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 3pq4_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 29 L N 0.657 121.835 121.223 -0.074 0.000 2.477 29 L HA 0.375 4.730 4.340 0.025 0.000 0.220 29 L C 1.376 178.167 176.870 -0.132 0.000 1.106 29 L CA 0.221 55.013 54.840 -0.081 0.000 0.851 29 L CB -0.212 41.810 42.059 -0.062 0.000 0.994 29 L HN 0.668 nan 8.230 nan 0.000 0.462 30 A N 1.620 124.308 122.820 -0.220 0.000 2.407 30 A HA 0.387 4.722 4.320 0.025 0.000 0.248 30 A C -1.972 175.458 177.584 -0.256 0.000 1.082 30 A CA -0.984 50.794 52.037 -0.432 0.000 0.785 30 A CB -0.529 17.924 19.000 -0.912 0.000 1.020 30 A HN -0.011 nan 8.150 nan 0.000 0.489 31 P HA 0.045 nan 4.420 nan 0.000 0.266 31 P C 0.125 177.410 177.300 -0.025 0.000 1.195 31 P CA 0.167 63.236 63.100 -0.052 0.000 0.768 31 P CB 0.737 32.448 31.700 0.018 0.000 0.838 32 E N 1.304 121.497 120.200 -0.012 0.000 2.209 32 E HA -0.228 4.137 4.350 0.025 0.000 0.196 32 E C 1.228 177.849 176.600 0.035 0.000 0.993 32 E CA 1.643 58.047 56.400 0.007 0.000 0.819 32 E CB -0.081 29.620 29.700 0.002 0.000 0.745 32 E HN 0.580 nan 8.360 nan 0.000 0.477 33 D N -1.318 119.108 120.400 0.043 0.000 2.363 33 D HA -0.018 4.637 4.640 0.025 0.000 0.226 33 D C 1.260 177.607 176.300 0.079 0.000 1.020 33 D CA 0.848 54.878 54.000 0.049 0.000 0.892 33 D CB -0.160 40.662 40.800 0.036 0.000 0.900 33 D HN 0.199 nan 8.370 nan 0.000 0.531 34 G N 0.326 109.216 108.800 0.149 0.000 2.155 34 G HA2 -0.361 3.614 3.960 0.025 0.000 0.257 34 G HA3 -0.361 3.614 3.960 0.025 0.000 0.257 34 G C 1.030 176.012 174.900 0.137 0.000 0.983 34 G CA 0.930 46.159 45.100 0.215 0.000 0.676 34 G HN 0.739 nan 8.290 nan 0.000 0.528 35 S N 0.522 116.313 115.700 0.152 0.000 2.603 35 S HA -0.037 4.448 4.470 0.025 0.000 0.229 35 S C 1.924 176.577 174.600 0.087 0.000 0.972 35 S CA 1.150 59.397 58.200 0.078 0.000 0.935 35 S CB -0.555 62.682 63.200 0.062 0.000 0.769 35 S HN 0.946 nan 8.310 nan 0.000 0.536 36 H N 0.920 119.996 119.070 0.011 0.000 2.502 36 H HA 0.241 4.812 4.556 0.025 0.000 0.283 36 H C 0.851 176.191 175.328 0.019 0.000 1.015 36 H CA 0.436 56.492 56.048 0.012 0.000 1.298 36 H CB -0.308 29.460 29.762 0.010 0.000 1.411 36 H HN 0.383 nan 8.280 nan 0.000 0.556 37 R N 2.739 122.959 120.500 -0.468 0.000 2.295 37 R HA 0.350 4.705 4.340 0.025 0.000 0.324 37 R C -2.693 173.518 176.300 -0.149 0.000 0.968 37 R CA -2.269 53.612 56.100 -0.364 0.000 0.837 37 R CB 0.911 30.872 30.300 -0.564 0.000 1.133 37 R HN 0.066 nan 8.270 nan 0.000 0.450 38 P HA 0.168 nan 4.420 nan 0.000 0.275 38 P C -0.859 176.433 177.300 -0.013 0.000 1.227 38 P CA -0.421 62.670 63.100 -0.016 0.000 0.781 38 P CB 1.114 32.829 31.700 0.026 0.000 0.906 39 A N 2.942 125.760 122.820 -0.004 0.000 2.540 39 A HA 0.322 4.657 4.320 0.025 0.000 0.239 39 A C 1.028 178.622 177.584 0.017 0.000 1.061 39 A CA 0.204 52.242 52.037 0.002 0.000 0.758 39 A CB -0.460 18.544 19.000 0.006 0.000 0.991 39 A HN 0.591 nan 8.150 nan 0.000 0.502 40 A N 3.215 126.045 122.820 0.016 0.000 3.118 40 A HA 0.491 4.826 4.320 0.025 0.000 0.256 40 A C 0.400 178.002 177.584 0.031 0.000 1.667 40 A CA 0.220 52.273 52.037 0.027 0.000 1.338 40 A CB -0.844 18.169 19.000 0.022 0.000 1.127 40 A HN 0.914 nan 8.150 nan 0.000 0.634 41 E N -0.449 119.771 120.200 0.034 0.000 2.412 41 E HA 0.541 4.906 4.350 0.025 0.000 0.279 41 E C -3.295 173.327 176.600 0.036 0.000 0.984 41 E CA -2.446 53.974 56.400 0.034 0.000 0.788 41 E CB 1.073 30.788 29.700 0.025 0.000 1.277 41 E HN 0.060 nan 8.360 nan 0.000 0.455 42 P HA 0.120 nan 4.420 nan 0.000 0.271 42 P C -0.770 176.539 177.300 0.014 0.000 1.216 42 P CA 0.180 63.292 63.100 0.021 0.000 0.771 42 P CB 0.691 32.389 31.700 -0.004 0.000 0.864 43 T N 0.256 114.816 114.554 0.010 0.000 2.916 43 T HA 0.604 4.969 4.350 0.025 0.000 0.305 43 T C -3.009 171.676 174.700 -0.024 0.000 1.119 43 T CA -2.407 59.697 62.100 0.006 0.000 1.008 43 T CB 1.740 70.616 68.868 0.014 0.000 1.129 43 T HN 0.101 nan 8.240 nan 0.000 0.480 44 P HA 0.376 nan 4.420 nan 0.000 0.274 44 P C -2.765 174.415 177.300 -0.199 0.000 1.246 44 P CA -1.573 61.422 63.100 -0.175 0.000 0.795 44 P CB -0.934 30.743 31.700 -0.039 0.000 1.006 45 P HA 0.024 nan 4.420 nan 0.000 0.264 45 P C 1.101 178.354 177.300 -0.078 0.000 1.183 45 P CA 1.459 64.458 63.100 -0.169 0.000 0.763 45 P CB -0.288 31.294 31.700 -0.196 0.000 0.807 46 G N 2.500 111.283 108.800 -0.027 0.000 2.234 46 G HA2 -0.359 3.616 3.960 0.025 0.000 0.260 46 G HA3 -0.359 3.616 3.960 0.025 0.000 0.260 46 G C 1.147 176.047 174.900 -0.001 0.000 0.987 46 G CA 0.441 45.538 45.100 -0.005 0.000 0.625 46 G HN 0.698 nan 8.290 nan 0.000 0.532 47 A N -0.967 121.850 122.820 -0.006 0.000 2.067 47 A HA 0.445 4.780 4.320 0.025 0.000 0.217 47 A C 1.281 178.870 177.584 0.009 0.000 1.156 47 A CA 1.963 54.002 52.037 0.003 0.000 0.683 47 A CB 0.024 19.026 19.000 0.003 0.000 0.808 47 A HN 0.552 nan 8.150 nan 0.000 0.455 48 Q N -0.987 118.821 119.800 0.014 0.000 2.462 48 Q HA 0.414 4.768 4.340 0.025 0.000 0.285 48 Q C -3.013 173.003 176.000 0.027 0.000 1.035 48 Q CA -1.946 53.869 55.803 0.020 0.000 0.799 48 Q CB 1.178 29.931 28.738 0.025 0.000 1.452 48 Q HN 0.067 nan 8.270 nan 0.000 0.404 49 P HA 0.073 nan 4.420 nan 0.000 0.272 49 P C -0.284 177.048 177.300 0.053 0.000 1.223 49 P CA -0.058 63.057 63.100 0.025 0.000 0.784 49 P CB 0.283 31.995 31.700 0.020 0.000 0.923 50 T N -1.094 113.490 114.554 0.050 0.000 2.828 50 T HA 0.639 5.004 4.350 0.025 0.000 0.290 50 T C -0.037 174.747 174.700 0.139 0.000 1.019 50 T CA -0.520 61.659 62.100 0.132 0.000 1.031 50 T CB 0.686 69.576 68.868 0.038 0.000 1.001 50 T HN 0.596 nan 8.240 nan 0.000 0.531 51 A N 1.519 124.525 122.820 0.311 0.000 2.594 51 A HA 0.786 5.121 4.320 0.025 0.000 0.291 51 A C -3.032 174.827 177.584 0.458 0.000 1.105 51 A CA -2.041 50.158 52.037 0.269 0.000 0.694 51 A CB 0.666 19.777 19.000 0.185 0.000 1.291 51 A HN 0.660 nan 8.150 nan 0.000 0.410 52 P HA 0.131 nan 4.420 nan 0.000 0.265 52 P C 1.188 178.648 177.300 0.265 0.000 1.187 52 P CA 0.854 64.180 63.100 0.378 0.000 0.766 52 P CB 0.569 32.407 31.700 0.231 0.000 0.820 53 G N 2.069 110.986 108.800 0.194 0.000 2.442 53 G HA2 -0.273 3.702 3.960 0.025 0.000 0.219 53 G HA3 -0.273 3.702 3.960 0.025 0.000 0.219 53 G C 1.487 176.409 174.900 0.037 0.000 1.141 53 G CA 1.060 46.185 45.100 0.043 0.000 0.763 53 G HN 0.590 nan 8.290 nan 0.000 0.554 54 S N -0.047 115.680 115.700 0.044 0.000 2.489 54 S HA 0.163 4.648 4.470 0.025 0.000 0.228 54 S C 2.189 176.811 174.600 0.037 0.000 0.995 54 S CA 0.545 58.755 58.200 0.017 0.000 0.934 54 S CB -0.145 63.058 63.200 0.005 0.000 0.771 54 S HN 0.311 nan 8.310 nan 0.000 0.522 55 L N 0.015 121.277 121.223 0.065 0.000 2.202 55 L HA 0.236 4.591 4.340 0.025 0.000 0.205 55 L C 2.691 179.597 176.870 0.061 0.000 1.083 55 L CA 0.899 55.776 54.840 0.063 0.000 0.790 55 L CB -0.361 41.744 42.059 0.077 0.000 0.942 55 L HN 0.255 nan 8.230 nan 0.000 0.452 56 K N 1.396 121.844 120.400 0.080 0.000 2.062 56 K HA 0.025 4.360 4.320 0.025 0.000 0.205 56 K C 0.759 177.392 176.600 0.056 0.000 1.051 56 K CA 1.359 57.693 56.287 0.078 0.000 0.941 56 K CB 0.111 32.676 32.500 0.109 0.000 0.719 56 K HN 0.149 nan 8.250 nan 0.000 0.440 57 A N 0.599 123.445 122.820 0.043 0.000 3.410 57 A HA 0.348 4.683 4.320 0.025 0.000 0.276 57 A C -2.192 175.401 177.584 0.015 0.000 0.995 57 A CA -0.954 51.105 52.037 0.037 0.000 0.934 57 A CB 0.539 19.567 19.000 0.047 0.000 1.191 57 A HN 0.142 nan 8.150 nan 0.000 0.511 58 P HA -0.137 nan 4.420 nan 0.000 0.218 58 P C 0.171 177.466 177.300 -0.008 0.000 1.148 58 P CA 1.278 64.380 63.100 0.002 0.000 0.822 58 P CB 0.263 31.968 31.700 0.008 0.000 0.784 59 D N -1.110 119.289 120.400 -0.001 0.000 2.340 59 D HA 0.018 4.672 4.640 0.025 0.000 0.220 59 D C 0.240 176.530 176.300 -0.017 0.000 1.039 59 D CA 0.529 54.525 54.000 -0.007 0.000 0.866 59 D CB -0.445 40.357 40.800 0.003 0.000 0.913 59 D HN 0.117 nan 8.370 nan 0.000 0.523 60 T N 2.778 117.320 114.554 -0.019 0.000 2.737 60 T HA 0.294 4.658 4.350 0.025 0.000 0.296 60 T C 0.410 175.068 174.700 -0.071 0.000 0.922 60 T CA -0.444 61.631 62.100 -0.043 0.000 1.079 60 T CB 0.956 69.799 68.868 -0.041 0.000 0.892 60 T HN -0.138 nan 8.240 nan 0.000 0.514 61 R N 3.172 123.623 120.500 -0.083 0.000 2.795 61 R HA 0.660 5.015 4.340 0.025 0.000 0.275 61 R C -0.427 175.814 176.300 -0.099 0.000 0.981 61 R CA -1.064 54.981 56.100 -0.091 0.000 0.917 61 R CB 1.629 31.883 30.300 -0.077 0.000 1.202 61 R HN 0.817 nan 8.270 nan 0.000 0.469 62 N N -2.178 116.466 118.700 -0.094 0.000 2.934 62 N HA 0.066 4.821 4.740 0.025 0.000 0.253 62 N C 0.267 175.733 175.510 -0.074 0.000 1.466 62 N CA -0.817 52.190 53.050 -0.071 0.000 0.858 62 N CB 0.822 39.298 38.487 -0.019 0.000 1.459 62 N HN 0.560 nan 8.380 nan 0.000 0.532 63 E N -0.246 119.925 120.200 -0.049 0.000 2.085 63 E HA -0.272 4.093 4.350 0.025 0.000 0.194 63 E C 1.052 177.584 176.600 -0.114 0.000 0.994 63 E CA 1.460 57.826 56.400 -0.056 0.000 0.801 63 E CB 0.070 29.762 29.700 -0.013 0.000 0.743 63 E HN 0.492 nan 8.360 nan 0.000 0.453 64 K N 0.743 121.041 120.400 -0.169 0.000 2.057 64 K HA -0.083 4.252 4.320 0.025 0.000 0.206 64 K C 2.119 178.557 176.600 -0.269 0.000 1.050 64 K CA 1.108 57.198 56.287 -0.329 0.000 0.935 64 K CB -0.442 31.688 32.500 -0.616 0.000 0.715 64 K HN 0.179 nan 8.250 nan 0.000 0.439 65 L N 0.833 121.913 121.223 -0.238 0.000 2.042 65 L HA -0.230 4.125 4.340 0.025 0.000 0.210 65 L C 1.869 178.627 176.870 -0.187 0.000 1.076 65 L CA 1.375 56.049 54.840 -0.277 0.000 0.749 65 L CB -0.558 41.334 42.059 -0.277 0.000 0.893 65 L HN 0.278 nan 8.230 nan 0.000 0.432 66 N N -0.478 118.138 118.700 -0.141 0.000 2.188 66 N HA -0.146 4.609 4.740 0.025 0.000 0.184 66 N C 2.045 177.497 175.510 -0.097 0.000 1.018 66 N CA 1.592 54.581 53.050 -0.102 0.000 0.858 66 N CB -0.342 38.098 38.487 -0.079 0.000 0.989 66 N HN 0.360 nan 8.380 nan 0.000 0.426 67 S N 0.217 115.848 115.700 -0.116 0.000 2.481 67 S HA 0.040 4.525 4.470 0.025 0.000 0.231 67 S C 1.782 176.319 174.600 -0.104 0.000 0.996 67 S CA 0.363 58.501 58.200 -0.103 0.000 0.942 67 S CB -0.407 62.724 63.200 -0.114 0.000 0.768 67 S HN 0.237 nan 8.310 nan 0.000 0.520 68 L N 0.739 121.886 121.223 -0.127 0.000 2.554 68 L HA 0.192 4.547 4.340 0.025 0.000 0.226 68 L C 2.616 179.439 176.870 -0.079 0.000 1.137 68 L CA 0.552 55.326 54.840 -0.111 0.000 0.863 68 L CB -0.364 41.611 42.059 -0.140 0.000 0.985 68 L HN 0.277 nan 8.230 nan 0.000 0.451 69 E N 1.084 121.241 120.200 -0.072 0.000 2.160 69 E HA -0.260 4.105 4.350 0.025 0.000 0.195 69 E C 1.688 178.268 176.600 -0.034 0.000 0.991 69 E CA 1.505 57.877 56.400 -0.048 0.000 0.810 69 E CB -0.071 29.603 29.700 -0.043 0.000 0.742 69 E HN 0.564 nan 8.360 nan 0.000 0.466 70 D N -0.515 119.863 120.400 -0.036 0.000 2.309 70 D HA -0.140 4.514 4.640 0.025 0.000 0.212 70 D C 1.577 177.863 176.300 -0.023 0.000 0.968 70 D CA 1.510 55.493 54.000 -0.027 0.000 0.882 70 D CB -0.224 40.559 40.800 -0.028 0.000 0.918 70 D HN 0.311 nan 8.370 nan 0.000 0.503 71 V N -3.748 116.150 119.914 -0.026 0.000 3.556 71 V HA 0.333 4.468 4.120 0.025 0.000 0.287 71 V C 0.869 176.956 176.094 -0.011 0.000 1.422 71 V CA -0.701 61.589 62.300 -0.017 0.000 1.038 71 V CB -0.441 31.372 31.823 -0.016 0.000 0.850 71 V HN -0.172 nan 8.190 nan 0.000 0.437 72 R N 1.951 122.443 120.500 -0.013 0.000 2.537 72 R HA 0.405 4.760 4.340 0.025 0.000 0.280 72 R C -0.251 176.050 176.300 0.003 0.000 1.058 72 R CA 0.233 56.333 56.100 0.000 0.000 1.057 72 R CB 0.611 30.910 30.300 -0.002 0.000 0.973 72 R HN 0.365 nan 8.270 nan 0.000 0.438 73 K N 1.082 121.488 120.400 0.011 0.000 2.376 73 K HA 0.324 4.659 4.320 0.025 0.000 0.257 73 K C -0.059 176.558 176.600 0.029 0.000 0.939 73 