0.060 0.000 2.561 163 F HA 0.847 5.411 4.527 0.062 0.000 0.313 163 F C -0.992 174.692 175.800 -0.193 0.000 1.126 163 F CA -0.705 57.203 58.000 -0.154 0.000 0.918 163 F CB 2.070 41.002 39.000 -0.113 0.000 1.199 163 F HN 0.521 nan 8.300 nan 0.000 0.444 164 V N 6.424 125.843 119.914 -0.826 0.000 2.540 164 V HA 0.580 4.738 4.120 0.063 0.000 0.302 164 V C -0.731 174.678 176.094 -1.141 0.000 1.035 164 V CA -0.830 60.932 62.300 -0.897 0.000 0.873 164 V CB 1.983 33.216 31.823 -0.983 0.000 0.992 164 V HN 0.747 nan 8.190 nan 0.000 0.428 165 R N 3.375 123.212 120.500 -1.105 0.000 2.480 165 R HA 0.645 5.023 4.340 0.063 0.000 0.306 165 R C -1.525 174.135 176.300 -1.067 0.000 0.958 165 R CA -0.420 55.105 56.100 -0.958 0.000 0.861 165 R CB 1.169 31.083 30.300 -0.643 0.000 1.171 165 R HN 0.555 nan 8.270 nan 0.000 0.445 166 F N 1.678 121.194 119.950 -0.723 0.000 2.403 166 F HA 0.553 5.118 4.527 0.064 0.000 0.326 166 F C 0.526 175.958 175.800 -0.613 0.000 1.081 166 F CA -0.299 57.161 58.000 -0.900 0.000 1.041 166 F CB 2.051 39.997 39.000 -1.757 0.000 1.234 166 F HN 0.577 nan 8.300 nan 0.000 0.503 167 S N -1.319 114.304 115.700 -0.128 0.000 2.588 167 S HA 0.625 5.133 4.470 0.063 0.000 0.269 167 S C -0.634 174.128 174.600 0.270 0.000 1.157 167 S CA -0.878 57.403 58.200 0.136 0.000 0.824 167 S CB 1.315 64.640 63.200 0.209 0.000 1.126 167 S HN 0.762 nan 8.310 nan 0.000 0.464 168 T N -1.523 113.179 114.554 0.247 0.000 2.891 168 T HA 0.705 5.092 4.350 0.063 0.000 0.294 168 T C 0.787 175.472 174.700 -0.025 0.000 1.065 168 T CA -0.116 62.087 62.100 0.172 0.000 0.936 168 T CB 0.353 69.323 68.868 0.171 0.000 1.415 168 T HN 0.623 nan 8.240 nan 0.000 0.572 169 V N -0.104 119.748 119.914 -0.103 0.000 2.948 169 V HA 0.138 4.296 4.120 0.063 0.000 0.234 169 V C 2.693 178.713 176.094 -0.123 0.000 1.205 169 V CA 0.345 62.456 62.300 -0.314 0.000 1.234 169 V CB -0.203 31.514 31.823 -0.177 0.000 1.020 169 V HN 0.863 nan 8.190 nan 0.000 0.491 170 Q N 0.987 120.753 119.800 -0.056 0.000 2.123 170 Q HA 0.107 4.484 4.340 0.063 0.000 0.196 170 Q C 1.223 177.202 176.000 -0.034 0.000 0.958 170 Q CA 1.252 57.020 55.803 -0.059 0.000 0.841 170 Q CB 0.051 28.739 28.738 -0.083 0.000 0.915 170 Q HN 0.581 nan 8.270 nan 0.000 0.455 171 G N -0.170 108.625 108.800 -0.008 0.000 2.537 171 G HA2 0.436 4.434 3.960 0.063 0.000 0.273 171 G HA3 0.436 4.434 3.960 0.063 0.000 0.273 171 G C 0.065 174.976 174.900 0.019 0.000 1.189 171 G CA 0.032 45.132 45.100 -0.001 0.000 0.881 171 G HN 0.308 nan 8.290 nan 0.000 0.535 172 G N -1.157 107.651 108.800 0.012 0.000 2.684 172 G HA2 0.464 4.461 3.960 0.063 0.000 0.255 172 G HA3 0.464 4.461 3.960 0.063 0.000 0.255 172 G C 1.367 176.301 174.900 0.056 0.000 1.219 172 G CA 0.456 45.573 45.100 0.029 0.000 0.901 172 G HN 1.107 nan 8.290 nan 0.000 0.548 173 A N -0.416 122.448 122.820 0.074 0.000 2.076 173 A HA 0.085 4.442 4.320 0.063 0.000 0.220 173 A C 2.166 179.791 177.584 0.068 0.000 1.160 173 A CA 2.028 54.127 52.037 0.103 0.000 0.653 173 A CB -0.335 18.745 19.000 0.133 0.000 0.801 173 A HN 1.199 nan 8.150 nan 0.000 0.455 174 G N -0.316 108.505 108.800 0.035 0.000 3.434 174 G HA2 0.367 4.365 3.960 0.063 0.000 0.258 174 G HA3 0.367 4.365 3.960 0.063 0.000 0.258 174 G C 0.571 175.476 174.900 0.008 0.000 1.128 174 G CA 0.637 45.743 45.100 0.010 0.000 0.792 174 G HN 0.634 nan 8.290 nan 0.000 0.539 175 S N -0.291 115.423 115.700 0.023 0.000 2.686 175 S HA 0.784 5.292 4.470 0.063 0.000 0.270 175 S C 0.430 175.049 174.600 0.031 0.000 1.194 175 S CA -0.141 58.070 58.200 0.017 0.000 0.990 175 S CB 1.720 64.933 63.200 0.021 0.000 1.029 175 S HN 0.539 nan 8.310 nan 0.000 0.560 176 A N 0.007 122.842 122.820 0.025 0.000 2.264 176 A HA 0.493 4.851 4.320 0.063 0.000 0.304 176 A C 0.520 178.132 177.584 0.047 0.000 1.100 176 A CA -0.602 51.448 52.037 0.021 0.000 0.839 176 A CB 0.003 18.998 19.000 -0.008 0.000 1.121 176 A HN 0.846 nan 8.150 nan 0.000 0.496 177 D N 0.175 120.592 120.400 0.027 0.000 2.120 177 D HA -0.055 4.623 4.640 0.063 0.000 0.202 177 D C 1.676 177.961 176.300 -0.026 0.000 0.972 177 D CA 2.250 56.278 54.000 0.046 0.000 0.837 177 D CB -0.230 40.560 40.800 -0.016 0.000 0.989 177 D HN 0.667 nan 8.370 nan 0.000 0.469 178 T N -0.203 114.261 114.554 -0.149 0.000 3.330 178 T HA 0.254 4.641 4.350 0.063 0.000 0.249 178 T C 0.881 175.575 174.700 -0.010 0.000 0.980 178 T CA -0.527 61.476 62.100 -0.163 0.000 0.920 178 T CB -0.982 67.717 68.868 -0.282 0.000 1.065 178 T HN -0.068 nan 8.240 nan 0.000 0.588 179 V N -1.139 118.818 119.914 0.072 0.000 3.237 179 V HA 0.398 4.556 4.120 0.063 0.000 0.305 179 V C 0.692 176.929 176.094 0.239 0.000 1.096 179 V CA -1.345 61.051 62.300 0.160 0.000 1.130 179 V CB 0.337 32.238 31.823 0.131 0.000 1.048 179 V HN 0.546 nan 8.190 nan 0.000 0.484 180 R N 1.752 122.441 120.500 0.315 0.000 2.216 180 R HA 0.474 4.852 4.340 0.063 0.000 0.332 180 R C -0.991 175.383 176.300 0.124 0.000 1.056 180 R CA -0.084 56.148 56.100 0.220 0.000 0.901 180 R CB 0.178 30.532 30.300 0.091 0.000 1.039 180 R HN 1.062 nan 8.270 nan 0.000 0.456 181 D N 3.426 123.912 120.400 0.144 0.000 2.742 181 D HA 0.162 4.840 4.640 0.063 0.000 0.262 181 D C -0.570 175.841 176.300 0.185 0.000 1.240 181 D CA -0.616 53.460 54.000 0.126 0.000 0.752 181 D CB 1.224 42.092 40.800 0.113 0.000 1.290 181 D HN 0.238 nan 8.370 nan 0.000 0.420 182 I N 1.555 122.255 120.570 0.215 0.000 2.836 182 I HA 0.161 4.369 4.170 0.063 0.000 0.285 182 I C 0.892 177.151 176.117 0.238 0.000 1.174 182 I CA 0.062 61.503 61.300 0.234 0.000 1.405 182 I CB -0.022 38.153 38.000 0.291 0.000 1.385 182 I HN 0.235 nan 8.210 nan 0.000 0.594 183 R N 3.183 123.846 120.500 0.272 0.000 2.589 183 R HA 0.545 4.923 4.340 0.063 0.000 0.293 183 R C -0.001 176.498 176.300 0.332 0.000 0.963 183 R CA -0.756 55.528 56.100 0.306 0.000 0.905 183 R CB 1.402 31.907 30.300 0.342 0.000 1.144 183 R HN 0.797 nan 8.270 nan 0.000 0.459 184 G N 0.969 109.984 108.800 0.358 0.000 2.420 184 G HA2 0.466 4.463 3.960 0.063 0.000 0.284 184 G HA3 0.466 4.463 3.960 0.063 0.000 0.284 184 G C -1.244 173.752 174.900 0.160 0.000 1.177 184 G CA -0.036 45.248 45.100 0.307 0.000 0.841 184 G HN 0.360 nan 8.290 nan 0.000 0.527 185 F N 1.793 121.657 119.950 -0.144 0.000 3.090 185 F HA 0.620 5.184 4.527 0.062 0.000 0.381 185 F C -0.291 175.227 175.800 -0.469 0.000 1.231 185 F CA -1.788 56.033 58.000 -0.299 0.000 1.177 185 F CB 1.009 39.949 39.000 -0.100 0.000 1.598 185 F HN 0.678 nan 8.300 nan 0.000 0.589 186 A N 3.323 125.880 122.820 -0.438 0.000 2.303 186 A HA 0.792 5.149 4.320 0.063 0.000 0.320 186 A C -0.633 176.517 177.584 -0.723 0.000 1.192 186 A CA -0.453 51.154 52.037 -0.718 0.000 0.821 186 A CB 0.877 19.073 19.000 -1.340 0.000 1.188 186 A HN 0.518 nan 8.150 nan 0.000 0.492 187 T N 2.348 116.647 114.554 -0.426 0.000 2.809 187 T HA 0.390 4.777 4.350 0.063 0.000 0.284 187 T C -0.345 174.166 174.700 -0.315 0.000 0.992 187 T CA -0.475 61.374 62.100 -0.418 0.000 0.957 187 T CB 1.082 69.624 68.868 -0.545 0.000 0.942 187 T HN 0.634 nan 8.240 nan 0.000 0.439 188 K N 3.497 123.776 120.400 -0.202 0.000 2.263 188 K HA 0.465 4.822 4.320 0.063 0.000 0.272 188 K C -1.293 174.956 176.600 -0.585 0.000 1.033 188 K CA -0.571 55.496 56.287 -0.367 0.000 0.884 188 K CB 0.396 32.611 32.500 -0.474 0.000 1.107 188 K HN 0.395 nan 8.250 nan 0.000 0.460 189 F N 3.991 123.626 119.950 -0.526 0.000 2.415 189 F HA 0.255 4.819 4.527 0.061 0.000 0.348 189 F C -0.448 175.120 175.800 -0.385 0.000 1.119 189 F CA -0.579 57.181 58.000 -0.400 0.000 1.069 189 F CB 0.863 39.529 39.000 -0.557 0.000 1.124 189 F HN 0.444 nan 8.300 nan 0.000 0.472 190 Y N 1.814 122.170 120.300 0.094 0.000 2.802 190 Y HA 0.243 4.831 4.550 0.062 0.000 0.330 190 Y C 0.915 176.865 175.900 0.084 0.000 1.193 190 Y CA -0.879 57.254 58.100 0.056 0.000 1.427 190 Y CB 0.056 38.537 38.460 0.036 0.000 1.357 190 Y HN 0.548 nan 8.280 nan 0.000 0.501 191 T N -2.491 112.152 114.554 0.149 0.000 2.847 191 T HA 0.173 4.561 4.350 0.063 0.000 0.279 191 T C 1.022 175.812 174.700 0.150 0.000 0.984 191 T CA -0.708 61.487 62.100 0.158 0.000 0.988 191 T CB 1.090 70.028 68.868 0.117 0.000 1.040 191 T HN 0.639 nan 8.240 nan 0.000 0.528 192 E N 0.105 120.398 120.200 0.155 0.000 2.409 192 E HA -0.067 4.321 4.350 0.063 0.000 0.198 192 E C 0.960 177.625 176.600 0.109 0.000 1.024 192 E CA 0.819 57.292 56.400 0.123 0.000 0.861 192 E CB 0.098 29.868 29.700 0.116 0.000 0.788 192 E HN 0.740 nan 8.360 nan 0.000 0.521 193 E N -0.081 120.187 120.200 0.113 0.000 2.734 193 E HA 0.271 4.659 4.350 0.063 0.000 0.211 193 E C -0.006 176.644 176.600 0.083 0.000 0.991 193 E CA -0.270 56.189 56.400 0.099 0.000 1.065 193 E CB 1.426 31.188 29.700 0.103 0.000 1.047 193 E HN 0.169 nan 8.360 nan 0.000 0.470 194 G N 1.010 109.853 108.800 0.071 0.000 2.334 194 G HA2 -0.058 3.939 3.960 0.063 0.000 0.566 194 G HA3 -0.058 3.939 3.960 0.063 0.000 0.566 194 G C -0.917 173.991 174.900 0.013 0.000 1.413 194 G CA -1.138 43.981 45.100 0.032 0.000 0.993 194 G HN 0.071 nan 8.290 nan 0.000 0.642 195 I N 0.853 121.396 120.570 -0.045 0.000 2.533 195 I HA 0.328 4.536 4.170 0.063 0.000 0.284 195 I C 0.024 176.143 176.117 0.004 0.000 1.109 195 I CA -0.079 61.167 61.300 -0.090 0.000 1.412 195 I CB 0.723 38.606 38.000 -0.196 0.000 1.396 195 I HN 0.437 nan 8.210 nan 0.000 0.543 196 F N 6.975 126.811 119.950 -0.189 0.000 2.426 196 F HA 0.419 4.982 4.527 0.060 0.000 0.348 196 F C -0.654 175.099 175.800 -0.078 0.000 1.124 196 F CA -1.244 56.640 58.000 -0.192 0.000 1.008 196 F CB 0.758 39.472 39.000 -0.476 0.000 1.139 196 F HN 0.327 nan 8.300 nan 0.000 0.452 197 D N 7.120 127.305 120.400 -0.357 0.000 2.349 197 D HA 0.233 4.911 4.640 0.063 0.000 0.232 197 D C -0.606 175.245 176.300 -0.747 0.000 1.071 197 D CA -0.004 53.736 54.000 -0.432 0.000 0.832 197 D CB 2.232 42.974 40.800 -0.097 0.000 1.086 197 D HN 0.624 nan 8.370 nan 0.000 0.504 198 L N 3.136 123.844 121.223 -0.858 0.000 2.259 198 L HA 0.291 4.669 4.340 0.063 0.000 0.288 198 L C -1.002 175.651 176.870 -0.363 0.000 1.051 198 L CA -0.581 53.849 54.840 -0.684 0.000 0.824 198 L CB 0.650 42.332 42.059 -0.628 0.000 1.206 198 L HN 0.042 nan 8.230 nan 0.000 0.429 199 V N 5.578 125.322 119.914 -0.284 0.000 2.275 199 V HA 0.563 4.721 4.120 0.063 0.000 0.272 199 V C 0.682 176.682 176.094 -0.156 0.000 1.028 199 V CA -0.305 61.836 62.300 -0.265 0.000 0.810 199 V CB 0.693 32.314 31.823 -0.336 0.000 1.043 199 V HN 0.847 nan 8.190 nan 0.000 0.453 200 G N 3.301 112.026 108.800 -0.125 0.000 3.013 200 G HA2 0.669 4.666 3.960 0.063 0.000 0.278 200 G HA3 0.669 4.666 3.960 0.063 0.000 0.278 200 G C -0.991 173.935 174.900 0.044 0.000 1.353 200 G CA -0.587 44.492 45.100 -0.034 0.000 1.043 200 G HN 0.465 nan 8.290 nan 0.000 0.523 201 N N -0.996 117.774 118.700 0.118 0.000 2.966 201 N HA 0.260 5.038 4.740 0.063 0.000 0.314 201 N C 0.403 176.093 175.510 0.300 0.000 1.397 201 N CA -0.735 52.444 53.050 0.216 0.000 0.776 201 N CB 1.395 39.995 38.487 0.188 0.000 1.576 201 N HN 0.531 nan 8.380 nan 0.000 0.592 202 N N -1.343 117.553 118.700 0.326 0.000 2.270 202 N HA -0.004 4.773 4.740 0.063 0.000 0.198 202 N C -0.391 175.369 175.510 0.417 0.000 1.117 202 N CA -0.065 53.231 53.050 0.411 0.000 0.845 202 N CB -0.096 38.607 38.487 0.360 0.000 0.980 202 N HN 0.552 nan 8.380 nan 0.000 0.486 203 T N -3.553 111.055 114.554 0.091 0.000 2.916 203 T HA 0.484 4.872 4.350 0.063 0.000 0.292 203 T C -2.636 171.405 174.700 -1.098 0.000 1.064 203 T CA -1.629 60.064 62.100 -0.678 0.000 1.011 203 T CB 2.819 71.155 68.868 -0.887 0.000 1.152 203 T HN -0.229 nan 8.240 nan 0.000 0.510 204 P HA 0.247 nan 4.420 nan 0.000 0.257 204 P C 0.241 177.033 177.300 -0.847 0.000 1.281 204 P CA -0.032 62.173 63.100 -1.493 0.000 0.826 204 P CB -0.153 30.645 31.700 -1.504 0.000 1.237 205 I N -4.626 115.432 120.570 -0.854 0.000 3.467 205 I HA 0.552 4.760 4.170 0.063 0.000 0.314 205 I C -1.504 174.369 176.117 -0.407 0.000 1.177 205 I CA -1.850 59.098 61.300 -0.588 0.000 0.943 205 I CB 1.393 38.995 38.000 -0.663 0.000 1.338 205 I HN -0.230 nan 8.210 nan 0.000 0.482 206 F N -0.113 119.560 119.950 -0.461 0.000 2.654 206 F HA 0.518 5.084 4.527 0.065 0.000 0.334 206 F C 0.307 175.855 175.800 -0.421 0.000 1.078 206 F CA -0.775 56.984 58.000 -0.402 0.000 0.986 206 F CB 2.036 40.944 39.000 -0.152 0.000 1.362 206 F HN 0.366 nan 8.300 nan 0.000 0.498 207 F N 2.101 121.319 119.950 -1.220 0.000 2.325 207 F HA 0.044 4.608 4.527 0.062 0.000 0.299 207 F C 0.655 176.176 175.800 -0.466 0.000 1.090 207 F CA 0.798 58.258 58.000 -0.900 0.000 1.392 207 F CB -0.129 37.916 39.000 -1.592 0.000 1.053 207 F HN 0.120 nan 8.300 nan 0.000 0.521 208 I N -3.500 117.045 120.570 -0.042 0.000 3.002 208 I HA 0.383 4.591 4.170 0.063 0.000 0.310 208 I C 0.358 176.624 176.117 0.248 0.000 1.087 208 I CA -0.871 60.522 61.300 0.154 0.000 1.017 208 I CB 1.901 40.051 38.000 0.249 0.000 1.226 208 I HN -0.187 nan 8.210 nan 0.000 0.443 209 Q N 0.344 120.291 119.800 0.245 0.000 2.226 209 Q HA 0.123 4.501 4.340 0.063 0.000 0.199 209 Q C -0.205 175.964 176.000 0.281 0.000 0.945 209 Q CA 0.771 56.757 55.803 0.305 0.000 0.861 209 Q CB 0.430 29.416 28.738 0.413 0.000 0.953 209 Q HN 0.645 nan 8.270 nan 0.000 0.490 210 D N -1.194 119.345 120.400 0.231 0.000 2.375 210 D HA 0.294 4.972 4.640 0.063 0.000 0.247 210 D C 0.067 176.489 176.300 0.204 0.000 1.061 210 D CA -0.156 53.949 54.000 0.176 0.000 0.834 210 D CB 1.824 42.703 40.800 0.130 0.000 1.247 210 D HN 0.079 nan 8.370 nan 0.000 0.489 211 A N 3.508 126.417 122.820 0.147 0.000 1.986 211 A HA -0.267 4.091 4.320 0.063 0.000 0.220 211 A C 1.824 179.519 177.584 0.186 0.000 1.171 211 A CA 1.883 53.998 52.037 0.130 0.000 0.640 211 A CB -0.828 18.190 19.000 0.030 0.000 0.811 211 A HN 0.836 nan 8.150 nan 0.000 0.451 212 H N 0.020 119.145 119.070 0.091 0.000 2.426 212 H HA -0.064 4.528 4.556 0.060 0.000 0.298 212 H C 1.619 177.025 175.328 0.129 0.000 1.107 212 H CA 2.045 58.141 56.048 0.081 0.000 1.298 212 H CB 0.012 29.799 29.762 0.042 0.000 1.377 212 H HN 0.446 nan 8.280 nan 0.000 0.519 213 K N -0.647 119.875 120.400 0.203 0.000 2.444 213 K HA -0.045 4.312 4.320 0.063 0.000 0.193 213 K C 1.479 178.217 176.600 0.231 0.000 1.024 213 K CA 0.075 56.482 56.287 0.201 0.000 1.077 213 K CB 0.023 32.697 32.500 0.290 0.000 0.833 213 K HN 0.295 nan 8.250 nan 0.000 0.517 214 F N 2.705 122.704 119.950 0.082 0.000 2.095 214 F HA -0.162 4.403 4.527 0.063 0.000 0.298 214 F C -0.983 174.825 175.800 0.012 0.000 1.104 214 F CA 1.392 59.464 58.000 0.119 0.000 1.232 214 F CB -0.428 38.634 39.000 0.103 0.000 0.987 214 F HN 0.023 nan 8.300 nan 0.000 0.475 215 P HA -0.137 nan 4.420 nan 0.000 0.218 215 P C 1.009 178.016 177.300 -0.488 0.000 1.149 215 P CA 1.686 64.570 63.100 -0.359 0.000 0.817 215 P CB -0.053 31.439 31.700 -0.346 0.000 0.785 216 D N -1.346 118.907 120.400 -0.244 0.000 2.097 216 D HA -0.159 4.519 4.640 0.063 0.000 0.195 216 D C 1.778 177.809 176.300 -0.448 0.000 0.989 216 D CA 1.096 54.993 54.000 -0.171 0.000 0.827 216 D CB -0.799 40.073 40.800 0.120 0.000 0.966 216 D HN 0.160 nan 8.370 nan 0.000 0.456 217 F N 1.749 121.286 119.950 -0.689 0.000 2.102 217 F HA -0.203 4.361 4.527 0.061 0.000 0.298 217 F C 2.233 177.632 175.800 -0.668 0.000 1.105 217 F CA 1.047 58.414 58.000 -1.056 0.000 1.239 217 F CB -0.197 38.389 39.000 -0.690 0.000 0.991 217 F HN -0.251 nan 8.300 nan 0.000 0.474 218 V N 0.367 119.897 119.914 -0.640 0.000 2.343 218 V HA -0.337 3.820 4.120 0.063 0.000 0.247 218 V C 2.309 178.199 176.094 -0.339 0.000 1.051 218 V CA 2.456 64.414 62.300 -0.570 0.000 1.036 218 V CB -1.054 30.452 31.823 -0.528 0.000 0.654 218 V HN 0.470 nan 8.190 nan 0.000 0.451 219 H N -0.283 118.572 119.070 -0.359 0.000 2.387 219 H HA -0.134 4.459 4.556 0.062 0.000 0.299 219 H C 2.335 177.522 175.328 -0.236 0.000 1.090 219 H CA 1.056 56.968 56.048 -0.228 0.000 1.332 219 H CB 0.028 29.705 29.762 -0.142 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 A N 0.457 123.124 122.820 -0.255 0.000 1.933 220 A HA -0.123 4.234 4.320 0.063 0.000 0.218 220 A C 2.528 179.966 177.584 -0.242 0.000 1.175 220 A CA 1.409 53.286 52.037 -0.266 0.000 0.628 220 A CB -0.764 17.971 19.000 -0.442 0.000 0.814 220 A HN 0.300 nan 8.150 nan 0.000 0.444 221 V N -0.081 119.546 119.914 -0.478 0.000 2.591 221 V HA -0.034 4.124 4.120 0.063 0.000 0.249 221 V C 1.001 177.056 176.094 -0.065 0.000 1.053 221 V CA 0.951 63.045 62.300 -0.342 0.000 1.068 221 V CB -0.486 30.932 31.823 -0.675 0.000 0.689 221 V HN 0.360 nan 8.190 nan 0.000 0.462 222 K N 0.806 121.139 120.400 -0.112 0.000 2.234 222 K HA 0.176 4.534 4.320 0.063 0.000 0.251 222 K C -2.243 174.306 176.600 -0.085 0.000 1.011 222 K CA -1.437 54.799 56.287 -0.084 0.000 0.889 222 K CB -0.485 31.958 32.500 -0.095 0.000 1.011 222 K HN 0.177 nan 8.250 nan 0.000 0.505 223 P HA -0.012 nan 4.420 nan 0.000 0.265 223 P C -0.578 176.650 177.300 -0.120 0.000 1.193 223 P CA 0.423 63.383 63.100 -0.233 0.000 0.765 223 P CB 0.386 31.964 31.700 -0.203 0.000 0.823 224 E N 5.414 125.579 120.200 -0.057 0.000 2.398 224 E HA 0.005 4.392 4.350 0.063 0.000 0.263 224 E C -1.279 175.379 176.600 0.097 0.000 1.046 224 E CA -1.308 55.162 56.400 0.116 0.000 0.908 224 E CB 0.181 30.067 29.700 0.309 0.000 0.963 224 E HN 0.420 nan 8.360 nan 0.000 0.431 225 P HA -0.185 nan 4.420 nan 0.000 0.225 225 P C 0.941 178.306 177.300 0.108 0.000 1.156 225 P CA 1.266 64.399 63.100 0.055 0.000 0.787 225 P CB 0.062 31.774 31.700 0.020 0.000 0.802 226 H N -0.698 118.408 119.070 0.060 0.000 2.326 226 H HA -0.080 4.513 4.556 0.062 0.000 0.301 226 H C 1.474 176.896 175.328 0.155 0.000 1.081 226 H CA 1.449 57.521 56.048 0.039 0.000 1.334 226 H CB -1.335 28.380 29.762 -0.078 0.000 1.385 226 H HN 0.292 nan 8.280 nan 0.000 0.504 227 W N 0.127 121.095 121.300 -0.553 0.000 2.870 227 W HA 0.691 5.388 4.660 0.062 0.000 0.358 227 W C 0.512 176.867 176.519 -0.274 0.000 1.043 227 W CA -1.021 56.099 57.345 -0.375 0.000 1.692 227 W CB -0.732 28.492 29.460 -0.393 0.000 1.100 227 W HN 0.443 nan 8.180 nan 0.000 0.557 228 A N 1.250 124.050 122.820 -0.032 0.000 2.687 228 A HA -0.161 4.196 4.320 0.063 0.000 0.299 228 A C -0.393 176.972 177.584 -0.365 0.000 1.497 228 A CA 1.470 53.411 52.037 -0.160 0.000 0.751 228 A CB -2.409 16.524 19.000 -0.111 0.000 1.048 228 A HN 0.470 nan 8.150 nan 0.000 0.464 229 I N 0.418 120.629 120.570 -0.598 0.000 2.647 229 I HA 0.559 4.767 4.170 0.063 0.000 0.295 229 I C -2.470 173.326 176.117 -0.534 0.000 1.078 229 I CA -2.450 58.390 61.300 -0.768 0.000 1.048 229 I CB 2.965 40.004 38.000 -1.601 0.000 1.239 229 I HN 0.191 nan 8.210 nan 0.000 0.421 230 P HA 0.321 nan 4.420 nan 0.000 0.292 230 P C -1.622 175.519 177.300 -0.264 0.000 1.300 230 P CA -0.860 62.022 63.100 -0.364 0.000 0.900 230 P CB 1.631 33.194 31.700 -0.228 0.000 1.139 231 Q N 0.866 120.556 119.800 -0.184 0.000 2.261 231 Q HA 0.492 4.869 4.340 0.063 0.000 0.252 231 Q C 1.083 177.047 176.000 -0.059 0.000 0.915 231 Q CA 0.942 56.674 55.803 -0.118 0.000 0.915 231 Q CB -0.205 28.473 28.738 -0.100 0.000 1.204 231 Q HN 0.819 nan 8.270 nan 0.000 0.421 232 G N 3.129 111.905 108.800 -0.041 0.000 2.198 232 G HA2 -0.288 3.709 3.960 0.063 0.000 0.260 232 G HA3 -0.288 3.709 3.960 0.063 0.000 0.260 232 G C -0.492 174.424 174.900 0.026 0.000 1.025 232 G CA 0.617 45.718 45.100 0.002 0.000 0.769 232 G HN 0.550 nan 8.290 nan 0.000 0.507 233 Q N -1.171 118.629 119.800 0.001 0.000 2.309 233 Q HA 0.561 4.938 4.340 0.063 0.000 0.273 233 Q C 0.699 176.703 176.000 0.006 0.000 1.040 233 Q CA -0.176 55.649 55.803 0.037 0.000 0.834 233 Q CB 1.777 30.585 28.738 0.116 0.000 1.345 233 Q HN 0.462 nan 8.270 nan 0.000 0.414 234 S N -0.524 115.074 115.700 -0.171 0.000 2.575 234 S HA 0.194 4.702 4.470 0.063 0.000 0.215 234 S C 0.949 175.447 174.600 -0.170 0.000 0.966 234 S CA 0.063 57.918 58.200 -0.576 0.000 0.911 234 S CB 0.308 62.652 63.200 -1.428 0.000 0.780 234 S HN 0.616 nan 8.310 nan 0.000 0.514 235 A N 2.378 125.307 122.820 0.181 0.000 3.048 235 A HA 0.505 4.863 4.320 0.063 0.000 0.264 235 A C 0.131 177.942 177.584 0.377 0.000 1.796 235 A CA -0.498 51.737 52.037 0.330 0.000 1.445 235 A CB -1.342 17.787 19.000 0.214 0.000 1.074 235 A HN 0.908 nan 8.150 nan 0.000 0.621 236 H N -3.663 115.598 119.070 0.317 0.000 3.003 236 H HA 0.470 5.063 4.556 0.062 0.000 0.327 236 H C -0.342 175.180 175.328 0.323 0.000 1.353 