K CA -0.407 55.876 56.287 -0.006 0.000 0.809 73 K CB 1.925 34.411 32.500 -0.024 0.000 1.121 73 K HN 0.734 nan 8.250 nan 0.000 0.425 74 G N 0.315 109.150 108.800 0.058 0.000 2.531 74 G HA2 0.262 4.237 3.960 0.025 0.000 0.253 74 G HA3 0.262 4.237 3.960 0.025 0.000 0.253 74 G C 0.329 175.344 174.900 0.191 0.000 1.439 74 G CA 0.223 45.413 45.100 0.152 0.000 1.056 74 G HN 0.693 nan 8.290 nan 0.000 0.555 75 S N -2.613 113.274 115.700 0.312 0.000 2.501 75 S HA 0.117 4.601 4.470 0.025 0.000 0.250 75 S C 0.222 174.982 174.600 0.265 0.000 0.959 75 S CA -0.178 58.204 58.200 0.303 0.000 1.250 75 S CB 0.067 63.356 63.200 0.149 0.000 0.933 75 S HN 0.505 nan 8.310 nan 0.000 0.420 76 E N 3.031 123.307 120.200 0.126 0.000 2.414 76 E HA 0.293 4.658 4.350 0.025 0.000 0.263 76 E C -0.170 176.332 176.600 -0.164 0.000 1.000 76 E CA 0.240 56.644 56.400 0.007 0.000 0.914 76 E CB 0.081 29.780 29.700 -0.002 0.000 0.948 76 E HN 0.378 nan 8.360 nan 0.000 0.444 77 N N 0.371 118.989 118.700 -0.136 0.000 2.863 77 N HA -0.221 4.534 4.740 0.025 0.000 0.245 77 N C -1.032 174.326 175.510 -0.254 0.000 1.001 77 N CA 1.215 54.138 53.050 -0.212 0.000 0.901 77 N CB -1.341 36.985 38.487 -0.268 0.000 1.124 77 N HN 0.373 nan 8.380 nan 0.000 0.582 78 Y N 0.686 120.992 120.300 0.011 0.000 2.387 78 Y HA 0.634 5.199 4.550 0.026 0.000 0.330 78 Y C 0.950 176.853 175.900 0.006 0.000 1.133 78 Y CA -0.661 57.444 58.100 0.009 0.000 1.152 78 Y CB 1.018 39.484 38.460 0.009 0.000 1.215 78 Y HN 0.127 nan 8.280 nan 0.000 0.466 79 A N 2.686 125.624 122.820 0.197 0.000 2.425 79 A HA 0.389 4.724 4.320 0.025 0.000 0.249 79 A C -0.663 176.971 177.584 0.082 0.000 1.084 79 A CA -0.515 51.584 52.037 0.103 0.000 0.781 79 A CB 0.022 19.069 19.000 0.079 0.000 1.019 79 A HN 0.727 nan 8.150 nan 0.000 0.490 80 L N 3.043 124.295 121.223 0.049 0.000 2.410 80 L HA 0.509 4.864 4.340 0.025 0.000 0.273 80 L C 0.639 177.517 176.870 0.014 0.000 1.144 80 L CA 1.160 56.015 54.840 0.025 0.000 0.863 80 L CB 0.438 42.503 42.059 0.010 0.000 1.140 80 L HN 0.906 nan 8.230 nan 0.000 0.463 81 T N 0.429 114.986 114.554 0.005 0.000 2.865 81 T HA 0.643 5.008 4.350 0.025 0.000 0.294 81 T C 0.198 174.897 174.700 -0.000 0.000 1.119 81 T CA -0.179 61.925 62.100 0.007 0.000 1.007 81 T CB 1.049 69.924 68.868 0.011 0.000 1.225 81 T HN 0.821 nan 8.240 nan 0.000 0.515 82 T N 0.508 115.073 114.554 0.020 0.000 2.701 82 T HA 0.195 4.560 4.350 0.025 0.000 0.303 82 T C 1.070 175.785 174.700 0.025 0.000 1.030 82 T CA -0.382 61.738 62.100 0.033 0.000 1.010 82 T CB -0.077 68.850 68.868 0.098 0.000 1.007 82 T HN 0.579 nan 8.240 nan 0.000 0.532 83 N N 0.441 119.159 118.700 0.031 0.000 2.459 83 N HA -0.060 4.695 4.740 0.025 0.000 0.181 83 N C 1.615 177.144 175.510 0.032 0.000 1.046 83 N CA 0.586 53.648 53.050 0.019 0.000 0.904 83 N CB -0.167 38.340 38.487 0.034 0.000 0.964 83 N HN 0.572 nan 8.380 nan 0.000 0.444 84 Q N -0.334 119.499 119.800 0.055 0.000 2.365 84 Q HA 0.169 4.524 4.340 0.025 0.000 0.203 84 Q C 0.776 176.799 176.000 0.039 0.000 0.929 84 Q CA 0.219 56.051 55.803 0.048 0.000 0.948 84 Q CB 0.286 29.062 28.738 0.063 0.000 1.043 84 Q HN 0.407 nan 8.270 nan 0.000 0.505 85 G N 0.367 109.187 108.800 0.033 0.000 2.141 85 G HA2 -0.243 3.732 3.960 0.025 0.000 0.242 85 G HA3 -0.243 3.732 3.960 0.025 0.000 0.242 85 G C 0.120 175.045 174.900 0.041 0.000 0.982 85 G CA 0.152 45.266 45.100 0.024 0.000 0.662 85 G HN 0.243 nan 8.290 nan 0.000 0.527 86 V N 1.876 121.831 119.914 0.069 0.000 2.406 86 V HA 0.373 4.507 4.120 0.025 0.000 0.272 86 V C 1.278 177.410 176.094 0.063 0.000 1.043 86 V CA -0.658 61.694 62.300 0.087 0.000 0.915 86 V CB 1.137 33.059 31.823 0.165 0.000 0.988 86 V HN 0.398 nan 8.190 nan 0.000 0.466 87 R N 4.411 124.941 120.500 0.050 0.000 2.570 87 R HA 0.324 4.679 4.340 0.025 0.000 0.277 87 R C -0.538 175.775 176.300 0.022 0.000 1.039 87 R CA 0.005 56.125 56.100 0.034 0.000 1.065 87 R CB 0.476 30.797 30.300 0.034 0.000 0.964 87 R HN 0.570 nan 8.270 nan 0.000 0.428 88 I N 2.059 122.629 120.570 0.001 0.000 2.353 88 I HA 0.120 4.305 4.170 0.025 0.000 0.293 88 I C 0.992 177.097 176.117 -0.019 0.000 0.992 88 I CA 0.022 61.306 61.300 -0.027 0.000 1.268 88 I CB 1.893 39.865 38.000 -0.045 0.000 1.387 88 I HN 0.768 nan 8.210 nan 0.000 0.478 89 A N 4.070 126.876 122.820 -0.024 0.000 1.911 89 A HA -0.004 4.330 4.320 0.025 0.000 0.212 89 A C 0.705 178.274 177.584 -0.026 0.000 1.189 89 A CA 1.000 53.026 52.037 -0.018 0.000 0.639 89 A CB 0.036 19.028 19.000 -0.013 0.000 0.839 89 A HN 0.687 nan 8.150 nan 0.000 0.449 90 D N -0.608 119.768 120.400 -0.040 0.000 2.389 90 D HA 0.295 4.950 4.640 0.025 0.000 0.256 90 D C -1.303 174.964 176.300 -0.054 0.000 1.239 90 D CA -0.385 53.590 54.000 -0.042 0.000 0.925 90 D CB 1.040 41.816 40.800 -0.040 0.000 1.145 90 D HN 0.053 nan 8.370 nan 0.000 0.542 91 D N 1.964 122.335 120.400 -0.048 0.000 2.370 91 D HA 0.046 4.701 4.640 0.025 0.000 0.230 91 D C 0.586 176.854 176.300 -0.054 0.000 1.143 91 D CA 0.325 54.292 54.000 -0.055 0.000 0.834 91 D CB 0.481 41.253 40.800 -0.045 0.000 0.944 91 D HN 0.240 nan 8.370 nan 0.000 0.504 92 Q N -0.664 119.106 119.800 -0.050 0.000 2.214 92 Q HA 0.269 4.624 4.340 0.025 0.000 0.229 92 Q C -0.198 175.772 176.000 -0.050 0.000 0.835 92 Q CA 0.086 55.861 55.803 -0.048 0.000 0.953 92 Q CB 0.834 29.549 28.738 -0.038 0.000 1.131 92 Q HN 0.184 nan 8.270 nan 0.000 0.501 93 N N 0.108 118.776 118.700 -0.053 0.000 2.277 93 N HA 0.321 5.075 4.740 0.025 0.000 0.286 93 N C -1.012 174.462 175.510 -0.059 0.000 1.140 93 N CA -0.256 52.764 53.050 -0.050 0.000 0.799 93 N CB 2.130 40.592 38.487 -0.041 0.000 1.596 93 N HN -0.178 nan 8.380 nan 0.000 0.473 94 S N 0.727 116.396 115.700 -0.053 0.000 2.617 94 S HA 0.327 4.812 4.470 0.025 0.000 0.269 94 S C 0.104 174.678 174.600 -0.044 0.000 1.292 94 S CA -0.597 57.571 58.200 -0.053 0.000 1.010 94 S CB 0.882 64.057 63.200 -0.042 0.000 0.944 94 S HN 0.391 nan 8.310 nan 0.000 0.536 95 L N 3.344 124.541 121.223 -0.043 0.000 2.360 95 L HA 0.413 4.767 4.340 0.025 0.000 0.276 95 L C 0.135 176.996 176.870 -0.014 0.000 1.121 95 L CA 0.415 55.239 54.840 -0.027 0.000 0.845 95 L CB -0.107 41.939 42.059 -0.022 0.000 1.143 95 L HN 0.748 nan 8.230 nan 0.000 0.452 96 R N 4.130 124.624 120.500 -0.010 0.000 2.836 96 R HA 0.864 5.219 4.340 0.025 0.000 0.269 96 R C -1.154 175.145 176.300 -0.001 0.000 1.010 96 R CA -0.861 55.236 56.100 -0.005 0.000 0.930 96 R CB 1.143 31.438 30.300 -0.009 0.000 1.218 96 R HN 0.579 nan 8.270 nan 0.000 0.473 97 A N 1.322 124.143 122.820 0.001 0.000 2.666 97 A HA 0.581 4.916 4.320 0.025 0.000 0.312 97 A C 0.606 178.190 177.584 0.000 0.000 1.471 97 A CA 0.312 52.351 52.037 0.003 0.000 1.134 97 A CB -0.926 18.077 19.000 0.005 0.000 1.129 97 A HN 1.255 nan 8.150 nan 0.000 0.539 98 G N 1.189 109.989 108.800 -0.001 0.000 2.692 98 G HA2 0.037 4.012 3.960 0.025 0.000 0.686 98 G HA3 0.037 4.012 3.960 0.025 0.000 0.686 98 G C 0.670 175.567 174.900 -0.005 0.000 1.243 98 G CA 0.106 45.205 45.100 -0.003 0.000 0.782 98 G HN 1.820 nan 8.290 nan 0.000 0.625 99 S N -0.172 115.524 115.700 -0.006 0.000 2.507 99 S HA -0.013 4.472 4.470 0.025 0.000 0.235 99 S C 1.502 176.096 174.600 -0.010 0.000 0.988 99 S CA 1.403 59.597 58.200 -0.009 0.000 0.944 99 S CB 0.048 63.242 63.200 -0.010 0.000 0.762 99 S HN 0.758 nan 8.310 nan 0.000 0.526 100 R N 0.926 121.421 120.500 -0.008 0.000 2.633 100 R HA 0.365 4.720 4.340 0.025 0.000 0.348 100 R C 0.853 177.149 176.300 -0.006 0.000 1.100 100 R CA 0.034 56.129 56.100 -0.008 0.000 1.068 100 R CB 0.785 31.081 30.300 -0.007 0.000 1.351 100 R HN 0.440 nan 8.270 nan 0.000 0.575 101 G N 1.532 110.329 108.800 -0.006 0.000 2.795 101 G HA2 0.429 4.404 3.960 0.025 0.000 0.267 101 G HA3 0.429 4.404 3.960 0.025 0.000 0.267 101 G C -2.500 172.398 174.900 -0.004 0.000 1.362 101 G CA -1.113 43.984 45.100 -0.004 0.000 1.048 101 G HN -0.106 nan 8.290 nan 0.000 0.547 102 P HA 0.264 nan 4.420 nan 0.000 0.277 102 P C -0.319 176.980 177.300 -0.001 0.000 1.240 102 P CA -0.100 63.000 63.100 -0.001 0.000 0.798 102 P CB 1.018 32.720 31.700 0.002 0.000 0.979 103 T N 2.620 117.173 114.554 -0.002 0.000 2.901 103 T HA 0.244 4.609 4.350 0.025 0.000 0.301 103 T C 0.485 175.189 174.700 0.006 0.000 1.012 103 T CA -0.072 62.027 62.100 -0.002 0.000 1.135 103 T CB -0.057 68.808 68.868 -0.007 0.000 0.936 103 T HN 0.173 nan 8.240 nan 0.000 0.539 104 L N 3.716 124.945 121.223 0.009 0.000 2.334 104 L HA 0.307 4.662 4.340 0.025 0.000 0.277 104 L C 1.436 178.324 176.870 0.030 0.000 1.075 104 L CA -0.789 54.063 54.840 0.020 0.000 0.804 104 L CB 0.872 42.946 42.059 0.024 0.000 1.174 104 L HN 0.516 nan 8.230 nan 0.000 0.438 105 L N 2.398 123.643 121.223 0.036 0.000 2.131 105 L HA -0.200 4.155 4.340 0.025 0.000 0.210 105 L C 2.334 179.247 176.870 0.072 0.000 1.092 105 L CA 1.677 56.545 54.840 0.047 0.000 0.759 105 L CB -0.583 41.500 42.059 0.041 0.000 0.903 105 L HN 0.792 nan 8.230 nan 0.000 0.435 106 E N -1.455 118.792 120.200 0.079 0.000 2.515 106 E HA -0.185 4.179 4.350 0.025 0.000 0.201 106 E C 0.196 176.910 176.600 0.190 0.000 1.071 106 E CA 0.279 56.755 56.400 0.127 0.000 0.880 106 E CB -0.572 29.194 29.700 0.110 0.000 0.828 106 E HN 0.378 nan 8.360 nan 0.000 0.540 107 D N 1.133 121.595 120.400 0.103 0.000 2.498 107 D HA -0.040 4.615 4.640 0.025 0.000 0.229 107 D C 0.350 176.668 176.300 0.029 0.000 1.188 107 D CA -0.483 53.529 54.000 0.020 0.000 1.028 107 D CB -0.185 40.594 40.800 -0.035 0.000 1.087 107 D HN 0.310 nan 8.370 nan 0.000 0.510 108 F N 1.639 121.597 119.950 0.014 0.000 2.456 108 F HA 0.142 4.680 4.527 0.018 0.000 0.298 108 F C 1.638 177.450 175.800 0.021 0.000 1.104 108 F CA -0.061 57.951 58.000 0.019 0.000 1.435 108 F CB -0.613 38.397 39.000 0.018 0.000 1.078 108 F HN 0.156 nan 8.300 nan 0.000 0.546 109 I N 0.416 120.556 120.570 -0.717 0.000 2.233 109 I HA -0.203 3.982 4.170 0.025 0.000 0.243 109 I C 2.488 178.493 176.117 -0.186 0.000 1.093 109 I CA 1.020 62.033 61.300 -0.479 0.000 1.380 109 I CB -0.486 37.173 38.000 -0.569 0.000 1.067 109 I HN 0.266 nan 8.210 nan 0.000 0.413 110 L N 1.167 122.294 121.223 -0.160 0.000 1.970 110 L HA -0.226 4.129 4.340 0.025 0.000 0.212 110 L C 2.663 179.521 176.870 -0.019 0.000 1.071 110 L CA 1.911 56.704 54.840 -0.079 0.000 0.751 110 L CB -0.569 41.452 42.059 -0.063 0.000 0.889 110 L HN 0.059 nan 8.230 nan 0.000 0.432 111 R N -0.587 119.921 120.500 0.013 0.000 2.105 111 R HA -0.203 4.152 4.340 0.025 0.000 0.239 111 R C 2.322 178.677 176.300 0.091 0.000 1.135 111 R CA 1.675 57.813 56.100 0.063 0.000 0.967 111 R CB -0.467 29.887 30.300 0.090 0.000 0.861 111 R HN 0.621 nan 8.270 nan 0.000 0.442 112 E N 1.230 121.487 120.200 0.095 0.000 2.047 112 E HA -0.232 4.133 4.350 0.025 0.000 0.191 112 E C 1.963 178.637 176.600 0.125 0.000 0.987 112 E CA 1.206 57.681 56.400 0.125 0.000 0.799 112 E CB 0.091 29.867 29.700 0.127 0.000 0.752 112 E HN 0.160 nan 8.360 nan 0.000 0.449 113 K N 0.254 120.696 120.400 0.070 0.000 2.026 113 K HA -0.146 4.188 4.320 0.025 0.000 0.208 113 K C 2.116 178.788 176.600 0.120 0.000 1.048 113 K CA 1.492 57.819 56.287 0.066 0.000 0.929 113 K CB -0.037 32.460 32.500 -0.005 0.000 0.713 113 K HN 0.167 nan 8.250 nan 0.000 0.439 114 I N 1.121 121.743 120.570 0.087 0.000 2.439 114 I HA -0.157 4.028 4.170 0.025 0.000 0.251 114 I C 2.108 178.331 176.117 0.177 0.000 1.139 114 I CA 1.205 62.575 61.300 0.116 0.000 1.438 114 I CB -1.330 36.700 38.000 0.049 0.000 1.085 114 I HN 0.232 nan 8.210 nan 0.000 0.427 115 T N -0.247 114.403 114.554 0.159 0.000 2.746 115 T HA -0.220 4.145 4.350 0.025 0.000 0.267 115 T C 1.963 176.790 174.700 0.212 0.000 1.039 115 T CA 1.415 63.627 62.100 0.185 0.000 1.142 115 T CB -0.383 68.608 68.868 0.204 0.000 0.866 115 T HN 0.342 nan 8.240 nan 0.000 0.444 116 H N -0.194 118.967 119.070 0.151 0.000 2.357 116 H HA -0.033 4.537 4.556 0.025 0.000 0.301 116 H C 2.181 177.563 175.328 0.090 0.000 1.082 116 H CA 1.323 57.447 56.048 0.127 0.000 1.342 116 H CB -0.399 29.419 29.762 0.093 0.000 1.389 116 H HN 0.390 nan 8.280 nan 0.000 0.511 117 F N 2.097 122.108 119.950 0.102 0.000 2.091 117 F HA -0.226 4.313 4.527 0.020 0.000 0.299 117 F C 1.909 177.652 175.800 -0.095 0.000 1.103 117 F CA 1.899 59.904 58.000 0.008 0.000 1.228 117 F CB -0.283 38.715 39.000 -0.002 0.000 0.984 117 F HN 0.074 nan 8.300 nan 0.000 0.477 118 D N -1.369 118.946 120.400 -0.142 0.000 2.310 118 D HA -0.117 4.538 4.640 0.025 0.000 0.212 118 D C 1.093 176.989 176.300 -0.674 0.000 0.965 118 D CA 1.087 54.836 54.000 -0.418 0.000 0.879 118 D CB -0.344 40.188 40.800 -0.446 0.000 0.921 118 D HN 0.484 nan 8.370 nan 0.000 0.510 119 H N -0.433 118.520 119.070 -0.194 0.000 2.510 119 H HA 0.229 4.796 4.556 0.018 0.000 0.266 119 H C 0.956 176.122 175.328 -0.269 0.000 1.146 119 H CA -0.128 55.800 56.048 -0.201 0.000 0.993 119 H CB 0.488 30.148 29.762 -0.170 0.000 1.727 119 H HN 0.250 nan 8.280 nan 0.000 0.590 120 E N 0.617 120.655 120.200 -0.269 0.000 2.150 120 E HA -0.038 4.326 4.350 0.025 0.000 0.193 120 E C 0.489 176.934 176.600 -0.258 0.000 0.985 120 E CA 0.536 56.749 56.400 -0.312 0.000 0.814 120 E CB 0.480 29.965 29.700 -0.358 0.000 0.752 120 E HN 0.152 nan 8.360 nan 0.000 0.466 121 R N 1.145 121.555 120.500 -0.150 0.000 2.410 121 R HA 0.364 4.718 4.340 0.025 0.000 0.288 121 R C 0.419 176.759 176.300 0.066 0.000 1.051 121 R CA -0.259 55.824 56.100 -0.028 0.000 1.021 121 R CB 0.781 31.056 30.300 -0.040 0.000 1.032 121 R HN 0.157 nan 8.270 nan 0.000 0.481 122 I N -1.022 119.652 120.570 0.173 0.000 2.957 122 I HA 0.610 4.795 4.170 0.025 0.000 0.310 122 I C -2.257 173.922 176.117 0.103 0.000 1.063 122 I CA -2.971 58.417 61.300 0.146 0.000 1.033 122 I CB 1.848 39.971 38.000 0.205 0.000 1.230 122 I HN 0.243 nan 8.210 nan 0.000 0.447 123 P HA 0.108 nan 4.420 nan 0.000 0.268 123 P C -0.894 176.436 177.300 0.050 0.000 1.205 123 P CA -0.108 63.020 63.100 0.045 0.000 0.771 123 P CB 0.452 32.168 31.700 0.026 0.000 0.858 124 E N 2.737 122.969 120.200 0.054 0.000 2.369 124 E HA 0.183 4.548 4.350 0.025 0.000 0.255 124 E C -0.461 176.166 176.600 0.044 0.000 1.172 124 E CA -0.816 55.620 56.400 0.061 0.000 0.932 124 E CB 0.582 30.325 29.700 0.070 0.000 1.040 124 E HN 0.253 nan 8.360 nan 0.000 0.454 125 R N 0.532 121.064 120.500 0.054 0.000 2.623 125 R HA 0.006 4.361 4.340 0.025 0.000 0.271 125 R C 1.320 177.655 176.300 0.058 0.000 1.043 125 R CA -0.456 55.673 56.100 0.049 0.000 1.083 125 R CB 0.265 30.612 30.300 0.079 0.000 0.974 125 R HN 0.559 nan 8.270 nan 0.000 0.436 126 I N 1.788 122.387 120.570 0.049 0.000 2.208 126 I HA -0.148 4.037 4.170 0.025 0.000 0.245 126 I C 1.231 177.402 176.117 0.090 0.000 1.097 126 I CA 1.553 62.892 61.300 0.064 0.000 1.363 126 I CB -1.101 36.942 38.000 0.072 0.000 1.051 126 I HN 0.398 nan 8.210 nan 0.000 0.413 127 V N -3.371 116.634 119.914 0.150 0.000 3.102 127 V HA 0.513 4.648 4.120 0.025 0.000 0.312 127 V C 0.402 176.667 176.094 0.284 0.000 1.135 127 V CA -0.866 61.545 62.300 0.184 0.000 1.022 127 V CB 1.759 33.766 31.823 0.307 0.000 1.056 127 V HN 0.436 nan 8.190 nan 0.000 0.436 128 H N 0.199 119.333 119.070 0.107 0.000 2.862 128 H HA -0.222 4.349 4.556 0.024 0.000 0.290 128 H C 1.551 176.926 175.328 0.079 0.000 1.211 128 H CA 0.769 56.872 56.048 0.092 0.000 1.140 128 H CB -1.239 28.564 29.762 0.069 0.000 1.341 128 H HN 1.163 nan 8.280 nan 0.000 0.392 129 A N 0.711 123.621 122.820 0.150 0.000 2.019 129 A HA -0.116 4.219 4.320 0.025 0.000 0.219 129 A C 1.686 179.362 177.584 0.153 0.000 1.164 129 A CA 1.399 53.514 52.037 0.130 0.000 0.644 129 A CB -0.078 18.977 19.000 0.092 0.000 0.805 129 A HN 0.284 nan 8.150 nan 0.000 0.449 130 R N 0.049 120.641 120.500 0.153 0.000 2.229 130 R HA 0.524 4.879 4.340 0.025 0.000 0.328 130 R C -0.221 176.208 176.300 0.216 0.000 1.009 130 R CA 0.659 56.869 56.100 0.184 0.000 0.864 130 R CB 0.500 30.894 30.300 0.155 0.000 1.085 130 R HN 0.322 nan 8.270 nan 0.000 0.453 131 G N 1.103 110.060 108.800 0.261 0.000 2.703 131 G HA2 0.479 4.453 3.960 0.025 0.000 0.294 131 G HA3 0.479 4.453 3.960 0.025 0.000 0.294 131 G C -1.645 173.415 174.900 0.268 0.000 1.451 131 G CA -0.612 44.606 45.100 0.196 0.000 0.869 131 G HN 0.522 nan 8.290 nan 0.000 0.516 132 S N -0.836 114.974 115.700 0.184 0.000 2.521 132 S HA 0.908 5.393 4.470 0.025 0.000 0.295 132 S C -0.071 174.547 174.600 0.030 0.000 1.098 132 S CA -0.225 58.138 58.200 0.271 0.000 0.999 132 S CB 1.829 65.300 63.200 0.452 0.000 1.034 132 S HN 1.578 nan 8.310 nan 0.000 0.483 133 A N 1.427 124.225 122.820 -0.038 0.000 2.469 133 A HA 1.027 5.362 4.320 0.025 0.000 0.299 133 A C -0.949 176.436 177.584 -0.332 0.000 1.098 133 A CA -0.778 51.006 52.037 -0.422 0.000 0.737 133 A CB 1.612 20.177 19.000 -0.725 0.000 1.312 133 A HN 1.368 nan 8.150 nan 0.000 0.414 134 A N 0.521 122.988 122.820 -0.588 0.000 2.604 134 A HA 0.700 5.034 4.320 0.025 0.000 0.295 134 A C -1.136 176.262 177.584 -0.309 0.000 1.067 134 A CA -0.651 51.211 52.037 -0.291 0.000 0.683 134 A CB 0.741 19.660 19.000 -0.136 0.000 1.281 134 A HN 0.876 nan 8.150 nan 0.000 0.407 135 H N -0.145 118.959 119.070 0.056 0.000 2.505 135 H HA 0.655 5.226 4.556 0.024 0.000 0.351 135 H C 0.671 176.001 175.328 0.003 0.000 1.151 135 H CA 1.076 57.207 56.048 0.139 0.000 1.339 135 H CB 1.790 31.625 29.762 0.123 0.000 1.483 135 H HN 1.152 nan 8.280 nan 0.000 0.558 136 G N 1.033 109.928 108.800 0.160 0.000 2.510 136 G HA2 0.336 4.311 3.960 0.025 0.000 0.277 136 G HA3 0.336 4.311 3.960 0.025 0.000 0.277 136 G C -2.005 173.024 174.900 0.215 0.000 1.223 136 G CA -0.615 44.543 45.100 0.097 0.000 0.887 136 G HN 0.622 nan 8.290 nan 0.000 0.485 137 Y N -1.699 118.635 120.300 0.056 0.000 2.597 137 Y HA 0.838 5.402 4.550 0.025 0.000 0.340 137 Y C -1.722 174.316 175.900 0.231 0.000 1.097 137 Y CA -1.931 56.249 58.100 0.133 0.000 1.037 137 Y CB 1.913 40.423 38.460 0.084 0.000 1.305 137 Y HN 0.790 nan 8.280 nan 0.000 0.463 138 F N 2.231 122.330 119.950 0.248 0.000 2.563 138 F HA 0.696 5.238 4.527 0.025 0.000 0.316 138 F C -1.181 174.811 175.800 0.320 0.000 1.076 138 F CA -0.580 57.570 58.000 0.250 0.000 0.921 138 F CB 2.328 41.601 39.000 0.455 0.000 1.209 138 F HN 0.800 nan 8.300 nan 0.000 0.462 139 Q N 6.751 126.028 119.800 -0.873 0.000 2.309 139 Q HA 0.481 4.836 4.340 0.025 0.000 0.273 139 Q C -2.972 172.391 176.000 -1.063 0.000 1.040 139 Q CA -2.379 53.059 55.803 -0.609 0.000 0.834 139 Q CB 3.216 31.864 28.738 -0.150 0.000 1.345 139 Q HN 0.360 nan 8.270 nan 0.000 0.414 140 P HA 0.076 nan 4.420 nan 0.000 0.281 140 P C -0.395 176.742 177.300 -0.271 0.000 1.249 140 P CA 0.005 62.827 63.100 -0.465 0.000 0.810 140 P CB 0.647 32.263 31.700 -0.140 0.000 1.008 141 Y N 0.971 121.204 120.300 -0.112 0.000 2.242 141 Y HA -0.105 4.460 4.550 0.025 0.000 0.291 141 Y C 1.545 177.416 175.900 -0.048 0.000 1.137 141 Y CA 0.681 58.741 58.100 -0.067 0.000 1.181 141 Y CB 0.075 38.505 38.460 -0.051 0.000 0.989 141 Y HN 0.366 nan 8.280 nan 0.000 0.527 142 K N -0.971 119.489 120.400 0.099 0.000 2.555 142 K HA 0.392 4.727 4.320 0.025 0.000 0.279 142 K C -0.889 175.715 176.600 0.007 0.000 0.986 142 K CA -0.941 55.375 56.287 0.048 0.000 0.880 142 K CB 1.597 34.127 32.500 0.049 0.000 1.474 142 K HN -0.239 nan 8.250 nan 0.000 0.433 143 S N 0.889 116.590 115.700 0.002 0.000 2.546 143 S HA 0.104 4.589 4.470 0.025 0.000 0.290 143 S C 0.439 175.027 174.600 -0.019 0.000 1.290 143 S CA -0.481 57.711 58.200 -0.013 0.000 1.069 143 S CB -0.218 62.978 63.200 -0.006 0.000 0.846 143 S HN 0.542 nan 8.310 nan 0.000 0.495 144 L N 4.803 126.004 121.223 -0.038 0.000 2.872 144 L HA 0.125 4.480 4.340 0.025 0.000 0.245 144 L C 2.082 178.935 176.870 -0.028 0.000 1.211 144 L CA 0.019 54.844 54.840 -0.026 0.000 1.013 144 L CB -0.268 41.778 42.059 -0.021 0.000 1.326 144 L HN 0.869 nan 8.230 nan 0.000 0.525 145 S N -1.129 114.552 115.700 -0.031 0.000 2.407 145 S HA -0.245 4.240 4.470 0.025 0.000 0.235 145 S C 1.285 175.869 174.600 -0.028 0.000 1.036 145 S CA 1.610 59.791 58.200 -0.031 0.000 1.013 145 S CB -0.232 62.955 63.200 -0.022 0.000 0.820 145 S HN 0.428 nan 8.310 nan 0.000 0.476 146 D N 1.781 122.170 120.400 -0.018 0.000 2.310 146 D HA 0.035 4.690 4.640 0.025 0.000 0.212 146 D C 1.739 178.024 176.300 -0.025 0.000 0.965 146 D CA 1.349 55.339 54.000 -0.018 0.000 0.879 146 D CB -0.199 40.596 40.800 -0.009 0.000 0.921 146 D HN 0.844 nan 8.370 nan 0.000 0.510 147 I N -4.467 116.088 120.570 -0.024 0.000 4.456 147 I HA 0.238 4.422 4.170 0.025 0.000 0.329 147 I C 0.353 176.432 176.117 -0.064 0.000 1.313 147 I CA -0.111 61.168 61.300 -0.035 0.000 1.205 147 I CB 1.263 39.263 38.000 0.000 0.000 1.179 147 I HN -0.256 nan 8.210 nan 0.000 0.419 148 T N 1.622 116.139 114.554 -0.062 0.000 3.041 148 T HA 0.297 4.662 4.350 0.025 0.000 0.321 148 T C -0.041 174.605 174.700 -0.090 0.000 1.184 148 T CA -0.648 61.396 62.100 -0.094 0.000 1.050 148 T CB 1.773 70.575 68.868 -0.109 0.000 1.159 148 T HN 0.422 nan 8.240 nan 0.000 0.469 149 K N 2.602 122.947 120.400 -0.091 0.000 2.458 149 K HA 0.535 4.870 4.320 0.025 0.000 0.194 149 K C 0.777 177.336 176.600 -0.069 0.000 1.024 149 K CA -0.192 56.053 56.287 -0.070 0.000 1.108 149 K CB 0.161 32.627 32.500 -0.057 0.000 0.846 149 K HN 0.512 nan 8.250 nan 0.000 0.518 150 A N 2.257 125.009 122.820 -0.112 0.000 2.545 150 A HA -0.072 4.263 4.320 0.025 0.000 0.253 150 A C 0.566 178.097 177.584 -0.088 0.000 1.074 150 A CA 0.182 52.153 52.037 -0.109 0.000 0.760 150 A CB -0.013 18.842 19.000 -0.242 0.000 1.005 150 A HN 0.479 nan 8.150 nan 0.000 0.506 151 D N 2.306 122.733 120.400 0.045 0.000 2.144 151 D HA -0.229 4.425 4.640 0.025 0.000 0.199 151 D C 1.356 177.726 176.300 0.117 0.000 0.984 151 D CA 2.213 56.259 54.000 0.076 0.000 0.834 151 D CB -0.235 40.634 40.800 0.115 0.000 0.955 151 D HN 0.741 nan 8.370 nan 0.000 0.465 152 F N -0.591 119.379 119.950 0.032 0.000 2.546 152 F HA 0.130 4.672 4.527 0.025 0.000 0.298 152 F C 1.092 176.979 175.800 0.145 0.000 1.120 152 F CA 0.522 58.581 58.000 0.097 0.000 1.456 152 F CB -0.214 38.836 39.000 0.083 0.000 1.088 152 F HN -0.049 nan 8.300 nan 0.000 0.572 153 L N 0.782 121.720 121.223 -0.474 0.000 2.910 153 L HA 0.199 4.553 4.340 0.025 0.000 0.252 153 L C 1.806 178.586 176.870 -0.149 0.000 1.195 153 L CA 0.358 54.969 54.840 -0.382 0.000 1.003 153 L CB -0.048 41.670 42.059 -0.568 0.000 1.328 153 L HN 0.328 nan 8.230 nan 0.000 0.540 154 S N -2.498 113.158 115.700 -0.073 0.000 2.524 154 S HA 0.062 4.547 4.470 0.025 0.000 0.216 154 S C 0.339 174.935 174.600 -0.008 0.000 0.987 154 S CA -0.129 58.050 58.200 -0.034 0.000 0.909 154 S CB 0.205 63.398 63.200 -0.012 0.000 0.781 154 S HN 0.341 nan 8.310 nan 0.000 0.521 155 D N 0.634 121.038 120.400 0.006 0.000 2.804 155 D HA 0.292 4.947 4.640 0.025 0.000 0.209 155 D C -2.587 173.725 176.300 0.020 0.000 1.314 155 D CA -1.642 52.369 54.000 0.018 0.000 0.894 155 D CB 2.041 42.860 40.800 0.032 0.000 1.615 155 D HN -0.160 nan 8.370 nan 0.000 0.571 156 P HA -0.068 nan 4.420 nan 0.000 0.223 156 P C 0.494 177.807 177.300 0.022 0.000 1.144 156 P CA 0.675 63.783 63.100 0.013 0.000 0.783 156 P CB 0.458 32.178 31.700 0.033 0.000 0.771 157 N N -0.476 118.242 118.700 0.031 0.000 2.336 157 N HA 0.009 4.764 4.740 0.025 0.000 0.189 157 N C 0.628 176.168 175.510 0.049 0.000 1.113 157 N CA 0.213 53.284 53.050 0.035 0.000 0.858 157 N CB 0.093 38.597 38.487 0.029 0.000 0.970 157 N HN 0.249 nan 8.380 nan 0.000 0.471 158 K N 1.783 122.222 120.400 0.066 0.000 2.338 158 K HA 0.169 