236 H CA -0.727 55.474 56.048 0.256 0.000 1.142 236 H CB 0.217 30.087 29.762 0.179 0.000 1.864 236 H HN 0.058 nan 8.280 nan 0.000 0.529 237 D N 0.188 120.775 120.400 0.311 0.000 2.123 237 D HA -0.175 4.502 4.640 0.063 0.000 0.196 237 D C 2.109 178.485 176.300 0.127 0.000 0.992 237 D CA 2.905 57.022 54.000 0.194 0.000 0.833 237 D CB -0.297 40.590 40.800 0.146 0.000 0.954 237 D HN 0.773 nan 8.370 nan 0.000 0.455 238 T N -1.604 113.030 114.554 0.134 0.000 2.833 238 T HA -0.192 4.195 4.350 0.063 0.000 0.269 238 T C 1.902 176.552 174.700 -0.082 0.000 1.054 238 T CA 0.638 62.776 62.100 0.063 0.000 1.135 238 T CB -0.654 68.301 68.868 0.145 0.000 0.869 238 T HN 0.157 nan 8.240 nan 0.000 0.466 239 F N 0.576 120.231 119.950 -0.492 0.000 2.113 239 F HA 0.138 4.702 4.527 0.062 0.000 0.297 239 F C 1.858 177.402 175.800 -0.426 0.000 1.103 239 F CA 0.516 58.140 58.000 -0.626 0.000 1.248 239 F CB -0.556 37.859 39.000 -0.976 0.000 0.999 239 F HN 0.135 nan 8.300 nan 0.000 0.475 240 W N 0.688 121.928 121.300 -0.100 0.000 2.467 240 W HA -0.080 4.618 4.660 0.065 0.000 0.275 240 W C 2.297 178.739 176.519 -0.127 0.000 1.239 240 W CA 1.055 58.334 57.345 -0.111 0.000 1.266 240 W CB -0.576 28.902 29.460 0.031 0.000 1.112 240 W HN 0.078 nan 8.180 nan 0.000 0.576 241 D N -0.581 119.864 120.400 0.075 0.000 2.092 241 D HA -0.304 4.373 4.640 0.063 0.000 0.193 241 D C 1.889 178.187 176.300 -0.004 0.000 0.994 241 D CA 1.582 55.606 54.000 0.040 0.000 0.828 241 D CB -0.591 40.242 40.800 0.056 0.000 0.963 241 D HN 0.175 nan 8.370 nan 0.000 0.450 242 Y N 0.489 120.679 120.300 -0.183 0.000 2.097 242 Y HA -0.241 4.347 4.550 0.063 0.000 0.282 242 Y C 2.325 178.083 175.900 -0.237 0.000 1.152 242 Y CA 1.697 59.671 58.100 -0.210 0.000 1.136 242 Y CB -0.505 37.786 38.460 -0.282 0.000 0.975 242 Y HN -0.098 nan 8.280 nan 0.000 0.498 243 V N 0.131 119.916 119.914 -0.215 0.000 2.282 243 V HA -0.383 3.775 4.120 0.063 0.000 0.249 243 V C 2.572 178.617 176.094 -0.082 0.000 1.057 243 V CA 2.395 64.570 62.300 -0.207 0.000 1.032 243 V CB -1.308 30.290 31.823 -0.374 0.000 0.645 243 V HN 0.672 nan 8.190 nan 0.000 0.447 244 S N -0.359 115.334 115.700 -0.012 0.000 2.423 244 S HA -0.037 4.470 4.470 0.063 0.000 0.231 244 S C 1.730 176.298 174.600 -0.054 0.000 1.014 244 S CA 1.271 59.485 58.200 0.022 0.000 0.965 244 S CB -0.443 62.795 63.200 0.063 0.000 0.785 244 S HN 0.549 nan 8.310 nan 0.000 0.495 245 L N 0.086 121.229 121.223 -0.132 0.000 2.567 245 L HA 0.297 4.675 4.340 0.063 0.000 0.225 245 L C 0.580 177.279 176.870 -0.284 0.000 1.119 245 L CA 0.217 54.952 54.840 -0.174 0.000 0.871 245 L CB 0.019 41.973 42.059 -0.176 0.000 1.036 245 L HN 0.261 nan 8.230 nan 0.000 0.459 246 Q N 0.173 119.763 119.800 -0.350 0.000 3.244 246 Q HA 0.230 4.608 4.340 0.063 0.000 0.249 246 Q C -1.937 173.846 176.000 -0.361 0.000 0.951 246 Q CA -1.442 54.109 55.803 -0.421 0.000 0.740 246 Q CB 1.508 29.871 28.738 -0.625 0.000 1.334 246 Q HN -0.005 nan 8.270 nan 0.000 0.448 247 P HA -0.219 nan 4.420 nan 0.000 0.223 247 P C 1.048 178.070 177.300 -0.464 0.000 1.144 247 P CA 1.120 63.985 63.100 -0.392 0.000 0.783 247 P CB 0.238 31.651 31.700 -0.477 0.000 0.771 248 E N 0.631 120.419 120.200 -0.687 0.000 2.267 248 E HA -0.189 4.199 4.350 0.063 0.000 0.197 248 E C 1.469 178.035 176.600 -0.056 0.000 0.998 248 E CA 1.857 58.093 56.400 -0.272 0.000 0.830 248 E CB -1.258 28.349 29.700 -0.154 0.000 0.751 248 E HN 0.285 nan 8.360 nan 0.000 0.491 249 T N -0.658 113.867 114.554 -0.048 0.000 3.035 249 T HA -0.000 4.387 4.350 0.063 0.000 0.268 249 T C 1.930 176.708 174.700 0.130 0.000 1.109 249 T CA 0.508 62.647 62.100 0.066 0.000 1.119 249 T CB -0.315 68.623 68.868 0.117 0.000 0.900 249 T HN 0.160 nan 8.240 nan 0.000 0.503 250 L N -0.062 121.243 121.223 0.138 0.000 2.131 250 L HA -0.037 4.340 4.340 0.063 0.000 0.210 250 L C 2.818 179.871 176.870 0.304 0.000 1.092 250 L CA 1.614 56.607 54.840 0.254 0.000 0.759 250 L CB -0.769 41.457 42.059 0.278 0.000 0.903 250 L HN 0.465 nan 8.230 nan 0.000 0.435 251 H N 0.134 119.267 119.070 0.104 0.000 2.267 251 H HA -0.226 4.367 4.556 0.063 0.000 0.297 251 H C 2.160 177.507 175.328 0.032 0.000 1.080 251 H CA 1.919 58.024 56.048 0.095 0.000 1.278 251 H CB 0.191 29.970 29.762 0.028 0.000 1.365 251 H HN 0.356 nan 8.280 nan 0.000 0.489 252 N N -0.148 118.393 118.700 -0.264 0.000 2.309 252 N HA -0.126 4.652 4.740 0.063 0.000 0.182 252 N C 1.940 177.275 175.510 -0.290 0.000 1.018 252 N CA 0.670 53.335 53.050 -0.642 0.000 0.876 252 N CB 0.271 37.904 38.487 -1.422 0.000 0.972 252 N HN 0.125 nan 8.380 nan 0.000 0.434 253 V N 1.654 121.619 119.914 0.086 0.000 2.343 253 V HA -0.256 3.902 4.120 0.063 0.000 0.247 253 V C 2.501 178.732 176.094 0.227 0.000 1.051 253 V CA 1.278 63.781 62.300 0.338 0.000 1.036 253 V CB -0.349 31.735 31.823 0.436 0.000 0.654 253 V HN 0.399 nan 8.190 nan 0.000 0.451 254 M N -1.637 118.135 119.600 0.287 0.000 2.080 254 M HA -0.218 4.300 4.480 0.063 0.000 0.260 254 M C 2.091 178.386 176.300 -0.007 0.000 1.068 254 M CA 1.923 57.391 55.300 0.279 0.000 1.109 254 M CB -1.261 31.547 32.600 0.347 0.000 1.342 254 M HN 0.466 nan 8.290 nan 0.000 0.405 255 W N 0.539 121.567 121.300 -0.452 0.000 2.338 255 W HA -0.124 4.575 4.660 0.065 0.000 0.304 255 W C 2.811 179.252 176.519 -0.129 0.000 1.212 255 W CA 1.954 58.996 57.345 -0.504 0.000 1.264 255 W CB -0.985 28.114 29.460 -0.601 0.000 1.142 255 W HN 0.297 nan 8.180 nan 0.000 0.512 256 A N -0.811 122.091 122.820 0.138 0.000 1.930 256 A HA -0.167 4.191 4.320 0.063 0.000 0.217 256 A C 1.929 179.560 177.584 0.078 0.000 1.175 256 A CA 1.584 53.704 52.037 0.139 0.000 0.627 256 A CB -0.569 18.552 19.000 0.202 0.000 0.815 256 A HN 0.100 nan 8.150 nan 0.000 0.443 257 M N 0.685 120.288 119.600 0.005 0.000 2.492 257 M HA 0.019 4.537 4.480 0.063 0.000 0.262 257 M C 1.458 177.797 176.300 0.064 0.000 1.090 257 M CA 0.767 56.008 55.300 -0.098 0.000 1.110 257 M CB -1.334 30.959 32.600 -0.513 0.000 1.407 257 M HN 0.547 nan 8.290 nan 0.000 0.470 258 S N 0.204 116.003 115.700 0.166 0.000 2.641 258 S HA 0.083 4.590 4.470 0.063 0.000 0.261 258 S C 0.766 175.499 174.600 0.223 0.000 1.257 258 S CA -0.431 57.912 58.200 0.238 0.000 0.983 258 S CB 0.940 64.336 63.200 0.328 0.000 0.990 258 S HN 0.183 nan 8.310 nan 0.000 0.572 259 D N 0.309 120.862 120.400 0.254 0.000 2.351 259 D HA -0.013 4.664 4.640 0.063 0.000 0.216 259 D C 1.867 178.317 176.300 0.250 0.000 0.968 259 D CA 0.454 54.625 54.000 0.285 0.000 0.899 259 D CB -0.182 40.857 40.800 0.398 0.000 0.907 259 D HN 0.410 nan 8.370 nan 0.000 0.514 260 R N 0.151 120.794 120.500 0.238 0.000 2.200 260 R HA -0.058 4.320 4.340 0.063 0.000 0.234 260 R C 2.004 178.462 176.300 0.264 0.000 1.127 260 R CA 0.990 57.254 56.100 0.274 0.000 0.989 260 R CB -0.661 29.871 30.300 0.387 0.000 0.869 260 R HN 0.174 nan 8.270 nan 0.000 0.459 261 G N 1.214 110.155 108.800 0.236 0.000 2.920 261 G HA2 0.037 4.034 3.960 0.063 0.000 0.208 261 G HA3 0.037 4.034 3.960 0.063 0.000 0.208 261 G C 0.974 176.012 174.900 0.231 0.000 1.159 261 G CA -0.035 45.193 45.100 0.214 0.000 0.784 261 G HN 0.396 nan 8.290 nan 0.000 0.535 262 I N -2.142 118.576 120.570 0.246 0.000 2.917 262 I HA 0.349 4.557 4.170 0.063 0.000 0.292 262 I C -2.868 173.402 176.117 0.255 0.000 1.510 262 I CA -2.500 58.953 61.300 0.255 0.000 0.858 262 I CB 1.756 39.910 38.000 0.258 0.000 1.862 262 I HN -0.255 nan 8.210 nan 0.000 0.615 263 P HA 0.079 nan 4.420 nan 0.000 0.272 263 P C 0.523 177.970 177.300 0.244 0.000 1.223 263 P CA -0.172 63.035 63.100 0.178 0.000 0.784 263 P CB 1.363 33.099 31.700 0.060 0.000 0.923 264 R N 1.694 122.315 120.500 0.202 0.000 2.092 264 R HA 0.005 4.382 4.340 0.063 0.000 0.231 264 R C 0.508 176.956 176.300 0.247 0.000 1.119 264 R CA 1.493 57.756 56.100 0.272 0.000 0.970 264 R CB -0.528 29.900 30.300 0.213 0.000 0.864 264 R HN 0.574 nan 8.270 nan 0.000 0.440 265 S N -2.828 112.807 115.700 -0.109 0.000 2.552 265 S HA 0.217 4.724 4.470 0.063 0.000 0.272 265 S C -0.315 173.937 174.600 -0.581 0.000 1.150 265 S CA -0.852 57.119 58.200 -0.382 0.000 0.849 265 S CB 0.122 63.237 63.200 -0.141 0.000 1.113 265 S HN 0.112 nan 8.310 nan 0.000 0.458 266 Y N 2.296 122.210 120.300 -0.643 0.000 2.384 266 Y HA 0.016 4.604 4.550 0.064 0.000 0.289 266 Y C 2.322 177.849 175.900 -0.622 0.000 1.152 266 Y CA 1.239 58.828 58.100 -0.851 0.000 1.258 266 Y CB -0.326 37.218 38.460 -1.526 0.000 0.979 266 Y HN 0.572 nan 8.280 nan 0.000 0.549 267 R N -0.637 119.722 120.500 -0.235 0.000 2.236 267 R HA -0.014 4.363 4.340 0.063 0.000 0.208 267 R C 1.065 177.323 176.300 -0.070 0.000 1.036 267 R CA 1.464 57.488 56.100 -0.127 0.000 1.001 267 R CB -0.359 29.859 30.300 -0.136 0.000 0.896 267 R HN 0.324 nan 8.270 nan 0.000 0.464 268 T N -1.826 112.697 114.554 -0.051 0.000 3.355 268 T HA 0.347 4.735 4.350 0.063 0.000 0.276 268 T C 0.188 174.921 174.700 0.055 0.000 1.003 268 T CA -0.705 61.396 62.100 0.001 0.000 0.943 268 T CB -0.070 68.785 68.868 -0.021 0.000 1.158 268 T HN 0.072 nan 8.240 nan 0.000 0.513 269 M N -1.026 118.642 119.600 0.113 0.000 2.644 269 M HA 0.735 5.253 4.480 0.063 0.000 0.304 269 M C -0.993 175.476 176.300 0.282 0.000 1.215 269 M CA -0.929 54.482 55.300 0.185 0.000 0.871 269 M CB 1.978 34.685 32.600 0.177 0.000 1.740 269 M HN -0.154 nan 8.290 nan 0.000 0.464 270 E N 0.401 120.766 120.200 0.276 0.000 2.349 270 E HA 0.614 5.002 4.350 0.063 0.000 0.262 270 E C -0.276 176.400 176.600 0.125 0.000 1.088 270 E CA -0.466 56.029 56.400 0.160 0.000 0.899 270 E CB 1.615 31.346 29.700 0.052 0.000 1.044 270 E HN 0.850 nan 8.360 nan 0.000 0.420 271 G N 0.872 109.601 108.800 -0.118 0.000 2.533 271 G HA2 0.664 4.661 3.960 0.063 0.000 0.304 271 G HA3 0.664 4.661 3.960 0.063 0.000 0.304 271 G C -1.446 173.059 174.900 -0.657 0.000 1.263 271 G CA -0.502 44.510 45.100 -0.147 0.000 0.964 271 G HN 0.315 nan 8.290 nan 0.000 0.479 272 F N -0.888 119.016 119.950 -0.078 0.000 2.628 272 F HA 0.464 5.028 4.527 0.062 0.000 0.309 272 F C 1.107 176.818 175.800 -0.148 0.000 1.108 272 F CA -0.415 57.454 58.000 -0.220 0.000 0.971 272 F CB 2.365 41.182 39.000 -0.305 0.000 1.279 272 F HN 0.637 nan 8.300 nan 0.000 0.441 273 G N 0.606 109.462 108.800 0.093 0.000 2.484 273 G HA2 0.301 4.298 3.960 0.063 0.000 0.218 273 G HA3 0.301 4.298 3.960 0.063 0.000 0.218 273 G C 1.371 176.300 174.900 0.048 0.000 1.130 273 G CA 0.812 46.019 45.100 0.177 0.000 0.784 273 G HN 1.400 nan 8.290 nan 0.000 0.543 274 G N 0.076 108.826 108.800 -0.084 0.000 3.909 274 G HA2 -0.307 3.690 3.960 0.063 0.000 0.218 274 G HA3 -0.307 3.690 3.960 0.063 0.000 0.218 274 G C 0.565 175.265 174.900 -0.334 0.000 1.404 274 G CA 0.424 45.326 45.100 -0.330 0.000 0.905 274 G HN 0.688 nan 8.290 nan 0.000 0.589 275 H N 1.662 120.730 119.070 -0.003 0.000 2.547 275 H HA 0.491 5.086 4.556 0.064 0.000 0.362 275 H C 0.191 175.427 175.328 -0.153 0.000 1.181 275 H CA 0.682 56.635 56.048 -0.159 0.000 1.376 275 H CB 0.315 29.839 29.762 -0.398 0.000 1.488 275 H HN 0.284 nan 8.280 nan 0.000 0.583 276 T N 3.236 117.741 114.554 -0.081 0.000 2.814 276 T HA 0.223 4.611 4.350 0.063 0.000 0.297 276 T C 0.270 174.859 174.700 -0.186 0.000 0.956 276 T CA 0.024 62.066 62.100 -0.097 0.000 1.123 276 T CB -0.174 68.610 68.868 -0.140 0.000 0.902 276 T HN 0.232 nan 8.240 nan 0.000 0.528 277 F N 1.264 121.144 119.950 -0.116 0.000 2.544 277 F HA 0.655 5.218 4.527 0.060 0.000 0.378 277 F C 1.099 176.838 175.800 -0.102 0.000 1.112 277 F CA -1.296 56.660 58.000 -0.074 0.000 1.115 277 F CB 1.269 40.178 39.000 -0.153 0.000 1.436 277 F HN 0.197 nan 8.300 nan 0.000 0.496 278 R N 0.429 120.970 120.500 0.067 0.000 2.740 278 R HA 0.643 5.020 4.340 0.063 0.000 0.282 278 R C -1.611 174.566 176.300 -0.204 0.000 0.969 278 R CA -0.878 55.128 56.100 -0.156 0.000 0.918 278 R CB 1.946 32.087 30.300 -0.265 0.000 1.175 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.527 124.582 121.223 -0.280 0.000 2.309 279 L HA 0.546 4.924 4.340 0.063 0.000 0.282 279 L C -0.507 176.200 176.870 -0.272 0.000 1.036 279 L CA -0.898 53.789 54.840 -0.256 0.000 0.806 279 L CB 1.337 43.253 42.059 -0.239 0.000 1.220 279 L HN 0.365 nan 8.230 nan 0.000 0.429 280 I N 2.683 123.118 120.570 -0.226 0.000 2.466 280 I HA 0.281 4.488 4.170 0.063 0.000 0.289 280 I C -0.310 175.716 176.117 -0.151 0.000 1.026 280 I CA -0.696 60.472 61.300 -0.219 0.000 1.078 280 I CB 1.558 39.437 38.000 -0.203 0.000 1.249 280 I HN 0.629 nan 8.210 nan 0.000 0.429 281 N N 4.763 123.387 118.700 -0.126 0.000 2.448 281 N HA 0.401 5.179 4.740 0.063 0.000 0.274 281 N C 0.773 176.242 175.510 -0.069 0.000 1.239 281 N CA -0.324 52.673 53.050 -0.088 0.000 0.982 281 N CB 0.714 39.158 38.487 -0.072 0.000 1.199 281 N HN 0.535 nan 8.380 nan 0.000 0.576 282 A N -0.665 122.124 122.820 -0.052 0.000 2.015 282 A HA -0.088 4.269 4.320 0.063 0.000 0.219 282 A C 1.575 179.139 177.584 -0.033 0.000 1.163 282 A CA 1.127 53.140 52.037 -0.041 0.000 0.646 282 A CB -0.654 18.328 19.000 -0.030 0.000 0.806 282 A HN 0.666 nan 8.150 nan 0.000 0.448 283 E N -1.246 118.935 120.200 -0.031 0.000 2.427 283 E HA 0.160 4.548 4.350 0.063 0.000 0.196 283 E C 1.399 177.990 176.600 -0.016 0.000 1.028 283 E CA 0.652 57.039 56.400 -0.022 0.000 0.864 283 E CB -0.241 29.447 29.700 -0.021 0.000 0.813 283 E HN 0.770 nan 8.360 nan 0.000 0.514 284 G N 1.023 109.810 108.800 -0.022 0.000 2.176 284 G HA2 -0.316 3.682 3.960 0.063 0.000 0.232 284 G HA3 -0.316 3.682 3.960 0.063 0.000 0.232 284 G C 0.394 175.308 174.900 0.023 0.000 0.986 284 G CA 0.264 45.370 45.100 0.011 0.000 0.643 284 G HN 0.286 nan 8.290 nan 0.000 0.522 285 K N 1.021 121.397 120.400 -0.040 0.000 2.368 285 K HA 0.632 4.989 4.320 0.063 0.000 0.282 285 K C 0.587 177.052 176.600 -0.225 0.000 1.035 285 K CA 0.275 56.513 56.287 -0.082 0.000 0.973 285 K CB 0.492 32.947 32.500 -0.075 0.000 0.957 285 K HN 0.574 nan 8.250 nan 0.000 0.474 286 A N 3.575 126.153 122.820 -0.404 0.000 2.301 286 A HA 0.417 4.774 4.320 0.063 0.000 0.312 286 A C -0.735 176.526 177.584 -0.537 0.000 1.182 286 A CA -0.488 51.142 52.037 -0.679 0.000 0.826 286 A CB 1.130 19.293 19.000 -1.395 0.000 1.134 286 A HN 0.723 nan 8.150 nan 0.000 0.501 287 T N 2.331 116.600 114.554 -0.474 0.000 2.848 287 T HA 0.538 4.926 4.350 0.063 0.000 0.285 287 T C -0.619 173.841 174.700 -0.400 0.000 0.995 287 T CA -0.090 61.793 62.100 -0.363 0.000 0.970 287 T CB 0.482 69.234 68.868 -0.194 0.000 0.976 287 T HN 0.345 nan 8.240 nan 0.000 0.441 288 F N 2.004 121.865 119.950 -0.149 0.000 2.459 288 F HA 0.533 5.097 4.527 0.061 0.000 0.346 288 F C 0.593 176.280 175.800 -0.189 0.000 1.128 288 F CA -0.354 57.551 58.000 -0.158 0.000 1.268 288 F CB 0.686 39.615 39.000 -0.117 0.000 1.161 288 F HN 0.199 nan 8.300 nan 0.000 0.583 289 V N 4.333 124.203 119.914 -0.073 0.000 2.888 289 V HA 0.609 4.767 4.120 0.063 0.000 0.309 289 V C -1.065 174.818 176.094 -0.352 0.000 1.114 289 V CA -0.780 61.341 62.300 -0.299 0.000 0.940 289 V CB 2.190 33.627 31.823 -0.645 0.000 1.021 289 V HN 0.779 nan 8.190 nan 0.000 0.426 290 R N 4.393 124.736 120.500 -0.260 0.000 2.599 290 R HA 0.563 4.941 4.340 0.063 0.000 0.295 290 R C -1.617 174.613 176.300 -0.117 0.000 0.963 290 R CA -0.478 55.497 56.100 -0.208 0.000 0.883 290 R CB 1.979 32.277 30.300 -0.004 0.000 1.171 290 R HN 0.614 nan 8.270 nan 0.000 0.450 291 F N 2.244 122.228 119.950 0.057 0.000 2.384 291 F HA 0.362 4.925 4.527 0.061 0.000 0.338 291 F C 0.986 176.721 175.800 -0.108 0.000 1.103 291 F CA -0.023 57.979 58.000 0.004 0.000 1.157 291 F CB 0.777 39.668 39.000 -0.182 0.000 1.167 291 F HN 0.205 nan 8.300 nan 0.000 0.529 292 H N 0.675 119.745 119.070 0.000 0.000 2.851 292 H HA 0.255 4.849 4.556 0.063 0.000 0.372 292 H C -1.602 173.516 175.328 -0.349 0.000 1.158 292 H CA -1.025 54.921 56.048 -0.169 0.000 1.159 292 H CB 2.023 31.773 29.762 -0.020 0.000 1.757 292 H HN 0.676 nan 8.280 nan 0.000 0.546 293 W N 2.186 123.391 121.300 -0.159 0.000 2.600 293 W HA 0.320 5.016 4.660 0.061 0.000 0.325 293 W C -0.176 176.381 176.519 0.063 0.000 1.034 293 W CA -0.774 56.538 57.345 -0.056 0.000 1.226 293 W CB 1.867 31.135 29.460 -0.320 0.000 1.379 293 W HN 0.279 nan 8.180 nan 0.000 0.466 294 K N 5.654 126.334 120.400 0.466 0.000 2.240 294 K HA 0.389 4.747 4.320 0.063 0.000 0.271 294 K C -2.391 174.451 176.600 0.403 0.000 1.018 294 K CA -1.893 54.603 56.287 0.347 0.000 0.874 294 K CB 1.388 34.040 32.500 0.254 0.000 1.098 294 K HN 0.031 nan 8.250 nan 0.000 0.458 295 P HA 0.040 nan 4.420 nan 0.000 0.276 295 P C 0.369 177.684 177.300 0.024 0.000 1.253 295 P CA -0.066 63.119 63.100 0.141 0.000 0.766 295 P CB 0.753 32.544 31.700 0.152 0.000 0.845 296 L N 2.743 123.918 121.223 -0.079 0.000 2.376 296 L HA -0.068 4.310 4.340 0.063 0.000 0.219 296 L C 2.158 179.006 176.870 -0.038 0.000 1.133 296 L CA 1.160 55.985 54.840 -0.025 0.000 0.816 296 L CB -0.587 41.465 42.059 -0.012 0.000 0.933 296 L HN 0.351 nan 8.230 nan 0.000 0.449 297 A N 0.021 122.791 122.820 -0.083 0.000 2.238 297 A HA 0.414 4.771 4.320 0.063 0.000 0.208 297 A C 1.212 178.791 177.584 -0.008 0.000 1.177 297 A CA 0.659 52.665 52.037 -0.051 0.000 0.804 297 A CB -0.382 18.571 19.000 -0.080 0.000 0.823 297 A HN 0.451 nan 8.150 nan 0.000 0.482 298 G N -0.642 108.167 108.800 0.016 0.000 2.707 298 G HA2 -0.122 3.876 3.960 0.063 0.000 0.686 298 G HA3 -0.122 3.876 3.960 0.063 0.000 0.686 298 G C -0.655 174.274 174.900 0.048 0.000 1.315 298 G CA -0.534 44.595 45.100 0.048 0.000 0.832 298 G HN 0.419 nan 8.290 nan 0.000 0.573 299 K N 0.301 120.734 120.400 0.056 0.000 2.258 299 K HA 0.668 5.026 4.320 0.063 0.000 0.284 299 K C 0.293 176.885 176.600 -0.013 0.000 1.051 299 K CA 0.369 56.672 56.287 0.027 0.000 0.923 299 K CB 1.492 33.995 32.500 0.005 0.000 1.046 299 K HN 1.378 nan 8.250 nan 0.000 0.474 300 A N 1.971 124.774 122.820 -0.029 0.000 2.566 300 A HA 0.596 4.953 4.320 0.063 0.000 0.297 300 A C -1.091 176.540 177.584 0.078 0.000 1.059 300 A CA -0.663 51.314 52.037 -0.099 0.000 0.691 300 A CB 1.780 20.482 19.000 -0.497 0.000 1.282 300 A HN 0.520 nan 8.150 nan 0.000 0.401 301 S N 0.370 116.276 115.700 0.343 0.000 2.632 301 S HA 0.761 5.269 4.470 0.063 0.000 0.289 301 S C -0.114 174.807 174.600 0.534 0.000 1.115 301 S CA -0.582 57.855 58.200 0.394 0.000 0.889 301 S CB 1.194 64.619 63.200 0.375 0.000 1.116 301 S HN 0.643 nan 8.310 nan 0.000 0.486 302 L N 1.272 122.699 121.223 0.339 0.000 2.543 302 L HA 0.582 4.960 4.340 0.063 0.000 0.231 302 L C 0.046 177.030 176.870 0.189 0.000 1.194 302 L CA -0.746 54.212 54.840 0.197 0.000 0.823 302 L CB 0.230 42.320 42.059 0.051 0.000 1.374 302 L HN 0.501 nan 8.230 nan 0.000 0.507 303 V N -3.170 116.744 119.914 0.001 0.000 2.881 303 V HA 0.209 4.367 4.120 0.063 0.000 0.316 303 V C 0.572 176.596 176.094 -0.117 0.000 1.070 303 V CA -0.794 61.476 62.300 -0.049 0.000 0.976 303 V CB 1.683 33.439 31.823 -0.111 0.000 1.038 303 V HN 0.949 nan 8.190 nan 0.000 0.446 304 W N 1.668 122.822 121.300 -0.244 0.000 2.355 304 W HA -0.180 4.518 4.660 0.062 0.000 0.309 304 W C 1.712 178.061 176.519 -0.284 0.000 1.206 304 W CA 2.388 59.587 57.345 -0.243 0.000 1.284 304 W CB -0.082 29.217 29.460 -0.268 0.000 1.145 304 W HN 0.995 nan 8.180 nan 0.000 0.502 305 D N 0.387 120.479 120.400 -0.513 0.000 2.149 305 D HA -0.291 4.387 4.640 0.063 0.000 0.198 305 D C 2.131 178.063 176.300 -0.613 0.000 0.990 305 D CA 2.053 55.717 54.000 -0.560 0.000 0.839 305 D CB -0.424 40.291 40.800 -0.142 0.000 0.948 305 D HN 0.382 nan 8.370 nan 0.000 0.460 306 E N -0.520 119.192 120.200 -0.813 0.000 2.047 306 E HA -0.171 4.216 4.350 0.063 0.000 0.191 306 E C 1.987 178.255 176.600 -0.553 0.000 0.987 306 E CA 0.997 56.891 56.400 -0.843 0.000 0.799 306 E CB -0.183 28.903 29.700 -1.023 0.000 0.752 306 E HN 0.314 nan 8.360 nan 0.000 0.449 307 A N 1.069 123.577 122.820 -0.520 0.000 1.898 307 A HA -0.220 4.137 4.320 0.063 0.000 0.216 307 A C 2.167 179.430 177.584 -0.536 0.000 1.181 307 A CA 1.588 53.379 52.037 -0.410 0.000 0.620 307 A CB -0.608 18.268 19.000 -0.207 0.000 0.819 307 A HN 0.404 nan 8.150 nan 0.000 0.442 308 Q N -0.403 118.847 119.800 -0.916 0.000 2.050 308 Q HA -0.197 4.180 4.340 0.063 0.000 0.202 308 Q C 2.167 177.884 176.000 -0.472 0.000 0.980 308 Q CA 1.886 57.164 55.803 -0.876 0.000 0.840 308 Q CB -0.151 27.767 28.738 -1.368 0.000 0.898 308 Q HN 0.651 nan 8.270 nan 0.000 0.424 309 K N 0.052 120.199 120.400 -0.423 0.000 2.217 309 