4.504 4.320 0.025 0.000 0.290 158 K C -0.494 176.197 176.600 0.151 0.000 1.069 158 K CA -0.122 56.229 56.287 0.107 0.000 0.941 158 K CB 0.399 32.976 32.500 0.128 0.000 1.023 158 K HN -0.110 nan 8.250 nan 0.000 0.477 159 I N 3.805 124.467 120.570 0.153 0.000 2.359 159 I HA 0.164 4.349 4.170 0.025 0.000 0.294 159 I C 0.108 176.392 176.117 0.279 0.000 0.987 159 I CA -0.419 61.004 61.300 0.205 0.000 1.225 159 I CB 1.538 39.605 38.000 0.111 0.000 1.366 159 I HN 0.519 nan 8.210 nan 0.000 0.466 160 T N 7.758 122.565 114.554 0.421 0.000 2.770 160 T HA 0.390 4.755 4.350 0.025 0.000 0.283 160 T C -2.476 172.481 174.700 0.428 0.000 0.988 160 T CA -1.354 61.017 62.100 0.452 0.000 0.957 160 T CB 1.781 71.020 68.868 0.619 0.000 0.930 160 T HN 0.278 nan 8.240 nan 0.000 0.443 161 P HA 0.309 nan 4.420 nan 0.000 0.271 161 P C -0.666 176.867 177.300 0.389 0.000 1.218 161 P CA -0.479 62.818 63.100 0.329 0.000 0.780 161 P CB 0.614 32.443 31.700 0.214 0.000 0.901 162 V N -0.100 119.984 119.914 0.284 0.000 3.001 162 V HA 0.731 4.866 4.120 0.025 0.000 0.314 162 V C -1.299 174.948 176.094 0.255 0.000 1.099 162 V CA -0.952 61.416 62.300 0.112 0.000 0.989 162 V CB 2.179 33.858 31.823 -0.241 0.000 1.040 162 V HN 0.312 nan 8.190 nan 0.000 0.434 163 F N 2.147 122.072 119.950 -0.042 0.000 2.529 163 F HA 0.853 5.395 4.527 0.025 0.000 0.320 163 F C -0.848 174.835 175.800 -0.196 0.000 1.118 163 F CA -0.880 57.030 58.000 -0.150 0.000 0.915 163 F CB 2.028 40.962 39.000 -0.110 0.000 1.161 163 F HN 0.518 nan 8.300 nan 0.000 0.445 164 V N 6.626 126.068 119.914 -0.787 0.000 2.540 164 V HA 0.555 4.690 4.120 0.025 0.000 0.302 164 V C -0.653 174.758 176.094 -1.137 0.000 1.035 164 V CA -0.840 60.923 62.300 -0.895 0.000 0.873 164 V CB 1.925 33.159 31.823 -0.982 0.000 0.992 164 V HN 0.748 nan 8.190 nan 0.000 0.428 165 R N 3.444 123.286 120.500 -1.097 0.000 2.494 165 R HA 0.671 5.026 4.340 0.025 0.000 0.305 165 R C -1.578 174.100 176.300 -1.037 0.000 0.959 165 R CA -0.409 55.136 56.100 -0.925 0.000 0.864 165 R CB 1.225 31.152 30.300 -0.621 0.000 1.159 165 R HN 0.555 nan 8.270 nan 0.000 0.446 166 F N 1.620 121.144 119.950 -0.711 0.000 2.470 166 F HA 0.539 5.081 4.527 0.025 0.000 0.329 166 F C 0.315 175.742 175.800 -0.621 0.000 1.072 166 F CA -0.303 57.157 58.000 -0.900 0.000 0.989 166 F CB 2.251 40.222 39.000 -1.715 0.000 1.193 166 F HN 0.604 nan 8.300 nan 0.000 0.481 167 S N -1.155 114.465 115.700 -0.134 0.000 2.588 167 S HA 0.604 5.089 4.470 0.025 0.000 0.269 167 S C -0.596 174.146 174.600 0.235 0.000 1.157 167 S CA -0.926 57.345 58.200 0.118 0.000 0.824 167 S CB 1.342 64.664 63.200 0.204 0.000 1.126 167 S HN 0.742 nan 8.310 nan 0.000 0.464 168 T N -1.444 113.248 114.554 0.231 0.000 2.865 168 T HA 0.675 5.040 4.350 0.025 0.000 0.302 168 T C 0.823 175.497 174.700 -0.043 0.000 1.078 168 T CA -0.067 62.126 62.100 0.156 0.000 0.942 168 T CB 0.263 69.228 68.868 0.162 0.000 1.387 168 T HN 0.613 nan 8.240 nan 0.000 0.557 169 V N -0.121 119.724 119.914 -0.114 0.000 2.948 169 V HA 0.134 4.269 4.120 0.025 0.000 0.234 169 V C 2.755 178.772 176.094 -0.129 0.000 1.205 169 V CA 0.350 62.455 62.300 -0.326 0.000 1.234 169 V CB -0.376 31.341 31.823 -0.175 0.000 1.020 169 V HN 0.871 nan 8.190 nan 0.000 0.491 170 Q N 1.024 120.787 119.800 -0.062 0.000 2.123 170 Q HA 0.074 4.429 4.340 0.025 0.000 0.196 170 Q C 1.254 177.230 176.000 -0.040 0.000 0.958 170 Q CA 1.312 57.076 55.803 -0.065 0.000 0.841 170 Q CB -0.107 28.579 28.738 -0.087 0.000 0.915 170 Q HN 0.591 nan 8.270 nan 0.000 0.455 171 G N -0.178 108.614 108.800 -0.013 0.000 2.572 171 G HA2 0.407 4.382 3.960 0.025 0.000 0.261 171 G HA3 0.407 4.382 3.960 0.025 0.000 0.261 171 G C 0.105 175.013 174.900 0.014 0.000 1.197 171 G CA 0.035 45.132 45.100 -0.005 0.000 0.870 171 G HN 0.324 nan 8.290 nan 0.000 0.548 172 G N -1.147 107.657 108.800 0.007 0.000 2.684 172 G HA2 0.463 4.438 3.960 0.025 0.000 0.255 172 G HA3 0.463 4.438 3.960 0.025 0.000 0.255 172 G C 1.347 176.279 174.900 0.054 0.000 1.219 172 G CA 0.447 45.562 45.100 0.024 0.000 0.901 172 G HN 1.089 nan 8.290 nan 0.000 0.548 173 A N -0.577 122.286 122.820 0.072 0.000 2.070 173 A HA 0.119 4.454 4.320 0.025 0.000 0.220 173 A C 2.201 179.828 177.584 0.072 0.000 1.159 173 A CA 1.969 54.069 52.037 0.105 0.000 0.656 173 A CB -0.331 18.750 19.000 0.134 0.000 0.800 173 A HN 1.142 nan 8.150 nan 0.000 0.453 174 G N -0.220 108.602 108.800 0.037 0.000 3.434 174 G HA2 0.342 4.317 3.960 0.025 0.000 0.258 174 G HA3 0.342 4.317 3.960 0.025 0.000 0.258 174 G C 0.674 175.578 174.900 0.006 0.000 1.128 174 G CA 0.646 45.752 45.100 0.010 0.000 0.792 174 G HN 0.644 nan 8.290 nan 0.000 0.539 175 S N -0.199 115.513 115.700 0.020 0.000 2.661 175 S HA 0.748 5.233 4.470 0.025 0.000 0.265 175 S C 0.420 175.037 174.600 0.027 0.000 1.225 175 S CA -0.071 58.138 58.200 0.015 0.000 0.986 175 S CB 1.589 64.799 63.200 0.017 0.000 1.008 175 S HN 0.562 nan 8.310 nan 0.000 0.565 176 A N -0.018 122.815 122.820 0.021 0.000 2.293 176 A HA 0.499 4.834 4.320 0.025 0.000 0.302 176 A C 0.514 178.124 177.584 0.044 0.000 1.119 176 A CA -0.661 51.386 52.037 0.015 0.000 0.823 176 A CB 0.121 19.112 19.000 -0.014 0.000 1.097 176 A HN 0.840 nan 8.150 nan 0.000 0.491 177 D N 0.460 120.877 120.400 0.029 0.000 2.137 177 D HA -0.063 4.592 4.640 0.025 0.000 0.202 177 D C 1.600 177.898 176.300 -0.003 0.000 0.970 177 D CA 2.257 56.291 54.000 0.057 0.000 0.837 177 D CB -0.190 40.600 40.800 -0.017 0.000 0.981 177 D HN 0.670 nan 8.370 nan 0.000 0.475 178 T N -0.182 114.290 114.554 -0.136 0.000 3.332 178 T HA 0.283 4.648 4.350 0.025 0.000 0.246 178 T C 0.870 175.571 174.700 0.002 0.000 0.943 178 T CA -0.562 61.453 62.100 -0.141 0.000 0.922 178 T CB -0.950 67.746 68.868 -0.288 0.000 1.086 178 T HN -0.071 nan 8.240 nan 0.000 0.590 179 V N -1.234 118.729 119.914 0.081 0.000 3.503 179 V HA 0.429 4.564 4.120 0.025 0.000 0.300 179 V C 0.675 176.918 176.094 0.248 0.000 1.099 179 V CA -1.366 61.029 62.300 0.158 0.000 1.117 179 V CB 0.374 32.276 31.823 0.131 0.000 1.122 179 V HN 0.552 nan 8.190 nan 0.000 0.476 180 R N 1.477 122.170 120.500 0.321 0.000 2.202 180 R HA 0.496 4.851 4.340 0.025 0.000 0.334 180 R C -0.984 175.395 176.300 0.132 0.000 1.036 180 R CA -0.119 56.120 56.100 0.233 0.000 0.878 180 R CB 0.217 30.583 30.300 0.110 0.000 1.067 180 R HN 1.068 nan 8.270 nan 0.000 0.457 181 D N 3.211 123.701 120.400 0.151 0.000 2.725 181 D HA 0.177 4.832 4.640 0.025 0.000 0.292 181 D C -0.613 175.800 176.300 0.188 0.000 1.288 181 D CA -0.606 53.472 54.000 0.130 0.000 0.784 181 D CB 1.190 42.059 40.800 0.114 0.000 1.308 181 D HN 0.222 nan 8.370 nan 0.000 0.429 182 I N 1.272 121.971 120.570 0.216 0.000 2.882 182 I HA 0.234 4.419 4.170 0.025 0.000 0.286 182 I C 0.859 177.116 176.117 0.233 0.000 1.139 182 I CA -0.063 61.378 61.300 0.235 0.000 1.379 182 I CB 0.045 38.217 38.000 0.287 0.000 1.410 182 I HN 0.239 nan 8.210 nan 0.000 0.594 183 R N 2.683 123.343 120.500 0.266 0.000 2.589 183 R HA 0.549 4.904 4.340 0.025 0.000 0.293 183 R C -0.045 176.446 176.300 0.319 0.000 0.963 183 R CA -0.756 55.519 56.100 0.291 0.000 0.905 183 R CB 1.432 31.924 30.300 0.319 0.000 1.144 183 R HN 0.807 nan 8.270 nan 0.000 0.459 184 G N 1.070 110.076 108.800 0.343 0.000 2.420 184 G HA2 0.459 4.434 3.960 0.025 0.000 0.284 184 G HA3 0.459 4.434 3.960 0.025 0.000 0.284 184 G C -1.258 173.723 174.900 0.136 0.000 1.177 184 G CA -0.049 45.216 45.100 0.275 0.000 0.841 184 G HN 0.357 nan 8.290 nan 0.000 0.527 185 F N 1.950 121.798 119.950 -0.169 0.000 2.902 185 F HA 0.646 5.188 4.527 0.025 0.000 0.368 185 F C -0.280 175.212 175.800 -0.514 0.000 1.202 185 F CA -1.871 55.916 58.000 -0.355 0.000 1.109 185 F CB 1.105 40.021 39.000 -0.139 0.000 1.418 185 F HN 0.671 nan 8.300 nan 0.000 0.527 186 A N 3.497 126.047 122.820 -0.450 0.000 2.318 186 A HA 0.798 5.133 4.320 0.025 0.000 0.324 186 A C -0.699 176.448 177.584 -0.728 0.000 1.170 186 A CA -0.477 51.133 52.037 -0.711 0.000 0.810 186 A CB 0.941 19.132 19.000 -1.347 0.000 1.198 186 A HN 0.557 nan 8.150 nan 0.000 0.484 187 T N 2.251 116.531 114.554 -0.458 0.000 2.809 187 T HA 0.380 4.745 4.350 0.025 0.000 0.284 187 T C -0.381 174.121 174.700 -0.330 0.000 0.992 187 T CA -0.463 61.367 62.100 -0.450 0.000 0.957 187 T CB 1.050 69.587 68.868 -0.551 0.000 0.942 187 T HN 0.628 nan 8.240 nan 0.000 0.439 188 K N 3.584 123.872 120.400 -0.188 0.000 2.264 188 K HA 0.440 4.775 4.320 0.025 0.000 0.277 188 K C -1.268 174.991 176.600 -0.568 0.000 1.067 188 K CA -0.566 55.525 56.287 -0.327 0.000 0.900 188 K CB 0.289 32.548 32.500 -0.402 0.000 1.124 188 K HN 0.397 nan 8.250 nan 0.000 0.469 189 F N 4.224 123.871 119.950 -0.506 0.000 2.391 189 F HA 0.234 4.775 4.527 0.025 0.000 0.359 189 F C -0.395 175.189 175.800 -0.360 0.000 1.122 189 F CA -0.587 57.180 58.000 -0.389 0.000 1.120 189 F CB 0.741 39.417 39.000 -0.539 0.000 1.142 189 F HN 0.452 nan 8.300 nan 0.000 0.483 190 Y N 1.928 122.287 120.300 0.098 0.000 2.632 190 Y HA 0.200 4.765 4.550 0.024 0.000 0.336 190 Y C 1.049 177.007 175.900 0.097 0.000 1.237 190 Y CA -0.802 57.338 58.100 0.066 0.000 1.595 190 Y CB -0.271 38.218 38.460 0.047 0.000 1.508 190 Y HN 0.527 nan 8.280 nan 0.000 0.480 191 T N -2.561 112.090 114.554 0.161 0.000 2.847 191 T HA 0.172 4.536 4.350 0.025 0.000 0.279 191 T C 1.016 175.811 174.700 0.158 0.000 0.984 191 T CA -0.701 61.500 62.100 0.169 0.000 0.988 191 T CB 1.098 70.040 68.868 0.123 0.000 1.040 191 T HN 0.632 nan 8.240 nan 0.000 0.528 192 E N 0.063 120.360 120.200 0.162 0.000 2.418 192 E HA -0.046 4.319 4.350 0.025 0.000 0.197 192 E C 1.016 177.683 176.600 0.111 0.000 1.026 192 E CA 0.720 57.198 56.400 0.129 0.000 0.862 192 E CB 0.118 29.889 29.700 0.120 0.000 0.799 192 E HN 0.733 nan 8.360 nan 0.000 0.518 193 E N 0.197 120.465 120.200 0.114 0.000 2.651 193 E HA 0.263 4.627 4.350 0.025 0.000 0.208 193 E C 0.130 176.779 176.600 0.082 0.000 0.997 193 E CA -0.224 56.236 56.400 0.098 0.000 1.020 193 E CB 1.252 31.013 29.700 0.102 0.000 1.052 193 E HN 0.182 nan 8.360 nan 0.000 0.465 194 G N 1.139 109.983 108.800 0.073 0.000 2.392 194 G HA2 -0.117 3.858 3.960 0.025 0.000 0.677 194 G HA3 -0.117 3.858 3.960 0.025 0.000 0.677 194 G C -0.914 173.997 174.900 0.018 0.000 1.334 194 G CA -1.126 43.994 45.100 0.033 0.000 0.961 194 G HN 0.021 nan 8.290 nan 0.000 0.616 195 I N 0.711 121.257 120.570 -0.040 0.000 2.556 195 I HA 0.382 4.566 4.170 0.025 0.000 0.284 195 I C 0.177 176.309 176.117 0.025 0.000 1.114 195 I CA -0.072 61.179 61.300 -0.082 0.000 1.418 195 I CB 0.690 38.576 38.000 -0.190 0.000 1.394 195 I HN 0.466 nan 8.210 nan 0.000 0.552 196 F N 6.751 126.597 119.950 -0.174 0.000 2.426 196 F HA 0.443 4.985 4.527 0.025 0.000 0.348 196 F C -0.496 175.265 175.800 -0.065 0.000 1.124 196 F CA -1.247 56.649 58.000 -0.173 0.000 1.008 196 F CB 0.790 39.522 39.000 -0.447 0.000 1.139 196 F HN 0.351 nan 8.300 nan 0.000 0.452 197 D N 6.936 127.156 120.400 -0.301 0.000 2.280 197 D HA 0.258 4.913 4.640 0.025 0.000 0.236 197 D C -0.699 175.126 176.300 -0.791 0.000 1.082 197 D CA 0.025 53.778 54.000 -0.411 0.000 0.834 197 D CB 2.256 43.012 40.800 -0.074 0.000 1.100 197 D HN 0.624 nan 8.370 nan 0.000 0.486 198 L N 3.145 123.855 121.223 -0.855 0.000 2.264 198 L HA 0.292 4.647 4.340 0.025 0.000 0.287 198 L C -0.943 175.696 176.870 -0.385 0.000 1.039 198 L CA -0.631 53.777 54.840 -0.720 0.000 0.829 198 L CB 0.805 42.448 42.059 -0.693 0.000 1.211 198 L HN 0.054 nan 8.230 nan 0.000 0.427 199 V N 5.495 125.225 119.914 -0.306 0.000 2.259 199 V HA 0.513 4.648 4.120 0.025 0.000 0.267 199 V C 0.754 176.741 176.094 -0.178 0.000 1.051 199 V CA -0.282 61.849 62.300 -0.283 0.000 0.830 199 V CB 0.555 32.169 31.823 -0.348 0.000 1.080 199 V HN 0.831 nan 8.190 