K HA -0.133 4.225 4.320 0.063 0.000 0.202 309 K C 2.024 178.488 176.600 -0.227 0.000 1.051 309 K CA 0.543 56.679 56.287 -0.252 0.000 0.952 309 K CB 0.002 32.396 32.500 -0.176 0.000 0.736 309 K HN 0.186 nan 8.250 nan 0.000 0.453 310 L N 1.364 122.412 121.223 -0.291 0.000 2.217 310 L HA -0.104 4.273 4.340 0.063 0.000 0.211 310 L C 2.124 178.868 176.870 -0.211 0.000 1.107 310 L CA 2.035 56.705 54.840 -0.284 0.000 0.783 310 L CB -0.745 41.063 42.059 -0.419 0.000 0.919 310 L HN 0.280 nan 8.230 nan 0.000 0.442 311 T N -4.369 110.065 114.554 -0.200 0.000 2.962 311 T HA -0.029 4.359 4.350 0.063 0.000 0.270 311 T C 1.802 176.446 174.700 -0.093 0.000 1.088 311 T CA 0.891 62.915 62.100 -0.127 0.000 1.127 311 T CB -0.813 67.993 68.868 -0.103 0.000 0.883 311 T HN 0.375 nan 8.240 nan 0.000 0.493 312 G N 1.081 109.818 108.800 -0.106 0.000 2.437 312 G HA2 0.024 4.021 3.960 0.063 0.000 0.212 312 G HA3 0.024 4.021 3.960 0.063 0.000 0.212 312 G C 1.892 176.752 174.900 -0.066 0.000 1.174 312 G CA -0.317 44.737 45.100 -0.076 0.000 0.811 312 G HN 0.296 nan 8.290 nan 0.000 0.537 313 R N 0.293 120.745 120.500 -0.081 0.000 2.115 313 R HA 0.047 4.425 4.340 0.063 0.000 0.226 313 R C -0.169 176.108 176.300 -0.037 0.000 1.100 313 R CA 0.767 56.832 56.100 -0.059 0.000 0.980 313 R CB -0.156 30.100 30.300 -0.073 0.000 0.875 313 R HN 0.337 nan 8.270 nan 0.000 0.445 314 D N -0.442 119.932 120.400 -0.043 0.000 2.411 314 D HA 0.138 4.815 4.640 0.063 0.000 0.239 314 D C -2.118 174.192 176.300 0.016 0.000 1.307 314 D CA -1.774 52.235 54.000 0.014 0.000 0.930 314 D CB 1.320 42.179 40.800 0.100 0.000 1.395 314 D HN -0.145 nan 8.370 nan 0.000 0.536 315 P HA -0.007 nan 4.420 nan 0.000 0.228 315 P C 0.075 177.388 177.300 0.021 0.000 1.151 315 P CA 0.650 63.746 63.100 -0.006 0.000 0.770 315 P CB 0.485 32.176 31.700 -0.014 0.000 0.786 316 D N -1.510 118.913 120.400 0.039 0.000 2.388 316 D HA 0.074 4.752 4.640 0.063 0.000 0.221 316 D C 1.207 177.544 176.300 0.062 0.000 1.133 316 D CA -0.421 53.604 54.000 0.042 0.000 0.831 316 D CB -0.554 40.246 40.800 0.001 0.000 0.962 316 D HN 0.131 nan 8.370 nan 0.000 0.502 317 F N 1.148 121.048 119.950 -0.084 0.000 2.126 317 F HA -0.225 4.340 4.527 0.063 0.000 0.299 317 F C 2.049 177.834 175.800 -0.024 0.000 1.096 317 F CA 1.852 59.799 58.000 -0.088 0.000 1.255 317 F CB 0.092 38.982 39.000 -0.184 0.000 0.997 317 F HN 0.103 nan 8.300 nan 0.000 0.479 318 H N -1.239 117.737 119.070 -0.156 0.000 2.403 318 H HA -0.047 4.546 4.556 0.062 0.000 0.298 318 H C 2.367 177.608 175.328 -0.145 0.000 1.059 318 H CA 0.727 56.555 56.048 -0.366 0.000 1.363 318 H CB -0.076 29.321 29.762 -0.607 0.000 1.410 318 H HN 0.162 nan 8.280 nan 0.000 0.528 319 R N 1.316 121.926 120.500 0.184 0.000 2.094 319 R HA -0.174 4.203 4.340 0.063 0.000 0.239 319 R C 2.447 178.850 176.300 0.171 0.000 1.137 319 R CA 1.694 57.943 56.100 0.249 0.000 0.943 319 R CB -0.078 30.351 30.300 0.215 0.000 0.850 319 R HN 0.199 nan 8.270 nan 0.000 0.433 320 R N 0.220 120.738 120.500 0.030 0.000 2.073 320 R HA -0.147 4.231 4.340 0.063 0.000 0.234 320 R C 2.203 178.504 176.300 0.002 0.000 1.134 320 R CA 1.747 57.850 56.100 0.004 0.000 0.952 320 R CB -0.251 30.010 30.300 -0.065 0.000 0.850 320 R HN 0.291 nan 8.270 nan 0.000 0.433 321 E N 0.652 120.738 120.200 -0.189 0.000 2.106 321 E HA -0.187 4.200 4.350 0.063 0.000 0.192 321 E C 1.995 178.572 176.600 -0.038 0.000 0.984 321 E CA 0.916 57.186 56.400 -0.216 0.000 0.806 321 E CB -0.021 29.365 29.700 -0.524 0.000 0.750 321 E HN 0.283 nan 8.360 nan 0.000 0.458 322 L N 0.783 122.031 121.223 0.042 0.000 2.005 322 L HA -0.141 4.237 4.340 0.063 0.000 0.207 322 L C 2.255 179.237 176.870 0.186 0.000 1.072 322 L CA 1.813 56.727 54.840 0.123 0.000 0.744 322 L CB -0.935 41.261 42.059 0.229 0.000 0.895 322 L HN 0.290 nan 8.230 nan 0.000 0.433 323 W N 1.014 122.356 121.300 0.070 0.000 2.335 323 W HA -0.229 4.468 4.660 0.062 0.000 0.311 323 W C 2.212 178.767 176.519 0.060 0.000 1.213 323 W CA 2.281 59.678 57.345 0.085 0.000 1.274 323 W CB -0.160 29.351 29.460 0.085 0.000 1.148 323 W HN 0.368 nan 8.180 nan 0.000 0.498 324 E N -0.120 120.262 120.200 0.302 0.000 2.152 324 E HA -0.122 4.265 4.350 0.063 0.000 0.192 324 E C 2.342 178.982 176.600 0.066 0.000 0.983 324 E CA 1.065 57.563 56.400 0.164 0.000 0.818 324 E CB -0.350 29.400 29.700 0.083 0.000 0.758 324 E HN 0.186 nan 8.360 nan 0.000 0.467 325 A N 1.069 123.927 122.820 0.064 0.000 1.898 325 A HA -0.139 4.218 4.320 0.063 0.000 0.216 325 A C 2.134 179.758 177.584 0.066 0.000 1.181 325 A CA 0.940 53.009 52.037 0.053 0.000 0.620 325 A CB -0.408 18.623 19.000 0.052 0.000 0.819 325 A HN 0.124 nan 8.150 nan 0.000 0.442 326 I N -0.501 120.124 120.570 0.092 0.000 2.286 326 I HA -0.203 4.005 4.170 0.063 0.000 0.245 326 I C 2.409 178.613 176.117 0.145 0.000 1.104 326 I CA 1.209 62.616 61.300 0.179 0.000 1.397 326 I CB -0.323 37.707 38.000 0.050 0.000 1.072 326 I HN 0.397 nan 8.210 nan 0.000 0.417 327 E N 0.842 121.068 120.200 0.044 0.000 2.153 327 E HA -0.211 4.177 4.350 0.063 0.000 0.194 327 E C 2.172 178.795 176.600 0.038 0.000 0.988 327 E CA 1.233 57.670 56.400 0.061 0.000 0.811 327 E CB -0.117 29.647 29.700 0.107 0.000 0.746 327 E HN 0.509 nan 8.360 nan 0.000 0.466 328 A N 0.119 122.938 122.820 -0.002 0.000 2.167 328 A HA 0.147 4.504 4.320 0.063 0.000 0.214 328 A C 1.876 179.396 177.584 -0.106 0.000 1.151 328 A CA 1.097 53.109 52.037 -0.041 0.000 0.735 328 A CB -0.206 18.760 19.000 -0.057 0.000 0.802 328 A HN 0.358 nan 8.150 nan 0.000 0.467 329 G N -0.614 108.041 108.800 -0.241 0.000 2.176 329 G HA2 -0.202 3.795 3.960 0.063 0.000 0.253 329 G HA3 -0.202 3.795 3.960 0.063 0.000 0.253 329 G C -0.185 174.229 174.900 -0.810 0.000 0.979 329 G CA 0.258 44.908 45.100 -0.750 0.000 0.641 329 G HN 0.458 nan 8.290 nan 0.000 0.530 330 D N 1.059 121.258 120.400 -0.334 0.000 2.845 330 D HA 0.291 4.969 4.640 0.063 0.000 0.235 330 D C 0.707 176.964 176.300 -0.071 0.000 1.158 330 D CA -0.137 53.765 54.000 -0.164 0.000 0.990 330 D CB -0.707 40.094 40.800 0.001 0.000 1.094 330 D HN 0.426 nan 8.370 nan 0.000 0.486 331 F N 1.396 121.350 119.950 0.006 0.000 2.578 331 F HA 0.096 4.661 4.527 0.063 0.000 0.376 331 F C -1.372 174.399 175.800 -0.049 0.000 1.085 331 F CA -1.930 56.065 58.000 -0.008 0.000 1.260 331 F CB 0.118 39.122 39.000 0.008 0.000 1.095 331 F HN -0.096 nan 8.300 nan 0.000 0.573 332 P HA 0.035 nan 4.420 nan 0.000 0.263 332 P C -1.077 176.158 177.300 -0.109 0.000 1.195 332 P CA 0.327 63.408 63.100 -0.032 0.000 0.762 332 P CB 0.493 32.261 31.700 0.112 0.000 0.799 333 E N 2.261 122.244 120.200 -0.361 0.000 2.238 333 E HA 0.474 4.862 4.350 0.063 0.000 0.267 333 E C -1.091 175.174 176.600 -0.558 0.000 0.887 333 E CA -0.569 55.675 56.400 -0.259 0.000 0.769 333 E CB 1.498 31.149 29.700 -0.082 0.000 1.187 333 E HN 0.377 nan 8.360 nan 0.000 0.416 334 Y N 0.281 120.650 120.300 0.115 0.000 2.492 334 Y HA 0.228 4.816 4.550 0.064 0.000 0.346 334 Y C -0.315 175.818 175.900 0.388 0.000 0.997 334 Y CA -0.952 57.290 58.100 0.237 0.000 1.025 334 Y CB 2.026 40.584 38.460 0.164 0.000 1.263 334 Y HN 0.461 nan 8.280 nan 0.000 0.454 335 E N 2.830 123.368 120.200 0.563 0.000 2.174 335 E HA 0.401 4.788 4.350 0.063 0.000 0.282 335 E C -1.469 175.440 176.600 0.514 0.000 0.992 335 E CA -0.945 55.743 56.400 0.481 0.000 0.803 335 E CB 1.017 30.937 29.700 0.366 0.000 1.090 335 E HN 0.594 nan 8.360 nan 0.000 0.396 336 L N 4.396 125.844 121.223 0.375 0.000 2.367 336 L HA 0.497 4.874 4.340 0.063 0.000 0.275 336 L C -0.057 176.755 176.870 -0.096 0.000 1.129 336 L CA 0.652 55.415 54.840 -0.129 0.000 0.839 336 L CB 0.990 42.894 42.059 -0.258 0.000 1.133 336 L HN 0.594 nan 8.230 nan 0.000 0.453 337 G N 4.387 113.140 108.800 -0.078 0.000 2.612 337 G HA2 0.564 4.562 3.960 0.063 0.000 0.298 337 G HA3 0.564 4.562 3.960 0.063 0.000 0.298 337 G C -1.649 173.403 174.900 0.253 0.000 1.336 337 G CA -0.522 44.574 45.100 -0.006 0.000 0.953 337 G HN 0.457 nan 8.290 nan 0.000 0.482 338 F N 0.317 120.293 119.950 0.044 0.000 2.493 338 F HA 0.367 4.932 4.527 0.063 0.000 0.329 338 F C 0.376 176.186 175.800 0.017 0.000 1.126 338 F CA -0.959 57.078 58.000 0.061 0.000 0.937 338 F CB 2.555 41.577 39.000 0.036 0.000 1.146 338 F HN 0.154 nan 8.300 nan 0.000 0.442 339 Q N 4.387 124.321 119.800 0.224 0.000 2.279 339 Q HA 0.480 4.857 4.340 0.063 0.000 0.256 339 Q C -1.024 175.029 176.000 0.090 0.000 0.937 339 Q CA -0.330 55.546 55.803 0.122 0.000 0.933 339 Q CB 1.924 30.739 28.738 0.129 0.000 1.189 339 Q HN 0.539 nan 8.270 nan 0.000 0.417 340 L N 4.455 125.736 121.223 0.096 0.000 2.341 340 L HA 0.596 4.974 4.340 0.063 0.000 0.278 340 L C -0.628 176.301 176.870 0.098 0.000 1.005 340 L CA -0.585 54.298 54.840 0.072 0.000 0.818 340 L CB 1.387 43.498 42.059 0.087 0.000 1.259 340 L HN 0.509 nan 8.230 nan 0.000 0.418 341 I N 3.933 124.576 120.570 0.121 0.000 2.478 341 I HA 0.361 4.568 4.170 0.063 0.000 0.287 341 I C -2.407 173.825 176.117 0.192 0.000 1.042 341 I CA -2.067 59.346 61.300 0.189 0.000 1.067 341 I CB 2.360 40.498 38.000 0.230 0.000 1.233 341 I HN 0.244 nan 8.210 nan 0.000 0.431 342 P HA 0.041 nan 4.420 nan 0.000 0.269 342 P C 0.706 178.087 177.300 0.134 0.000 1.209 342 P CA -0.013 63.129 63.100 0.071 0.000 0.776 342 P CB 0.910 32.646 31.700 0.060 0.000 0.876 343 E N 2.410 122.613 120.200 0.006 0.000 2.130 343 E HA -0.264 4.123 4.350 0.063 0.000 0.196 343 E C 1.404 178.121 176.600 0.196 0.000 0.998 343 E CA 1.111 57.542 56.400 0.052 0.000 0.806 343 E CB 0.047 29.680 29.700 -0.112 0.000 0.738 343 E HN 0.504 nan 8.360 nan 0.000 0.459 344 E N 0.180 120.453 120.200 0.123 0.000 2.472 344 E HA -0.175 4.213 4.350 0.063 0.000 0.200 344 E C 0.339 177.013 176.600 0.123 0.000 1.046 344 E CA 0.838 57.312 56.400 0.123 0.000 0.871 344 E CB 0.063 29.809 29.700 0.076 0.000 0.806 344 E HN 0.220 nan 8.360 nan 0.000 0.533 345 D N 1.127 121.605 120.400 0.131 0.000 2.368 345 D HA 0.000 4.678 4.640 0.063 0.000 0.218 345 D C 1.332 177.676 176.300 0.073 0.000 1.112 345 D CA 0.004 54.048 54.000 0.075 0.000 0.834 345 D CB 0.205 41.052 40.800 0.077 0.000 0.953 345 D HN 0.408 nan 8.370 nan 0.000 0.505 346 E N -0.169 120.067 120.200 0.061 0.000 2.147 346 E HA -0.208 4.180 4.350 0.063 0.000 0.199 346 E C 0.499 176.834 176.600 -0.441 0.000 1.005 346 E CA 1.157 57.391 56.400 -0.277 0.000 0.810 346 E CB 0.010 29.459 29.700 -0.419 0.000 0.736 346 E HN 0.256 nan 8.360 nan 0.000 0.460 347 F N -0.423 119.517 119.950 -0.017 0.000 2.639 347 F HA 0.279 4.844 4.527 0.062 0.000 0.302 347 F C 1.415 177.140 175.800 -0.125 0.000 1.097 347 F CA -0.258 57.710 58.000 -0.052 0.000 1.294 347 F CB 0.596 39.577 39.000 -0.032 0.000 1.027 347 F HN -0.180 nan 8.300 nan 0.000 0.550 348 K N 0.057 120.385 120.400 -0.119 0.000 2.487 348 K HA 0.086 4.443 4.320 0.063 0.000 0.192 348 K C -0.275 175.920 176.600 -0.676 0.000 1.027 348 K CA 0.446 56.496 56.287 -0.396 0.000 1.054 348 K CB 0.121 32.331 32.500 -0.483 0.000 0.824 348 K HN 0.125 nan 8.250 nan 0.000 0.510 349 F N 0.389 120.173 119.950 -0.276 0.000 2.509 349 F HA 0.104 4.669 4.527 0.063 0.000 0.334 349 F C 1.131 176.727 175.800 -0.340 0.000 1.060 349 F CA -1.427 56.322 58.000 -0.417 0.000 0.997 349 F CB 0.622 39.033 39.000 -0.982 0.000 1.271 349 F HN -0.050 nan 8.300 nan 0.000 0.488 350 D N -0.540 119.861 120.400 0.001 0.000 2.319 350 D HA 0.058 4.735 4.640 0.063 0.000 0.230 350 D C -0.389 176.000 176.300 0.148 0.000 1.094 350 D CA 0.134 54.182 54.000 0.080 0.000 0.856 350 D CB -0.852 40.020 40.800 0.119 0.000 0.915 350 D HN 0.246 nan 8.370 nan 0.000 0.517 351 F N -1.622 118.406 119.950 0.130 0.000 2.631 351 F HA 0.538 5.102 4.527 0.062 0.000 0.328 351 F C -0.230 175.552 175.800 -0.029 0.000 1.067 351 F CA -1.758 56.242 58.000 0.000 0.000 0.969 351 F CB 0.856 39.812 39.000 -0.073 0.000 1.332 351 F HN -0.327 nan 8.300 nan 0.000 0.490 352 D N 1.638 122.046 120.400 0.013 0.000 2.277 352 D HA 0.185 4.862 4.640 0.063 0.000 0.249 352 D C 1.044 177.273 176.300 -0.119 0.000 1.134 352 D CA -0.047 53.895 54.000 -0.097 0.000 0.863 352 D CB 1.512 42.253 40.800 -0.099 0.000 1.143 352 D HN 0.746 nan 8.370 nan 0.000 0.458 353 L N 3.443 124.529 121.223 -0.230 0.000 2.187 353 L HA -0.155 4.222 4.340 0.063 0.000 0.213 353 L C 1.927 178.660 176.870 -0.227 0.000 1.100 353 L CA 0.832 55.527 54.840 -0.242 0.000 0.765 353 L CB -0.032 41.747 42.059 -0.467 0.000 0.904 353 L HN 0.484 nan 8.230 nan 0.000 0.437 354 L N -1.149 119.953 121.223 -0.203 0.000 2.592 354 L HA 0.071 4.449 4.340 0.063 0.000 0.227 354 L C 0.383 177.174 176.870 -0.130 0.000 1.127 354 L CA -0.189 54.596 54.840 -0.093 0.000 0.884 354 L CB -0.243 41.858 42.059 0.070 0.000 1.065 354 L HN 0.073 nan 8.230 nan 0.000 0.457 355 D N 2.191 122.266 120.400 -0.542 0.000 2.339 355 D HA 0.108 4.786 4.640 0.063 0.000 0.241 355 D C -1.554 174.523 176.300 -0.371 0.000 1.183 355 D CA -2.168 51.272 54.000 -0.933 0.000 0.859 355 D CB 1.528 41.562 40.800 -1.278 0.000 1.067 355 D HN -0.039 nan 8.370 nan 0.000 0.484 356 P HA -0.027 nan 4.420 nan 0.000 0.245 356 P C 0.819 178.041 177.300 -0.129 0.000 1.212 356 P CA 0.501 63.555 63.100 -0.076 0.000 0.774 356 P CB -0.044 31.723 31.700 0.111 0.000 0.999 357 T N -4.360 110.103 114.554 -0.152 0.000 3.107 357 T HA 0.150 4.538 4.350 0.063 0.000 0.249 357 T C 0.736 175.359 174.700 -0.127 0.000 1.096 357 T CA -0.068 61.952 62.100 -0.132 0.000 1.012 357 T CB -0.188 68.648 68.868 -0.053 0.000 0.977 357 T HN -0.139 nan 8.240 nan 0.000 0.527 358 K N 2.147 122.374 120.400 -0.289 0.000 2.221 358 K HA 0.563 4.920 4.320 0.063 0.000 0.258 358 K C -0.321 176.107 176.600 -0.286 0.000 0.944 358 K CA -0.861 55.116 56.287 -0.517 0.000 0.823 358 K CB 2.121 34.171 32.500 -0.750 0.000 1.113 358 K HN 0.290 nan 8.250 nan 0.000 0.431 359 L N -0.161 121.049 121.223 -0.021 0.000 2.387 359 L HA 0.641 5.018 4.340 0.063 0.000 0.266 359 L C 0.005 176.714 176.870 -0.268 0.000 1.059 359 L CA -0.482 54.288 54.840 -0.118 0.000 0.801 359 L CB 0.246 42.318 42.059 0.022 0.000 1.223 359 L HN 0.436 nan 8.230 nan 0.000 0.456 360 I N 1.523 122.020 120.570 -0.121 0.000 2.312 360 I HA 0.380 4.587 4.170 0.063 0.000 0.290 360 I C -2.124 174.013 176.117 0.033 0.000 1.008 360 I CA -1.643 59.635 61.300 -0.038 0.000 1.226 360 I CB 1.180 39.170 38.000 -0.016 0.000 1.371 360 I HN 0.454 nan 8.210 nan 0.000 0.468 361 P HA 0.115 nan 4.420 nan 0.000 0.276 361 P C 0.186 177.551 177.300 0.109 0.000 1.230 361 P CA -0.198 62.947 63.100 0.075 0.000 0.776 361 P CB 0.650 32.385 31.700 0.058 0.000 0.888 362 E N 1.536 121.809 120.200 0.122 0.000 2.265 362 E HA -0.203 4.185 4.350 0.063 0.000 0.196 362 E C 1.300 177.954 176.600 0.091 0.000 0.996 362 E CA 0.816 57.277 56.400 0.101 0.000 0.832 362 E CB -0.052 29.707 29.700 0.098 0.000 0.756 362 E HN 0.513 nan 8.360 nan 0.000 0.491 363 E N 0.412 120.666 120.200 0.090 0.000 2.204 363 E HA -0.122 4.266 4.350 0.063 0.000 0.194 363 E C 2.037 178.701 176.600 0.106 0.000 0.989 363 E CA 0.697 57.147 56.400 0.083 0.000 0.824 363 E CB 0.102 29.844 29.700 0.070 0.000 0.756 363 E HN 0.381 nan 8.360 nan 0.000 0.477 364 L N -0.348 120.960 121.223 0.142 0.000 2.168 364 L HA 0.055 4.432 4.340 0.063 0.000 0.203 364 L C 0.608 177.600 176.870 0.203 0.000 1.078 364 L CA 0.463 55.427 54.840 0.207 0.000 0.780 364 L CB 0.463 42.714 42.059 0.320 0.000 0.939 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 1.424 121.433 119.914 0.157 0.000 2.462 365 V HA 0.312 4.469 4.120 0.063 0.000 0.288 365 V C -2.406 173.739 176.094 0.086 0.000 1.020 365 V CA -1.328 61.052 62.300 0.133 0.000 0.857 365 V CB 1.773 33.669 31.823 0.120 0.000 1.013 365 V HN -0.038 nan 8.190 nan 0.000 0.431 366 P HA 0.229 nan 4.420 nan 0.000 0.274 366 P C -0.285 177.021 177.300 0.011 0.000 1.231 366 P CA -0.119 63.006 63.100 0.041 0.000 0.790 366 P CB 1.318 33.045 31.700 0.045 0.000 0.951 367 V N 3.089 122.974 119.914 -0.047 0.000 2.470 367 V HA 0.040 4.198 4.120 0.063 0.000 0.276 367 V C 0.944 177.033 176.094 -0.008 0.000 1.040 367 V CA 0.216 62.456 62.300 -0.100 0.000 1.008 367 V CB -0.087 31.589 31.823 -0.244 0.000 0.990 367 V HN 0.562 nan 8.190 nan 0.000 0.477 368 Q N 6.268 126.087 119.800 0.033 0.000 2.274 368 Q HA 0.370 4.748 4.340 0.063 0.000 0.256 368 Q C 0.123 176.128 176.000 0.009 0.000 0.927 368 Q CA -0.822 55.003 55.803 0.037 0.000 0.939 368 Q CB 0.831 29.605 28.738 0.059 0.000 1.201 368 Q HN 0.804 nan 8.270 nan 0.000 0.426 369 R N 1.907 122.436 120.500 0.048 0.000 2.590 369 R HA 0.149 4.527 4.340 0.063 0.000 0.274 369 R C -0.069 176.272 176.300 0.068 0.000 1.061 369 R CA -0.494 55.676 56.100 0.117 0.000 1.081 369 R CB 0.623 31.070 30.300 0.246 0.000 0.984 369 R HN 0.462 nan 8.270 nan 0.000 0.448 370 V N 0.803 120.677 119.914 -0.067 0.000 3.058 370 V HA 0.358 4.515 4.120 0.063 0.000 0.233 370 V C 0.708 176.540 176.094 -0.436 0.000 1.255 370 V CA 1.005 63.132 62.300 -0.289 0.000 1.267 370 V CB 1.007 32.395 31.823 -0.725 0.000 1.049 370 V HN 1.048 nan 8.190 nan 0.000 0.486 371 G N -0.225 108.198 108.800 -0.628 0.000 2.506 371 G HA2 0.512 4.510 3.960 0.063 0.000 0.292 371 G HA3 0.512 4.510 3.960 0.063 0.000 0.292 371 G C -1.897 172.634 174.900 -0.616 0.000 1.425 371 G CA -0.523 43.967 45.100 -1.017 0.000 0.788 371 G HN 0.071 nan 8.290 nan 0.000 0.490 372 K N -0.323 119.744 120.400 -0.555 0.000 2.316 372 K HA 0.743 5.101 4.320 0.063 0.000 0.251 372 K C -0.795 175.862 176.600 0.094 0.000 0.934 372 K CA -0.806 55.469 56.287 -0.019 0.000 0.802 372 K CB 2.026 34.570 32.500 0.074 0.000 1.171 372 K HN 0.571 nan 8.250 nan 0.000 0.426 373 M N 4.558 124.340 119.600 0.303 0.000 2.311 373 M HA 0.408 4.926 4.480 0.063 0.000 0.325 373 M C -1.749 174.536 176.300 -0.024 0.000 1.061 373 M CA -0.778 54.638 55.300 0.194 0.000 0.957 373 M CB 1.737 34.482 32.600 0.242 0.000 1.646 373 M HN 0.358 nan 8.290 nan 0.000 0.434 374 V N 5.713 125.435 119.914 -0.321 0.000 2.487 374 V HA 0.452 4.609 4.120 0.063 0.000 0.298 374 V C -0.950 174.979 176.094 -0.275 0.000 1.028 374 V CA -0.863 61.245 62.300 -0.319 0.000 0.860 374 V CB 1.704 33.209 31.823 -0.530 0.000 0.991 374 V HN 0.650 nan 8.190 nan 0.000 0.427 375 L N 5.946 127.106 121.223 -0.105 0.000 2.255 375 L HA 0.496 4.874 4.340 0.063 0.000 0.289 375 L C 0.663 177.420 176.870 -0.187 0.000 1.046 375 L CA 0.131 54.913 54.840 -0.096 0.000 0.816 375 L CB 0.905 42.968 42.059 0.006 0.000 1.197 375 L HN 0.905 nan 8.230 nan 0.000 0.427 376 N N 2.168 120.663 118.700 -0.341 0.000 2.184 376 N HA 0.145 4.923 4.740 0.063 0.000 0.234 376 N C 0.085 175.372 175.510 -0.372 0.000 1.282 376 N CA -0.269 52.290 53.050 -0.819 0.000 0.877 376 N CB 0.854 38.527 38.487 -1.357 0.000 1.184 376 N HN 0.423 nan 8.380 nan 0.000 0.510 377 R N 0.040 120.449 120.500 -0.152 0.000 2.566 377 R HA 0.341 4.719 4.340 0.063 0.000 0.271 377 R C -1.274 174.969 176.300 -0.095 0.000 1.071 377 R CA -0.588 55.451 56.100 -0.101 0.000 0.915 377 R CB 1.398 31.648 30.300 -0.082 0.000 1.228 377 R HN 0.043 nan 8.270 nan 0.000 0.449 378 N N 2.747 121.280 118.700 -0.279 0.000 2.445 378 N HA 0.344 5.122 4.740 0.063 0.000 0.264 378 N C -2.287 173.146 175.510 -0.129 0.000 1.227 378 N CA -1.285 51.451 53.050 -0.524 0.000 0.963 378 N CB 0.750 38.295 38.487 -1.571 0.000 1.188 378 N HN 0.324 nan 8.380 nan 0.000 0.491 379 P HA 0.144 nan 4.420 nan 0.000 0.275 379 P C 0.032 177.507 177.300 0.291 0.000 1.266 379 P CA -0.121 63.157 63.100 0.296 0.000 0.793 379 P CB 1.120 33.040 31.700 0.366 0.000 1.074 380 D N -1.225 119.325 120.400 0.250 0.000 2.201 380 D HA -0.016 4.662 4.640 0.063 0.000 0.209 380 D C 0.463 176.937 176.300 0.289 0.000 0.961 380 D CA 1.361 55.506 54.000 0.241 0.000 0.861 380 D CB 0.204 41.086 40.800 0.136 0.000 0.997 380 D HN 0.380 nan 8.370 nan 0.000 0.486 381 N N -0.257 118.606 118.700 0.273 0.000 2.461 381 N HA 0.008 4.786 4.740 0.063 0.000 0.284 381 N C 0.027 175.745 175.510 0.346 0.000 1.049 381 N CA -0.345 52.879 53.050 0.291 0.000 0.889 381 N CB 1.592 40.215 38.487 0.228 0.000 1.365 381 N HN -0.162 nan 8.380 nan 0.000 0.499 382 F N 4.148 124.252 119.950 0.257 0.000 2.095 382 F HA -0.189 4.376 4.527 0.063 0.000 0.298 382 F C 1.655 177.593 175.800 0.230 0.000 1.104 382 F CA 1.579 59.732 58.000 0.255 0.000 1.232 382 F CB -0.078 39.046 39.000 0.207 0.000 0.987 382 F HN 0.611 nan 8.300 nan 0.000 0.475 383 F N 0.657 120.845 119.950 0.397 0.000 2.102 383 F HA -0.102 4.463 4.527 0.063 0.000 0.298 383 F C 2.286 178.144 175.800 0.095 0.000 1.105 383 F CA 1.566 59.719 58.000 0.255 0.000 1.239 383 F CB -0.834 38.293 39.000 0.212 0.000 0.991 383 F HN -0.002 nan 8.300 nan 0.000 0.474 384 A N -0.157 122.802 122.820 0.231 0.000 1.902 384 A HA -0.163 4.194 4.320 0.063 0.000 0.217 384 A C 2.063 179.588 177.584 -0.098 0.000 1.181 384 A CA 2.050 54.137 52.037 0.083 0.000 0.623 384 A CB -0.654 18.438 19.000 0.152 0.000 0.818 384 A HN 0.577 nan 8.150 nan 0.000 0.443 385 E N -1.461 118.694 120.200 -0.076 0.000 2.206 385 E HA -0.049 4.339 4.350 0.063 0.000 0.195 385 E C 1.967 178.493 176.600 -0.123 0.000 0.935 385 E CA 0.415 56.716 56.400 -0.165 0.000 0.875 385 E CB -0.114 29.530 29.700 -0.092 0.000 0.841 385 E HN 0.561 nan 8.360 nan 0.000 0.477 386 N N 1.395 119.997 118.700 -0.164 0.000 2.176 386 N HA -0.159 4.619 4.740 0.063 0.000 0.187 386 N C 1.845 177.176 175.510 -0.299 0.000 1.043 386 N CA 1.335 54.222 53.050 -0.271 0.000 0.851 386 N CB 0.056 37.964 38.487 -0.965 0.000 1.018 386 N HN -0.068 nan 8.380 nan 0.000 0.436 387 E N 0.807 120.755 120.200 -0.420 0.000 2.118 387 E HA -0.134 4.253 4.350 0.063 0.000 0.195 387 E C 1.586 177.987 176.600 -0.331 0.000 0.992 387 E CA 1.553 57.785 56.400 -0.281 0.000 0.804 387 E CB -0.141 29.438 29.700 -0.202 0.000 0.741 387 E HN 0.511 nan 8.360 nan 0.000 0.458 388 Q N -0.375 119.167 119.800 -0.430 0.000 2.403 388 Q HA 0.263 4.641 4.340 0.063 0.000 0.203 388 Q C -0.054 175.834 176.000 -0.187 0.000 0.932 388 Q CA 0.180 55.787 55.803 -0.326 0.000 0.945 388 Q CB 0.568 29.094 28.738 -0.353 0.000 1.045 388 Q HN 0.219 nan 8.270 nan 0.000 0.511 389 A N 1.245 123.979 122.820 -0.143 0.000 2.511 389 A HA 0.446 4.803 4.320 0.063 0.000 0.242 389 A C -0.097 177.403 177.584 -0.140 0.000 1.069 389 A CA 0.135 52.079 52.037 -0.155 0.000 0.763 389 A CB 0.237 19.232 19.000 -0.007 0.000 1.001 389 A HN 0.280 nan 8.150 nan 0.000 0.498 390 A N 2.623 125.317 122.820 -0.210 0.000 2.285 390 A HA 0.697 5.055 4.320 0.063 0.000 0.310 390 A C -0.725 176.772 177.584 -0.146 0.000 1.266 390 A CA -0.404 51.572 52.037 -0.102 0.000 0.832 390 A CB 0.165 19.116 19.000 -0.081 0.000 1.163 390 A HN 0.640 nan 8.150 nan 0.000 0.499 391 F N 0.883 120.843 119.950 0.017 0.000 2.458 391 F HA 0.649 5.213 4.527 0.062 0.000 0.330 391 F C 0.359 176.125 175.800 -0.055 0.000 1.082 391 F CA -0.022 57.956 58.000 -0.037 0.000 0.995 391 F CB 1.969 40.892 39.000 -0.128 0.000 1.170 391 F HN 0.751 nan 8.300 nan 0.000 0.478 392 H N 3.008 121.933 119.070 -0.242 0.000 3.154 392 H HA 0.264 4.863 4.556 0.071 0.000 0.330 392 H C -2.536 172.414 175.328 -0.630 0.000 1.033 392 H CA -1.537 54.132 56.048 -0.632 0.000 1.393 392 H CB 2.574 31.922 29.762 -0.690 0.000 1.951 392 H HN 0.178 nan 8.280 nan 0.000 0.466 393 P HA 0.053 nan 4.420 nan 0.000 0.241 393 P C 1.234 178.436 177.300 -0.163 0.000 1.191 393 P CA 1.073 63.881 63.100 -0.486 0.000 0.771 393 P CB 0.211 31.696 31.700 -0.359 0.000 0.929 394 G N -0.662 107.833 108.800 -0.508 0.000 2.559 394 G HA2 -0.176 3.822 3.960 0.063 0.000 0.216 394 G HA3 -0.176 3.822 3.960 0.063 0.000 0.216 394 G C 0.480 175.615 174.900 0.392 0.000 1.126 394 G CA 0.089 45.270 45.100 0.134 0.000 0.778 394 G HN 0.435 nan 8.290 nan 0.000 0.543 395 H N 0.711 119.911 119.070 0.216 0.000 3.092 395 H HA 0.341 4.931 4.556 0.057 0.000 0.263 395 H C 0.596 176.031 175.328 0.179 0.000 1.611 395 H CA -0.824 55.316 56.048 0.153 0.000 1.457 395 H CB -0.060 29.756 29.762 0.090 0.000 1.731 395 H HN 0.373 nan 8.280 nan 0.000 0.532 396 I N -0.302 120.397 120.570 0.216 0.000 3.205 396 I HA 0.665 4.873 4.170 0.063 0.000 0.310 396 I C -0.036 176.072 176.117 -0.016 0.000 1.089 396 I CA -1.371 59.976 61.300 0.079 0.000 1.023 396 I CB 1.703 39.624 38.000 -0.131 0.000 1.269 396 I HN 0.114 nan 8.210 nan 0.000 0.512 397 V N -2.553 117.331 119.914 -0.050 0.000 3.141 397 V HA 0.669 4.827 4.120 0.063 0.000 0.312 397 V C -2.830 173.373 176.094 0.182 0.000 1.157 397 V CA -2.565 59.772 62.300 0.063 0.000 1.041 397 V CB 0.958 32.802 31.823 0.035 0.000 1.071 397 V HN 0.608 nan 8.190 nan 0.000 0.441 398 P HA 0.365 nan 4.420 nan 0.000 0.264 398 P C 0.884 178.180 177.300 -0.007 0.000 1.193 398 P CA 2.027 65.192 63.100 0.108 0.000 0.763 398 P CB 0.685 32.426 31.700 0.068 0.000 0.810 399 G N 1.655 110.403 108.800 -0.086 0.000 2.201 399 G HA2 -0.158 3.840 3.960 0.063 0.000 0.212 399 G HA3 -0.158 3.840 3.960 0.063 0.000 0.212 399 G C -0.212 174.596 174.900 -0.153 0.000 0.994 399 G CA -0.439 44.589 45.100 -0.121 0.000 0.644 399 G HN 0.436 nan 8.290 nan 0.000 0.508 400 L N -0.078 121.066 121.223 -0.131 0.000 2.303 400 L HA 0.925 5.303 4.340 0.063 0.000 0.266 400 L C -0.347 176.453 176.870 -0.116 0.000 1.011 400 L CA -1.035 53.704 54.840 -0.168 0.000 0.818 400 L CB 2.024 43.912 42.059 -0.286 0.000 1.326 400 L HN 0.121 nan 8.230 nan 0.000 0.435 401 D N -0.839 119.476 120.400 -0.141 0.000 2.713 401 D HA 0.429 5.107 4.640 0.063 0.000 0.306 401 D C -1.257 174.947 176.300 -0.160 0.000 1.299 401 D CA -0.379 53.494 54.000 -0.211 0.000 0.823 401 D CB 1.697 42.458 40.800 -0.065 0.000 1.353 401 D HN 0.121 nan 8.370 nan 0.000 0.447 402 F N -0.159 119.916 119.950 0.208 0.000 0.000 402 F HA 0.520 5.085 4.527 0.064 0.000 0.000 402 F C 1.505 177.327 175.800 0.036 0.000 0.000 402 F CA -0.189 57.866 58.000 0.092 0.000 0.000 402 F CB 1.163 40.195 39.000 0.053 0.000 0.000 402 F HN 0.224 nan 8.300 nan 0.000 0.000 403 T N -3.248 111.405 114.554 0.165 0.000 2.742 403 T HA 0.307 4.694 4.350 0.063 0.000 0.282 403 T C -0.038 174.699 174.700 0.063 0.000 1.025 403 T CA -0.968 61.210 62.100 0.129 0.000 1.020 403 T CB 1.151 70.066 68.868 0.078 0.000 1.317 403 T HN 0.341 nan 8.240 nan 0.000 0.538 404 N N 1.043 119.779 118.700 0.061 0.000 2.383 404 N HA 0.063 4.841 4.740 0.063 0.000 0.192 404 N C 0.046 175.560 175.510 0.005 0.000 1.141 404 N CA 0.062 53.129 53.050 0.029 0.000 0.851 404 N CB -0.427 38.093 38.487 0.055 0.000 0.976 404 N HN 0.690 nan 8.380 nan 0.000 0.465 405 D N 2.405 122.793 120.400 -0.020 0.000 2.819 405 D HA -0.101 4.577 4.640 0.063 0.000 0.236 405 D C -1.364 174.911 176.300 -0.041 0.000 1.181 405 D CA -0.704 53.293 54.000 -0.004 0.000 0.855 405 D CB 1.163 41.889 40.800 -0.122 0.000 1.146 405 D HN 0.171 nan 8.370 nan 0.000 0.540 406 P HA -0.096 nan 4.420 nan 0.000 0.233 406 P C 1.540 178.841 177.300 0.001 0.000 1.167 406 P CA 0.081 63.185 63.100 0.007 0.000 0.770 406 P CB 0.437 32.139 31.700 0.002 0.000 0.837 407 L N -0.221 121.013 121.223 0.019 0.000 2.084 407 L HA 0.004 4.382 4.340 0.063 0.000 0.202 407 L C 2.396 179.141 176.870 -0.209 0.000 1.074 407 L CA 1.238 56.074 54.840 -0.006 0.000 0.757 407 L CB -1.603 40.543 42.059 0.145 0.000 0.918 407 L HN -0.171 nan 8.230 nan 0.000 0.444 408 L N -0.473 120.437 121.223 -0.522 0.000 2.013 408 L HA -0.253 4.124 4.340 0.063 0.000 0.212 408 L C 2.470 179.095 176.870 -0.409 0.000 1.073 408 L CA 1.829 56.221 54.840 -0.747 0.000 0.753 408 L CB -0.937 40.492 42.059 -1.049 0.000 0.890 408 L HN 0.382 nan 8.230 nan 0.000 0.432 409 Q N -0.144 119.481 119.800 -0.292 0.000 2.096 409 Q HA -0.198 4.179 4.340 0.063 0.000 0.208 409 Q C 2.095 178.009 176.000 -0.144 0.000 0.993 409 Q CA 2.020 57.695 55.803 -0.213 0.000 0.862 409 Q CB -0.912 27.750 28.738 -0.125 0.000 0.915 409 Q HN 0.715 nan 8.270 nan 0.000 0.416 410 G N 0.213 108.957 108.800 -0.092 0.000 2.464 410 G HA2 -0.180 3.817 3.960 0.063 0.000 0.217 410 G HA3 -0.180 3.817 3.960 0.063 0.000 0.217 410 G C 1.494 176.403 174.900 0.014 0.000 1.138 410 G CA 0.098 45.190 45.100 -0.014 0.000 0.793 410 G HN 0.239 nan 8.290 nan 0.000 0.539 411 R N -0.041 120.417 120.500 -0.070 0.000 2.105 411 R HA -0.010 4.368 4.340 0.063 0.000 0.239 411 R C 2.467 178.851 176.300 0.140 0.000 1.135 411 R CA 0.970 57.087 56.100 0.029 0.000 0.967 411 R CB -0.507 29.786 30.300 -0.011 0.000 0.861 411 R HN 0.341 nan 8.270 nan 0.000 0.442 412 L N -0.360 120.843 121.223 -0.033 0.000 2.127 412 L HA -0.214 4.163 4.340 0.063 0.000 0.211 412 L C 2.300 179.314 176.870 0.240 0.000 1.089 412 L CA 1.143 55.988 54.840 0.008 0.000 0.757 412 L CB -0.470 41.439 42.059 -0.249 0.000 0.899 412 L HN 0.164 nan 8.230 nan 0.000 0.434 413 F N 0.104 120.088 119.950 0.056 0.000 2.163 413 F HA -0.184 4.364 4.527 0.036 0.000 0.297 413 F C 2.777 178.616 175.800 0.064 0.000 1.094 413 F CA 1.551 59.579 58.000 0.047 0.000 1.290 413 F CB -0.235 38.770 39.000 0.008 0.000 1.017 413 F HN -0.037 nan 8.300 nan 0.000 0.483 414 S N -0.730 114.985 115.700 0.025 0.000 2.368 414 S HA -0.209 4.298 4.470 0.063 0.000 0.224 414 S C 2.050 176.517 174.600 -0.222 0.000 1.029 414 S CA 1.388 59.484 58.200 -0.173 0.000 0.988 414 S CB -0.811 62.303 63.200 -0.144 0.000 0.838 414 S HN 0.532 nan 8.310 nan 0.000 0.462 415 Y N 2.022 122.339 120.300 0.028 0.000 2.352 415 Y HA -0.062 4.523 4.550 0.058 0.000 0.292 415 Y C 2.978 178.579 175.900 -0.498 0.000 1.136 415 Y CA 1.324 59.477 58.100 0.089 0.000 1.227 415 Y CB -0.624 38.766 38.460 1.551 0.000 0.991 415 Y HN 0.481 nan 8.280 nan 0.000 0.545 416 T N -2.555 111.629 114.554 -0.617 0.000 2.809 416 T HA -0.150 4.238 4.350 0.063 0.000 0.260 416 T C 1.499 175.979 174.700 -0.367 0.000 1.039 416 T CA 1.200 63.017 62.100 -0.472 0.000 1.141 416 T CB -0.516 68.153 68.868 -0.331 0.000 0.869 416 T HN 0.247 nan 8.240 nan 0.000 0.437 417 D N 1.365 121.492 120.400 -0.454 0.000 2.104 417 D HA -0.142 4.535 4.640 0.063 0.000 0.194 417 D C 2.312 178.446 176.300 -0.277 0.000 0.994 417 D CA 1.856 55.605 54.000 -0.419 0.000 0.830 417 D CB -0.785 39.572 40.800 -0.738 0.000 0.959 417 D HN 0.360 nan 8.370 nan 0.000 0.452 418 T N -1.059 113.327 114.554 -0.281 0.000 2.833 418 T HA -0.143 4.245 4.350 0.063 0.000 0.269 418 T C 1.673 176.248 174.700 -0.208 0.000 1.054 418 T CA 1.248 63.227 62.100 -0.201 0.000 1.135 418 T CB -0.230 68.524 68.868 -0.191 0.000 0.869 418 T HN 0.132 nan 8.240 nan 0.000 0.466 419 Q N 0.746 120.347 119.800 -0.331 0.000 2.226 419 Q HA -0.018 4.359 4.340 0.063 0.000 0.204 419 Q C 2.280 178.146 176.000 -0.223 0.000 0.975 419 Q CA 0.757 56.302 55.803 -0.430 0.000 0.866 419 Q CB -0.502 27.578 28.738 -1.097 0.000 0.915 419 Q HN 0.516 nan 8.270 nan 0.000 0.440 420 I N 0.968 121.459 120.570 -0.132 0.000 2.264 420 I HA -0.222 3.986 4.170 0.063 0.000 0.248 420 I C 2.321 178.441 176.117 0.006 0.000 1.111 420 I CA 1.825 63.120 61.300 -0.009 0.000 1.382 420 I CB -1.405 36.597 38.000 0.005 0.000 1.060 420 I HN 0.216 nan 8.210 nan 0.000 0.418 421 S N 0.209 115.897 115.700 -0.020 0.000 2.441 421 S HA -0.059 4.448 4.470 0.063 0.000 0.224 421 S C 2.171 176.772 174.600 0.003 0.000 1.043 421 S CA 0.127 58.329 58.200 0.004 0.000 0.948 421 S CB -0.253 62.949 63.200 0.004 0.000 0.810 421 S HN 0.321 nan 8.310 nan 0.000 0.504 422 R N 0.857 121.336 120.500 -0.035 0.000 2.075 422 R HA 0.206 4.584 4.340 0.063 0.000 0.232 422 R C 1.344 177.635 176.300 -0.015 0.000 1.126 422 R CA 1.345 57.427 56.100 -0.029 0.000 0.963 422 R CB -0.194 30.064 30.300 -0.070 0.000 0.858 422 R HN 0.444 nan 8.270 nan 0.000 0.435 423 L N -0.743 120.461 121.223 -0.032 0.000 2.857 423 L HA 0.345 4.723 4.340 0.063 0.000 0.249 423 L C 0.792 177.708 176.870 0.077 0.000 1.172 423 L CA 0.276 55.115 54.840 -0.001 0.000 0.980 423 L CB 1.158 43.204 42.059 -0.022 0.000 1.299 423 L HN 0.568 nan 8.230 nan 0.000 0.535 424 G N 0.070 108.931 108.800 0.102 0.000 2.184 424 G HA2 -0.141 3.856 3.960 0.063 0.000 0.264 424 G HA3 -0.141 3.856 3.960 0.063 0.000 0.264 424 G C 0.474 175.507 174.900 0.222 0.000 0.975 424 G CA 0.080 45.296 45.100 0.194 0.000 0.642 424 G HN 0.800 nan 8.290 nan 0.000 0.536 425 G N -1.679 107.239 108.800 0.197 0.000 2.356 425 G HA2 0.587 4.584 3.960 0.063 0.000 0.288 425 G HA3 0.587 4.584 3.960 0.063 0.000 0.288 425 G C -2.201 172.855 174.900 0.261 0.000 1.302 425 G CA 0.390 45.601 45.100 0.185 0.000 0.887 425 G HN 0.483 nan 8.290 nan 0.000 0.521 426 P HA 0.136 nan 4.420 nan 0.000 0.249 426 P C 0.389 177.751 177.300 0.103 0.000 1.229 426 P CA 0.312 63.547 63.100 0.225 0.000 0.788 426 P CB 0.149 31.927 31.700 0.130 0.000 1.072 427 N N 0.392 119.145 118.700 0.089 0.000 2.346 427 N HA 0.050 4.827 4.740 0.063 0.000 0.225 427 N C 1.035 176.412 175.510 -0.221 0.000 1.144 427 N CA -0.144 52.848 53.050 -0.096 0.000 0.837 427 N CB -0.742 37.718 38.487 -0.045 0.000 1.069 427 N HN 0.283 nan 8.380 nan 0.000 0.487 428 F N 0.819 120.761 119.950 -0.014 0.000 2.333 428 F HA -0.118 4.436 4.527 0.045 0.000 0.300 428 F C 2.222 177.951 175.800 -0.117 0.000 1.083 428 F CA 0.901 58.862 58.000 -0.065 0.000 1.395 428 F CB -0.769 38.214 39.000 -0.027 0.000 1.056 428 F HN 0.191 nan 8.300 nan 0.000 0.529 429 H N 0.372 119.050 119.070 -0.654 0.000 2.546 429 H HA 0.063 4.655 4.556 0.061 0.000 0.277 429 H C 0.921 176.076 175.328 -0.287 0.000 1.004 429 H CA 1.320 57.078 56.048 -0.483 0.000 1.231 429 H CB -0.785 28.550 29.762 -0.712 0.000 1.382 429 H HN 0.527 nan 8.280 nan 0.000 0.580 430 E N 0.936 120.663 120.200 -0.788 0.000 2.478 430 E HA 0.169 4.556 4.350 0.063 0.000 0.194 430 E C 0.336 176.805 176.600 -0.219 0.000 1.045 430 E CA -0.248 55.882 56.400 -0.449 0.000 0.868 430 E CB 0.461 29.905 29.700 -0.427 0.000 0.885 430 E HN 0.448 nan 8.360 nan 0.000 0.505 431 I N 2.151 122.617 120.570 -0.173 0.000 2.556 431 I HA -0.028 4.180 4.170 0.063 0.000 0.284 431 I C -1.609 174.440 176.117 -0.113 0.000 1.114 431 I CA -1.506 59.726 61.300 -0.113 0.000 1.418 431 I CB 0.763 38.712 38.000 -0.084 0.000 1.394 431 I HN -0.222 nan 8.210 nan 0.000 0.552 432 P HA -0.199 nan 4.420 nan 0.000 0.215 432 P C 1.749 178.969 177.300 -0.133 0.000 1.153 432 P CA 1.108 64.144 63.100 -0.107 0.000 0.853 432 P CB 0.201 31.846 31.700 -0.092 0.000 0.788 433 I N -0.518 119.949 120.570 -0.172 0.000 2.335 433 I HA -0.212 3.995 4.170 0.063 0.000 0.251 433 I C 1.299 177.329 176.117 -0.145 0.000 1.129 433 I CA 1.754 62.901 61.300 -0.255 0.000 1.402 433 I CB -0.536 37.203 38.000 -0.435 0.000 1.069 433 I HN -0.092 nan 8.210 nan 0.000 0.424 434 N N 0.625 119.261 118.700 -0.108 0.000 2.422 434 N HA 0.039 4.817 4.740 0.063 0.000 0.181 434 N C 0.263 175.765 175.510 -0.013 0.000 1.080 434 N CA 0.193 53.208 53.050 -0.057 0.000 0.893 434 N CB -0.104 38.366 38.487 -0.027 0.000 0.973 434 N HN 0.378 nan 8.380 nan 0.000 0.456 435 R N 1.620 122.106 120.500 -0.023 0.000 2.570 435 R HA 0.144 4.522 4.340 0.063 0.000 0.277 435 R C -2.232 174.110 176.300 0.071 0.000 1.039 435 R CA -1.202 54.889 56.100 -0.015 0.000 1.065 435 R CB -0.165 30.114 30.300 -0.034 0.000 0.964 435 R HN 0.009 nan 8.270 nan 0.000 0.428 436 P HA -0.041 nan 4.420 nan 0.000 0.267 436 P C 0.562 177.919 177.300 0.094 0.000 1.200 436 P CA 0.217 63.380 63.100 0.105 0.000 0.772 436 P CB 0.658 32.389 31.700 0.052 0.000 0.855 437 T N -2.203 112.415 114.554 0.108 0.000 3.065 437 T HA 0.062 4.450 4.350 0.063 0.000 0.252 437 T C 0.889 175.626 174.700 0.061 0.000 1.099 437 T CA -0.015 62.109 62.100 0.040 0.000 1.063 437 T CB -0.989 67.882 68.868 0.005 0.000 0.948 437 T HN 0.562 nan 8.240 nan 0.000 0.506 438 C N 0.937 120.290 119.300 0.088 0.000 2.345 438 C HA 0.765 5.263 4.460 0.063 0.000 0.369 438 C C -2.472 172.572 174.990 0.091 0.000 1.273 438 C CA -2.496 56.574 59.018 0.086 0.000 2.310 438 C CB -0.078 27.718 27.740 0.095 0.000 2.219 438 C HN 0.152 nan 8.230 nan 0.000 0.587 439 P HA 0.309 nan 4.420 nan 0.000 0.268 439 P C -1.235 176.132 177.300 0.111 0.000 1.205 439 P CA 0.435 63.599 63.100 0.108 0.000 0.771 439 P CB -0.006 31.805 31.700 0.186 0.000 0.858 440 Y N 0.977 121.150 120.300 -0.212 0.000 2.386 440 Y HA 0.673 5.260 4.550 0.062 0.000 0.334 440 Y C -1.415 174.122 175.900 -0.604 0.000 1.002 440 Y CA -0.917 57.038 58.100 -0.241 0.000 1.068 440 Y CB 1.416 39.766 38.460 -0.183 0.000 1.203 440 Y HN 0.447 nan 8.280 nan 0.000 0.443 441 H N 3.558 122.517 119.070 -0.185 0.000 2.954 441 H HA 0.551 5.145 4.556 0.063 0.000 0.361 441 H C -1.167 174.043 175.328 -0.196 0.000 1.122 441 H CA -0.800 55.059 56.048 -0.315 0.000 1.217 441 H CB 1.735 31.343 29.762 -0.257 0.000 1.776 441 H HN 0.900 nan 8.280 nan 0.000 0.533 442 N N 0.272 118.866 118.700 -0.177 0.000 3.449 442 N HA 0.188 4.966 4.740 0.063 0.000 0.312 442 N C -1.267 174.004 175.510 -0.399 0.000 1.557 442 N CA -0.903 51.999 53.050 -0.247 0.000 0.864 442 N CB 0.651 39.147 38.487 0.015 0.000 1.799 442 N HN 0.328 nan 8.380 nan 0.000 0.554 443 F N -0.378 119.614 119.950 0.071 0.000 2.653 443 F HA 0.371 4.931 4.527 0.055 0.000 0.304 443 F C 0.354 176.197 175.800 0.072 0.000 1.092 443 F CA -0.359 57.678 58.000 0.062 0.000 1.279 443 F CB 0.308 39.341 39.000 0.054 0.000 1.044 443 F HN 0.143 nan 8.300 nan 0.000 0.564 444 Q N 1.756 121.662 119.800 0.177 0.000 2.332 444 Q HA 0.373 4.751 4.340 0.063 0.000 0.263 444 Q C 0.040 176.116 176.000 0.126 0.000 0.979 444 Q CA 0.056 55.942 55.803 0.138 0.000 0.885 444 Q CB 1.013 29.806 28.738 0.092 0.000 1.218 444 Q HN 0.086 nan 8.270 nan 0.000 0.405 445 R N 1.748 122.317 120.500 0.114 0.000 2.836 445 R HA 0.377 4.755 4.340 0.063 0.000 0.269 445 R C -0.630 175.720 176.300 0.082 0.000 1.010 445 R CA -0.634 55.526 56.100 0.099 0.000 0.930 445 R CB 1.294 31.655 30.300 0.102 0.000 1.218 445 R HN 0.712 nan 8.270 nan 0.000 0.473 446 D N -0.287 120.154 120.400 0.068 0.000 3.455 446 D HA -0.159 4.518 4.640 0.063 0.000 0.216 446 D C 0.291 176.621 176.300 0.050 0.000 1.510 446 D CA 1.892 55.923 54.000 0.051 0.000 1.128 446 D CB -1.115 39.712 40.800 0.045 0.000 0.680 446 D HN 0.898 nan 8.370 nan 0.000 0.828 447 G N -1.174 107.648 108.800 0.037 0.000 2.733 447 G HA2 0.160 4.158 3.960 0.063 0.000 0.686 447 G HA3 0.160 4.158 3.960 0.063 0.000 0.686 447 G C -0.213 174.690 174.900 0.005 0.000 1.373 447 G CA 0.102 45.221 45.100 0.032 0.000 0.838 447 G HN 0.827 nan 8.290 nan 0.000 0.588 448 M N 1.444 121.026 119.600 -0.031 0.000 2.249 448 M HA 0.453 4.971 4.480 0.063 0.000 0.340 448 M C 1.253 177.507 176.300 -0.078 0.000 1.166 448 M CA 1.444 56.642 55.300 -0.170 0.000 1.115 448 M CB -0.756 31.656 32.600 -0.314 0.000 1.606 448 M HN 1.225 nan 8.290 nan 0.000 0.448 449 H N -0.369 118.708 119.070 0.012 0.000 2.936 449 H HA -0.168 4.425 4.556 0.061 0.000 0.276 449 H C -0.382 174.940 175.328 -0.010 0.000 1.216 449 H CA 0.544 56.594 56.048 0.004 0.000 1.132 449 H CB -1.451 28.315 29.762 0.007 0.000 1.303 449 H HN 0.631 nan 8.280 nan 0.000 0.370 450 R N 1.449 121.995 120.500 0.075 0.000 2.421 450 R HA 0.068 4.445 4.340 0.063 0.000 0.305 450 R C 0.991 177.310 176.300 0.032 0.000 1.039 450 R CA 0.135 56.261 56.100 0.044 0.000 1.003 450 R CB 0.337 30.659 30.300 0.038 0.000 0.959 450 R HN 0.266 nan 8.270 nan 0.000 0.427 451 M N 2.775 122.380 119.600 0.008 0.000 2.412 451 M HA 0.206 4.724 4.480 0.063 0.000 0.263 451 M C 0.981 177.282 176.300 0.001 0.000 1.122 451 M CA 1.006 56.306 55.300 -0.001 0.000 1.179 451 M CB -0.867 31.717 32.600 -0.026 0.000 1.335 451 M HN 0.711 nan 8.290 nan 0.000 0.465 452 G N 2.318 111.122 108.800 0.007 0.000 2.313 452 G HA2 0.340 4.337 3.960 0.063 0.000 0.250 452 G HA3 0.340 4.337 3.960 0.063 0.000 0.250 452 G C -0.259 174.643 174.900 0.004 0.000 1.281 452 G CA -0.322 44.780 45.100 0.004 0.000 0.917 452 G HN 0.337 nan 8.290 nan 0.000 0.501 453 I N 3.021 123.586 120.570 -0.008 0.000 2.287 453 I HA 0.088 4.296 4.170 0.063 0.000 0.290 453 I C -0.209 175.903 176.117 -0.008 0.000 1.069 453 I CA -0.542 60.757 61.300 -0.001 0.000 1.237 453 I CB 0.841 38.840 38.000 -0.001 0.000 1.418 453 I HN 0.343 nan 8.210 nan 0.000 0.481 454 D N 4.993 125.393 120.400 0.001 0.000 2.348 454 D HA 0.047 4.725 4.640 0.063 0.000 0.253 454 D C 1.291 177.595 176.300 0.008 0.000 1.161 454 D CA 0.242 54.240 54.000 -0.003 0.000 0.876 454 D CB 1.752 42.558 40.800 0.010 0.000 1.160 454 D HN 0.580 nan 8.370 nan 0.000 0.459 455 T N -0.652 113.901 114.554 -0.000 0.000 3.081 455 T HA -0.072 4.316 4.350 0.063 0.000 0.250 455 T C 0.867 175.578 174.700 0.018 0.000 1.100 455 T CA -0.499 61.605 62.100 0.006 0.000 1.038 455 T CB 0.140 69.005 68.868 -0.006 0.000 0.962 455 T HN 0.112 nan 8.240 nan 0.000 0.516 456 N N 3.301 122.014 118.700 0.021 0.000 2.411 456 N HA 0.096 4.874 4.740 0.063 0.000 0.265 456 N C -1.697 173.856 175.510 0.071 0.000 1.266 456 N CA -1.576 51.500 53.050 0.044 0.000 0.889 456 N CB 1.387 39.902 38.487 0.046 0.000 1.069 456 N HN 0.060 nan 8.380 nan 0.000 0.476 457 P HA -0.065 nan 4.420 nan 0.000 0.218 457 P C -0.581 176.784 177.300 0.108 0.000 1.146 457 