nan 0.000 0.467 200 G N 3.227 111.939 108.800 -0.146 0.000 2.932 200 G HA2 0.663 4.637 3.960 0.025 0.000 0.283 200 G HA3 0.663 4.637 3.960 0.025 0.000 0.283 200 G C -0.876 174.043 174.900 0.033 0.000 1.336 200 G CA -0.589 44.481 45.100 -0.050 0.000 1.056 200 G HN 0.472 nan 8.290 nan 0.000 0.522 201 N N -1.047 117.719 118.700 0.109 0.000 2.966 201 N HA 0.249 5.003 4.740 0.025 0.000 0.314 201 N C 0.319 176.015 175.510 0.309 0.000 1.397 201 N CA -0.735 52.440 53.050 0.208 0.000 0.776 201 N CB 1.338 39.928 38.487 0.172 0.000 1.576 201 N HN 0.527 nan 8.380 nan 0.000 0.592 202 N N -1.306 117.594 118.700 0.334 0.000 2.268 202 N HA -0.000 4.755 4.740 0.025 0.000 0.204 202 N C -0.433 175.341 175.510 0.440 0.000 1.124 202 N CA -0.093 53.220 53.050 0.438 0.000 0.838 202 N CB -0.148 38.568 38.487 0.382 0.000 0.994 202 N HN 0.547 nan 8.380 nan 0.000 0.489 203 T N -3.650 110.953 114.554 0.082 0.000 2.906 203 T HA 0.479 4.844 4.350 0.025 0.000 0.295 203 T C -2.661 171.352 174.700 -1.145 0.000 1.075 203 T CA -1.620 60.048 62.100 -0.719 0.000 1.005 203 T CB 2.919 71.285 68.868 -0.836 0.000 1.136 203 T HN -0.232 nan 8.240 nan 0.000 0.498 204 P HA 0.237 nan 4.420 nan 0.000 0.257 204 P C 0.272 177.056 177.300 -0.861 0.000 1.281 204 P CA -0.020 62.212 63.100 -1.446 0.000 0.826 204 P CB -0.131 30.690 31.700 -1.465 0.000 1.237 205 I N -4.364 115.671 120.570 -0.891 0.000 3.354 205 I HA 0.576 4.761 4.170 0.025 0.000 0.316 205 I C -1.513 174.328 176.117 -0.461 0.000 1.182 205 I CA -1.962 58.959 61.300 -0.632 0.000 0.942 205 I CB 1.415 38.995 38.000 -0.701 0.000 1.299 205 I HN -0.217 nan 8.210 nan 0.000 0.473 206 F N -0.020 119.626 119.950 -0.506 0.000 2.654 206 F HA 0.526 5.068 4.527 0.025 0.000 0.334 206 F C 0.129 175.656 175.800 -0.456 0.000 1.078 206 F CA -0.759 56.974 58.000 -0.445 0.000 0.986 206 F CB 2.002 40.877 39.000 -0.207 0.000 1.362 206 F HN 0.362 nan 8.300 nan 0.000 0.498 207 F N 2.172 121.270 119.950 -1.419 0.000 2.325 207 F HA 0.077 4.619 4.527 0.025 0.000 0.299 207 F C 0.634 176.114 175.800 -0.532 0.000 1.090 207 F CA 0.815 58.207 58.000 -1.014 0.000 1.392 207 F CB -0.093 37.902 39.000 -1.674 0.000 1.053 207 F HN 0.144 nan 8.300 nan 0.000 0.521 208 I N -3.539 116.972 120.570 -0.099 0.000 3.042 208 I HA 0.374 4.559 4.170 0.025 0.000 0.310 208 I C 0.375 176.630 176.117 0.231 0.000 1.117 208 I CA -0.849 60.525 61.300 0.123 0.000 1.003 208 I CB 1.904 40.045 38.000 0.236 0.000 1.228 208 I HN -0.181 nan 8.210 nan 0.000 0.443 209 Q N 0.393 120.330 119.800 0.228 0.000 2.259 209 Q HA 0.123 4.478 4.340 0.025 0.000 0.201 209 Q C -0.235 175.938 176.000 0.289 0.000 0.938 209 Q CA 0.773 56.754 55.803 0.298 0.000 0.872 209 Q CB 0.425 29.404 28.738 0.402 0.000 0.971 209 Q HN 0.647 nan 8.270 nan 0.000 0.494 210 D N -1.157 119.384 120.400 0.235 0.000 2.505 210 D HA 0.300 4.955 4.640 0.025 0.000 0.249 210 D C -0.011 176.418 176.300 0.215 0.000 1.082 210 D CA -0.191 53.919 54.000 0.183 0.000 0.839 210 D CB 1.839 42.718 40.800 0.131 0.000 1.317 210 D HN 0.061 nan 8.370 nan 0.000 0.497 211 A N 3.440 126.359 122.820 0.166 0.000 2.024 211 A HA -0.248 4.087 4.320 0.025 0.000 0.220 211 A C 1.788 179.499 177.584 0.212 0.000 1.164 211 A CA 1.700 53.835 52.037 0.164 0.000 0.643 211 A CB -0.756 18.281 19.000 0.061 0.000 0.806 211 A HN 0.817 nan 8.150 nan 0.000 0.451 212 H N 0.102 119.235 119.070 0.106 0.000 2.457 212 H HA -0.034 4.537 4.556 0.025 0.000 0.297 212 H C 1.579 176.986 175.328 0.133 0.000 1.092 212 H CA 1.933 58.035 56.048 0.090 0.000 1.309 212 H CB 0.022 29.811 29.762 0.045 0.000 1.382 212 H HN 0.431 nan 8.280 nan 0.000 0.535 213 K N -0.625 119.895 120.400 0.200 0.000 2.444 213 K HA -0.044 4.291 4.320 0.025 0.000 0.193 213 K C 1.403 178.139 176.600 0.226 0.000 1.024 213 K CA 0.069 56.472 56.287 0.193 0.000 1.077 213 K CB 0.036 32.706 32.500 0.284 0.000 0.833 213 K HN 0.304 nan 8.250 nan 0.000 0.517 214 F N 2.751 122.757 119.950 0.094 0.000 2.134 214 F HA -0.120 4.421 4.527 0.024 0.000 0.299 214 F C -1.028 174.789 175.800 0.029 0.000 1.097 214 F CA 1.129 59.216 58.000 0.145 0.000 1.264 214 F CB -0.307 38.766 39.000 0.122 0.000 1.001 214 F HN 0.013 nan 8.300 nan 0.000 0.479 215 P HA -0.111 nan 4.420 nan 0.000 0.221 215 P C 0.933 177.915 177.300 -0.529 0.000 1.150 215 P CA 1.489 64.348 63.100 -0.401 0.000 0.800 215 P CB -0.024 31.454 31.700 -0.370 0.000 0.787 216 D N -1.272 118.962 120.400 -0.276 0.000 2.091 216 D HA -0.135 4.520 4.640 0.025 0.000 0.199 216 D C 1.796 177.803 176.300 -0.488 0.000 0.980 216 D CA 1.008 54.883 54.000 -0.209 0.000 0.831 216 D CB -0.826 40.030 40.800 0.093 0.000 0.987 216 D HN 0.140 nan 8.370 nan 0.000 0.460 217 F N 1.920 121.465 119.950 -0.676 0.000 2.095 217 F HA -0.245 4.296 4.527 0.025 0.000 0.298 217 F C 2.277 177.684 175.800 -0.655 0.000 1.104 217 F CA 1.236 58.644 58.000 -0.986 0.000 1.232 217 F CB -0.151 38.510 39.000 -0.566 0.000 0.987 217 F HN -0.246 nan 8.300 nan 0.000 0.475 218 V N 0.131 119.622 119.914 -0.705 0.000 2.358 218 V HA -0.324 3.811 4.120 0.025 0.000 0.246 218 V C 2.241 178.099 176.094 -0.394 0.000 1.047 218 V CA 2.368 64.278 62.300 -0.651 0.000 1.035 218 V CB -1.060 30.407 31.823 -0.593 0.000 0.658 218 V HN 0.471 nan 8.190 nan 0.000 0.452 219 H N -0.109 118.719 119.070 -0.403 0.000 2.387 219 H HA -0.158 4.413 4.556 0.025 0.000 0.299 219 H C 2.341 177.508 175.328 -0.268 0.000 1.099 219 H CA 1.095 56.987 56.048 -0.260 0.000 1.315 219 H CB 0.023 29.687 29.762 -0.165 0.000 1.380 219 H HN 0.487 nan 8.280 nan 0.000 0.513 220 A N 0.406 123.039 122.820 -0.311 0.000 1.933 220 A HA -0.118 4.216 4.320 0.025 0.000 0.218 220 A C 2.494 179.915 177.584 -0.271 0.000 1.175 220 A CA 1.496 53.348 52.037 -0.308 0.000 0.628 220 A CB -0.659 18.029 19.000 -0.519 0.000 0.814 220 A HN 0.312 nan 8.150 nan 0.000 0.444 221 V N -0.439 119.185 119.914 -0.484 0.000 2.878 221 V HA 0.032 4.166 4.120 0.025 0.000 0.250 221 V C 0.826 176.872 176.094 -0.080 0.000 1.075 221 V CA 0.654 62.752 62.300 -0.337 0.000 1.096 221 V CB -0.445 30.975 31.823 -0.672 0.000 0.724 221 V HN 0.320 nan 8.190 nan 0.000 0.467 222 K N 1.175 121.496 120.400 -0.133 0.000 2.187 222 K HA 0.239 4.574 4.320 0.025 0.000 0.247 222 K C -2.312 174.239 176.600 -0.081 0.000 1.019 222 K CA -1.696 54.532 56.287 -0.098 0.000 0.893 222 K CB -0.266 32.168 32.500 -0.110 0.000 1.025 222 K HN 0.158 nan 8.250 nan 0.000 0.500 223 P HA -0.034 nan 4.420 nan 0.000 0.265 223 P C -0.483 176.756 177.300 -0.101 0.000 1.187 223 P CA 0.442 63.408 63.100 -0.223 0.000 0.766 223 P CB 0.344 31.918 31.700 -0.211 0.000 0.820 224 E N 4.831 125.013 120.200 -0.030 0.000 2.383 224 E HA 0.014 4.379 4.350 0.025 0.000 0.264 224 E C -1.313 175.369 176.600 0.136 0.000 1.050 224 E CA -1.355 55.142 56.400 0.161 0.000 0.896 224 E CB 0.183 30.120 29.700 0.395 0.000 0.982 224 E HN 0.426 nan 8.360 nan 0.000 0.424 225 P HA -0.167 nan 4.420 nan 0.000 0.224 225 P C 0.972 178.355 177.300 0.138 0.000 1.157 225 P CA 1.216 64.366 63.100 0.084 0.000 0.799 225 P CB 0.098 31.818 31.700 0.034 0.000 0.809 226 H N -0.492 118.621 119.070 0.072 0.000 2.326 226 H HA -0.086 4.485 4.556 0.025 0.000 0.301 226 H C 1.523 176.954 175.328 0.173 0.000 1.081 226 H CA 1.461 57.541 56.048 0.052 0.000 1.334 226 H CB -1.379 28.345 29.762 -0.063 0.000 1.385 226 H HN 0.302 nan 8.280 nan 0.000 0.504 227 W N 0.137 121.065 121.300 -0.620 0.000 2.871 227 W HA 0.688 5.362 4.660 0.024 0.000 0.340 227 W C 0.437 176.790 176.519 -0.277 0.000 1.058 227 W CA -0.960 56.143 57.345 -0.403 0.000 1.633 227 W CB -0.708 28.488 29.460 -0.441 0.000 1.067 227 W HN 0.436 nan 8.180 nan 0.000 0.554 228 A N 1.403 124.188 122.820 -0.057 0.000 2.578 228 A HA -0.129 4.206 4.320 0.025 0.000 0.298 228 A C -0.458 176.885 177.584 -0.401 0.000 1.472 228 A CA 1.425 53.353 52.037 -0.183 0.000 0.734 228 A CB -2.398 16.526 19.000 -0.126 0.000 1.091 228 A HN 0.467 nan 8.150 nan 0.000 0.426 229 I N 0.668 120.854 120.570 -0.641 0.000 2.686 229 I HA 0.559 4.744 4.170 0.025 0.000 0.295 229 I C -2.514 173.271 176.117 -0.553 0.000 1.114 229 I CA -2.318 58.510 61.300 -0.787 0.000 1.038 229 I CB 3.077 40.093 38.000 -1.640 0.000 1.238 229 I HN 0.235 nan 8.210 nan 0.000 0.420 230 P HA 0.312 nan 4.420 nan 0.000 0.292 230 P C -1.610 175.522 177.300 -0.280 0.000 1.300 230 P CA -0.847 62.027 63.100 -0.377 0.000 0.900 230 P CB 1.799 33.351 31.700 -0.246 0.000 1.139 231 Q N 0.842 120.524 119.800 -0.197 0.000 2.286 231 Q HA 0.482 4.837 4.340 0.025 0.000 0.257 231 Q C 1.084 177.044 176.000 -0.068 0.000 0.941 231 Q CA 1.117 56.843 55.803 -0.127 0.000 0.912 231 Q CB -0.331 28.343 28.738 -0.107 0.000 1.192 231 Q HN 0.828 nan 8.270 nan 0.000 0.410 232 G N 3.230 112.000 108.800 -0.050 0.000 2.147 232 G HA2 -0.268 3.707 3.960 0.025 0.000 0.244 232 G HA3 -0.268 3.707 3.960 0.025 0.000 0.244 232 G C -0.402 174.510 174.900 0.020 0.000 1.005 232 G CA 0.367 45.465 45.100 -0.003 0.000 0.713 232 G HN 0.543 nan 8.290 nan 0.000 0.515 233 Q N -1.006 118.789 119.800 -0.007 0.000 2.309 233 Q HA 0.543 4.898 4.340 0.025 0.000 0.273 233 Q C 0.646 176.646 176.000 0.000 0.000 1.040 233 Q CA -0.124 55.700 55.803 0.034 0.000 0.834 233 Q CB 1.784 30.584 28.738 0.103 0.000 1.345 233 Q HN 0.473 nan 8.270 nan 0.000 0.414 234 S N -0.611 114.986 115.700 -0.171 0.000 2.575 234 S HA 0.227 4.712 4.470 0.025 0.000 0.215 234 S C 0.848 175.369 174.600 -0.132 0.000 0.966 234 S CA -0.037 57.825 58.200 -0.563 0.000 0.911 234 S CB 0.373 62.629 63.200 -1.574 0.000 0.780 234 S HN 0.590 nan 8.310 nan 0.000 0.514 235 A N 2.330 125.271 122.820 0.203 0.000 3.063 235 A HA 0.537 4.871 4.320 0.025 0.000 0.263 235 A C 0.122 177.937 177.584 0.386 0.000 1.736 235 A CA -0.571 51.669 52.037 0.339 0.000 1.408 235 A CB -1.213 17.919 19.000 0.219 0.000 1.108 235 A HN 0.898 nan 8.150 nan 0.000 0.621 236 H N -3.657 115.607 119.070 0.324 0.000 2.967 236 H HA 0.479 5.050 4.556 0.025 0.000 0.318 236 H C -0.274 175.254 175.328 0.332 0.000 1.375 236 H CA -0.729 55.475 56.048 0.260 0.000 1.132 236 H CB 0.209 30.082 29.762 0.185 0.000 1.848 236 H HN 0.058 nan 8.280 nan 0.000 0.524 237 D N 0.095 120.670 120.400 0.292 0.000 2.104 237 D HA -0.191 4.464 4.640 0.025 0.000 0.194 237 D C 2.104 178.467 176.300 0.105 0.000 0.994 237 D CA 3.064 57.169 54.000 0.175 0.000 0.830 237 D CB -0.309 40.572 40.800 0.135 0.000 0.959 237 D HN 0.767 nan 8.370 nan 0.000 0.452 238 T N -1.676 112.933 114.554 0.093 0.000 2.821 238 T HA -0.174 4.191 4.350 0.025 0.000 0.267 238 T C 1.900 176.541 174.700 -0.099 0.000 1.046 238 T CA 0.573 62.696 62.100 0.037 0.000 1.139 238 T CB -0.690 68.249 68.868 0.119 0.000 0.871 238 T HN 0.158 nan 8.240 nan 0.000 0.454 239 F N 0.818 120.464 119.950 -0.506 0.000 2.075 239 F HA 0.070 4.612 4.527 0.025 0.000 0.297 239 F C 1.831 177.388 175.800 -0.405 0.000 1.113 239 F CA 0.828 58.464 58.000 -0.607 0.000 1.218 239 F CB -0.584 37.864 39.000 -0.920 0.000 0.984 239 F HN 0.143 nan 8.300 nan 0.000 0.472 240 W N 0.574 121.792 121.300 -0.136 0.000 2.519 240 W HA -0.062 4.613 4.660 0.025 0.000 0.266 240 W C 2.237 178.671 176.519 -0.141 0.000 1.253 240 W CA 0.969 58.226 57.345 -0.147 0.000 1.274 240 W CB -0.538 28.931 29.460 0.016 0.000 1.114 240 W HN 0.090 nan 8.180 nan 0.000 0.596 241 D N -0.710 119.729 120.400 0.065 0.000 2.097 241 D HA -0.281 4.374 4.640 0.025 0.000 0.195 241 D C 1.878 178.182 176.300 0.006 0.000 0.989 241 D CA 1.408 55.432 54.000 0.040 0.000 0.827 241 D CB -0.494 40.339 40.800 0.056 0.000 0.966 241 D HN 0.186 nan 8.370 nan 0.000 0.456 242 Y N 0.506 120.701 120.300 -0.176 0.000 2.097 242 Y HA -0.216 4.349 4.550 0.025 0.000 0.282 242 Y C 2.305 178.075 175.900 -0.217 0.000 1.152 242 Y CA 1.617 59.602 58.100 -0.192 0.000 1.136 242 Y CB -0.482 37.824 38.460 -0.256 0.000 0.975 242 Y HN -0.122 nan 8.280 nan 0.000 0.498 243 V N 0.221 120.020 119.914 -0.192 0.000 2.278 243 V HA -0.387 3.748 4.120 0.025 0.000 0.251 243 V C 2.608 178.646 176.094 -0.093 0.000 1.062 243 V CA 2.399 64.572 62.300 -0.213 0.000 1.038 243 V CB -1.318 30.266 31.823 -0.398 0.000 0.646 243 V HN 0.683 nan 8.190 nan 0.000 0.447 244 S N -0.574 115.112 115.700 -0.023 0.000 2.447 244 S HA -0.034 4.450 4.470 0.025 0.000 0.233 244 S C 1.671 176.243 174.600 -0.047 0.000 1.006 244 S CA 1.288 59.501 58.200 0.021 0.000 0.957 244 S CB -0.389 62.851 63.200 0.066 0.000 0.773 244 S HN 0.564 nan 8.310 nan 0.000 0.507 245 L N -0.019 121.125 121.223 -0.132 0.000 2.640 245 L HA 0.340 4.695 4.340 0.025 0.000 0.230 245 L C 0.430 177.129 176.870 -0.286 0.000 1.123 245 L CA 0.090 54.825 54.840 -0.176 0.000 0.900 245 L CB 0.113 42.067 42.059 -0.175 0.000 1.146 245 L HN 0.255 nan 8.230 nan 0.000 0.484 246 Q N 0.349 119.938 119.800 -0.351 0.000 3.244 246 Q HA 0.233 4.587 4.340 0.025 0.000 0.249 246 Q C -2.007 173.768 176.000 -0.375 0.000 0.951 246 Q CA -1.347 54.200 55.803 -0.427 0.000 0.740 246 Q CB 1.619 29.978 28.738 -0.632 0.000 1.334 246 Q HN -0.007 nan 8.270 nan 0.000 0.448 247 P HA -0.191 nan 4.420 nan 0.000 0.226 247 P C 1.029 178.036 177.300 -0.489 0.000 1.153 247 P CA 0.947 63.812 63.100 -0.391 0.000 0.777 247 P CB 0.269 31.723 31.700 -0.410 0.000 0.794 248 E N 0.846 120.598 120.200 -0.747 0.000 2.219 248 E HA -0.204 4.161 4.350 0.025 0.000 0.198 248 E C 1.473 178.012 176.600 -0.101 0.000 0.998 248 E CA 1.971 58.179 56.400 -0.321 0.000 0.818 248 E CB -1.403 28.174 29.700 -0.205 0.000 0.741 248 E HN 0.274 nan 8.360 nan 0.000 0.477 249 T N -0.566 113.933 114.554 -0.091 0.000 3.007 249 T HA -0.022 4.342 4.350 0.025 0.000 0.270 249 T C 1.936 176.692 174.700 0.093 0.000 1.107 249 T CA 0.634 62.749 62.100 0.025 0.000 1.118 249 T CB -0.334 68.576 68.868 0.070 0.000 0.889 249 T HN 0.158 nan 8.240 nan 0.000 0.506 250 L N -0.052 121.232 121.223 0.101 0.000 2.083 250 L HA -0.060 4.295 4.340 0.025 0.000 0.209 250 L C 2.855 179.890 176.870 0.274 0.000 1.083 250 L CA 1.732 56.709 54.840 0.228 0.000 0.752 250 L CB -0.764 41.450 42.059 0.259 0.000 0.899 250 L HN 0.465 nan 8.230 nan 0.000 0.433 251 H N 0.081 119.196 119.070 0.075 0.000 2.267 251 H HA -0.228 4.343 4.556 0.025 0.000 0.297 251 H C 2.148 177.470 175.328 -0.010 0.000 1.080 251 H CA 1.941 58.029 56.048 0.066 0.000 1.278 251 H CB 0.195 29.960 29.762 0.006 0.000 1.365 251 H HN 0.368 nan 8.280 nan 0.000 0.489 252 N N -0.152 118.352 118.700 -0.326 0.000 2.309 252 N HA -0.122 4.633 4.740 0.025 0.000 0.182 252 N C 1.951 177.275 175.510 -0.310 0.000 1.018 252 N CA 0.661 53.298 53.050 -0.689 0.000 0.876 252 N CB 0.287 37.917 38.487 -1.428 0.000 0.972 252 N HN 0.118 nan 8.380 nan 0.000 0.434 253 V N 1.772 121.728 119.914 0.070 0.000 2.287 253 V HA -0.281 3.854 4.120 0.025 0.000 0.248 253 V C 2.538 178.752 176.094 0.200 0.000 1.053 253 V CA 1.317 63.803 62.300 0.308 0.000 1.027 253 V CB -0.407 31.647 31.823 0.386 0.000 0.646 253 V HN 0.404 nan 8.190 nan 0.000 0.447 254 M N -1.491 118.268 119.600 0.265 0.000 2.073 254 M HA -0.247 4.248 4.480 0.025 0.000 0.258 254 M C 2.081 178.355 176.300 -0.043 0.000 1.070 254 M CA 2.060 57.510 55.300 0.251 0.000 1.103 254 M CB -1.341 31.445 32.600 0.311 0.000 1.321 254 M HN 0.477 nan 8.290 nan 0.000 0.405 255 W N 0.354 121.368 121.300 -0.477 0.000 2.338 255 W HA -0.111 4.564 4.660 0.025 0.000 0.304 255 W C 2.811 179.252 176.519 -0.130 0.000 1.212 255 W CA 1.930 58.981 57.345 -0.490 0.000 1.264 255 W CB -1.030 28.081 29.460 -0.582 0.000 1.142 255 W HN 0.314 nan 8.180 nan 0.000 0.512 256 A N -0.842 122.057 122.820 0.131 0.000 1.969 256 A HA -0.154 4.181 4.320 0.025 0.000 0.218 256 A C 1.909 179.541 177.584 0.080 0.000 1.169 256 A CA 1.482 53.602 52.037 0.138 0.000 0.635 256 A CB -0.546 18.570 19.000 0.193 0.000 0.810 256 A HN 0.091 nan 8.150 nan 0.000 0.445 257 M N 0.710 120.315 119.600 0.008 0.000 2.492 257 M HA 0.020 4.514 4.480 0.025 0.000 0.262 257 M C 1.376 177.724 176.300 0.079 0.000 1.090 257 M CA 0.688 55.937 55.300 -0.084 0.000 1.110 257 M CB -1.346 30.936 32.600 -0.530 0.000 1.407 257 M HN 0.533 nan 8.290 nan 0.000 0.470 258 S N 0.020 115.819 115.700 0.165 0.000 2.645 258 S HA 0.125 4.610 4.470 0.025 0.000 0.266 258 S C 0.728 175.457 174.600 0.215 0.000 1.258 258 S CA -0.561 57.778 58.200 0.231 0.000 0.990 258 S CB 1.086 64.465 63.200 0.298 0.000 0.967 258 S HN 0.169 nan 8.310 nan 0.000 0.556 259 D N 0.475 121.024 120.400 0.248 0.000 2.354 259 D HA -0.051 4.604 4.640 0.025 0.000 0.216 259 D C 1.842 178.285 176.300 0.239 0.000 0.970 259 D CA 0.517 54.683 54.000 0.278 0.000 0.905 259 D CB -0.159 40.874 40.800 0.388 0.000 0.903 259 D HN 0.405 nan 8.370 nan 0.000 0.508 260 R N 0.099 120.729 120.500 0.216 0.000 2.159 260 R HA -0.063 4.291 4.340 0.025 0.000 0.237 260 R C 2.090 178.546 176.300 0.259 0.000 1.131 260 R CA 1.053 57.306 56.100 0.255 0.000 0.982 260 R CB -0.831 29.675 30.300 0.343 0.000 0.868 260 R HN 0.200 nan 8.270 nan 0.000 0.453 261 G N 1.235 110.174 108.800 0.232 0.000 2.848 261 G HA2 0.010 3.984 3.960 0.025 0.000 0.208 261 G HA3 0.010 3.984 3.960 0.025 0.000 0.208 261 G C 0.978 176.021 174.900 0.238 0.000 1.152 261 G CA 0.018 45.249 45.100 0.218 0.000 0.789 261 G HN 0.411 nan 8.290 nan 0.000 0.531 262 I N -2.177 118.544 120.570 0.253 0.000 2.926 262 I HA 0.363 4.548 4.170 0.025 0.000 0.295 262 I C -2.896 173.380 176.117 0.264 0.000 1.463 262 I CA -2.643 58.815 61.300 0.264 0.000 0.892 262 I CB 1.813 39.975 38.000 0.270 0.000 1.874 262 I HN -0.271 nan 8.210 nan 0.000 0.620 263 P HA 0.096 nan 4.420 nan 0.000 0.269 263 P C 0.574 178.018 177.300 0.241 0.000 1.209 263 P CA -0.185 63.023 63.100 0.181 0.000 0.776 263 P CB 1.214 32.950 31.700 0.059 0.000 0.876 264 R N 2.108 122.735 120.500 0.212 0.000 2.096 264 R HA -0.024 4.330 4.340 0.025 0.000 0.235 264 R C 0.448 176.904 176.300 0.260 0.000 1.127 264 R CA 1.555 57.827 56.100 0.286 0.000 0.968 264 R CB -0.510 29.916 30.300 0.210 0.000 0.861 264 R HN 0.579 nan 8.270 nan 0.000 0.440 265 S N -3.046 112.599 115.700 -0.091 0.000 2.565 265 S HA 0.204 4.689 4.470 0.025 0.000 0.274 265 S C -0.355 173.941 174.600 -0.506 0.000 1.144 265 S CA -0.844 57.142 58.200 -0.356 0.000 0.849 265 S CB 0.012 63.135 63.200 -0.129 0.000 1.103 265 S HN 0.090 nan 8.310 nan 0.000 0.455 266 Y N 2.212 122.146 120.300 -0.610 0.000 2.421 266 Y HA 0.113 4.678 4.550 0.025 0.000 0.292 266 Y C 2.339 177.868 175.900 -0.617 0.000 1.136 266 Y CA 0.949 58.544 58.100 -0.842 0.000 1.255 266 Y CB -0.297 37.233 38.460 -1.550 0.000 0.991 266 Y HN 0.574 nan 8.280 nan 0.000 0.552 267 R N -0.535 119.830 120.500 -0.225 0.000 2.235 267 R HA -0.036 4.319 4.340 0.025 0.000 0.213 267 R C 1.059 177.324 176.300 -0.058 0.000 1.059 267 R CA 1.506 57.535 56.100 -0.117 0.000 0.997 267 R CB -0.401 29.821 30.300 -0.129 0.000 0.884 267 R HN 0.321 nan 8.270 nan 0.000 0.462 268 T N -1.935 112.600 114.554 -0.032 0.000 3.355 268 T HA 0.337 4.702 4.350 0.025 0.000 0.276 268 T C 0.172 174.916 174.700 0.074 0.000 1.003 268 T CA -0.706 61.406 62.100 0.019 0.000 0.943 268 T CB -0.052 68.813 68.868 -0.005 0.000 1.158 268 T HN 0.081 nan 8.240 nan 0.000 0.513 269 M N -0.938 118.744 119.600 0.136 0.000 2.602 269 M HA 0.737 5.232 4.480 0.025 0.000 0.312 269 M C -0.970 175.514 176.300 0.306 0.000 1.181 269 M CA -0.843 54.583 55.300 0.210 0.000 0.910 269 M CB 2.136 34.854 32.600 0.197 0.000 1.723 269 M HN -0.142 nan 8.290 nan 0.000 0.459 270 E N 0.543 120.923 120.200 0.300 0.000 2.345 270 E HA 0.617 4.982 4.350 0.025 0.000 0.259 270 E C -0.251 176.441 176.600 0.153 0.000 1.117 270 E CA -0.432 56.083 56.400 0.192 0.000 0.913 270 E CB 1.568 31.311 29.700 0.073 0.000 1.057 270 E HN 0.863 nan 8.360 nan 0.000 0.432 271 G N 0.803 109.530 108.800 -0.122 0.000 2.481 271 G HA2 0.643 4.618 3.960 0.025 0.000 0.315 271 G HA3 0.643 4.618 3.960 0.025 0.000 0.315 271 G C -1.429 173.066 174.900 -0.675 0.000 1.231 271 G CA -0.460 44.553 45.100 -0.146 0.000 0.968 271 G HN 0.304 nan 8.290 nan 0.000 0.482 272 F N -0.689 119.203 119.950 -0.097 0.000 2.619 272 F HA 0.496 5.038 4.527 0.025 0.000 0.308 272 F C 1.004 176.704 175.800 -0.166 0.000 1.097 272 F CA -0.606 57.253 58.000 -0.235 0.000 0.953 272 F CB 2.545 41.361 39.000 -0.306 0.000 1.287 272 F HN 0.606 nan 8.300 nan 0.000 0.446 273 G N -0.522 108.327 108.800 0.082 0.000 2.985 273 G HA2 0.208 4.182 3.960 0.025 0.000 0.209 273 G HA3 0.208 4.182 3.960 0.025 0.000 0.209 273 G C 0.675 175.650 174.900 0.123 0.000 1.165 273 G CA 0.665 45.862 45.100 0.163 0.000 0.776 273 G HN 1.003 nan 8.290 nan 0.000 0.541 274 C N -1.436 117.829 119.300 -0.059 0.000 5.887 274 C HA -0.155 4.320 4.460 0.025 0.000 0.327 274 C C 0.756 175.476 174.990 -0.449 0.000 2.420 274 C CA 0.706 59.516 59.018 -0.348 0.000 2.184 274 C CB -1.894 25.524 27.740 -0.538 0.000 3.223 274 C HN 0.591 nan 8.230 nan 0.000 0.271 275 H N 0.111 119.212 119.070 0.053 0.000 2.670 275 H HA 0.483 5.054 4.556 0.025 0.000 0.361 275 H C -0.176 175.120 175.328 -0.053 0.000 1.169 275 H CA 0.083 56.088 56.048 -0.072 0.000 1.198 275 H CB 0.882 30.481 29.762 -0.271 0.000 1.700 275 H HN 0.300 nan 8.280 nan 0.000 0.542 276 T N 2.820 117.371 114.554 -0.005 0.000 2.834 276 T HA 0.203 4.567 4.350 0.025 0.000 0.298 276 T C 0.156 174.792 174.700 -0.107 0.000 0.966 276 T CA 0.237 62.312 62.100 -0.042 0.000 1.141 276 T CB -0.328 68.465 68.868 -0.124 0.000 0.905 276 T HN 0.201 nan 8.240 nan 0.000 0.535 277 F N 1.294 121.194 119.950 -0.084 0.000 2.629 277 F HA 0.655 5.196 4.527 0.024 0.000 0.386 277 F C 1.062 176.812 175.800 -0.084 0.000 1.135 277 F CA -1.343 56.630 58.000 -0.044 0.000 1.116 277 F CB 1.347 40.302 39.000 -0.076 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.539 121.094 120.500 0.092 0.000 2.740 278 R HA 0.654 5.009 4.340 0.025 0.000 0.282 278 R C -1.598 174.593 176.300 -0.182 0.000 0.969 278 R CA -0.847 55.173 56.100 -0.133 0.000 0.918 278 R CB 1.937 32.089 30.300 -0.247 0.000 1.175 278 R HN 0.421 nan 8.270 nan 0.000 0.464 279 L N 3.284 124.351 121.223 -0.261 0.000 2.334 279 L HA 0.569 4.924 4.340 0.025 0.000 0.275 279 L C -0.447 176.267 176.870 -0.259 0.000 1.036 279 L CA -1.006 53.689 54.840 -0.242 0.000 0.807 279 L CB 1.288 43.209 42.059 -0.230 0.000 1.231 279 L HN 0.348 nan 8.230 nan 0.000 0.438 280 I N 2.252 122.694 120.570 -0.214 0.000 2.466 280 I HA 0.297 4.482 4.170 0.025 0.000 0.289 280 I C -0.382 175.648 176.117 -0.145 0.000 1.026 280 I CA -0.680 60.496 61.300 -0.206 0.000 1.078 280 I CB 1.574 39.460 38.000 -0.189 0.000 1.249 280 I HN 0.650 nan 8.210 nan 0.000 0.429 281 N N 4.601 123.229 118.700 -0.121 0.000 2.491 281 N HA 0.420 5.175 4.740 0.025 0.000 0.279 281 N C 0.810 176.280 175.510 -0.067 0.000 1.236 281 N CA -0.348 52.651 53.050 -0.085 0.000 0.982 281 N CB 0.609 39.054 38.487 -0.070 0.000 1.194 281 N HN 0.529 nan 8.380 nan 0.000 0.582 282 A N -0.424 122.365 122.820 -0.051 0.000 1.978 282 A HA -0.147 4.188 4.320 0.025 0.000 0.220 282 A C 1.447 179.010 177.584 -0.034 0.000 1.170 282 A CA 1.503 53.516 52.037 -0.040 0.000 0.636 282 A CB -0.753 18.230 19.000 -0.030 0.000 0.810 282 A HN 0.744 nan 8.150 nan 0.000 0.448 283 E N -1.578 118.603 120.200 -0.032 0.000 2.502 283 E HA 0.297 4.662 4.350 0.025 0.000 0.194 283 E C 1.224 177.814 176.600 -0.017 0.000 1.062 283 E CA 0.765 57.151 56.400 -0.023 0.000 0.867 283 E CB -0.074 29.614 29.700 -0.020 0.000 0.888 283 E HN 0.759 nan 8.360 nan 0.000 0.510 284 G N 1.053 109.839 108.800 -0.024 0.000 2.157 284 G HA2 -0.340 3.635 3.960 0.025 0.000 0.239 284 G HA3 -0.340 3.635 3.960 0.025 0.000 0.239 284 G C 0.280 175.195 174.900 0.025 0.000 0.982 284 G CA 0.176 45.280 45.100 0.007 0.000 