P CA 1.049 64.196 63.100 0.080 0.000 0.813 457 P CB 0.194 31.936 31.700 0.070 0.000 0.778 458 A N 0.582 123.458 122.820 0.093 0.000 2.305 458 A HA 0.378 4.735 4.320 0.063 0.000 0.322 458 A C 0.418 178.114 177.584 0.186 0.000 1.187 458 A CA -0.639 51.407 52.037 0.016 0.000 0.825 458 A CB -0.093 18.760 19.000 -0.245 0.000 1.164 458 A HN 0.291 nan 8.150 nan 0.000 0.498 459 N N 0.657 119.511 118.700 0.256 0.000 2.416 459 N HA 0.397 5.174 4.740 0.063 0.000 0.267 459 N C -0.931 174.756 175.510 0.296 0.000 1.294 459 N CA -0.385 52.895 53.050 0.384 0.000 0.891 459 N CB 0.297 38.958 38.487 0.290 0.000 1.238 459 N HN 0.688 nan 8.380 nan 0.000 0.508 460 Y N -1.355 118.793 120.300 -0.254 0.000 2.624 460 Y HA 0.642 5.227 4.550 0.058 0.000 0.334 460 Y C -1.611 173.653 175.900 -1.060 0.000 1.155 460 Y CA -1.370 56.410 58.100 -0.533 0.000 1.046 460 Y CB 0.966 39.288 38.460 -0.231 0.000 1.316 460 Y HN 0.087 nan 8.280 nan 0.000 0.457 461 E N 1.007 120.714 120.200 -0.821 0.000 2.356 461 E HA 0.655 5.042 4.350 0.063 0.000 0.275 461 E C -3.162 173.326 176.600 -0.186 0.000 0.904 461 E CA -2.026 54.002 56.400 -0.621 0.000 0.757 461 E CB 1.631 30.917 29.700 -0.690 0.000 1.232 461 E HN 0.586 nan 8.360 nan 0.000 0.442 462 P HA 0.264 nan 4.420 nan 0.000 0.275 462 P C -1.247 175.985 177.300 -0.113 0.000 1.228 462 P CA -0.409 62.617 63.100 -0.123 0.000 0.786 462 P CB 0.467 32.134 31.700 -0.056 0.000 0.927 463 N N -1.279 117.280 118.700 -0.234 0.000 2.229 463 N HA 0.301 5.078 4.740 0.063 0.000 0.298 463 N C 0.321 175.770 175.510 -0.102 0.000 1.114 463 N CA -0.759 52.152 53.050 -0.232 0.000 0.776 463 N CB 1.485 39.504 38.487 -0.780 0.000 1.501 463 N HN 0.190 nan 8.380 nan 0.000 0.474 464 S N 0.978 116.670 115.700 -0.014 0.000 2.492 464 S HA -0.025 4.483 4.470 0.063 0.000 0.218 464 S C 1.538 176.145 174.600 0.011 0.000 1.016 464 S CA 0.105 58.302 58.200 -0.005 0.000 0.916 464 S CB -0.803 62.408 63.200 0.019 0.000 0.791 464 S HN 0.721 nan 8.310 nan 0.000 0.513 465 I N -0.822 119.760 120.570 0.020 0.000 2.830 465 I HA 0.232 4.439 4.170 0.063 0.000 0.263 465 I C 1.227 177.372 176.117 0.046 0.000 1.230 465 I CA 1.175 62.502 61.300 0.045 0.000 1.480 465 I CB -0.361 37.686 38.000 0.079 0.000 1.095 465 I HN 0.191 nan 8.210 nan 0.000 0.455 466 N N 1.218 119.940 118.700 0.038 0.000 2.365 466 N HA 0.044 4.822 4.740 0.063 0.000 0.257 466 N C -0.115 175.494 175.510 0.164 0.000 1.287 466 N CA -0.069 53.046 53.050 0.109 0.000 0.882 466 N CB 0.042 38.605 38.487 0.128 0.000 1.250 466 N HN 0.205 nan 8.380 nan 0.000 0.507 467 D N 0.786 121.228 120.400 0.070 0.000 2.751 467 D HA -0.253 4.424 4.640 0.063 0.000 0.233 467 D C -0.096 176.080 176.300 -0.206 0.000 1.149 467 D CA 1.069 55.072 54.000 0.005 0.000 0.682 467 D CB -1.359 39.521 40.800 0.133 0.000 1.068 467 D HN 0.484 nan 8.370 nan 0.000 0.429 468 N N -1.746 116.864 118.700 -0.150 0.000 2.800 468 N HA -0.245 4.532 4.740 0.063 0.000 0.250 468 N C -0.801 174.600 175.510 -0.182 0.000 1.078 468 N CA 1.394 54.320 53.050 -0.207 0.000 0.804 468 N CB -1.306 37.012 38.487 -0.281 0.000 1.135 468 N HN 0.539 nan 8.380 nan 0.000 0.565 469 W N 1.135 122.482 121.300 0.079 0.000 2.381 469 W HA 0.448 5.144 4.660 0.061 0.000 0.329 469 W C -1.665 174.882 176.519 0.047 0.000 1.157 469 W CA -1.579 55.792 57.345 0.043 0.000 1.240 469 W CB 0.553 29.989 29.460 -0.039 0.000 1.199 469 W HN -0.044 nan 8.180 nan 0.000 0.579 470 P HA 0.203 nan 4.420 nan 0.000 0.275 470 P C -0.702 176.724 177.300 0.210 0.000 1.228 470 P CA -0.167 63.053 63.100 0.200 0.000 0.786 470 P CB 0.997 32.662 31.700 -0.059 0.000 0.927 471 R N 1.282 121.901 120.500 0.199 0.000 2.540 471 R HA 0.290 4.668 4.340 0.063 0.000 0.287 471 R C 0.356 176.695 176.300 0.064 0.000 0.980 471 R CA -0.812 55.282 56.100 -0.010 0.000 0.966 471 R CB 1.065 31.153 30.300 -0.353 0.000 1.106 471 R HN 0.491 nan 8.270 nan 0.000 0.480 472 E N 0.822 121.050 120.200 0.046 0.000 2.492 472 E HA -0.053 4.335 4.350 0.063 0.000 0.266 472 E C -0.533 176.092 176.600 0.042 0.000 1.047 472 E CA 0.895 57.328 56.400 0.054 0.000 0.968 472 E CB 0.476 30.196 29.700 0.033 0.000 0.960 472 E HN 0.369 nan 8.360 nan 0.000 0.452 473 T N 3.816 118.405 114.554 0.058 0.000 2.881 473 T HA 0.319 4.707 4.350 0.063 0.000 0.291 473 T C -2.440 172.285 174.700 0.042 0.000 0.990 473 T CA -1.566 60.566 62.100 0.054 0.000 0.976 473 T CB 1.429 70.341 68.868 0.073 0.000 0.970 473 T HN 0.244 nan 8.240 nan 0.000 0.438 474 P HA 0.196 nan 4.420 nan 0.000 0.267 474 P C -2.440 174.867 177.300 0.011 0.000 1.200 474 P CA -1.185 61.924 63.100 0.014 0.000 0.772 474 P CB -0.385 31.319 31.700 0.006 0.000 0.855 475 P HA 0.263 nan 4.420 nan 0.000 0.272 475 P C 0.030 177.319 177.300 -0.019 0.000 1.223 475 P CA 0.371 63.458 63.100 -0.023 0.000 0.784 475 P CB 0.800 32.467 31.700 -0.056 0.000 0.923 476 G N 1.091 109.878 108.800 -0.021 0.000 2.561 476 G HA2 0.376 4.373 3.960 0.063 0.000 0.310 476 G HA3 0.376 4.373 3.960 0.063 0.000 0.310 476 G C -2.522 172.366 174.900 -0.019 0.000 1.292 476 G CA -0.685 44.405 45.100 -0.017 0.000 0.811 476 G HN 0.090 nan 8.290 nan 0.000 0.482 477 P HA 0.090 nan 4.420 nan 0.000 0.216 477 P C 0.231 177.525 177.300 -0.010 0.000 1.150 477 P CA 1.249 64.340 63.100 -0.015 0.000 0.837 477 P CB 0.171 31.865 31.700 -0.010 0.000 0.786 478 K N -2.032 118.369 120.400 0.002 0.000 2.546 478 K HA 0.359 4.717 4.320 0.063 0.000 0.264 478 K C -0.269 176.345 176.600 0.025 0.000 0.937 478 K CA -0.893 55.402 56.287 0.013 0.000 0.833 478 K CB 2.000 34.510 32.500 0.016 0.000 1.378 478 K HN -0.341 nan 8.250 nan 0.000 0.432 479 R N -0.658 119.864 120.500 0.037 0.000 3.863 479 R HA -0.148 4.229 4.340 0.063 0.000 0.313 479 R C 0.049 176.379 176.300 0.049 0.000 1.202 479 R CA 1.056 57.185 56.100 0.049 0.000 0.852 479 R CB -2.250 28.078 30.300 0.046 0.000 1.292 479 R HN 0.948 nan 8.270 nan 0.000 0.519 480 G N -0.711 108.113 108.800 0.039 0.000 2.522 480 G HA2 0.602 4.599 3.960 0.063 0.000 0.304 480 G HA3 0.602 4.599 3.960 0.063 0.000 0.304 480 G C 0.350 175.283 174.900 0.054 0.000 1.210 480 G CA 0.099 45.220 45.100 0.035 0.000 0.960 480 G HN 0.238 nan 8.290 nan 0.000 0.497 481 G N -1.419 107.414 108.800 0.055 0.000 2.539 481 G HA2 0.422 4.420 3.960 0.063 0.000 0.258 481 G HA3 0.422 4.420 3.960 0.063 0.000 0.258 481 G C -0.736 174.217 174.900 0.088 0.000 1.202 481 G CA -0.597 44.559 45.100 0.092 0.000 0.851 481 G HN 0.447 nan 8.290 nan 0.000 0.556 482 F N 0.448 120.415 119.950 0.029 0.000 2.504 482 F HA 0.373 4.940 4.527 0.067 0.000 0.369 482 F C 0.550 176.366 175.800 0.027 0.000 1.082 482 F CA -0.188 57.825 58.000 0.022 0.000 1.216 482 F CB 0.850 39.867 39.000 0.027 0.000 1.108 482 F HN 0.445 nan 8.300 nan 0.000 0.554 483 E N 4.285 124.125 120.200 -0.600 0.000 2.256 483 E HA 0.312 4.699 4.350 0.063 0.000 0.268 483 E C -1.102 175.199 176.600 -0.500 0.000 0.877 483 E CA -0.796 55.418 56.400 -0.310 0.000 0.757 483 E CB 1.511 31.110 29.700 -0.169 0.000 1.183 483 E HN 0.616 nan 8.360 nan 0.000 0.418 484 S N 2.651 118.282 115.700 -0.114 0.000 2.562 484 S HA -0.025 4.483 4.470 0.063 0.000 0.281 484 S C -0.503 174.088 174.600 -0.014 0.000 1.333 484 S CA -0.289 57.920 58.200 0.015 0.000 1.052 484 S CB 0.082 63.400 63.200 0.196 0.000 0.884 484 S HN 0.476 nan 8.310 nan 0.000 0.506 485 Y N 2.589 122.829 120.300 -0.100 0.000 2.717 485 Y HA -0.030 4.557 4.550 0.061 0.000 0.330 485 Y C 0.872 176.755 175.900 -0.028 0.000 1.217 485 Y CA 0.201 58.252 58.100 -0.083 0.000 1.506 485 Y CB 0.175 38.581 38.460 -0.089 0.000 1.268 485 Y HN 0.580 nan 8.280 nan 0.000 0.561 486 Q N 5.311 124.738 119.800 -0.621 0.000 3.247 486 Q HA 0.032 4.409 4.340 0.063 0.000 0.326 486 Q C -0.231 175.463 176.000 -0.510 0.000 1.402 486 Q CA -0.087 55.465 55.803 -0.418 0.000 0.994 486 Q CB -0.139 28.426 28.738 -0.289 0.000 1.647 486 Q HN 0.651 nan 8.270 nan 0.000 0.523 487 E N 1.426 121.402 120.200 -0.374 0.000 2.413 487 E HA 0.006 4.393 4.350 0.063 0.000 0.263 487 E C -0.223 176.339 176.600 -0.063 0.000 1.015 487 E CA -0.426 55.887 56.400 -0.145 0.000 0.916 487 E CB 0.663 30.426 29.700 0.105 0.000 0.947 487 E HN 0.146 nan 8.360 nan 0.000 0.440 488 R N 2.885 123.377 120.500 -0.014 0.000 2.389 488 R HA 0.214 4.591 4.340 0.063 0.000 0.295 488 R C -1.460 174.863 176.300 0.037 0.000 1.075 488 R CA -0.222 55.882 56.100 0.006 0.000 1.005 488 R CB 0.849 31.161 30.300 0.020 0.000 0.987 488 R HN 0.283 nan 8.270 nan 0.000 0.452 489 V N 4.884 124.813 119.914 0.025 0.000 2.409 489 V HA 0.404 4.562 4.120 0.063 0.000 0.291 489 V C -0.505 175.603 176.094 0.023 0.000 1.020 489 V CA -0.559 61.761 62.300 0.032 0.000 0.848 489 V CB 1.554 33.393 31.823 0.026 0.000 0.990 489 V HN 0.824 nan 8.190 nan 0.000 0.430 490 E N 2.852 123.068 120.200 0.026 0.000 2.302 490 E HA 0.697 5.085 4.350 0.063 0.000 0.263 490 E C -0.100 176.507 176.600 0.012 0.000 0.897 490 E CA -0.352 56.057 56.400 0.015 0.000 0.809 490 E CB 2.243 31.953 29.700 0.015 0.000 1.270 490 E HN 0.977 nan 8.360 nan 0.000 0.410 491 G N 2.418 111.219 108.800 0.003 0.000 2.328 491 G HA2 0.151 4.148 3.960 0.063 0.000 0.295 491 G HA3 0.151 4.148 3.960 0.063 0.000 0.295 491 G C -1.434 173.461 174.900 -0.008 0.000 1.413 491 G CA -1.007 44.091 45.100 -0.003 0.000 0.817 491 G HN 0.357 nan 8.290 nan 0.000 0.546 492 N N -0.045 118.647 118.700 -0.014 0.000 2.476 492 N HA 0.442 5.220 4.740 0.063 0.000 0.275 492 N C -0.216 175.281 175.510 -0.021 0.000 1.190 492 N CA -0.553 52.488 53.050 -0.016 0.000 0.977 492 N CB 0.911 39.387 38.487 -0.017 0.000 1.200 492 N HN 0.419 nan 8.380 nan 0.000 0.515 493 K N 0.978 121.365 120.400 -0.022 0.000 2.382 493 K HA 0.198 4.555 4.320 0.063 0.000 0.286 493 K C -0.751 175.828 176.600 -0.035 0.000 1.062 493 K CA -0.158 56.112 56.287 -0.028 0.000 1.000 493 K CB -0.223 32.262 32.500 -0.025 0.000 0.954 493 K HN 0.358 nan 8.250 nan 0.000 0.470 494 V N 0.372 120.260 119.914 -0.044 0.000 2.925 494 V HA 0.480 4.637 4.120 0.063 0.000 0.311 494 V C -0.567 175.487 176.094 -0.067 0.000 1.104 494 V CA -1.335 60.935 62.300 -0.051 0.000 0.954 494 V CB 2.025 33.820 31.823 -0.048 0.000 1.022 494 V HN 0.629 nan 8.190 nan 0.000 0.427 495 R N 2.326 122.782 120.500 -0.073 0.000 2.369 495 R HA 0.606 4.984 4.340 0.063 0.000 0.310 495 R C -0.524 175.725 176.300 -0.084 0.000 1.141 495 R CA -0.138 55.905 56.100 -0.095 0.000 1.116 495 R CB 0.807 31.038 30.300 -0.116 0.000 1.135 495 R HN 0.927 nan 8.270 nan 0.000 0.529 496 E N 2.015 122.162 120.200 -0.089 0.000 2.321 496 E HA 0.205 4.593 4.350 0.063 0.000 0.281 496 E C -1.261 175.268 176.600 -0.119 0.000 0.910 496 E CA -1.017 55.333 56.400 -0.083 0.000 0.770 496 E CB 1.626 31.285 29.700 -0.069 0.000 1.225 496 E HN 0.129 nan 8.360 nan 0.000 0.417 497 R N 1.755 122.188 120.500 -0.111 0.000 2.442 497 R HA 0.160 4.537 4.340 0.063 0.000 0.291 497 R C -0.420 175.755 176.300 -0.209 0.000 1.069 497 R CA 0.205 56.199 56.100 -0.177 0.000 1.022 497 R CB 0.960 31.215 30.300 -0.075 0.000 0.976 497 R HN 0.382 nan 8.270 nan 0.000 0.443 498 S N 5.145 120.602 115.700 -0.404 0.000 2.546 498 S HA 0.067 4.575 4.470 0.063 0.000 0.290 498 S C -1.502 173.066 174.600 -0.053 0.000 1.290 498 S CA -1.120 56.933 58.200 -0.246 0.000 1.069 498 S CB 0.593 63.593 63.200 -0.333 0.000 0.846 498 S HN 0.541 nan 8.310 nan 0.000 0.495 499 P HA -0.078 nan 4.420 nan 0.000 0.221 499 P C 1.369 178.725 177.300 0.094 0.000 1.145 499 P CA 1.047 64.171 63.100 0.041 0.000 0.795 499 P CB -0.091 31.624 31.700 0.024 0.000 0.775 500 S N -2.222 113.578 115.700 0.166 0.000 2.515 500 S HA -0.063 4.445 4.470 0.063 0.000 0.231 500 S C 1.405 176.164 174.600 0.265 0.000 0.987 500 S CA 0.612 58.934 58.200 0.203 0.000 0.936 500 S CB -1.285 62.068 63.200 0.255 0.000 0.766 500 S HN -0.024 nan 8.310 nan 0.000 0.528 501 F N 2.420 122.359 119.950 -0.020 0.000 2.780 501 F HA 0.366 4.930 4.527 0.062 0.000 0.299 501 F C 1.933 177.656 175.800 -0.129 0.000 1.146 501 F CA -0.775 57.207 58.000 -0.030 0.000 1.428 501 F CB -0.659 38.357 39.000 0.027 0.000 1.115 501 F HN 0.354 nan 8.300 nan 0.000 0.583 502 G N 0.501 109.291 108.800 -0.017 0.000 3.581 502 G HA2 0.132 4.129 3.960 0.063 0.000 0.255 502 G HA3 0.132 4.129 3.960 0.063 0.000 0.255 502 G C -0.108 174.371 174.900 -0.703 0.000 1.121 502 G CA 0.094 45.018 45.100 -0.293 0.000 1.739 502 G HN 0.032 nan 8.290 nan 0.000 0.646 503 E N 0.122 119.802 120.200 -0.866 0.000 2.275 503 E HA 0.361 4.749 4.350 0.063 0.000 0.270 503 E C -0.954 175.191 176.600 -0.759 0.000 0.882 503 E CA -0.757 55.202 56.400 -0.735 0.000 0.758 503 E CB 1.663 31.200 29.700 -0.273 0.000 1.195 503 E HN 0.201 nan 8.360 nan 0.000 0.419 504 Y N 2.423 122.507 120.300 -0.360 0.000 2.448 504 Y HA 0.191 4.778 4.550 0.062 0.000 0.257 504 Y C 0.756 176.413 175.900 -0.404 0.000 1.089 504 Y CA -0.137 57.675 58.100 -0.479 0.000 1.245 504 Y CB 0.378 38.402 38.460 -0.727 0.000 1.282 504 Y HN 0.412 nan 8.280 nan 0.000 0.529 505 Y N -1.530 118.862 120.300 0.152 0.000 2.535 505 Y HA 0.145 4.733 4.550 0.063 0.000 0.266 505 Y C 2.254 178.218 175.900 0.106 0.000 1.088 505 Y CA 0.240 58.422 58.100 0.137 0.000 1.285 505 Y CB -0.331 38.215 38.460 0.143 0.000 1.166 505 Y HN -0.124 nan 8.280 nan 0.000 0.525 506 S N -0.557 115.278 115.700 0.224 0.000 2.368 506 S HA -0.177 4.330 4.470 0.063 0.000 0.225 506 S C 1.666 176.343 174.600 0.129 0.000 1.030 506 S CA 1.475 59.785 58.200 0.184 0.000 0.999 506 S CB -0.437 62.878 63.200 0.192 0.000 0.844 506 S HN 0.573 nan 8.310 nan 0.000 0.459 507 H N 1.004 119.988 119.070 -0.143 0.000 2.326 507 H HA -0.001 4.593 4.556 0.063 0.000 0.301 507 H C -0.566 174.564 175.328 -0.330 0.000 1.081 507 H CA 1.108 56.920 56.048 -0.393 0.000 1.334 507 H CB -1.362 27.927 29.762 -0.787 0.000 1.385 507 H HN 0.313 nan 8.280 nan 0.000 0.504 508 P HA -0.188 nan 4.420 nan 0.000 0.216 508 P C 1.620 179.103 177.300 0.305 0.000 1.153 508 P CA 1.509 64.765 63.100 0.261 0.000 0.858 508 P CB -0.117 31.762 31.700 0.299 0.000 0.789 509 R N -0.484 120.146 120.500 0.215 0.000 2.062 509 R HA -0.108 4.270 4.340 0.063 0.000 0.229 509 R C 2.166 178.588 176.300 0.204 0.000 1.128 509 R CA 1.077 57.306 56.100 0.216 0.000 0.960 509 R CB -1.125 29.266 30.300 0.152 0.000 0.855 509 R HN 0.033 nan 8.270 nan 0.000 0.432 510 L N 0.738 122.022 121.223 0.102 0.000 2.013 510 L HA -0.193 4.185 4.340 0.063 0.000 0.212 510 L C 1.987 178.904 176.870 0.079 0.000 1.073 510 L CA 1.853 56.717 54.840 0.039 0.000 0.753 510 L CB -0.897 41.110 42.059 -0.087 0.000 0.890 510 L HN 0.272 nan 8.230 nan 0.000 0.432 511 F N -0.834 119.131 119.950 0.024 0.000 2.102 511 F HA -0.273 4.292 4.527 0.064 0.000 0.298 511 F C 2.351 178.142 175.800 -0.014 0.000 1.105 511 F CA 2.153 60.144 58.000 -0.014 0.000 1.239 511 F CB -0.639 38.372 39.000 0.019 0.000 0.991 511 F HN 0.401 nan 8.300 nan 0.000 0.474 512 W N 1.295 122.578 121.300 -0.029 0.000 2.335 512 W HA -0.242 4.456 4.660 0.062 0.000 0.311 512 W C 1.665 178.061 176.519 -0.204 0.000 1.213 512 W CA 1.732 59.015 57.345 -0.104 0.000 1.274 512 W CB -0.690 28.795 29.460 0.041 0.000 1.148 512 W HN 0.077 nan 8.180 nan 0.000 0.498 513 L N 1.028 122.177 121.223 -0.123 0.000 2.376 513 L HA -0.128 4.249 4.340 0.063 0.000 0.219 513 L C 2.272 178.953 176.870 -0.314 0.000 1.133 513 L CA 0.894 55.598 54.840 -0.226 0.000 0.816 513 L CB -0.583 41.461 42.059 -0.025 0.000 0.933 513 L HN -0.148 nan 8.230 nan 0.000 0.449 514 S N -1.448 114.035 115.700 -0.361 0.000 2.575 514 S HA 0.081 4.588 4.470 0.063 0.000 0.215 514 S C 0.653 174.960 174.600 -0.488 0.000 0.966 514 S CA 0.017 58.004 58.200 -0.356 0.000 0.911 514 S CB 0.091 63.112 63.200 -0.298 0.000 0.780 514 S HN 0.267 nan 8.310 nan 0.000 0.514 515 Q N 2.056 121.466 119.800 -0.650 0.000 2.214 515 Q HA 0.325 4.703 4.340 0.063 0.000 0.251 515 Q C 0.543 176.146 176.000 -0.662 0.000 0.936 515 Q CA -0.177 55.199 55.803 -0.713 0.000 0.894 515 Q CB 0.838 29.081 28.738 -0.826 0.000 1.252 515 Q HN 0.411 nan 8.270 nan 0.000 0.448 516 T N -1.800 112.323 114.554 -0.718 0.000 2.726 516 T HA 0.177 4.565 4.350 0.063 0.000 0.294 516 T C -1.758 172.478 174.700 -0.773 0.000 1.013 516 T CA -1.249 60.401 62.100 -0.749 0.000 0.996 516 T CB 0.288 68.496 68.868 -1.099 0.000 1.016 516 T HN 0.231 nan 8.240 nan 0.000 0.529 517 P HA 0.024 nan 4.420 nan 0.000 0.218 517 P C 1.295 178.371 177.300 -0.375 0.000 1.149 517 P CA 0.818 63.683 63.100 -0.392 0.000 0.817 517 P CB -0.237 31.355 31.700 -0.179 0.000 0.785 518 F N -0.496 119.244 119.950 -0.350 0.000 2.367 518 F HA 0.094 4.658 4.527 0.063 0.000 0.298 518 F C 1.777 177.190 175.800 -0.644 0.000 1.094 518 F CA 0.660 58.391 58.000 -0.449 0.000 1.409 518 F CB -1.468 37.255 39.000 -0.461 0.000 1.064 518 F HN -0.114 nan 8.300 nan 0.000 0.528 519 E N 0.767 120.385 120.200 -0.969 0.000 2.072 519 E HA -0.205 4.183 4.350 0.063 0.000 0.191 519 E C 2.202 178.595 176.600 -0.344 0.000 0.985 519 E CA 1.442 57.487 56.400 -0.590 0.000 0.801 519 E CB -0.275 29.037 29.700 -0.647 0.000 0.750 519 E HN 0.616 nan 8.360 nan 0.000 0.452 520 Q N 0.392 119.902 119.800 -0.482 0.000 2.096 520 Q HA -0.203 4.174 4.340 0.063 0.000 0.204 520 Q C 2.309 178.327 176.000 0.030 0.000 0.982 520 Q CA 1.213 56.753 55.803 -0.439 0.000 0.850 520 Q CB -0.242 27.958 28.738 -0.897 0.000 0.901 520 Q HN 0.152 nan 8.270 nan 0.000 0.422 521 R N 0.321 120.814 120.500 -0.011 0.000 2.091 521 R HA -0.182 4.195 4.340 0.063 0.000 0.238 521 R C 1.769 178.245 176.300 0.294 0.000 1.136 521 R CA 1.683 57.876 56.100 0.155 0.000 0.959 521 R CB -0.186 30.190 30.300 0.127 0.000 0.856 521 R HN 0.510 nan 8.270 nan 0.000 0.437 522 H N -0.459 118.701 119.070 0.150 0.000 2.423 522 H HA -0.060 4.533 4.556 0.063 0.000 0.297 522 H C 2.208 177.651 175.328 0.192 0.000 1.075 522 H CA 1.213 57.366 56.048 0.174 0.000 1.342 522 H CB 0.074 29.944 29.762 0.181 0.000 1.395 522 H HN 0.224 nan 8.280 nan 0.000 0.530 523 I N 0.179 120.963 120.570 0.357 0.000 2.202 523 I HA -0.249 3.959 4.170 0.063 0.000 0.242 523 I C 2.290 178.704 176.117 0.494 0.000 1.091 523 I CA 0.720 62.267 61.300 0.410 0.000 1.368 523 I CB -0.109 38.223 38.000 0.552 0.000 1.058 523 I HN 0.076 nan 8.210 nan 0.000 0.410 524 V N 0.929 121.132 119.914 0.482 0.000 2.282 524 V HA -0.340 3.817 4.120 0.063 0.000 0.249 524 V C 2.023 178.299 176.094 0.302 0.000 1.057 524 V CA 2.164 64.691 62.300 0.379 0.000 1.032 524 V CB -0.685 31.317 31.823 0.300 0.000 0.645 524 V HN 0.428 nan 8.190 nan 0.000 0.447 525 D N 0.255 120.815 120.400 0.265 0.000 2.178 525 D HA -0.074 4.604 4.640 0.063 0.000 0.202 525 D C 2.156 178.544 176.300 0.146 0.000 0.974 525 D CA 1.437 55.561 54.000 0.206 0.000 0.841 525 D CB -0.540 40.381 40.800 0.202 0.000 0.953 525 D HN 0.481 nan 8.370 nan 0.000 0.478 526 G N 0.255 109.122 108.800 0.112 0.000 2.453 526 G HA2 -0.254 3.744 3.960 0.063 0.000 0.215 526 G HA3 -0.254 3.744 3.960 0.063 0.000 0.215 526 G C 1.454 176.362 174.900 0.013 0.000 1.201 526 G CA 0.230 45.307 45.100 -0.037 0.000 0.784 526 G HN 0.158 nan 8.290 nan 0.000 0.545 527 F N 1.836 121.835 119.950 0.081 0.000 2.091 527 F HA -0.128 4.437 4.527 0.063 0.000 0.299 527 F C 3.213 178.938 175.800 -0.125 0.000 1.103 527 F CA 1.718 59.699 58.000 -0.032 0.000 1.228 527 F CB -0.509 38.477 39.000 -0.025 0.000 0.984 527 F HN 0.089 nan 8.300 nan 0.000 0.477 528 S N -0.090 115.718 115.700 0.180 0.000 2.353 528 S HA -0.240 4.267 4.470 0.063 0.000 0.222 528 S C 1.891 176.520 174.600 0.048 0.000 1.035 528 S CA 1.478 59.726 58.200 0.081 0.000 1.025 528 S CB -0.888 62.382 63.200 0.117 0.000 0.902 528 S HN 0.401 nan 8.310 nan 0.000 0.440 529 F N 2.464 122.384 119.950 -0.051 0.000 2.102 529 F HA -0.137 4.428 4.527 0.062 0.000 0.298 529 F C 2.396 178.139 175.800 -0.096 0.000 1.105 529 F CA 1.568 59.528 58.000 -0.067 0.000 1.239 529 F CB -0.237 38.668 39.000 -0.158 0.000 0.991 529 F HN 0.157 nan 8.300 nan 0.000 0.474 530 E N 0.515 120.693 120.200 -0.037 0.000 2.051 530 E HA -0.212 4.176 4.350 0.063 0.000 0.192 530 E C 2.353 178.758 176.600 -0.325 0.000 0.991 530 E CA 1.658 57.999 56.400 -0.098 0.000 0.799 530 E CB -0.517 29.276 29.700 0.155 0.000 0.748 530 E HN 0.475 nan 8.360 nan 0.000 0.449 531 L N 0.976 121.925 121.223 -0.456 0.000 2.201 531 L HA -0.109 4.269 4.340 0.063 0.000 0.212 531 L C 2.396 179.100 176.870 -0.276 0.000 1.105 531 L CA 0.540 55.090 54.840 -0.485 0.000 0.775 531 L CB -0.187 41.599 42.059 -0.456 0.000 0.913 531 L HN 0.009 nan 8.230 nan 0.000 0.440 532 S N -0.451 115.106 115.700 -0.239 0.000 2.447 532 S HA -0.074 4.433 4.470 0.063 0.000 0.233 532 S C 1.666 176.153 174.600 -0.189 0.000 1.006 532 S CA 0.866 58.952 58.200 -0.190 0.000 0.957 532 S CB -0.045 63.049 63.200 -0.177 0.000 0.773 532 S HN 0.294 nan 8.310 nan 0.000 0.507 533 K N 1.203 121.465 120.400 -0.229 0.000 2.444 533 K HA 0.226 4.583 4.320 0.063 0.000 0.193 533 K C 0.073 176.665 176.600 -0.013 0.000 1.024 533 K CA 0.057 56.267 56.287 -0.129 0.000 1.077 533 K CB -0.213 32.204 32.500 -0.138 0.000 0.833 533 K HN 0.202 nan 8.250 nan 0.000 0.517 534 V N 2.084 121.971 119.914 -0.044 0.000 2.455 534 V HA 0.003 4.161 4.120 0.063 0.000 0.273 534 V C 1.781 177.864 176.094 -0.018 0.000 1.045 534 V CA -0.125 62.178 62.300 0.005 0.000 0.976 534 V CB 1.365 33.158 31.823 -0.049 0.000 0.993 534 V HN -0.135 nan 8.190 nan 0.000 0.475 535 V N 5.075 125.001 119.914 0.020 0.000 2.358 535 V HA -0.071 4.087 4.120 0.063 0.000 0.246 535 V C 1.348 177.432 176.094 -0.018 0.000 1.047 535 V CA 1.370 63.678 62.300 0.013 0.000 1.035 535 V CB -0.445 31.404 31.823 0.043 0.000 0.658 535 V HN 0.764 nan 8.190 nan 0.000 0.452 536 R N 0.940 121.405 120.500 -0.058 0.000 2.248 536 R HA 0.169 4.547 4.340 0.063 0.000 0.337 536 R C -1.680 174.508 176.300 -0.187 0.000 1.085 536 R CA -1.383 54.654 56.100 -0.104 0.000 0.934 536 R CB 0.587 30.755 30.300 -0.220 0.000 1.034 536 R HN 0.278 nan 8.270 nan 0.000 0.465 537 P HA -0.206 nan 4.420 nan 0.000 0.218 537 P C 0.738 178.003 177.300 -0.059 0.000 1.148 537 P CA 1.158 64.229 63.100 -0.047 0.000 0.822 537 P CB -0.025 31.683 31.700 0.013 0.000 0.784 538 Y N -1.328 118.973 120.300 0.001 0.000 2.333 538 Y HA -0.080 4.507 4.550 0.062 0.000 0.290 538 Y C 1.930 177.836 175.900 0.010 0.000 1.144 538 Y CA 0.688 58.790 58.100 0.002 0.000 1.228 538 Y CB -1.731 36.731 38.460 0.003 0.000 0.985 538 Y HN -0.109 nan 8.280 nan 0.000 0.542 539 I N 0.875 121.025 120.570 -0.700 0.000 2.202 539 I HA -0.235 3.972 4.170 0.063 0.000 0.242 539 I C 2.549 178.577 176.117 -0.150 0.000 1.091 539 I CA 1.284 62.344 61.300 -0.400 0.000 1.368 539 I CB -0.376 37.390 38.000 -0.390 0.000 1.058 539 I HN 0.157 nan 8.210 nan 0.000 0.410 540 R N 0.835 121.238 120.500 -0.162 0.000 2.096 540 R HA -0.228 4.150 4.340 0.063 0.000 0.240 540 R C 2.142 178.392 176.300 -0.084 0.000 1.139 540 R CA 1.761 57.780 56.100 -0.136 0.000 0.952 540 R CB -0.555 29.663 30.300 -0.136 0.000 0.854 540 R HN 0.454 nan 8.270 nan 0.000 0.436 541 E N 0.356 120.528 120.200 -0.046 0.000 2.085 541 E HA -0.178 4.210 4.350 0.063 0.000 0.194 541 E C 2.173 178.776 176.600 0.005 0.000 0.994 541 E CA 1.156 57.550 56.400 -0.012 0.000 0.801 541 E CB -0.018 29.700 29.700 0.030 0.000 0.743 541 E HN 0.291 nan 8.360 nan 0.000 0.453 542 R N 0.157 120.675 120.500 0.030 0.000 2.092 542 R HA -0.084 4.294 4.340 0.063 0.000 0.231 542 R C 2.403 178.725 176.300 0.037 0.000 1.119 542 R CA 0.937 57.068 56.100 0.050 0.000 0.970 542 R CB -0.230 30.120 30.300 0.084 0.000 0.864 542 R HN 0.049 nan 8.270 nan 0.000 0.440 543 V N 0.468 120.399 119.914 0.029 0.000 2.343 543 V HA -0.216 3.941 4.120 0.063 0.000 0.247 543 V C 2.292 178.365 176.094 -0.034 0.000 1.051 543 V CA 1.584 63.913 62.300 0.048 0.000 1.036 543 V CB -0.307 31.558 31.823 0.069 0.000 0.654 543 V HN 0.127 nan 8.190 nan 0.000 0.451 544 V N 0.507 120.373 119.914 -0.079 0.000 2.392 544 V HA -0.326 3.831 4.120 0.063 0.000 0.249 544 V C 2.283 178.333 176.094 -0.075 0.000 1.059 544 V CA 2.486 64.715 62.300 -0.119 0.000 1.051 544 V CB -0.727 31.034 31.823 -0.104 0.000 0.658 544 V HN 0.669 nan 8.190 nan 0.000 0.455 545 D N -0.907 119.483 120.400 -0.016 0.000 2.144 545 D HA -0.193 4.485 4.640 0.063 0.000 0.199 545 D C 2.274 178.648 176.300 0.124 0.000 0.984 545 D CA 1.061 55.084 54.000 0.038 0.000 0.834 545 D CB 0.005 40.844 40.800 0.064 0.000 0.955 545 D HN 0.318 nan 8.370 nan 0.000 0.465 546 Q N -0.118 119.725 119.800 0.073 0.000 2.084 546 Q HA -0.091 4.287 4.340 0.063 0.000 0.202 546 Q C 2.572 178.592 176.000 0.035 0.000 0.978 546 Q CA 0.722 56.575 55.803 0.084 0.000 0.844 546 Q CB -0.355 28.450 28.738 0.111 0.000 0.898 546 Q HN 0.458 nan 8.270 nan 0.000 0.426 547 L N 0.128 121.307 121.223 -0.073 0.000 2.127 547 L HA -0.158 4.219 4.340 0.063 0.000 0.211 547 L C 2.335 179.082 176.870 -0.206 0.000 1.089 547 L CA 1.052 55.771 54.840 -0.202 0.000 0.757 547 L CB -0.671 41.159 42.059 -0.382 0.000 0.899 547 L HN 0.101 nan 8.230 nan 0.000 0.434 548 A N -1.299 121.421 122.820 -0.167 0.000 2.121 548 A HA -0.175 4.182 4.320 0.063 0.000 0.218 548 A C 1.934 179.322 177.584 -0.328 0.000 1.154 548 A CA 0.971 52.874 52.037 -0.224 0.000 0.679 548 A CB -0.717 18.165 19.000 -0.197 0.000 0.795 548 A HN 0.467 nan 8.150 nan 0.000 0.458 549 H N -1.227 117.628 119.070 -0.359 0.000 2.548 549 H HA 0.144 4.738 4.556 0.063 0.000 0.268 549 H C 1.522 176.569 175.328 -0.468 0.000 0.975 549 H CA 1.088 56.786 56.048 -0.583 0.000 1.195 549 H CB 0.254 29.240 29.762 -1.293 0.000 1.397 549 H HN 0.516 nan 8.280 nan 0.000 0.572 550 I N -0.456 120.002 120.570 -0.188 0.000 2.899 550 I HA 0.029 4.236 4.170 0.063 0.000 0.257 550 I C -0.106 175.933 176.117 -0.129 0.000 1.115 550 I CA 0.479 61.740 61.300 -0.065 0.000 1.451 550 I CB 0.706 38.697 38.000 -0.014 0.000 1.251 550 I HN -0.015 nan 8.210 nan 0.000 0.456 551 D N -0.846 119.407 120.400 -0.245 0.000 2.726 551 D HA 0.195 4.873 4.640 0.063 0.000 0.203 551 D C 0.167 176.285 176.300 -0.303 0.000 1.297 551 D CA -0.342 53.484 54.000 -0.289 0.000 0.863 551 D CB 1.245 41.730 40.800 -0.524 0.000 1.669 551 D HN -0.220 nan 8.370 nan 0.000 0.561 552 L N 2.494 123.601 121.223 -0.194 0.000 2.156 552 L HA 0.021 4.399 4.340 0.063 0.000 0.208 552 L C 2.095 178.873 176.870 -0.154 0.000 1.095 552 L CA 1.574 56.314 54.840 -0.167 0.000 0.770 552 L CB -1.205 40.784 42.059 -0.116 0.000 0.914 552 L HN 0.613 nan 8.230 nan 0.000 0.439 553 T N 0.004 114.485 114.554 -0.121 0.000 2.777 553 T HA -0.157 4.231 4.350 0.063 0.000 0.266 553 T C 1.886 176.503 174.700 -0.138 0.000 1.040 553 T CA 1.216 63.290 62.100 -0.042 0.000 1.141 553 T CB -0.226 68.714 68.868 0.119 0.000 0.868 553 T HN 0.185 nan 8.240 nan 0.000 0.444 554 L N 1.802 122.761 121.223 -0.439 0.000 1.989 554 L HA 0.026 4.403 4.340 0.063 0.000 0.211 554 L C 2.594 179.223 176.870 -0.402 0.000 1.071 554 L CA 2.178 56.602 54.840 -0.693 0.000 0.749 554 L CB -1.163 40.053 42.059 -1.405 0.000 0.890 554 L HN 0.204 nan 8.230 nan 0.000 0.431 555 A N -1.101 121.497 122.820 -0.371 0.000 1.902 555 A HA -0.270 4.088 4.320 0.063 0.000 0.217 555 A C 2.252 179.727 177.584 -0.183 0.000 1.181 555 A CA 1.941 53.811 52.037 -0.279 0.000 0.623 555 A CB -0.702 18.153 19.000 -0.241 0.000 0.818 555 A HN 0.695 nan 8.150 nan 0.000 0.443 556 Q N -0.924 118.793 119.800 -0.139 0.000 2.124 556 Q HA -0.088 4.289 4.340 0.063 0.000 0.202 556 Q C 2.384 178.352 176.000 -0.054 0.000 0.977 556 Q CA 1.305 57.060 55.803 -0.081 0.000 0.850 556 Q CB -0.331 28.374 28.738 -0.055 0.000 0.901 556 Q HN 0.705 nan 8.270 nan 0.000 0.429 557 A N -0.051 122.741 122.820 -0.046 0.000 1.930 557 A HA -0.104 4.254 4.320 0.063 0.000 0.217 557 A C 2.247 179.830 177.584 -0.001 0.000 1.175 557 A CA 1.038 53.079 52.037 0.006 0.000 0.627 557 A CB -0.455 18.583 19.000 0.063 0.000 0.815 557 A HN 0.206 nan 8.150 nan 0.000 0.443 558 V N -0.074 119.809 119.914 -0.052 0.000 2.307 558 V HA -0.229 3.929 4.120 0.063 0.000 0.245 558 V C 3.061 179.120 176.094 -0.058 0.000 1.045 558 V CA 1.882 64.148 62.300 -0.057 0.000 1.024 558 V CB -1.246 30.483 31.823 -0.156 0.000 0.651 558 V HN 0.595 nan 8.190 nan 0.000 0.449 559 A N -0.273 122.502 122.820 -0.076 0.000 1.902 559 A HA -0.287 4.071 4.320 0.063 0.000 0.217 559 A C 2.336 179.900 177.584 -0.033 0.000 1.181 559 A CA 2.276 54.276 52.037 -0.062 0.000 0.623 559 A CB -0.541 18.420 19.000 -0.066 0.000 0.818 559 A HN 0.517 nan 8.150 nan 0.000 0.443 560 K N -0.373 120.015 120.400 -0.020 0.000 2.044 560 K HA -0.209 4.149 4.320 0.063 0.000 0.210 560 K C 1.525 178.129 176.600 0.007 0.000 1.049 560 K CA 1.743 58.029 56.287 -0.002 0.000 0.927 560 K CB -0.214 32.292 32.500 0.010 0.000 0.713 560 K HN 0.445 nan 8.250 nan 0.000 0.443 561 N N 0.559 119.267 118.700 0.013 0.000 2.453 561 N HA -0.096 4.681 4.740 0.063 0.000 0.183 561 N C 1.269 176.784 175.510 0.008 0.000 1.041 561 N CA 0.835 53.901 53.050 0.026 0.000 0.900 561 N CB 0.104 38.620 38.487 0.050 0.000 0.961 561 N HN 0.272 nan 8.380 nan 0.000 0.443 562 L N -0.920 120.295 121.223 -0.013 0.000 2.640 562 L HA 0.260 4.638 4.340 0.063 0.000 0.230 562 L C 1.024 177.881 176.870 -0.022 0.000 1.123 562 L CA -0.059 54.763 54.840 -0.029 0.000 0.900 562 L CB 0.010 42.035 42.059 -0.056 0.000 1.146 562 L HN 0.058 nan 8.230 nan 0.000 0.484 563 G N 1.490 110.283 108.800 -0.012 0.000 2.198 563 G HA2 -0.290 3.708 3.960 0.063 0.000 0.260 563 G HA3 -0.290 3.708 3.960 0.063 0.000 0.260 563 G C 0.074 174.967 174.900 -0.013 0.000 1.025 563 G CA 0.099 45.195 45.100 -0.008 0.000 0.769 563 G HN 0.318 nan 8.290 nan 0.000 0.507 564 I N 0.017 120.575 120.570 -0.021 0.000 2.437 564 I HA 0.438 4.646 4.170 0.063 0.000 0.298 564 I C 0.395 176.498 176.117 -0.024 0.000 0.984 564 I CA -0.647 60.639 61.300 -0.024 0.000 1.214 564 I CB 1.757 39.736 38.000 -0.035 0.000 1.365 564 I HN 0.177 nan 8.210 nan 0.000 0.469 565 E N 6.404 126.591 120.200 -0.021 0.000 2.158 565 E HA 0.413 4.800 4.350 0.063 0.000 0.271 565 E C -1.071 175.512 176.600 -0.028 0.000 0.911 565 E CA -0.747 55.640 56.400 -0.022 0.000 0.767 565 E CB 1.250 30.941 29.700 -0.015 0.000 1.120 565 E HN 0.480 nan 8.360 nan 0.000 0.405 566 L N 3.758 124.960 121.223 -0.037 0.000 2.453 566 L HA 0.098 4.475 4.340 0.063 0.000 0.272 566 L C 1.076 177.925 176.870 -0.035 0.000 1.182 566 L CA -0.123 54.691 54.840 -0.044 0.000 0.858 566 L CB 0.357 42.381 42.059 -0.059 0.000 1.120 566 L HN 0.682 nan 8.230 nan 0.000 0.474 567 T N -2.023 112.511 114.554 -0.033 0.000 2.813 567 T HA 0.029 4.417 4.350 0.063 0.000 0.297 567 T C 0.773 175.453 174.700 -0.034 0.000 1.036 567 T CA -0.745 61.338 62.100 -0.027 0.000 1.044 567 T CB 0.976 69.831 68.868 -0.022 0.000 0.993 567 T HN 0.510 nan 8.240 nan 0.000 0.535 568 D N 0.443 120.826 120.400 -0.028 0.000 2.144 568 D HA -0.066 4.611 4.640 0.063 0.000 0.199 568 D C 1.691 177.968 176.300 -0.038 0.000 0.984 568 D CA 1.091 55.072 54.000 -0.031 0.000 0.834 568 D CB -0.300 40.486 40.800 -0.023 0.000 0.955 568 D HN 0.606 nan 8.370 nan 0.000 0.465 569 D N 0.323 120.702 120.400 -0.036 0.000 2.144 569 D HA -0.118 4.560 4.640 0.063 0.000 0.199 569 D C 2.046 178.305 176.300 -0.068 0.000 0.984 569 D CA 0.729 54.704 54.000 -0.042 0.000 0.834 569 D CB -0.187 40.597 40.800 -0.028 0.000 0.955 569 D HN 0.331 nan 8.370 nan 0.000 0.465 570 Q N -0.291 119.466 119.800 -0.071 0.000 2.119 570 Q HA -0.010 4.367 4.340 0.063 0.000 0.201 570 Q C 2.304 178.229 176.000 -0.124 0.000 0.972 570 Q CA 0.551 56.289 55.803 -0.107 0.000 0.847 570 Q CB 0.014 28.702 28.738 -0.084 0.000 0.903 570 Q HN 0.311 nan 8.270 nan 0.000 0.433 571 L N 0.798 121.967 121.223 -0.089 0.000 2.376 571 L HA -0.112 4.266 4.340 0.063 0.000 0.219 571 L C 1.092 177.912 176.870 -0.083 0.000 1.133 571 L CA 0.409 55.199 54.840 -0.083 0.000 0.816 571 L CB -0.105 41.919 42.059 -0.058 0.000 0.933 571 L HN 0.201 nan 8.230 nan 0.000 0.449 572 N N 0.102 118.752 118.700 -0.083 0.000 2.268 572 N HA 0.194 4.971 4.740 0.063 0.000 0.204 572 N C 0.321 175.770 175.510 -0.102 0.000 1.124 572 N CA 0.122 53.127 53.050 -0.076 0.000 0.838 572 N CB 0.335 38.790 38.487 -0.053 0.000 0.994 572 N HN 0.255 nan 8.380 nan 0.000 0.489 573 I N 1.744 122.218 120.570 -0.159 0.000 2.587 573 I HA -0.056 4.151 4.170 0.063 0.000 0.284 573 I C 0.452 176.470 176.117 -0.165 0.000 1.134 573 I CA 0.340 61.507 61.300 -0.222 0.000 1.410 573 I CB 0.187 37.917 38.000 -0.450 0.000 1.392 573 I HN -0.149 nan 8.210 nan 0.000 0.545 574 T N 8.230 122.717 114.554 -0.112 0.000 2.888 574 T HA 0.164 4.552 4.350 0.063 0.000 0.301 574 T C -1.978 172.681 174.700 -0.068 0.000 1.001 574 T CA -0.856 61.205 62.100 -0.065 0.000 1.147 574 T CB 0.118 68.970 68.868 -0.026 0.000 0.931 574 T HN 0.410 nan 8.240 nan 0.000 0.541 575 P HA 0.243 nan 4.420 nan 0.000 0.272 575 P C -2.390 174.922 177.300 0.021 0.000 1.223 575 P CA -1.471 61.611 63.100 -0.030 0.000 0.784 575 P CB -0.382 31.311 31.700 -0.012 0.000 0.923 576 P HA 0.274 nan 4.420 nan 0.000 0.274 576 P C -2.555 174.799 177.300 0.091 0.000 1.246 576 P CA -1.502 61.665 63.100 0.113 0.000 0.795 576 P CB -0.958 30.859 31.700 0.195 0.000 1.006 577 P HA 0.105 nan 4.420 nan 0.000 0.272 577 P C -0.198 177.152 177.300 0.083 0.000 1.223 577 P CA 0.161 63.308 63.100 0.079 0.000 0.784 577 P CB 0.118 31.867 31.700 0.082 0.000 0.923 578 D N 0.225 120.666 120.400 0.068 0.000 2.406 578 D HA -0.018 4.659 4.640 0.063 0.000 0.234 578 D C -0.066 176.283 176.300 0.081 0.000 1.196 578 D CA 0.352 54.390 54.000 0.063 0.000 0.881 578 D CB 0.307 41.139 40.800 0.053 0.000 1.205 578 D HN -0.029 nan 8.370 nan 0.000 0.453 579 V N 2.995 122.947 119.914 0.064 0.000 2.353 579 V HA 0.037 4.194 4.120 0.063 0.000 0.264 579 V C 0.360 176.542 176.094 0.145 0.000 1.049 579 V CA -0.394 61.969 62.300 0.104 0.000 0.896 579 V CB -0.397 31.396 31.823 -0.049 0.000 1.025 579 V HN 0.608 nan 8.190 nan 0.000 0.475 580 N N 4.488 123.293 118.700 0.175 0.000 2.714 580 N HA -0.230 4.548 4.740 0.063 0.000 0.252 580 N C 1.157 176.727 175.510 0.099 0.000 1.014 580 N CA 1.020 54.158 53.050 0.147 0.000 0.735 580 N CB -0.886 37.726 38.487 0.208 0.000 0.924 580 N HN 1.266 nan 8.380 nan 0.000 0.540 581 G N -2.003 106.843 108.800 0.077 0.000 2.179 581 G HA2 -0.327 3.671 3.960 0.063 0.000 0.260 581 G HA3 -0.327 3.671 3.960 0.063 0.000 0.260 581 G C 0.102 175.031 174.900 0.048 0.000 0.977 581 G CA 0.321 45.454 45.100 0.054 0.000 0.641 581 G HN 0.403 nan 8.290 nan 0.000 0.533 582 L N 0.362 121.617 121.223 0.052 0.000 2.305 582 L HA 0.392 4.769 4.340 0.063 0.000 0.281 582 L C 1.548 178.432 176.870 0.023 0.000 1.085 582 L CA -0.455 54.407 54.840 0.036 0.000 0.813 582 L CB 1.111 43.191 42.059 0.035 0.000 1.157 582 L HN 0.011 nan 8.230 nan 0.000 0.436 583 K N 2.940 123.348 120.400 0.013 0.000 2.367 583 K HA 0.107 4.464 4.320 0.063 0.000 0.194 583 K C -0.221 176.371 176.600 -0.013 0.000 1.027 583 K CA 0.243 56.534 56.287 0.007 0.000 1.075 583 K CB 0.432 32.935 32.500 0.005 0.000 0.845 583 K HN 0.594 nan 8.250 nan 0.000 0.529 584 K N -0.157 120.232 120.400 -0.019 0.000 2.703 584 K HA 0.185 4.543 4.320 0.063 0.000 0.285 584 K C -2.270 174.311 176.600 -0.033 0.000 1.014 584 K CA -0.880 55.379 56.287 -0.046 0.000 0.858 584 K CB 1.319 33.773 32.500 -0.076 0.000 1.467 584 K HN -0.242 nan 8.250 nan 0.000 0.383 585 D N 2.055 122.428 120.400 -0.045 0.000 2.616 585 D HA 0.318 4.995 4.640 0.063 0.000 0.238 585 D C -2.203 174.077 176.300 -0.033 0.000 1.354 585 D CA -2.012 51.980 54.000 -0.013 0.000 0.970 585 D CB 2.266 43.080 40.800 0.023 0.000 1.369 585 D HN 0.282 nan 8.370 nan 0.000 0.585 586 P HA -0.038 nan 4.420 nan 0.000 0.233 586 P C 1.226 178.515 177.300 -0.018 0.000 1.167 586 P CA 0.563 63.630 63.100 -0.055 0.000 0.770 586 P CB 0.157 31.835 31.700 -0.037 0.000 0.837 587 S N -0.797 114.926 115.700 0.038 0.000 2.507 587 S HA -0.051 4.457 4.470 0.063 0.000 0.235 587 S C 1.641 176.321 174.600 0.133 0.000 0.988 587 S CA 0.722 58.981 58.200 0.098 0.000 0.944 587 S CB -1.394 61.892 63.200 0.144 0.000 0.762 587 S HN 0.147 nan 8.310 nan 0.000 0.526 588 L N 1.270 122.532 121.223 0.064 0.000 2.492 588 L HA 0.205 4.582 4.340 0.063 0.000 0.223 588 L C 1.407 178.175 176.870 -0.170 0.000 1.132 588 L CA 0.122 54.993 54.840 0.051 0.000 0.850 588 L CB -0.260 41.806 42.059 0.012 0.000 0.966 588 L HN 0.341 nan 8.230 nan 0.000 0.454 589 S N -0.467 115.117 115.700 -0.194 0.000 2.585 589 S HA 0.323 4.831 4.470 0.063 0.000 0.277 589 S C 1.055 175.533 174.600 -0.204 0.000 1.241 589 S CA -0.667 57.357 58.200 -0.293 0.000 1.041 589 S CB 1.470 64.492 63.200 -0.297 0.000 0.987 589 S HN 0.164 nan 8.310 nan 0.000 0.512 590 L N 3.007 124.026 121.223 -0.339 0.000 2.156 590 L HA 0.004 4.381 4.340 0.063 0.000 0.208 590 L C 0.883 177.457 176.870 -0.494 0.000 1.095 590 L CA 1.184 55.714 54.840 -0.516 0.000 0.770 590 L CB -0.297 41.080 42.059 -1.137 0.000 0.914 590 L HN 0.772 nan 8.230 nan 0.000 0.439 591 Y N -2.315 117.977 120.300 -0.013 0.000 2.432 591 Y HA 0.335 4.923 4.550 0.063 0.000 0.252 591 Y C 2.161 178.073 175.900 0.020 0.000 1.097 591 Y CA -0.093 58.047 58.100 0.067 0.000 1.250 591 Y CB -0.439 38.105 38.460 0.139 0.000 1.245 591 Y HN -0.047 nan 8.280 nan 0.000 0.522 592 A N 0.621 123.458 122.820 0.027 0.000 1.940 592 A HA -0.087 4.271 4.320 0.063 0.000 0.219 592 A C 0.939 178.556 177.584 0.055 0.000 1.176 592 A CA 1.210 53.243 52.037 -0.007 0.000 0.631 592 A CB -0.518 18.427 19.000 -0.092 0.000 0.814 592 A HN 0.170 nan 8.150 nan 0.000 0.446 593 I N 1.213 121.822 120.570 0.065 0.000 2.328 593 I HA 0.261 4.469 4.170 0.063 0.000 0.287 593 I C -2.518 173.669 176.117 0.116 0.000 1.012 593 I CA -2.692 58.654 61.300 0.076 0.000 1.195 593 I CB 0.524 38.560 38.000 0.059 0.000 1.350 593 I HN 0.027 nan 8.210 nan 0.000 0.464 594 P HA 0.052 nan 4.420 nan 0.000 0.263 594 P C -0.046 177.327 177.300 0.120 0.000 1.175 594 P CA 0.390 63.579 63.100 0.149 0.000 0.761 594 P CB 0.587 32.361 31.700 0.123 0.000 0.794 595 D N 0.492 120.972 120.400 0.132 0.000 2.783 595 D HA 0.087 4.764 4.640 0.063 0.000 0.306 595 D C 0.442 176.801 176.300 0.099 0.000 1.633 595 D CA -0.397 53.664 54.000 0.102 0.000 0.796 595 D CB -0.550 40.307 40.800 0.096 0.000 1.230 595 D HN 0.351 nan 8.370 nan 0.000 0.441 596 G N 0.264 109.132 108.800 0.113 0.000 2.554 596 G HA2 0.359 4.356 3.960 0.063 0.000 0.238 596 G HA3 0.359 4.356 3.960 0.063 0.000 0.238 596 G C -0.685 174.252 174.900 0.061 0.000 1.259 596 G CA 0.005 45.164 45.100 0.099 0.000 0.843 596 G HN 0.208 nan 8.290 nan 0.000 0.582 597 D N 0.088 120.515 120.400 0.045 0.000 2.736 597 D HA 0.217 4.895 4.640 0.063 0.000 0.243 597 D C 0.872 177.182 176.300 0.016 0.000 1.304 597 D CA -0.464 53.550 54.000 0.022 0.000 0.934 597 D CB 1.724 42.531 40.800 0.011 0.000 1.382 597 D HN 0.353 nan 8.370 nan 0.000 0.571 598 V N 1.836 121.753 119.914 0.006 0.000 3.306 598 V HA 0.206 4.364 4.120 0.063 0.000 0.264 598 V C 1.075 177.149 176.094 -0.033 0.000 1.149 598 V CA 0.213 62.511 62.300 -0.003 0.000 1.143 598 V CB -0.848 30.969 31.823 -0.010 0.000 0.767 598 V HN 0.473 nan 8.190 nan 0.000 0.476 599 K N 1.464 121.838 120.400 -0.044 0.000 2.466 599 K HA 0.312 4.670 4.320 0.063 0.000 0.278 599 K C 1.247 177.802 176.600 -0.075 0.000 1.048 599 K CA 1.112 57.352 56.287 -0.079 0.000 1.088 599 K CB -0.188 32.272 32.500 -0.067 0.000 0.884 599 K HN 0.783 nan 8.250 nan 0.000 0.478 600 G N 3.313 112.029 108.800 -0.140 0.000 2.176 600 G HA2 -0.209 3.789 3.960 0.063 0.000 0.232 600 G HA3 -0.209 3.789 3.960 0.063 0.000 0.232 600 G C 0.098 175.031 174.900 0.055 0.000 0.986 600 G CA -0.262 44.821 45.100 -0.028 0.000 0.643 600 G HN 0.564 nan 8.290 nan 0.000 0.522 601 R N -0.290 120.212 120.500 0.004 0.000 2.652 601 R HA 0.703 5.080 4.340 0.063 0.000 0.271 601 R C 0.024 176.379 176.300 0.093 0.000 1.129 601 R CA -0.098 56.042 56.100 0.066 0.000 1.200 601 R CB 0.881 31.213 30.300 0.054 0.000 1.146 601 R HN 0.638 nan 8.270 nan 0.000 0.581 602 V N 0.340 120.328 119.914 0.123 0.000 2.841 602 V HA 0.421 4.579 4.120 0.063 0.000 0.310 602 V C -1.105 175.056 176.094 0.111 0.000 1.090 602 V CA -0.741 61.648 62.300 0.148 0.000 0.930 602 V CB 2.456 34.392 31.823 0.188 0.000 1.014 602 V HN 0.350 nan 8.190 nan 0.000 0.425 603 V N 5.620 125.594 119.914 0.099 0.000 2.555 603 V HA 0.794 4.951 4.120 0.063 0.000 0.302 603 V C 0.495 176.644 176.094 0.091 0.000 1.038 603 V CA -0.188 62.159 62.300 0.078 0.000 0.887 603 V CB 1.770 33.623 31.823 0.051 0.000 0.991 603 V HN 1.171 nan 8.190 nan 0.000 0.434 604 A N 6.043 128.923 122.820 0.099 0.000 2.366 604 A HA 0.743 5.101 4.320 0.063 0.000 0.272 604 A C -0.436 177.154 177.584 0.011 0.000 1.135 604 A CA -0.184 51.896 52.037 0.072 0.000 0.804 604 A CB 0.027 19.097 19.000 0.116 0.000 1.064 604 A HN 0.756 nan 8.150 nan 0.000 0.499 605 I N 3.396 123.969 120.570 0.006 0.000 2.355 605 I HA 0.210 4.417 4.170 0.063 0.000 0.288 605 I C -0.583 175.536 176.117 0.003 0.000 0.999 605 I CA -0.240 61.064 61.300 0.006 0.000 1.163 605 I CB 