0.650 284 G HN 0.260 nan 8.290 nan 0.000 0.527 285 K N 0.920 121.297 120.400 -0.038 0.000 2.322 285 K HA 0.643 4.978 4.320 0.025 0.000 0.283 285 K C 0.662 177.124 176.600 -0.230 0.000 1.042 285 K CA 0.244 56.481 56.287 -0.083 0.000 0.958 285 K CB 0.510 32.963 32.500 -0.078 0.000 0.984 285 K HN 0.582 nan 8.250 nan 0.000 0.473 286 A N 3.521 126.081 122.820 -0.432 0.000 2.309 286 A HA 0.395 4.730 4.320 0.025 0.000 0.298 286 A C -0.699 176.562 177.584 -0.539 0.000 1.165 286 A CA -0.453 51.167 52.037 -0.696 0.000 0.821 286 A CB 1.006 19.144 19.000 -1.436 0.000 1.102 286 A HN 0.730 nan 8.150 nan 0.000 0.500 287 T N 2.338 116.615 114.554 -0.462 0.000 2.841 287 T HA 0.539 4.904 4.350 0.025 0.000 0.283 287 T C -0.633 173.842 174.700 -0.375 0.000 1.000 287 T CA -0.094 61.790 62.100 -0.361 0.000 0.977 287 T CB 0.505 69.258 68.868 -0.191 0.000 0.979 287 T HN 0.339 nan 8.240 nan 0.000 0.446 288 F N 2.011 121.867 119.950 -0.156 0.000 2.429 288 F HA 0.529 5.071 4.527 0.025 0.000 0.348 288 F C 0.549 176.232 175.800 -0.195 0.000 1.109 288 F CA -0.444 57.459 58.000 -0.162 0.000 1.232 288 F CB 0.727 39.652 39.000 -0.125 0.000 1.157 288 F HN 0.189 nan 8.300 nan 0.000 0.564 289 V N 4.808 124.684 119.914 -0.063 0.000 2.808 289 V HA 0.587 4.722 4.120 0.025 0.000 0.308 289 V C -1.001 174.856 176.094 -0.395 0.000 1.099 289 V CA -0.750 61.358 62.300 -0.320 0.000 0.920 289 V CB 2.016 33.437 31.823 -0.671 0.000 1.014 289 V HN 0.760 nan 8.190 nan 0.000 0.425 290 R N 4.931 125.250 120.500 -0.302 0.000 2.494 290 R HA 0.549 4.904 4.340 0.025 0.000 0.305 290 R C -1.602 174.606 176.300 -0.153 0.000 0.959 290 R CA -0.463 55.495 56.100 -0.237 0.000 0.864 290 R CB 2.011 32.300 30.300 -0.018 0.000 1.159 290 R HN 0.591 nan 8.270 nan 0.000 0.446 291 F N 2.121 122.100 119.950 0.048 0.000 2.385 291 F HA 0.364 4.906 4.527 0.025 0.000 0.336 291 F C 0.990 176.711 175.800 -0.131 0.000 1.100 291 F CA -0.093 57.903 58.000 -0.006 0.000 1.116 291 F CB 0.868 39.753 39.000 -0.192 0.000 1.166 291 F HN 0.201 nan 8.300 nan 0.000 0.511 292 H N 0.908 119.978 119.070 -0.001 0.000 2.768 292 H HA 0.251 4.822 4.556 0.025 0.000 0.371 292 H C -1.559 173.553 175.328 -0.360 0.000 1.151 292 H CA -0.969 54.971 56.048 -0.181 0.000 1.165 292 H CB 1.972 31.709 29.762 -0.041 0.000 1.722 292 H HN 0.678 nan 8.280 nan 0.000 0.543 293 W N 2.354 123.536 121.300 -0.198 0.000 2.600 293 W HA 0.313 4.987 4.660 0.025 0.000 0.325 293 W C -0.120 176.427 176.519 0.046 0.000 1.034 293 W CA -0.775 56.523 57.345 -0.079 0.000 1.226 293 W CB 1.802 31.052 29.460 -0.350 0.000 1.379 293 W HN 0.294 nan 8.180 nan 0.000 0.466 294 K N 5.697 126.363 120.400 0.443 0.000 2.213 294 K HA 0.393 4.728 4.320 0.025 0.000 0.270 294 K C -2.391 174.439 176.600 0.383 0.000 1.002 294 K CA -1.834 54.652 56.287 0.331 0.000 0.868 294 K CB 1.383 34.027 32.500 0.240 0.000 1.093 294 K HN 0.042 nan 8.250 nan 0.000 0.454 295 P HA 0.067 nan 4.420 nan 0.000 0.282 295 P C 0.246 177.554 177.300 0.014 0.000 1.274 295 P CA -0.120 63.058 63.100 0.130 0.000 0.770 295 P CB 0.791 32.583 31.700 0.153 0.000 0.867 296 L N 2.598 123.769 121.223 -0.087 0.000 2.551 296 L HA -0.032 4.323 4.340 0.025 0.000 0.228 296 L C 2.058 178.908 176.870 -0.033 0.000 1.153 296 L CA 0.836 55.663 54.840 -0.022 0.000 0.851 296 L CB -0.485 41.569 42.059 -0.007 0.000 0.959 296 L HN 0.351 nan 8.230 nan 0.000 0.451 297 A N -0.055 122.721 122.820 -0.074 0.000 2.275 297 A HA 0.461 4.796 4.320 0.025 0.000 0.212 297 A C 1.223 178.807 177.584 0.001 0.000 1.201 297 A CA 0.542 52.554 52.037 -0.043 0.000 0.843 297 A CB -0.304 18.651 19.000 -0.076 0.000 0.873 297 A HN 0.426 nan 8.150 nan 0.000 0.492 298 G N -0.430 108.385 108.800 0.025 0.000 2.756 298 G HA2 -0.138 3.837 3.960 0.025 0.000 0.678 298 G HA3 -0.138 3.837 3.960 0.025 0.000 0.678 298 G C -0.646 174.290 174.900 0.061 0.000 1.349 298 G CA -0.439 44.695 45.100 0.057 0.000 0.847 298 G HN 0.471 nan 8.290 nan 0.000 0.548 299 K N 0.104 120.547 120.400 0.072 0.000 2.185 299 K HA 0.744 5.079 4.320 0.025 0.000 0.269 299 K C 0.166 176.780 176.600 0.023 0.000 0.987 299 K CA 0.136 56.452 56.287 0.049 0.000 0.865 299 K CB 1.881 34.397 32.500 0.027 0.000 1.090 299 K HN 1.462 nan 8.250 nan 0.000 0.450 300 A N 1.662 124.480 122.820 -0.003 0.000 2.566 300 A HA 0.604 4.939 4.320 0.025 0.000 0.297 300 A C -1.149 176.483 177.584 0.081 0.000 1.059 300 A CA -0.668 51.324 52.037 -0.076 0.000 0.691 300 A CB 1.749 20.471 19.000 -0.464 0.000 1.282 300 A HN 0.510 nan 8.150 nan 0.000 0.401 301 S N 0.448 116.349 115.700 0.334 0.000 2.634 301 S HA 0.762 5.247 4.470 0.025 0.000 0.296 301 S C -0.096 174.836 174.600 0.553 0.000 1.104 301 S CA -0.604 57.837 58.200 0.403 0.000 0.920 301 S CB 1.166 64.592 63.200 0.377 0.000 1.111 301 S HN 0.644 nan 8.310 nan 0.000 0.493 302 L N 1.399 122.837 121.223 0.358 0.000 2.482 302 L HA 0.533 4.888 4.340 0.025 0.000 0.242 302 L C 0.183 177.185 176.870 0.220 0.000 1.210 302 L CA -0.789 54.185 54.840 0.223 0.000 0.819 302 L CB 0.138 42.235 42.059 0.062 0.000 1.203 302 L HN 0.482 nan 8.230 nan 0.000 0.495 303 V N -2.850 117.093 119.914 0.048 0.000 2.975 303 V HA 0.187 4.322 4.120 0.025 0.000 0.318 303 V C 0.663 176.709 176.094 -0.080 0.000 1.077 303 V CA -0.728 61.567 62.300 -0.007 0.000 1.000 303 V CB 1.630 33.421 31.823 -0.054 0.000 1.066 303 V HN 0.954 nan 8.190 nan 0.000 0.452 304 W N 1.539 122.705 121.300 -0.223 0.000 2.355 304 W HA -0.176 4.498 4.660 0.024 0.000 0.309 304 W C 1.813 178.170 176.519 -0.271 0.000 1.206 304 W CA 2.351 59.559 57.345 -0.229 0.000 1.284 304 W CB -0.114 29.196 29.460 -0.250 0.000 1.145 304 W HN 0.989 nan 8.180 nan 0.000 0.502 305 D N 0.396 120.506 120.400 -0.483 0.000 2.149 305 D HA -0.304 4.350 4.640 0.025 0.000 0.198 305 D C 2.126 178.054 176.300 -0.621 0.000 0.990 305 D CA 2.171 55.838 54.000 -0.554 0.000 0.839 305 D CB -0.462 40.269 40.800 -0.115 0.000 0.948 305 D HN 0.386 nan 8.370 nan 0.000 0.460 306 E N -0.422 119.300 120.200 -0.796 0.000 2.047 306 E HA -0.193 4.172 4.350 0.025 0.000 0.191 306 E C 2.038 178.283 176.600 -0.592 0.000 0.987 306 E CA 1.034 56.894 56.400 -0.901 0.000 0.799 306 E CB -0.235 28.811 29.700 -1.091 0.000 0.752 306 E HN 0.309 nan 8.360 nan 0.000 0.449 307 A N 1.177 123.675 122.820 -0.536 0.000 1.908 307 A HA -0.263 4.072 4.320 0.025 0.000 0.218 307 A C 2.182 179.437 177.584 -0.550 0.000 1.181 307 A CA 1.833 53.612 52.037 -0.430 0.000 0.627 307 A CB -0.693 18.180 19.000 -0.211 0.000 0.818 307 A HN 0.450 nan 8.150 nan 0.000 0.445 308 Q N -0.609 118.646 119.800 -0.909 0.000 2.079 308 Q HA -0.165 4.190 4.340 0.025 0.000 0.200 308 Q C 2.172 177.886 176.000 -0.477 0.000 0.974 308 Q CA 1.731 57.018 55.803 -0.859 0.000 0.840 308 Q CB -0.134 27.799 28.738 -1.343 0.000 0.898 308 Q HN 0.663 nan 8.270 nan 0.000 0.430 309 K N 0.032 120.169 120.400 -0.437 0.000 2.148 309 K HA -0.136 4.199 4.320 0.025 0.000 0.204 309 K C 2.048 178.500 176.600 -0.246 0.000 1.050 309 K CA 0.621 56.746 56.287 -0.270 0.000 0.942 309 K CB -0.017 32.367 32.500 -0.194 0.000 0.724 309 K HN 0.173 nan 8.250 nan 0.000 0.446 310 L N 1.414 122.448 121.223 -0.316 0.000 2.201 310 L HA -0.138 4.217 4.340 0.025 0.000 0.212 310 L C 2.175 178.909 176.870 -0.227 0.000 1.105 310 L CA 2.147 56.801 54.840 -0.310 0.000 0.775 310 L CB -0.905 40.878 42.059 -0.460 0.000 0.913 310 L HN 0.318 nan 8.230 nan 0.000 0.440 311 T N -4.250 110.176 114.554 -0.214 0.000 2.849 311 T HA -0.082 4.283 4.350 0.025 0.000 0.270 311 T C 1.841 176.479 174.700 -0.103 0.000 1.066 311 T CA 1.036 63.054 62.100 -0.136 0.000 1.130 311 T CB -0.992 67.809 68.868 -0.112 0.000 0.864 311 T HN 0.389 nan 8.240 nan 0.000 0.481 312 G N 1.162 109.892 108.800 -0.116 0.000 2.447 312 G HA2 0.002 3.977 3.960 0.025 0.000 0.211 312 G HA3 0.002 3.977 3.960 0.025 0.000 0.211 312 G C 1.896 176.752 174.900 -0.073 0.000 1.184 312 G CA -0.252 44.797 45.100 -0.085 0.000 0.813 312 G HN 0.300 nan 8.290 nan 0.000 0.540 313 R N 0.348 120.795 120.500 -0.088 0.000 2.115 313 R HA 0.029 4.384 4.340 0.025 0.000 0.230 313 R C -0.109 176.165 176.300 -0.044 0.000 1.111 313 R CA 0.895 56.956 56.100 -0.065 0.000 0.976 313 R CB -0.245 30.007 30.300 -0.079 0.000 0.870 313 R HN 0.356 nan 8.270 nan 0.000 0.445 314 D N -0.576 119.793 120.400 -0.052 0.000 2.527 314 D HA 0.134 4.788 4.640 0.025 0.000 0.242 314 D C -2.112 174.191 176.300 0.006 0.000 1.285 314 D CA -1.717 52.286 54.000 0.005 0.000 0.886 314 D CB 1.247 42.100 40.800 0.088 0.000 1.402 314 D HN -0.136 nan 8.370 nan 0.000 0.528 315 P HA -0.016 nan 4.420 nan 0.000 0.228 315 P C 0.023 177.330 177.300 0.011 0.000 1.151 315 P CA 0.647 63.736 63.100 -0.017 0.000 0.770 315 P CB 0.473 32.160 31.700 -0.022 0.000 0.786 316 D N -1.336 119.080 120.400 0.028 0.000 2.427 316 D HA 0.069 4.724 4.640 0.025 0.000 0.224 316 D C 1.168 177.502 176.300 0.057 0.000 1.157 316 D CA -0.418 53.602 54.000 0.035 0.000 0.828 316 D CB -0.543 40.255 40.800 -0.003 0.000 0.974 316 D HN 0.143 nan 8.370 nan 0.000 0.498 317 F N 1.127 121.014 119.950 -0.106 0.000 2.134 317 F HA -0.205 4.336 4.527 0.025 0.000 0.299 317 F C 2.027 177.789 175.800 -0.064 0.000 1.097 317 F CA 1.803 59.735 58.000 -0.114 0.000 1.264 317 F CB 0.086 38.965 39.000 -0.202 0.000 1.001 317 F HN 0.090 nan 8.300 nan 0.000 0.479 318 H N -1.082 117.907 119.070 -0.135 0.000 2.363 318 H HA -0.068 4.503 4.556 0.025 0.000 0.301 318 H C 2.385 177.610 175.328 -0.172 0.000 1.074 318 H CA 0.952 56.780 56.048 -0.366 0.000 1.354 318 H CB -0.143 29.221 29.762 -0.663 0.000 1.397 318 H HN 0.157 nan 8.280 nan 0.000 0.516 319 R N 1.250 121.844 120.500 0.157 0.000 2.083 319 R HA -0.164 4.191 4.340 0.025 0.000 0.237 319 R C 2.453 178.857 176.300 0.173 0.000 1.137 319 R CA 1.559 57.805 56.100 0.243 0.000 0.951 319 R CB -0.059 30.370 30.300 0.216 0.000 0.851 319 R HN 0.214 nan 8.270 nan 0.000 0.434 320 R N 0.321 120.841 120.500 0.033 0.000 2.062 320 R HA -0.146 4.209 4.340 0.025 0.000 0.231 320 R C 2.203 178.499 176.300 -0.007 0.000 1.136 320 R CA 1.685 57.786 56.100 0.003 0.000 0.948 320 R CB -0.296 29.963 30.300 -0.067 0.000 0.845 320 R HN 0.260 nan 8.270 nan 0.000 0.430 321 E N 0.712 120.790 120.200 -0.202 0.000 2.085 321 E HA -0.224 4.140 4.350 0.025 0.000 0.194 321 E C 2.013 178.581 176.600 -0.053 0.000 0.994 321 E CA 1.341 57.602 56.400 -0.231 0.000 0.801 321 E CB -0.131 29.262 29.700 -0.512 0.000 0.743 321 E HN 0.261 nan 8.360 nan 0.000 0.453 322 L N 0.831 122.068 121.223 0.022 0.000 1.994 322 L HA -0.165 4.190 4.340 0.025 0.000 0.208 322 L C 2.252 179.222 176.870 0.168 0.000 1.071 322 L CA 1.923 56.826 54.840 0.105 0.000 0.745 322 L CB -0.998 41.189 42.059 0.213 0.000 0.892 322 L HN 0.327 nan 8.230 nan 0.000 0.431 323 W N 0.869 122.204 121.300 0.058 0.000 2.338 323 W HA -0.221 4.453 4.660 0.024 0.000 0.304 323 W C 2.186 178.734 176.519 0.049 0.000 1.212 323 W CA 2.200 59.591 57.345 0.077 0.000 1.264 323 W CB -0.084 29.422 29.460 0.078 0.000 1.142 323 W HN 0.367 nan 8.180 nan 0.000 0.512 324 E N -0.221 120.149 120.200 0.285 0.000 2.216 324 E HA -0.093 4.272 4.350 0.025 0.000 0.192 324 E C 2.329 178.952 176.600 0.038 0.000 0.988 324 E CA 0.841 57.329 56.400 0.147 0.000 0.834 324 E CB -0.250 29.489 29.700 0.066 0.000 0.772 324 E HN 0.177 nan 8.360 nan 0.000 0.479 325 A N 1.228 124.069 122.820 0.034 0.000 1.898 325 A HA -0.153 4.182 4.320 0.025 0.000 0.216 325 A C 2.135 179.736 177.584 0.029 0.000 1.181 325 A CA 0.947 52.996 52.037 0.020 0.000 0.620 325 A CB -0.462 18.554 19.000 0.027 0.000 0.819 325 A HN 0.119 nan 8.150 nan 0.000 0.442 326 I N -0.374 120.234 120.570 0.064 0.000 2.202 326 I HA -0.241 3.944 4.170 0.025 0.000 0.242 326 I C 2.433 178.608 176.117 0.097 0.000 1.091 326 I CA 1.450 62.835 61.300 0.140 0.000 1.368 326 I CB -0.433 37.593 