1.444 39.462 38.000 0.030 0.000 1.316 605 I HN 0.492 nan 8.210 nan 0.000 0.454 606 L N 7.250 128.460 121.223 -0.022 0.000 2.283 606 L HA 0.406 4.784 4.340 0.063 0.000 0.287 606 L C 0.075 177.046 176.870 0.169 0.000 1.073 606 L CA -0.339 54.547 54.840 0.075 0.000 0.822 606 L CB 0.353 42.304 42.059 -0.179 0.000 1.186 606 L HN 0.443 nan 8.230 nan 0.000 0.436 607 L N 3.545 124.925 121.223 0.262 0.000 2.468 607 L HA 0.311 4.689 4.340 0.063 0.000 0.254 607 L C 0.115 177.176 176.870 0.319 0.000 1.171 607 L CA -0.396 54.550 54.840 0.176 0.000 0.809 607 L CB 1.026 43.089 42.059 0.007 0.000 1.155 607 L HN 0.709 nan 8.230 nan 0.000 0.473 608 N N -2.215 116.569 118.700 0.141 0.000 2.629 608 N HA 0.214 4.991 4.740 0.063 0.000 0.279 608 N C -0.390 175.092 175.510 -0.047 0.000 1.344 608 N CA -0.757 52.417 53.050 0.208 0.000 0.789 608 N CB 0.717 39.319 38.487 0.191 0.000 1.508 608 N HN 0.519 nan 8.380 nan 0.000 0.516 609 D N -1.940 118.477 120.400 0.028 0.000 2.363 609 D HA -0.027 4.651 4.640 0.063 0.000 0.226 609 D C -0.193 176.073 176.300 -0.057 0.000 1.020 609 D CA 0.707 54.660 54.000 -0.079 0.000 0.892 609 D CB -0.023 40.806 40.800 0.048 0.000 0.900 609 D HN 0.692 nan 8.370 nan 0.000 0.531 610 E N 0.312 120.496 120.200 -0.027 0.000 3.909 610 E HA 0.221 4.609 4.350 0.063 0.000 0.236 610 E C -1.232 175.355 176.600 -0.021 0.000 1.222 610 E CA -0.466 55.920 56.400 -0.024 0.000 1.205 610 E CB 0.474 30.171 29.700 -0.006 0.000 1.249 610 E HN -0.101 nan 8.360 nan 0.000 0.411 611 V N 1.813 121.705 119.914 -0.036 0.000 2.763 611 V HA 0.055 4.213 4.120 0.063 0.000 0.306 611 V C 0.923 177.002 176.094 -0.025 0.000 1.059 611 V CA 0.264 62.549 62.300 -0.026 0.000 1.138 611 V CB 0.838 32.639 31.823 -0.036 0.000 0.940 611 V HN 0.452 nan 8.190 nan 0.000 0.489 612 R N 3.055 123.542 120.500 -0.023 0.000 2.309 612 R HA 0.070 4.447 4.340 0.063 0.000 0.331 612 R C 1.576 177.857 176.300 -0.032 0.000 1.116 612 R CA 0.456 56.539 56.100 -0.029 0.000 0.970 612 R CB 0.395 30.673 30.300 -0.036 0.000 1.024 612 R HN 1.012 nan 8.270 nan 0.000 0.472 613 S N 2.817 118.499 115.700 -0.029 0.000 2.440 613 S HA -0.201 4.307 4.470 0.063 0.000 0.238 613 S C 1.823 176.407 174.600 -0.027 0.000 1.010 613 S CA 0.962 59.146 58.200 -0.027 0.000 0.972 613 S CB 0.034 63.220 63.200 -0.024 0.000 0.774 613 S HN 0.660 nan 8.310 nan 0.000 0.501 614 A N 2.296 125.097 122.820 -0.032 0.000 1.854 614 A HA -0.041 4.316 4.320 0.063 0.000 0.214 614 A C 1.969 179.525 177.584 -0.046 0.000 1.192 614 A CA 1.436 53.452 52.037 -0.035 0.000 0.611 614 A CB -1.073 17.905 19.000 -0.037 0.000 0.832 614 A HN 0.434 nan 8.150 nan 0.000 0.442 615 D N -0.398 119.964 120.400 -0.063 0.000 2.160 615 D HA -0.198 4.479 4.640 0.063 0.000 0.189 615 D C 1.785 178.055 176.300 -0.050 0.000 1.003 615 D CA 1.705 55.653 54.000 -0.087 0.000 0.846 615 D CB -0.399 40.340 40.800 -0.101 0.000 0.949 615 D HN 0.294 nan 8.370 nan 0.000 0.446 616 L N -0.067 121.137 121.223 -0.032 0.000 2.056 616 L HA -0.071 4.307 4.340 0.063 0.000 0.207 616 L C 2.131 178.998 176.870 -0.004 0.000 1.078 616 L CA 1.109 55.941 54.840 -0.013 0.000 0.749 616 L CB -0.629 41.422 42.059 -0.013 0.000 0.901 616 L HN 0.020 nan 8.230 nan 0.000 0.433 617 L N -0.189 121.028 121.223 -0.010 0.000 1.990 617 L HA -0.225 4.153 4.340 0.063 0.000 0.213 617 L C 2.599 179.469 176.870 0.001 0.000 1.072 617 L CA 2.282 57.120 54.840 -0.005 0.000 0.755 617 L CB -1.282 40.772 42.059 -0.010 0.000 0.889 617 L HN 0.355 nan 8.230 nan 0.000 0.432 618 A N -1.021 121.797 122.820 -0.004 0.000 1.898 618 A HA -0.144 4.214 4.320 0.063 0.000 0.216 618 A C 2.289 179.887 177.584 0.024 0.000 1.181 618 A CA 1.665 53.704 52.037 0.004 0.000 0.620 618 A CB -0.701 18.294 19.000 -0.009 0.000 0.819 618 A HN 0.422 nan 8.150 nan 0.000 0.442 619 I N -0.173 120.414 120.570 0.028 0.000 2.127 619 I HA -0.292 3.915 4.170 0.063 0.000 0.241 619 I C 2.368 178.512 176.117 0.046 0.000 1.075 619 I CA 1.402 62.739 61.300 0.062 0.000 1.334 619 I CB -0.356 37.685 38.000 0.068 0.000 1.040 619 I HN 0.290 nan 8.210 nan 0.000 0.405 620 L N 0.186 121.428 121.223 0.031 0.000 2.093 620 L HA -0.200 4.177 4.340 0.063 0.000 0.208 620 L C 2.555 179.438 176.870 0.021 0.000 1.085 620 L CA 1.178 56.034 54.840 0.027 0.000 0.755 620 L CB -0.560 41.513 42.059 0.023 0.000 0.904 620 L HN 0.188 nan 8.230 nan 0.000 0.435 621 K N 0.496 120.906 120.400 0.017 0.000 2.032 621 K HA -0.183 4.174 4.320 0.063 0.000 0.209 621 K C 2.178 178.786 176.600 0.013 0.000 1.048 621 K CA 1.543 57.838 56.287 0.013 0.000 0.927 621 K CB -0.167 32.339 32.500 0.011 0.000 0.712 621 K HN 0.263 nan 8.250 nan 0.000 0.441 622 A N 0.846 123.679 122.820 0.022 0.000 1.902 622 A HA -0.129 4.229 4.320 0.063 0.000 0.217 622 A C 2.108 179.697 177.584 0.008 0.000 1.181 622 A CA 1.404 53.453 52.037 0.021 0.000 0.623 622 A CB -0.709 18.315 19.000 0.040 0.000 0.818 622 A HN 0.299 nan 8.150 nan 0.000 0.443 623 L N -0.474 120.755 121.223 0.011 0.000 2.012 623 L HA -0.247 4.130 4.340 0.063 0.000 0.210 623 L C 2.699 179.551 176.870 -0.029 0.000 1.073 623 L CA 2.118 56.954 54.840 -0.008 0.000 0.748 623 L CB -0.561 41.501 42.059 0.006 0.000 0.891 623 L HN 0.487 nan 8.230 nan 0.000 0.431 624 K N 0.549 120.941 120.400 -0.014 0.000 2.057 624 K HA -0.187 4.171 4.320 0.063 0.000 0.207 624 K C 2.119 178.703 176.600 -0.027 0.000 1.049 624 K CA 1.358 57.634 56.287 -0.018 0.000 0.931 624 K CB -0.069 32.431 32.500 0.001 0.000 0.714 624 K HN 0.270 nan 8.250 nan 0.000 0.440 625 A N 1.356 124.166 122.820 -0.017 0.000 2.024 625 A HA -0.127 4.231 4.320 0.063 0.000 0.220 625 A C 1.596 179.164 177.584 -0.027 0.000 1.164 625 A CA 1.424 53.451 52.037 -0.016 0.000 0.643 625 A CB -0.107 18.889 19.000 -0.007 0.000 0.806 625 A HN 0.225 nan 8.150 nan 0.000 0.451 626 K N -1.635 118.742 120.400 -0.037 0.000 2.373 626 K HA 0.235 4.592 4.320 0.063 0.000 0.202 626 K C 0.829 177.380 176.600 -0.080 0.000 1.025 626 K CA 0.575 56.834 56.287 -0.046 0.000 1.115 626 K CB 0.323 32.801 32.500 -0.036 0.000 0.858 626 K HN 0.686 nan 8.250 nan 0.000 0.525 627 G N 1.807 110.544 108.800 -0.106 0.000 2.176 627 G HA2 -0.228 3.769 3.960 0.063 0.000 0.252 627 G HA3 -0.228 3.769 3.960 0.063 0.000 0.252 627 G C 0.050 174.752 174.900 -0.329 0.000 1.024 627 G CA 0.114 45.103 45.100 -0.185 0.000 0.755 627 G HN 0.117 nan 8.290 nan 0.000 0.507 628 V N 2.477 122.245 119.914 -0.243 0.000 2.465 628 V HA 0.437 4.595 4.120 0.063 0.000 0.279 628 V C 0.794 176.739 176.094 -0.249 0.000 1.045 628 V CA -1.067 61.088 62.300 -0.242 0.000 0.938 628 V CB 1.153 32.921 31.823 -0.093 0.000 0.986 628 V HN 0.374 nan 8.190 nan 0.000 0.467 629 H N 2.528 121.611 119.070 0.021 0.000 2.508 629 H HA 0.757 5.350 4.556 0.063 0.000 0.358 629 H C 0.141 175.489 175.328 0.034 0.000 1.212 629 H CA -0.184 55.879 56.048 0.025 0.000 1.356 629 H CB 1.722 31.501 29.762 0.028 0.000 1.525 629 H HN 0.752 nan 8.280 nan 0.000 0.578 630 A N 1.233 124.159 122.820 0.177 0.000 2.401 630 A HA 0.538 4.896 4.320 0.063 0.000 0.310 630 A C -0.685 176.956 177.584 0.095 0.000 1.075 630 A CA -0.932 51.171 52.037 0.109 0.000 0.746 630 A CB 1.357 20.403 19.000 0.077 0.000 1.277 630 A HN 0.740 nan 8.150 nan 0.000 0.425 631 K N 2.223 122.673 120.400 0.083 0.000 2.376 631 K HA 0.703 5.060 4.320 0.063 0.000 0.257 631 K C -1.549 175.080 176.600 0.049 0.000 0.939 631 K CA -0.501 55.826 56.287 0.067 0.000 0.809 631 K CB 1.464 34.015 32.500 0.084 0.000 1.121 631 K HN 0.506 nan 8.250 nan 0.000 0.425 632 L N 4.990 126.233 121.223 0.033 0.000 2.265 632 L HA 0.413 4.791 4.340 0.063 0.000 0.288 632 L C -0.478 176.401 176.870 0.015 0.000 1.058 632 L CA -0.830 54.022 54.840 0.021 0.000 0.809 632 L CB 0.436 42.498 42.059 0.005 0.000 1.179 632 L HN 0.527 nan 8.230 nan 0.000 0.429 633 L N 3.553 124.791 121.223 0.026 0.000 2.342 633 L HA 0.600 4.978 4.340 0.063 0.000 0.271 633 L C -0.911 175.912 176.870 -0.078 0.000 1.008 633 L CA -0.746 54.077 54.840 -0.028 0.000 0.818 633 L CB 2.096 44.173 42.059 0.031 0.000 1.296 633 L HN 0.414 nan 8.230 nan 0.000 0.427 634 Y N -0.351 119.559 120.300 -0.650 0.000 2.896 634 Y HA 0.210 4.798 4.550 0.063 0.000 0.317 634 Y C 0.803 175.886 175.900 -1.363 0.000 1.444 634 Y CA -0.745 56.836 58.100 -0.865 0.000 1.084 634 Y CB 1.682 39.949 38.460 -0.323 0.000 1.382 634 Y HN 0.546 nan 8.280 nan 0.000 0.471 635 S N 0.535 115.320 115.700 -1.526 0.000 2.593 635 S HA 0.273 4.781 4.470 0.063 0.000 0.217 635 S C -0.024 174.298 174.600 -0.464 0.000 0.966 635 S CA 0.200 57.863 58.200 -0.895 0.000 0.914 635 S CB -0.232 62.596 63.200 -0.621 0.000 0.776 635 S HN 0.598 nan 8.310 nan 0.000 0.523 636 R N -1.187 119.124 120.500 -0.315 0.000 2.795 636 R HA 0.658 5.036 4.340 0.063 0.000 0.268 636 R C -0.719 175.574 176.300 -0.012 0.000 1.041 636 R CA -1.116 54.925 56.100 -0.097 0.000 0.927 636 R CB 0.502 30.787 30.300 -0.025 0.000 1.235 636 R HN -0.069 nan 8.270 nan 0.000 0.463 637 M N -0.002 119.595 119.600 -0.005 0.000 2.154 637 M HA 0.546 5.064 4.480 0.063 0.000 0.251 637 M C 0.952 177.267 176.300 0.024 0.000 1.200 637 M CA 0.764 56.067 55.300 0.006 0.000 0.967 637 M CB 0.580 33.177 32.600 -0.006 0.000 1.362 637 M HN 1.049 nan 8.290 nan 0.000 0.522 638 G N 0.750 109.555 108.800 0.009 0.000 2.715 638 G HA2 -0.122 3.876 3.960 0.063 0.000 0.221 638 G HA3 -0.122 3.876 3.960 0.063 0.000 0.221 638 G C -0.925 173.968 174.900 -0.013 0.000 1.204 638 G CA -0.437 44.665 45.100 0.003 0.000 1.063 638 G HN 0.627 nan 8.290 nan 0.000 0.586 639 E N -1.109 119.075 120.200 -0.026 0.000 2.416 639 E HA 0.633 5.021 4.350 0.063 0.000 0.273 639 E C -0.475 176.060 176.600 -0.108 0.000 0.935 639 E CA -0.527 55.836 56.400 -0.060 0.000 0.784 639 E CB 2.944 32.616 29.700 -0.046 0.000 1.301 639 E HN 1.283 nan 8.360 nan 0.000 0.454 640 V N -2.124 117.691 119.914 -0.166 0.000 3.001 640 V HA 0.743 4.900 4.120 0.063 0.000 0.314 640 V C -0.547 175.465 176.094 -0.136 0.000 1.099 640 V CA -0.686 61.486 62.300 -0.214 0.000 0.989 640 V CB 1.940 33.510 31.823 -0.422 0.000 1.040 640 V HN 0.646 nan 8.190 nan 0.000 0.434 641 T N 2.397 116.887 114.554 -0.108 0.000 2.797 641 T HA 0.790 5.177 4.350 0.063 0.000 0.279 641 T C 0.292 174.950 174.700 -0.069 0.000 0.991 641 T CA 0.248 62.305 62.100 -0.072 0.000 0.979 641 T CB 1.379 70.218 68.868 -0.048 0.000 0.943 641 T HN 1.349 nan 8.240 nan 0.000 0.444 642 A N 2.259 125.045 122.820 -0.057 0.000 2.280 642 A HA 0.383 4.740 4.320 0.063 0.000 0.268 642 A C 1.601 179.164 177.584 -0.035 0.000 1.111 642 A CA -0.384 51.624 52.037 -0.048 0.000 0.814 642 A CB 0.055 19.031 19.000 -0.041 0.000 1.093 642 A HN 0.911 nan 8.150 nan 0.000 0.498 643 D N -0.125 120.258 120.400 -0.029 0.000 2.228 643 D HA -0.208 4.470 4.640 0.063 0.000 0.203 643 D C 0.488 176.776 176.300 -0.021 0.000 0.988 643 D CA 1.721 55.707 54.000 -0.023 0.000 0.864 643 D CB -0.268 40.520 40.800 -0.021 0.000 0.928 643 D HN 0.593 nan 8.370 nan 0.000 0.469 644 D N -2.032 118.355 120.400 -0.022 0.000 2.402 644 D HA 0.246 4.923 4.640 0.063 0.000 0.216 644 D C 1.579 177.868 176.300 -0.018 0.000 1.128 644 D CA 0.227 54.216 54.000 -0.018 0.000 0.833 644 D CB 0.023 40.812 40.800 -0.018 0.000 0.971 644 D HN 0.341 nan 8.370 nan 0.000 0.503 645 G N -0.075 108.713 108.800 -0.021 0.000 2.175 645 G HA2 -0.269 3.729 3.960 0.063 0.000 0.244 645 G HA3 -0.269 3.729 3.960 0.063 0.000 0.244 645 G C 0.427 175.313 174.900 -0.023 0.000 0.982 645 G CA 0.208 45.295 45.100 -0.021 0.000 0.641 645 G HN 0.421 nan 8.290 nan 0.000 0.527 646 T N 1.395 115.934 114.554 -0.025 0.000 2.867 646 T HA 0.392 4.780 4.350 0.063 0.000 0.297 646 T C 0.712 175.392 174.700 -0.033 0.000 0.989 646 T CA 0.200 62.284 62.100 -0.025 0.000 1.159 646 T CB 1.841 70.694 68.868 -0.025 0.000 0.928 646 T HN 0.439 nan 8.240 nan 0.000 0.538 647 V N 6.196 126.092 119.914 -0.030 0.000 2.432 647 V HA 0.269 4.426 4.120 0.063 0.000 0.271 647 V C 0.272 176.341 176.094 -0.041 0.000 1.046 647 V CA -0.472 61.805 62.300 -0.038 0.000 0.945 647 V CB 0.546 32.351 31.823 -0.030 0.000 0.992 647 V HN 0.667 nan 8.190 nan 0.000 0.471 648 L N 8.410 129.598 121.223 -0.058 0.000 2.280 648 L HA 0.464 4.842 4.340 0.063 0.000 0.287 648 L C -2.344 174.491 176.870 -0.059 0.000 1.023 648 L CA -1.794 53.011 54.840 -0.057 0.000 0.819 648 L CB 1.721 43.735 42.059 -0.074 0.000 1.212 648 L HN 0.429 nan 8.230 nan 0.000 0.420 649 P HA 0.264 nan 4.420 nan 0.000 0.279 649 P C -0.552 176.731 177.300 -0.029 0.000 1.239 649 P CA -0.163 62.919 63.100 -0.030 0.000 0.789 649 P CB 0.974 32.664 31.700 -0.016 0.000 0.933 650 I N 2.012 122.566 120.570 -0.026 0.000 2.325 650 I HA 0.231 4.439 4.170 0.063 0.000 0.291 650 I C 1.551 177.663 176.117 -0.008 0.000 1.019 650 I CA -0.381 60.907 61.300 -0.019 0.000 1.302 650 I CB 1.357 39.352 38.000 -0.009 0.000 1.401 650 I HN 0.371 nan 8.210 nan 0.000 0.485 651 A N 5.371 128.190 122.820 -0.002 0.000 1.929 651 A HA 0.454 4.811 4.320 0.063 0.000 0.216 651 A C 1.028 178.617 177.584 0.008 0.000 1.176 651 A CA 1.437 53.479 52.037 0.009 0.000 0.628 651 A CB -0.033 18.980 19.000 0.022 0.000 0.816 651 A HN 0.830 nan 8.150 nan 0.000 0.444 652 A N -2.338 120.481 122.820 -0.002 0.000 2.586 652 A HA 0.563 4.921 4.320 0.063 0.000 0.291 652 A C -0.067 177.483 177.584 -0.055 0.000 1.062 652 A CA 0.070 52.105 52.037 -0.003 0.000 0.666 652 A CB -0.237 18.786 19.000 0.038 0.000 1.281 652 A HN 0.810 nan 8.150 nan 0.000 0.421 653 T N -1.505 113.008 114.554 -0.068 0.000 2.847 653 T HA 0.568 4.956 4.350 0.063 0.000 0.279 653 T C 0.978 175.648 174.700 -0.051 0.000 0.984 653 T CA 0.026 62.016 62.100 -0.183 0.000 0.988 653 T CB 0.112 68.898 68.868 -0.137 0.000 1.040 653 T HN 0.484 nan 8.240 nan 0.000 0.528 654 F N 0.573 120.556 119.950 0.054 0.000 2.120 654 F HA -0.052 4.512 4.527 0.063 0.000 0.300 654 F C 2.976 178.916 175.800 0.232 0.000 1.095 654 F CA 1.081 59.170 58.000 0.148 0.000 1.249 654 F CB -0.680 38.382 39.000 0.105 0.000 0.995 654 F HN 0.710 nan 8.300 nan 0.000 0.480 655 A N 0.275 123.269 122.820 0.289 0.000 1.968 655 A HA 0.021 4.378 4.320 0.063 0.000 0.217 655 A C 2.431 180.087 177.584 0.120 0.000 1.169 655 A CA 1.478 53.620 52.037 0.175 0.000 0.638 655 A CB -1.419 17.644 19.000 0.104 0.000 0.812 655 A HN 0.395 nan 8.150 nan 0.000 0.446 656 G N -0.979 107.879 108.800 0.097 0.000 2.448 656 G HA2 0.283 4.281 3.960 0.063 0.000 0.218 656 G HA3 0.283 4.281 3.960 0.063 0.000 0.218 656 G C 0.673 175.626 174.900 0.088 0.000 1.135 656 G CA 0.942 46.081 45.100 0.065 0.000 0.784 656 G HN 1.043 nan 8.290 nan 0.000 0.543 657 A N 0.929 123.838 122.820 0.147 0.000 3.105 657 A HA 0.697 5.055 4.320 0.063 0.000 0.336 657 A C -2.606 175.128 177.584 0.249 0.000 1.042 657 A CA -1.182 50.957 52.037 0.169 0.000 0.851 657 A CB 1.152 20.254 19.000 0.170 0.000 1.068 657 A HN 0.107 nan 8.150 nan 0.000 0.477 658 P HA 0.037 nan 4.420 nan 0.000 0.271 658 P C 1.390 178.507 177.300 -0.306 0.000 1.244 658 P CA 0.362 63.388 63.100 -0.124 0.000 0.793 658 P CB 0.694 32.317 31.700 -0.128 0.000 0.984 659 S N 0.620 115.786 115.700 -0.891 0.000 2.419 659 S HA -0.171 4.337 4.470 0.063 0.000 0.235 659 S C 1.800 176.256 174.600 -0.241 0.000 1.019 659 S CA 1.183 59.028 58.200 -0.593 0.000 0.982 659 S CB -1.423 61.331 63.200 -0.744 0.000 0.789 659 S HN 0.355 nan 8.310 nan 0.000 0.490 660 L N 1.791 122.875 121.223 -0.231 0.000 2.129 660 L HA -0.101 4.277 4.340 0.063 0.000 0.212 660 L C 2.892 179.595 176.870 -0.278 0.000 1.087 660 L CA 1.677 56.386 54.840 -0.218 0.000 0.757 660 L CB -1.557 40.349 42.059 -0.255 0.000 0.896 660 L HN 0.636 nan 8.230 nan 0.000 0.434 661 T N -3.089 111.364 114.554 -0.169 0.000 3.129 661 T HA 0.254 4.642 4.350 0.063 0.000 0.251 661 T C 0.324 175.099 174.700 0.125 0.000 1.117 661 T CA 0.147 62.210 62.100 -0.062 0.000 1.034 661 T CB -0.415 68.513 68.868 0.101 0.000 0.968 661 T HN 0.182 nan 8.240 nan 0.000 0.526 662 V N -3.092 116.864 119.914 0.071 0.000 3.158 662 V HA 0.587 4.745 4.120 0.063 0.000 0.311 662 V C -0.330 175.809 176.094 0.075 0.000 1.181 662 V CA -0.953 61.420 62.300 0.123 0.000 1.054 662 V CB 2.101 34.014 31.823 0.151 0.000 1.085 662 V HN -0.009 nan 8.190 nan 0.000 0.446 663 D N 0.692 121.138 120.400 0.076 0.000 2.392 663 D HA 0.540 5.218 4.640 0.063 0.000 0.206 663 D C 0.506 176.791 176.300 -0.025 0.000 1.046 663 D CA 1.413 55.433 54.000 0.034 0.000 0.865 663 D CB 1.603 42.446 40.800 0.071 0.000 0.969 663 D HN 1.026 nan 8.370 nan 0.000 0.509 664 A N 0.167 122.987 122.820 0.001 0.000 2.586 664 A HA 0.509 4.866 4.320 0.063 0.000 0.291 664 A C -1.577 176.020 177.584 0.022 0.000 1.062 664 A CA -0.568 51.455 52.037 -0.023 0.000 0.666 664 A CB 1.312 20.283 19.000 -0.048 0.000 1.281 664 A HN -0.111 nan 8.150 nan 0.000 0.421 665 V N 1.212 121.130 119.914 0.007 0.000 2.604 665 V HA 0.631 4.788 4.120 0.063 0.000 0.305 665 V C -0.530 175.560 176.094 -0.007 0.000 1.043 665 V CA -0.286 62.028 62.300 0.023 0.000 0.888 665 V CB 1.524 33.377 31.823 0.051 0.000 0.995 665 V HN 0.699 nan 8.190 nan 0.000 0.429 666 I N 3.889 124.461 120.570 0.003 0.000 2.545 666 I HA 0.548 4.756 4.170 0.063 0.000 0.292 666 I C -0.938 175.191 176.117 0.019 0.000 1.040 666 I CA -0.956 60.372 61.300 0.048 0.000 1.068 666 I CB 2.394 40.456 38.000 0.102 0.000 1.251 666 I HN 0.284 nan 8.210 nan 0.000 0.424 667 V N 7.247 127.189 119.914 0.046 0.000 2.326 667 V HA 0.359 4.517 4.120 0.063 0.000 0.281 667 V C -2.105 174.036 176.094 0.079 0.000 1.015 667 V CA -1.473 60.838 62.300 0.019 0.000 0.823 667 V CB 1.163 32.957 31.823 -0.047 0.000 1.009 667 V HN 0.562 nan 8.190 nan 0.000 0.436 671 N N 1.922 120.640 118.700 0.030 0.000 2.971 671 N HA 0.125 4.902 4.740 0.063 0.000 0.294 671 N C 1.769 177.316 175.510 0.061 0.000 1.210 671 N CA -0.361 52.712 53.050 0.038 0.000 1.157 671 N CB -0.350 38.162 38.487 0.042 0.000 1.450 671 N HN 0.345 nan 8.380 nan 0.000 0.527 672 I N 0.624 121.221 120.570 0.046 0.000 2.248 672 I HA -0.277 3.930 4.170 0.063 0.000 0.248 672 I C 2.084 178.209 176.117 0.014 0.000 1.107 672 I CA 0.854 62.183 61.300 0.048 0.000 1.373 672 I CB -1.568 36.432 38.000 0.000 0.000 1.055 672 I HN 0.429 nan 8.210 nan 0.000 0.418 673 A N 0.828 123.645 122.820 -0.004 0.000 2.032 673 A HA -0.306 4.051 4.320 0.063 0.000 0.221 673 A C 2.083 179.685 177.584 0.030 0.000 1.165 673 A CA 2.252 54.283 52.037 -0.010 0.000 0.645 673 A CB -0.826 18.170 19.000 -0.007 0.000 0.807 673 A HN 0.473 nan 8.150 nan 0.000 0.453 674 D N 0.266 120.710 120.400 0.074 0.000 2.123 674 D HA -0.153 4.525 4.640 0.063 0.000 0.196 674 D C 1.548 177.932 176.300 0.140 0.000 0.992 674 D CA 1.769 55.842 54.000 0.121 0.000 0.833 674 D CB -0.222 40.686 40.800 0.179 0.000 0.954 674 D HN 0.659 nan 8.370 nan 0.000 0.455 675 I N -3.906 116.765 120.570 0.168 0.000 4.082 675 I HA 0.493 4.701 4.170 0.063 0.000 0.337 675 I C 1.780 178.012 176.117 0.191 0.000 1.352 675 I CA -0.089 61.336 61.300 0.209 0.000 1.097 675 I CB 0.230 38.407 38.000 0.294 0.000 1.048 675 I HN -0.077 nan 8.210 nan 0.000 0.393 676 A N 1.466 124.303 122.820 0.029 0.000 1.972 676 A HA -0.137 4.221 4.320 0.063 0.000 0.219 676 A C 1.560 179.097 177.584 -0.078 0.000 1.169 676 A CA 1.888 53.813 52.037 -0.187 0.000 0.635 676 A CB -0.384 18.459 19.000 -0.263 0.000 0.810 676 A HN 0.522 nan 8.150 nan 0.000 0.446 677 D N -0.905 119.494 120.400 -0.002 0.000 2.431 677 D HA 0.036 4.714 4.640 0.063 0.000 0.213 677 D C -0.089 176.236 176.300 0.042 0.000 1.130 677 D CA -0.200 53.806 54.000 0.010 0.000 0.834 677 D CB -0.147 40.652 40.800 -0.002 0.000 0.985 677 D HN 0.320 nan 8.370 nan 0.000 0.504 678 N N 1.173 119.916 118.700 0.071 0.000 2.420 678 N HA 0.035 4.812 4.740 0.063 0.000 0.262 678 N C 1.325 176.875 175.510 0.066 0.000 1.144 678 N CA 0.069 53.162 53.050 0.072 0.000 0.952 678 N CB 1.537 40.084 38.487 0.099 0.000 1.081 678 N HN -0.001 nan 8.380 nan 0.000 0.480 679 G N 3.356 112.192 108.800 0.061 0.000 2.421 679 G HA2 -0.253 3.745 3.960 0.063 0.000 0.216 679 G HA3 -0.253 3.745 3.960 0.063 0.000 0.216 679 G C 0.961 175.914 174.900 0.088 0.000 1.171 679 G CA 0.525 45.662 45.100 0.063 0.000 0.775 679 G HN 0.593 nan 8.290 nan 0.000 0.543 680 D N 0.935 121.395 120.400 0.100 0.000 2.149 680 D HA -0.036 4.641 4.640 0.063 0.000 0.198 680 D C 2.756 179.072 176.300 0.026 0.000 0.990 680 D CA 1.254 55.347 54.000 0.155 0.000 0.839 680 D CB -0.372 40.588 40.800 0.267 0.000 0.948 680 D HN 0.323 nan 8.370 nan 0.000 0.460 681 A N 0.759 123.435 122.820 -0.241 0.000 1.897 681 A HA -0.149 4.208 4.320 0.063 0.000 0.215 681 A C 2.035 179.430 177.584 -0.316 0.000 1.181 681 A CA 1.069 52.709 52.037 -0.662 0.000 0.620 681 A CB -0.406 18.152 19.000 -0.737 0.000 0.821 681 A HN 0.131 nan 8.150 nan 0.000 0.443 682 N N -1.340 117.327 118.700 -0.056 0.000 2.084 682 N HA -0.197 4.581 4.740 0.063 0.000 0.190 682 N C 1.714 177.232 175.510 0.013 0.000 1.030 682 N CA 1.866 54.943 53.050 0.043 0.000 0.849 682 N CB -0.473 38.100 38.487 0.143 0.000 1.012 682 N HN 0.673 nan 8.380 nan 0.000 0.423 683 Y N 0.596 120.868 120.300 -0.047 0.000 2.224 683 Y HA -0.279 4.309 4.550 0.062 0.000 0.289 683 Y C 2.399 178.252 175.900 -0.078 0.000 1.146 683 Y CA 1.252 59.318 58.100 -0.057 0.000 1.182 683 Y CB -0.397 38.036 38.460 -0.046 0.000 0.983 683 Y HN 0.035 nan 8.280 nan 0.000 0.524 684 Y N 0.493 120.670 120.300 -0.204 0.000 2.102 684 Y HA -0.373 4.215 4.550 0.063 0.000 0.280 684 Y C 2.117 177.815 175.900 -0.337 0.000 1.178 684 Y CA 2.291 60.234 58.100 -0.261 0.000 1.146 684 Y CB -0.550 37.753 38.460 -0.262 0.000 0.968 684 Y HN 0.138 nan 8.280 nan 0.000 0.504 685 L N -1.223 119.929 121.223 -0.119 0.000 2.056 685 L HA -0.261 4.117 4.340 0.063 0.000 0.207 685 L C 2.461 179.212 176.870 -0.198 0.000 1.078 685 L CA 1.468 56.215 54.840 -0.154 0.000 0.749 685 L CB -0.545 41.390 42.059 -0.206 0.000 0.901 685 L HN 0.288 nan 8.230 nan 0.000 0.433 686 M N -0.543 118.886 119.600 -0.286 0.000 2.117 686 M HA -0.233 4.284 4.480 0.063 0.000 0.262 686 M C 2.266 178.296 176.300 -0.449 0.000 1.065 686 M CA 1.729 56.847 55.300 -0.305 0.000 1.114 686 M CB -0.358 32.069 32.600 -0.289 0.000 1.361 686 M HN 0.228 nan 8.290 nan 0.000 0.408 687 E N 0.480 120.210 120.200 -0.784 0.000 2.047 687 E HA -0.181 4.207 4.350 0.063 0.000 0.191 687 E C 2.007 178.215 176.600 -0.654 0.000 0.987 687 E CA 1.261 57.160 56.400 -0.836 0.000 0.799 687 E CB 0.009 29.175 29.700 -0.889 0.000 0.752 687 E HN 0.465 nan 8.360 nan 0.000 0.449 688 A N 0.430 122.995 122.820 -0.425 0.000 1.908 688 A HA -0.229 4.128 4.320 0.063 0.000 0.218 688 A C 2.063 179.535 177.584 -0.187 0.000 1.181 688 A CA 1.623 53.511 52.037 -0.248 0.000 0.627 688 A CB -1.025 17.891 19.000 -0.139 0.000 0.818 688 A HN 0.565 nan 8.150 nan 0.000 0.445 689 Y N 0.520 120.659 120.300 -0.267 0.000 2.097 689 Y HA -0.239 4.349 4.550 0.063 0.000 0.282 689 Y C 2.435 178.214 175.900 -0.203 0.000 1.152 689 Y CA 2.438 60.413 58.100 -0.208 0.000 1.136 689 Y CB -0.239 38.115 38.460 -0.176 0.000 0.975 689 Y HN 0.318 nan 8.280 nan 0.000 0.498 690 K N -0.681 119.613 120.400 -0.176 0.000 2.103 690 K HA -0.224 4.134 4.320 0.063 0.000 0.207 690 K C 1.198 177.716 176.600 -0.137 0.000 1.048 690 K CA 1.996 58.169 56.287 -0.191 0.000 0.930 690 K CB -0.435 31.912 32.500 -0.254 0.000 0.716 690 K HN 0.598 nan 8.250 nan 0.000 0.444 691 H N 0.283 119.228 119.070 -0.210 0.000 2.536 691 H HA 0.162 4.755 4.556 0.063 0.000 0.276 691 H C 0.051 175.209 175.328 -0.284 0.000 1.019 691 H CA 0.193 56.112 56.048 -0.216 0.000 1.159 691 H CB 0.134 29.767 29.762 -0.214 0.000 1.373 691 H HN 0.124 nan 8.280 nan 0.000 0.584 692 L N -0.060 121.009 121.223 -0.256 0.000 4.351 692 L HA -0.266 4.112 4.340 0.063 0.000 0.410 692 L C -0.463 176.137 176.870 -0.450 0.000 1.150 692 L CA 0.544 55.137 54.840 -0.412 0.000 0.961 692 L CB -1.849 39.941 42.059 -0.449 0.000 2.130 692 L HN 0.293 nan 8.230 nan 0.000 0.787 693 K N 0.800 121.003 120.400 -0.328 0.000 2.174 693 K HA 0.497 4.854 4.320 0.063 0.000 0.275 693 K C -2.175 174.283 176.600 -0.238 0.000 1.015 693 K CA -1.840 54.276 56.287 -0.285 0.000 0.933 693 K CB 0.534 32.920 32.500 -0.190 0.000 1.025 693 K HN -0.210 nan 8.250 nan 0.000 0.463 694 P HA 0.019 nan 4.420 nan 0.000 0.266 694 P C -0.762 176.467 177.300 -0.118 0.000 1.195 694 P CA 0.426 63.421 63.100 -0.175 0.000 0.768 694 P CB 0.423 32.020 31.700 -0.171 0.000 0.838 695 I N 1.773 122.288 120.570 -0.092 0.000 2.545 695 I HA 0.620 4.828 4.170 0.063 0.000 0.292 695 I C -0.360 175.706 176.117 -0.084 0.000 1.040 695 I CA -0.770 60.495 61.300 -0.059 0.000 1.068 695 I CB 2.192 40.185 38.000 -0.011 0.000 1.251 695 I HN 0.263 nan 8.210 nan 0.000 0.424 696 A N 7.378 130.153 122.820 -0.074 0.000 2.356 696 A HA 0.898 5.256 4.320 0.063 0.000 0.310 696 A C -1.188 176.493 177.584 0.162 0.000 1.075 696 A CA -0.443 51.525 52.037 -0.115 0.000 0.746 696 A CB 1.050 19.817 19.000 -0.389 0.000 1.221 696 A HN 0.654 nan 8.150 nan 0.000 0.443 697 L N 2.269 123.660 121.223 0.280 0.000 2.372 697 L HA 0.669 5.047 4.340 0.063 0.000 0.273 697 L C 0.262 177.339 176.870 0.344 0.000 0.989 697 L CA -0.518 54.486 54.840 0.274 0.000 0.841 697 L CB 1.848 44.012 42.059 0.175 0.000 1.225 697 L HN 0.791 nan 8.230 nan 0.000 0.414 698 A N 2.362 125.285 122.820 0.173 0.000 2.305 698 A HA 0.838 5.196 4.320 0.063 0.000 0.322 698 A C 0.779 178.344 177.584 -0.032 0.000 1.187 698 A CA 0.388 52.371 52.037 -0.090 0.000 0.825 698 A CB 1.013 19.772 19.000 -0.402 0.000 1.164 698 A HN 0.982 nan 8.150 nan 0.000 0.498 699 G N 1.954 110.726 108.800 -0.046 0.000 2.634 699 G HA2 -0.344 3.653 3.960 0.063 0.000 0.309 699 G HA3 -0.344 3.653 3.960 0.063 0.000 0.309 699 G C 0.505 175.408 174.900 0.004 0.000 1.265 699 G CA 0.833 45.917 45.100 -0.027 0.000 0.998 699 G HN 0.710 nan 8.290 nan 0.000 0.551 700 D N 1.303 121.702 120.400 -0.001 0.000 2.351 700 D HA 0.191 4.869 4.640 0.063 0.000 0.216 700 D C 2.560 178.870 176.300 0.017 0.000 0.968 700 D CA 1.531 55.529 54.000 -0.004 0.000 0.899 700 D CB -0.640 40.150 40.800 -0.017 0.000 0.907 700 D HN 0.790 nan 8.370 nan 0.000 0.514 701 A N 0.528 123.396 122.820 0.079 0.000 2.125 701 A HA -0.163 4.194 4.320 0.063 0.000 0.219 701 A C 2.074 179.781 177.584 0.206 0.000 1.156 701 A CA 0.738 52.898 52.037 0.206 0.000 0.671 701 A CB -0.360 18.770 19.000 0.218 0.000 0.794 701 A HN 0.128 nan 8.150 nan 0.000 0.459 702 R N -0.303 120.261 120.500 0.106 0.000 2.200 702 R HA -0.127 4.250 4.340 0.063 0.000 0.234 702 R C 1.882 178.204 176.300 0.037 0.000 1.127 702 R CA 1.411 57.560 56.100 0.082 0.000 0.989 702 R CB -0.228 30.105 30.300 0.055 0.000 0.869 702 R HN 0.514 nan 8.270 nan 0.000 0.459 703 K N -0.199 120.184 120.400 -0.028 0.000 2.160 703 K HA -0.166 4.192 4.320 0.063 0.000 0.206 703 K C 1.402 177.911 176.600 -0.152 0.000 1.047 703 K CA 1.416 57.629 56.287 -0.125 0.000 0.930 703 K CB -0.145 32.215 32.500 -0.233 0.000 0.720 703 K HN 0.149 nan 8.250 nan 0.000 0.450 704 F N 1.162 121.089 119.950 -0.039 0.000 2.546 704 F HA -0.116 4.449 4.527 0.063 0.000 0.298 704 F C 1.864 177.619 175.800 -0.075 0.000 1.120 704 F CA 0.867 58.832 58.000 -0.057 0.000 1.456 704 F CB -0.024 38.940 39.000 -0.060 0.000 1.088 704 F HN -0.059 nan 8.300 nan 0.000 0.572 705 K N 0.212 120.661 120.400 0.082 0.000 2.152 705 K HA -0.187 4.170 4.320 0.063 0.000 0.206 705 K C 2.312 178.888 176.600 -0.039 0.000 1.048 705 K CA 1.061 57.351 56.287 0.005 0.000 0.933 705 K CB -0.333 32.166 32.500 -0.002 0.000 0.721 705 K HN 0.270 nan 8.250 nan 0.000 0.447 706 A N 0.690 123.491 122.820 -0.032 0.000 1.972 706 A HA -0.137 4.221 4.320 0.063 0.000 0.219 706 A C 2.073 179.626 177.584 -0.051 0.000 1.169 706 A CA 1.870 53.877 52.037 -0.049 0.000 0.635 706 A CB -0.723 18.245 19.000 -0.053 0.000 0.810 706 A HN 0.263 nan 8.150 nan 0.000 0.446 707 T N 0.593 115.135 114.554 -0.020 0.000 2.915 707 T HA -0.039 4.349 4.350 0.063 0.000 0.269 707 T C 1.378 176.013 174.700 -0.107 0.000 1.071 707 T CA 1.448 63.535 62.100 -0.020 0.000 1.132 707 T CB -0.453 68.456 68.868 0.069 0.000 0.878 707 T HN 0.728 nan 8.240 nan 0.000 0.479 708 I N -1.685 118.767 120.570 -0.196 0.000 3.914 708 I HA 0.454 4.662 4.170 0.063 0.000 0.333 708 I C -0.229 175.628 176.117 -0.433 0.000 1.449 708 I CA -0.711 60.327 61.300 -0.435 0.000 1.135 708 I CB -0.346 37.225 38.000 -0.716 0.000 1.073 708 I HN -0.094 nan 8.210 nan 0.000 0.401 709 K N 1.690 121.958 120.400 -0.220 0.000 3.148 709 K HA -0.133 4.224 4.320 0.063 0.000 0.267 709 K C -0.432 176.092 176.600 -0.126 0.000 0.996 709 K CA 0.632 56.833 56.287 -0.143 0.000 0.737 709 K CB -1.677 30.758 32.500 -0.108 0.000 1.308 709 K HN 0.556 nan 8.250 nan 0.000 0.470 710 I N 0.953 121.450 120.570 -0.122 0.000 2.365 710 I HA 0.279 4.486 4.170 0.063 0.000 0.291 710 I C 1.062 177.159 176.117 -0.034 0.000 1.004 710 I CA -0.628 60.633 61.300 -0.066 0.000 1.311 710 I CB 1.328 39.293 38.000 -0.058 0.000 1.401 710 I HN 0.268 nan 8.210 nan 0.000 0.491 711 A N 4.384 127.195 122.820 -0.015 0.000 2.406 711 A HA 0.087 4.445 4.320 0.063 0.000 0.243 711 A C 0.950 178.531 177.584 -0.006 0.000 1.082 711 A CA -0.290 51.741 52.037 -0.010 0.000 0.786 711 A CB 0.174 19.172 19.000 -0.002 0.000 1.029 711 A HN 0.806 nan 8.150 nan 0.000 0.495 712 D N 0.120 120.517 120.400 -0.005 0.000 2.149 712 D HA -0.230 4.448 4.640 0.063 0.000 0.194 712 D C 1.999 178.301 176.300 0.003 0.000 1.001 712 D CA 2.228 56.227 54.000 -0.002 0.000 0.849 712 D CB -0.182 40.617 40.800 -0.003 0.000 0.939 712 D HN 0.839 nan 8.370 nan 0.000 0.449 713 Q N 0.146 119.948 119.800 0.004 0.000 2.488 713 Q HA 0.166 4.543 4.340 0.063 0.000 0.211 713 Q C 0.929 176.934 176.000 0.008 0.000 0.967 713 Q CA 0.851 56.658 55.803 0.006 0.000 0.926 713 Q CB 0.166 28.907 28.738 0.006 0.000 0.992 713 Q HN 0.142 nan 8.270 nan 0.000 0.506 714 G N 0.642 109.447 108.800 0.008 0.000 2.660 714 G HA2 -0.247 3.751 3.960 0.063 0.000 0.247 714 G HA3 -0.247 3.751 3.960 0.063 0.000 0.247 714 G C -1.229 173.679 174.900 0.012 0.000 1.328 714 G CA -0.234 44.873 45.100 0.011 0.000 0.884 714 G HN 0.596 nan 8.290 nan 0.000 0.531 715 E N -0.767 119.440 120.200 0.013 0.000 2.381 715 E HA 0.472 4.860 4.350 0.063 0.000 0.286 715 E C -0.571 176.029 176.600 -0.001 0.000 0.960 715 E CA -0.553 55.857 56.400 0.016 0.000 0.793 715 E CB 1.523 31.250 29.700 0.045 0.000 1.225 715 E HN 0.717 nan 8.360 nan 0.000 0.420 716 E N 2.110 122.301 120.200 -0.015 0.000 2.585 716 E HA 0.229 4.616 4.350 0.063 0.000 0.252 716 E C 0.819 177.379 176.600 -0.066 0.000 0.981 716 E CA 2.342 58.718 56.400 -0.041 0.000 0.943 716 E CB 0.205 29.880 29.700 -0.042 0.000 0.923 716 E HN 0.853 nan 8.360 nan 0.000 0.486 717 G N 4.200 112.947 108.800 -0.088 0.000 2.213 717 G HA2 -0.182 3.815 3.960 0.063 0.000 0.226 717 G HA3 -0.182 3.815 3.960 0.063 0.000 0.226 717 G C -0.072 174.776 174.900 -0.086 0.000 0.992 717 G CA -0.016 45.011 45.100 -0.122 0.000 0.632 717 G HN 0.446 nan 8.290 nan 0.000 0.511 718 I N 2.249 122.795 120.570 -0.041 0.000 2.354 718 I HA 0.483 4.690 4.170 0.063 0.000 0.286 718 I C 0.599 176.677 176.117 -0.065 0.000 1.007 718 I CA -1.263 60.021 61.300 -0.026 0.000 1.167 718 I CB 1.121 39.138 38.000 0.028 0.000 1.320 718 I HN -0.089 nan 8.210 nan 0.000 0.458 719 V N 7.472 127.303 119.914 -0.137 0.000 2.607 719 V HA 0.437 4.595 4.120 0.063 0.000 0.289 719 V C 0.207 176.242 176.094 -0.097 0.000 1.053 719 V CA -0.418 61.751 62.300 -0.218 0.000 0.996 719 V CB 1.358 32.881 31.823 -0.500 0.000 0.995 719 V HN 0.877 nan 8.190 nan 0.000 0.476 720 E N 3.546 123.770 120.200 0.040 0.000 2.372 720 E HA 0.860 5.248 4.350 0.063 0.000 0.279 720 E C -1.070 175.690 176.600 0.266 0.000 0.946 720 E CA -0.978 55.550 56.400 0.214 0.000 0.769 720 E CB 2.401 32.169 29.700 0.115 0.000 1.230 720 E HN 0.890 nan 8.360 nan 0.000 0.442 721 A N 1.662 124.646 122.820 0.274 0.000 2.544 721 A HA 0.361 4.719 4.320 0.063 0.000 0.291 721 A C -0.572 177.035 177.584 0.037 0.000 1.055 721 A CA -0.587 51.545 52.037 0.158 0.000 0.651 721 A CB 1.107 20.241 19.000 0.224 0.000 1.296 721 A HN 0.591 nan 8.150 nan 0.000 0.431 722 D N 0.501 120.901 120.400 0.001 0.000 2.149 722 D HA 0.009 4.686 4.640 0.063 0.000 0.198 722 D C 1.182 177.428 176.300 -0.091 0.000 0.990 722 D CA 2.437 56.417 54.000 -0.033 0.000 0.839 722 D CB 0.044 40.830 40.800 -0.023 0.000 0.948 722 D HN 0.824 nan 8.370 nan 0.000 0.460 723 S N -1.737 113.873 115.700 -0.149 0.000 2.685 723 S HA 0.659 5.166 4.470 0.063 0.000 0.282 723 S C -0.459 173.837 174.600 -0.507 0.000 1.159 723 S CA -0.620 57.424 58.200 -0.259 0.000 0.833 723 S CB 1.918 65.019 63.200 -0.165 0.000 1.151 723 S HN -0.010 nan 8.310 nan 0.000 0.485 724 A N 1.677 124.121 122.820 -0.627 0.000 3.029 724 A HA 0.401 4.759 4.320 0.063 0.000 0.251 724 A C 0.274 177.716 177.584 -0.236 0.000 1.749 724 A CA -0.326 51.223 52.037 -0.812 0.000 1.386 724 A CB -2.021 16.635 19.000 -0.574 0.000 1.043 724 A HN 0.811 nan 8.150 nan 0.000 0.638 725 D N -0.394 119.938 120.400 -0.113 0.000 2.346 725 D HA 0.269 4.946 4.640 0.063 0.000 0.249 725 D C 1.471 177.824 176.300 0.089 0.000 1.308 725 D CA 0.198 54.203 54.000 0.007 0.000 0.987 725 D CB -0.043 40.766 40.800 0.015 0.000 1.114 725 D HN 0.041 nan 8.370 nan 0.000 0.529 726 G N -1.124 107.713 108.800 0.062 0.000 2.418 726 G HA2 -0.310 3.687 3.960 0.063 0.000 0.217 726 G HA3 -0.310 3.687 3.960 0.063 0.000 0.217 726 G C 1.549 176.499 174.900 0.083 0.000 1.158 726 G CA 1.260 46.399 45.100 0.064 0.000 0.771 726 G HN 0.536 nan 8.290 nan 0.000 0.545 727 S N -0.146 115.605 115.700 0.085 0.000 2.356 727 S HA -0.133 4.374 4.470 0.063 0.000 0.223 727 S C 2.121 176.792 174.600 0.119 0.000 1.032 727 S CA 1.490 59.739 58.200 0.082 0.000 1.005 727 S CB -0.470 62.770 63.200 0.068 0.000 0.867 727 S HN 0.372 nan 8.310 nan 0.000 0.449 728 F N 2.095 122.043 119.950 -0.004 0.000 2.065 728 F HA -0.130 4.434 4.527 0.063 0.000 0.298 728 F C 2.236 178.031 175.800 -0.007 0.000 1.112 728 F CA 2.106 60.103 58.000 -0.005 0.000 1.212 728 F CB -0.334 38.664 39.000 -0.003 0.000 0.975 728 F HN 0.205 nan 8.300 nan 0.000 0.476 729 M N 0.239 119.993 119.600 0.257 0.000 2.132 729 M HA -0.178 4.340 4.480 0.063 0.000 0.263 729 M C 1.838 178.144 176.300 0.010 0.000 1.065 729 M CA 1.411 56.780 55.300 0.114 0.000 1.122 729 M CB -1.443 31.243 32.600 0.142 0.000 1.365 729 M HN 0.144 nan 8.290 nan 0.000 0.411 730 D N 0.592 121.004 120.400 0.021 0.000 2.123 730 D HA -0.166 4.512 4.640 0.063 0.000 0.196 730 D C 1.981 178.258 176.300 -0.038 0.000 0.992 730 D CA 1.256 55.254 54.000 -0.004 0.000 0.833 730 D CB -0.185 40.619 40.800 0.007 0.000 0.954 730 D HN 0.497 nan 8.370 nan 0.000 0.455 731 E N 0.252 120.415 120.200 -0.062 0.000 2.072 731 E HA -0.093 4.295 4.350 0.063 0.000 0.191 731 E C 2.207 178.726 176.600 -0.135 0.000 0.985 731 E CA 0.094 56.436 56.400 -0.096 0.000 0.801 731 E CB -0.023 29.605 29.700 -0.119 0.000 0.750 731 E HN 0.205 nan 8.360 nan 0.000 0.452 732 L N 1.016 122.124 121.223 -0.191 0.000 1.994 732 L HA -0.200 4.178 4.340 0.063 0.000 0.208 732 L C 2.259 179.059 176.870 -0.117 0.000 1.071 732 L CA 1.463 56.184 54.840 -0.197 0.000 0.745 732 L CB -0.296 41.611 42.059 -0.253 0.000 0.892 732 L HN 0.233 nan 8.230 nan 0.000 0.431 733 L N -0.486 120.690 121.223 -0.078 0.000 2.079 733 L HA -0.242 4.135 4.340 0.063 0.000 0.210 733 L C 2.501 179.346 176.870 -0.043 0.000 1.081 733 L CA 1.728 56.538 54.840 -0.049 0.000 0.752 733 L CB -0.846 41.196 42.059 -0.029 0.000 0.896 733 L HN 0.303 nan 8.230 nan 0.000 0.433 734 T N 0.203 114.729 114.554 -0.047 0.000 2.708 734 T HA -0.174 4.214 4.350 0.063 0.000 0.266 734 T C 1.961 176.630 174.700 -0.053 0.000 1.037 734 T CA 1.292 63.368 62.100 -0.039 0.000 1.146 734 T CB -0.282 68.564 68.868 -0.035 0.000 0.865 734 T HN 0.193 nan 8.240 nan 0.000 0.435 735 L N 0.254 121.426 121.223 -0.084 0.000 2.042 735 L HA -0.122 4.256 4.340 0.063 0.000 0.210 735 L C 2.735 179.539 176.870 -0.110 0.000 1.076 735 L CA 1.427 56.198 54.840 -0.115 0.000 0.749 735 L CB -0.558 41.412 42.059 -0.148 0.000 0.893 735 L HN 0.312 nan 8.230 nan 0.000 0.432 736 M N -0.820 118.730 119.600 -0.084 0.000 2.213 736 M HA -0.172 4.346 4.480 0.063 0.000 0.263 736 M C 2.437 178.737 176.300 -0.000 0.000 1.062 736 M CA 1.651 56.921 55.300 -0.051 0.000 1.105 736 M CB -0.465 32.114 32.600 -0.035 0.000 1.385 736 M HN 0.322 nan 8.290 nan 0.000 0.417 737 A N 0.225 123.045 122.820 0.000 0.000 2.070 737 A HA 0.012 4.370 4.320 0.063 0.000 0.220 737 A C 2.110 179.733 177.584 0.065 0.000 1.159 737 A CA 1.743 53.800 52.037 0.033 0.000 0.656 737 A CB -0.631 18.383 19.000 0.023 0.000 0.800 737 A HN 0.511 nan 8.150 nan 0.000 0.453 738 A N -2.789 120.048 122.820 0.029 0.000 2.307 738 A HA 0.384 4.741 4.320 0.063 0.000 0.218 738 A C 0.888 178.504 177.584 0.054 0.000 1.228 738 A CA 1.181 53.251 52.037 0.056 0.000 0.857 738 A CB -0.413 18.581 19.000 -0.010 0.000 0.897 738 A HN 0.958 nan 8.150 nan 0.000 0.495 739 H N -1.305 117.708 119.070 -0.096 0.000 4.806 739 H HA -0.176 4.417 4.556 0.063 0.000 0.061 739 H C 0.022 175.130 175.328 -0.366 0.000 0.604 739 H CA 2.329 58.302 56.048 -0.125 0.000 0.938 739 H CB -0.613 29.180 29.762 0.052 0.000 0.431 739 H HN 0.443 nan 8.280 nan 0.000 0.803 740 R N -0.269 119.664 120.500 -0.945 0.000 2.836 740 R HA 0.622 5.000 4.340 0.063 0.000 0.269 740 R C -0.683 174.778 176.300 -1.400 0.000 1.010 740 R CA -0.295 55.014 56.100 -1.319 0.000 0.930 740 R CB 1.791 30.954 30.300 -1.895 0.000 1.218 740 R HN 0.086 nan 8.270 nan 0.000 0.473 741 V N 2.388 121.692 119.914 -1.016 0.000 2.221 741 V HA 0.119 4.276 4.120 0.063 0.000 0.258 741 V C 0.675 176.378 176.094 -0.652 0.000 1.179 741 V CA -0.453 61.418 62.300 -0.715 0.000 1.022 741 V CB -0.207 31.346 31.823 -0.450 0.000 1.228 741 V HN 0.715 nan 8.190 nan 0.000 0.487 742 W N 1.604 122.611 121.300 -0.488 0.000 2.374 742 W HA -0.183 4.514 4.660 0.062 0.000 0.288 742 W C 2.567 178.862 176.519 -0.373 0.000 1.218 742 W CA 0.928 57.888 57.345 -0.643 0.000 1.245 742 W CB -0.427 28.244 29.460 -1.316 0.000 1.126 742 W HN 0.649 nan 8.180 nan 0.000 0.545 743 S N 0.871 116.520 115.700 -0.087 0.000 2.500 743 S HA -0.198 4.310 4.470 0.063 0.000 0.239 743 S C 1.710 176.270 174.600 -0.068 0.000 0.989 743 S CA 1.105 59.278 58.200 -0.047 0.000 0.951 743 S CB -0.466 62.709 63.200 -0.041 0.000 0.759 743 S HN 0.432 nan 8.310 nan 0.000 0.523 744 R N 0.510 120.926 120.500 -0.140 0.000 2.275 744 R HA 0.264 4.641 4.340 0.063 0.000 0.199 744 R C 1.785 178.019 176.300 -0.109 0.000 0.989 744 R CA 0.365 56.364 56.100 -0.167 0.000 1.016 744 R CB -0.342 29.744 30.300 -0.358 0.000 0.918 744 R HN 0.480 nan 8.270 nan 0.000 0.473 745 I N 1.800 122.342 120.570 -0.047 0.000 2.151 745 I HA -0.226 3.982 4.170 0.063 0.000 0.243 745 I C -0.835 175.306 176.117 0.041 0.000 1.080 745 I CA 1.335 62.649 61.300 0.023 0.000 1.339 745 I CB -0.781 37.281 38.000 0.103 0.000 1.039 745 I HN 0.157 nan 8.210 nan 0.000 0.409 746 P HA -0.163 nan 4.420 nan 0.000 0.221 746 P C 1.167 178.500 177.300 0.056 0.000 1.145 746 P CA 1.425 64.556 63.100 0.052 0.000 0.795 746 P CB -0.051 31.677 31.700 0.046 0.000 0.775 747 K N -0.657 119.774 120.400 0.052 0.000 2.426 747 K HA 0.108 4.466 4.320 0.063 0.000 0.193 747 K C 1.798 178.476 176.600 0.129 0.000 1.028 747 K CA 0.292 56.638 56.287 0.097 0.000 1.047 747 K CB -0.191 32.397 32.500 0.146 0.000 0.821 747 K HN 0.273 nan 8.250 nan 0.000 0.513 748 I N -2.932 117.685 120.570 0.078 0.000 3.228 748 I HA 0.015 4.222 4.170 0.063 0.000 0.279 748 I C 1.214 177.382 176.117 0.085 0.000 1.221 748 I CA 0.683 62.033 61.300 0.083 0.000 1.458 748 I CB 0.032 38.037 38.000 0.009 0.000 1.105 748 I HN -0.174 nan 8.210 nan 0.000 0.445 749 D N 2.485 122.933 120.400 0.080 0.000 2.149 749 D HA -0.198 4.479 4.640 0.063 0.000 0.194 749 D C 2.059 178.400 176.300 0.069 0.000 1.001 749 D CA 1.625 55.672 54.000 0.077 0.000 0.849 749 D CB -0.024 40.821 40.800 0.074 0.000 0.939 749 D HN 0.450 nan 8.370 nan 0.000 0.449 750 K N -0.096 120.345 120.400 0.068 0.000 2.228 750 K HA 0.080 4.437 4.320 0.063 0.000 0.202 750 K C 1.105 177.736 176.600 0.052 0.000 1.051 750 K CA -0.027 56.293 56.287 0.055 0.000 0.960 750 K CB 0.266 32.796 32.500 0.050 0.000 0.743 750 K HN 0.281 nan 8.250 nan 0.000 0.458 751 I N 2.809 123.418 120.570 0.066 0.000 2.533 751 I HA 0.111 4.319 4.170 0.063 0.000 0.284 751 I C -2.434 173.712 176.117 0.049 0.000 1.109 751 I CA -1.929 59.402 61.300 0.052 0.000 1.412 751 I CB 0.781 38.823 38.000 0.070 0.000 1.396 751 I HN -0.103 nan 8.210 nan 0.000 0.543 752 P HA 0.460 nan 4.420 nan 0.000 0.262 752 P C -0.913 176.443 177.300 0.093 0.000 1.620 752 P CA -0.101 63.034 63.100 0.059 0.000 1.089 752 P CB 0.783 32.513 31.700 0.048 0.000 1.601 753 A N 0.000 122.878 122.820 0.097 0.000 2.254 753 A HA 0.000 4.358 4.320 0.063 0.000 0.244 753 A CA 0.000 52.141 52.037 0.173 0.000 0.836 753 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486