38.000 0.043 0.000 1.058 326 I HN 0.408 nan 8.210 nan 0.000 0.410 327 E N 0.821 121.028 120.200 0.012 0.000 2.209 327 E HA -0.213 4.152 4.350 0.025 0.000 0.196 327 E C 2.134 178.743 176.600 0.015 0.000 0.993 327 E CA 1.264 57.687 56.400 0.038 0.000 0.819 327 E CB -0.125 29.631 29.700 0.094 0.000 0.745 327 E HN 0.526 nan 8.360 nan 0.000 0.477 328 A N 0.061 122.864 122.820 -0.029 0.000 2.169 328 A HA 0.208 4.543 4.320 0.025 0.000 0.212 328 A C 1.823 179.324 177.584 -0.139 0.000 1.153 328 A CA 0.950 52.951 52.037 -0.060 0.000 0.756 328 A CB -0.102 18.855 19.000 -0.073 0.000 0.813 328 A HN 0.337 nan 8.150 nan 0.000 0.471 329 G N -0.363 108.253 108.800 -0.305 0.000 2.157 329 G HA2 -0.205 3.770 3.960 0.025 0.000 0.248 329 G HA3 -0.205 3.770 3.960 0.025 0.000 0.248 329 G C -0.252 174.133 174.900 -0.859 0.000 0.979 329 G CA 0.241 44.830 45.100 -0.852 0.000 0.650 329 G HN 0.458 nan 8.290 nan 0.000 0.529 330 D N 0.988 121.159 120.400 -0.382 0.000 2.688 330 D HA 0.281 4.935 4.640 0.025 0.000 0.228 330 D C 0.784 177.019 176.300 -0.108 0.000 1.116 330 D CA -0.069 53.810 54.000 -0.202 0.000 1.023 330 D CB -0.669 40.116 40.800 -0.025 0.000 1.100 330 D HN 0.425 nan 8.370 nan 0.000 0.487 331 F N 1.419 121.371 119.950 0.003 0.000 2.578 331 F HA 0.096 4.638 4.527 0.025 0.000 0.376 331 F C -1.361 174.409 175.800 -0.050 0.000 1.085 331 F CA -1.935 56.059 58.000 -0.011 0.000 1.260 331 F CB 0.115 39.118 39.000 0.005 0.000 1.095 331 F HN -0.075 nan 8.300 nan 0.000 0.573 332 P HA 0.052 nan 4.420 nan 0.000 0.267 332 P C -1.090 176.143 177.300 -0.112 0.000 1.209 332 P CA 0.292 63.373 63.100 -0.031 0.000 0.763 332 P CB 0.491 32.259 31.700 0.114 0.000 0.816 333 E N 2.291 122.287 120.200 -0.339 0.000 2.238 333 E HA 0.492 4.856 4.350 0.025 0.000 0.267 333 E C -1.076 175.224 176.600 -0.500 0.000 0.887 333 E CA -0.562 55.696 56.400 -0.237 0.000 0.769 333 E CB 1.480 31.135 29.700 -0.074 0.000 1.187 333 E HN 0.372 nan 8.360 nan 0.000 0.416 334 Y N 0.281 120.658 120.300 0.128 0.000 2.492 334 Y HA 0.225 4.789 4.550 0.025 0.000 0.346 334 Y C -0.380 175.757 175.900 0.393 0.000 0.997 334 Y CA -0.939 57.311 58.100 0.249 0.000 1.025 334 Y CB 2.036 40.599 38.460 0.172 0.000 1.263 334 Y HN 0.458 nan 8.280 nan 0.000 0.454 335 E N 2.985 123.517 120.200 0.553 0.000 2.134 335 E HA 0.380 4.745 4.350 0.025 0.000 0.278 335 E C -1.436 175.455 176.600 0.484 0.000 0.959 335 E CA -0.964 55.722 56.400 0.477 0.000 0.783 335 E CB 0.974 30.885 29.700 0.352 0.000 1.095 335 E HN 0.599 nan 8.360 nan 0.000 0.399 336 L N 4.543 125.981 121.223 0.359 0.000 2.410 336 L HA 0.440 4.795 4.340 0.025 0.000 0.273 336 L C -0.002 176.806 176.870 -0.103 0.000 1.152 336 L CA 0.762 55.506 54.840 -0.160 0.000 0.855 336 L CB 0.856 42.776 42.059 -0.232 0.000 1.129 336 L HN 0.599 nan 8.230 nan 0.000 0.463 337 G N 4.460 113.215 108.800 -0.076 0.000 2.574 337 G HA2 0.582 4.557 3.960 0.025 0.000 0.299 337 G HA3 0.582 4.557 3.960 0.025 0.000 0.299 337 G C -1.613 173.430 174.900 0.238 0.000 1.298 337 G CA -0.549 44.539 45.100 -0.021 0.000 0.952 337 G HN 0.456 nan 8.290 nan 0.000 0.477 338 F N 0.161 120.137 119.950 0.043 0.000 2.529 338 F HA 0.366 4.908 4.527 0.025 0.000 0.320 338 F C 0.333 176.134 175.800 0.001 0.000 1.118 338 F CA -0.955 57.073 58.000 0.046 0.000 0.915 338 F CB 2.594 41.607 39.000 0.021 0.000 1.161 338 F HN 0.151 nan 8.300 nan 0.000 0.445 339 Q N 4.311 124.232 119.800 0.201 0.000 2.294 339 Q HA 0.453 4.808 4.340 0.025 0.000 0.257 339 Q C -1.009 175.034 176.000 0.072 0.000 0.955 339 Q CA -0.349 55.515 55.803 0.101 0.000 0.936 339 Q CB 1.813 30.613 28.738 0.102 0.000 1.188 339 Q HN 0.533 nan 8.270 nan 0.000 0.420 340 L N 4.595 125.869 121.223 0.084 0.000 2.322 340 L HA 0.581 4.936 4.340 0.025 0.000 0.281 340 L C -0.545 176.379 176.870 0.090 0.000 1.014 340 L CA -0.556 54.322 54.840 0.064 0.000 0.815 340 L CB 1.266 43.372 42.059 0.078 0.000 1.247 340 L HN 0.514 nan 8.230 nan 0.000 0.421 341 I N 4.469 125.110 120.570 0.118 0.000 2.447 341 I HA 0.358 4.543 4.170 0.025 0.000 0.287 341 I C -2.310 173.932 176.117 0.207 0.000 1.023 341 I CA -2.036 59.378 61.300 0.190 0.000 1.083 341 I CB 2.434 40.562 38.000 0.214 0.000 1.245 341 I HN 0.288 nan 8.210 nan 0.000 0.434 342 P HA 0.046 nan 4.420 nan 0.000 0.269 342 P C 0.590 177.963 177.300 0.122 0.000 1.215 342 P CA -0.099 63.042 63.100 0.068 0.000 0.780 342 P CB 0.848 32.581 31.700 0.056 0.000 0.898 343 E N 1.217 121.401 120.200 -0.027 0.000 2.118 343 E HA -0.267 4.098 4.350 0.025 0.000 0.195 343 E C 0.910 177.609 176.600 0.165 0.000 0.992 343 E CA 1.440 57.833 56.400 -0.011 0.000 0.804 343 E CB -0.009 29.597 29.700 -0.157 0.000 0.741 343 E HN 0.419 nan 8.360 nan 0.000 0.458 344 E N 0.556 120.822 120.200 0.110 0.000 2.338 344 E HA -0.134 4.231 4.350 0.025 0.000 0.197 344 E C 0.675 177.350 176.600 0.124 0.000 1.007 344 E CA 1.050 57.520 56.400 0.117 0.000 0.849 344 E CB 0.058 29.802 29.700 0.074 0.000 0.774 344 E HN 0.257 nan 8.360 nan 0.000 0.506 345 D N -0.138 120.341 120.400 0.132 0.000 2.368 345 D HA 0.002 4.657 4.640 0.025 0.000 0.218 345 D C 1.157 177.502 176.300 0.075 0.000 1.112 345 D CA 0.020 54.072 54.000 0.085 0.000 0.834 345 D CB 0.063 40.922 40.800 0.099 0.000 0.953 345 D HN 0.250 nan 8.370 nan 0.000 0.505 346 E N -0.165 120.049 120.200 0.024 0.000 2.114 346 E HA -0.208 4.156 4.350 0.025 0.000 0.199 346 E C 0.422 176.732 176.600 -0.484 0.000 1.008 346 E CA 1.181 57.367 56.400 -0.356 0.000 0.810 346 E CB 0.007 29.306 29.700 -0.668 0.000 0.739 346 E HN 0.276 nan 8.360 nan 0.000 0.456 347 F N -0.557 119.399 119.950 0.010 0.000 2.647 347 F HA 0.271 4.813 4.527 0.025 0.000 0.300 347 F C 1.151 176.883 175.800 -0.114 0.000 1.106 347 F CA -0.248 57.731 58.000 -0.035 0.000 1.313 347 F CB 0.642 39.630 39.000 -0.020 0.000 1.007 347 F HN -0.192 nan 8.300 nan 0.000 0.536 348 K N 0.097 120.426 120.400 -0.118 0.000 2.417 348 K HA 0.170 4.505 4.320 0.025 0.000 0.196 348 K C -0.454 175.716 176.600 -0.717 0.000 1.023 348 K CA 0.196 56.241 56.287 -0.404 0.000 1.122 348 K CB 0.231 32.422 32.500 -0.515 0.000 0.850 348 K HN 0.132 nan 8.250 nan 0.000 0.521 349 F N -0.180 119.609 119.950 -0.268 0.000 2.523 349 F HA 0.178 4.720 4.527 0.025 0.000 0.329 349 F C 1.167 176.746 175.800 -0.368 0.000 1.061 349 F CA -1.084 56.636 58.000 -0.466 0.000 0.967 349 F CB 1.058 39.398 39.000 -1.101 0.000 1.218 349 F HN -0.190 nan 8.300 nan 0.000 0.480 350 D N 0.705 121.077 120.400 -0.046 0.000 2.310 350 D HA -0.059 4.595 4.640 0.025 0.000 0.212 350 D C -0.083 176.284 176.300 0.111 0.000 0.965 350 D CA 1.242 55.289 54.000 0.078 0.000 0.879 350 D CB -0.204 40.729 40.800 0.221 0.000 0.921 350 D HN 0.262 nan 8.370 nan 0.000 0.510 351 F N -0.944 119.084 119.950 0.131 0.000 2.575 351 F HA 0.468 5.010 4.527 0.025 0.000 0.330 351 F C 0.069 175.849 175.800 -0.033 0.000 1.056 351 F CA -1.654 56.343 58.000 -0.005 0.000 0.964 351 F CB 0.766 39.709 39.000 -0.095 0.000 1.258 351 F HN -0.402 nan 8.300 nan 0.000 0.484 352 D N 1.801 122.210 120.400 0.015 0.000 2.312 352 D HA 0.156 4.811 4.640 0.025 0.000 0.252 352 D C 1.063 177.300 176.300 -0.105 0.000 1.150 352 D CA 0.032 53.984 54.000 -0.081 0.000 0.870 352 D CB 1.329 42.091 40.800 -0.064 0.000 1.153 352 D HN 0.742 nan 8.370 nan 0.000 0.457 353 L N 3.496 124.596 121.223 -0.203 0.000 2.261 353 L HA -0.153 4.202 4.340 0.025 0.000 0.216 353 L C 1.921 178.655 176.870 -0.226 0.000 1.114 353 L CA 0.724 55.423 54.840 -0.236 0.000 0.777 353 L CB -0.120 41.651 42.059 -0.481 0.000 0.910 353 L HN 0.460 nan 8.230 nan 0.000 0.440 354 L N -1.092 120.016 121.223 -0.191 0.000 2.591 354 L HA 0.075 4.430 4.340 0.025 0.000 0.228 354 L C 0.433 177.220 176.870 -0.140 0.000 1.133 354 L CA -0.138 54.657 54.840 -0.075 0.000 0.880 354 L CB -0.256 41.869 42.059 0.110 0.000 1.033 354 L HN 0.076 nan 8.230 nan 0.000 0.450 355 D N 1.778 121.860 120.400 -0.529 0.000 2.347 355 D HA 0.131 4.786 4.640 0.025 0.000 0.235 355 D C -1.617 174.455 176.300 -0.380 0.000 1.149 355 D CA -2.301 51.140 54.000 -0.931 0.000 0.850 355 D CB 1.675 41.693 40.800 -1.304 0.000 1.061 355 D HN -0.085 nan 8.370 nan 0.000 0.487 356 P HA -0.028 nan 4.420 nan 0.000 0.245 356 P C 0.817 178.018 177.300 -0.164 0.000 1.212 356 P CA 0.513 63.543 63.100 -0.116 0.000 0.774 356 P CB -0.029 31.696 31.700 0.041 0.000 0.999 357 T N -4.154 110.296 114.554 -0.173 0.000 3.129 357 T HA 0.146 4.511 4.350 0.025 0.000 0.251 357 T C 0.720 175.322 174.700 -0.164 0.000 1.117 357 T CA -0.059 61.946 62.100 -0.159 0.000 1.034 357 T CB -0.223 68.599 68.868 -0.077 0.000 0.968 357 T HN -0.124 nan 8.240 nan 0.000 0.526 358 K N 2.018 122.224 120.400 -0.323 0.000 2.270 358 K HA 0.564 4.899 4.320 0.025 0.000 0.255 358 K C -0.318 176.074 176.600 -0.347 0.000 0.936 358 K CA -0.867 55.085 56.287 -0.559 0.000 0.809 358 K CB 2.261 34.282 32.500 -0.799 0.000 1.131 358 K HN 0.281 nan 8.250 nan 0.000 0.427 359 L N -0.341 120.825 121.223 -0.095 0.000 2.387 359 L HA 0.640 4.995 4.340 0.025 0.000 0.266 359 L C 0.003 176.685 176.870 -0.313 0.000 1.059 359 L CA -0.449 54.296 54.840 -0.158 0.000 0.801 359 L CB 0.249 42.295 42.059 -0.021 0.000 1.223 359 L HN 0.443 nan 8.230 nan 0.000 0.456 360 I N 1.265 121.747 120.570 -0.146 0.000 2.307 360 I HA 0.380 4.565 4.170 0.025 0.000 0.289 360 I C -2.147 173.992 176.117 0.037 0.000 1.021 360 I CA -1.727 59.536 61.300 -0.062 0.000 1.224 360 I CB 1.231 39.211 38.000 -0.032 0.000 1.376 360 I HN 0.456 nan 8.210 nan 0.000 0.470 361 P HA 0.070 nan 4.420 nan 0.000 0.268 361 P C 0.285 177.656 177.300 0.117 0.000 1.204 361 P CA -0.061 63.094 63.100 0.092 0.000 0.768 361 P CB 0.630 32.379 31.700 0.081 0.000 0.842 362 E N 1.666 121.940 120.200 0.123 0.000 2.265 362 E HA -0.200 4.165 4.350 0.025 0.000 0.196 362 E C 1.355 178.009 176.600 0.091 0.000 0.996 362 E CA 0.807 57.265 56.400 0.097 0.000 0.832 362 E CB -0.011 29.745 29.700 0.094 0.000 0.756 362 E HN 0.514 nan 8.360 nan 0.000 0.491 363 E N 0.427 120.683 120.200 0.094 0.000 2.204 363 E HA -0.137 4.228 4.350 0.025 0.000 0.195 363 E C 2.072 178.737 176.600 0.109 0.000 0.990 363 E CA 0.734 57.186 56.400 0.087 0.000 0.821 363 E CB 0.065 29.810 29.700 0.075 0.000 0.750 363 E HN 0.369 nan 8.360 nan 0.000 0.477 364 L N -0.386 120.925 121.223 0.148 0.000 2.168 364 L HA 0.039 4.394 4.340 0.025 0.000 0.203 364 L C 0.648 177.641 176.870 0.205 0.000 1.078 364 L CA 0.474 55.441 54.840 0.211 0.000 0.780 364 L CB 0.407 42.668 42.059 0.337 0.000 0.939 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 0.622 120.631 119.914 0.159 0.000 2.445 365 V HA 0.311 4.446 4.120 0.025 0.000 0.283 365 V C -2.432 173.709 176.094 0.079 0.000 1.014 365 V CA -1.407 60.971 62.300 0.130 0.000 0.852 365 V CB 1.330 33.221 31.823 0.114 0.000 1.021 365 V HN -0.045 nan 8.190 nan 0.000 0.435 366 P HA 0.148 nan 4.420 nan 0.000 0.270 366 P C -0.265 177.035 177.300 -0.001 0.000 1.223 366 P CA -0.041 63.078 63.100 0.033 0.000 0.785 366 P CB 0.707 32.431 31.700 0.039 0.000 0.923 367 V N 3.160 123.040 119.914 -0.056 0.000 2.488 367 V HA 0.080 4.215 4.120 0.025 0.000 0.277 367 V C 0.530 176.614 176.094 -0.016 0.000 1.046 367 V CA 0.100 62.337 62.300 -0.104 0.000 0.986 367 V CB 0.124 31.801 31.823 -0.242 0.000 0.989 367 V HN 0.453 nan 8.190 nan 0.000 0.475 368 Q N 5.005 124.818 119.800 0.022 0.000 2.278 368 Q HA 0.445 4.800 4.340 0.025 0.000 0.257 368 Q C -0.343 175.654 176.000 -0.006 0.000 0.928 368 Q CA -0.605 55.212 55.803 0.024 0.000 0.932 368 Q CB 1.796 30.563 28.738 0.048 0.000 1.221 368 Q HN 0.629 nan 8.270 nan 0.000 0.434 369 R N 1.123 121.643 120.500 0.033 0.000 2.543 369 R HA 0.119 4.474 4.340 0.025 0.000 0.277 369 R C 0.344 176.685 176.300 0.068 0.000 1.074 369 R CA -0.145 56.016 56.100 0.102 0.000 1.076 369 R CB 0.589 31.016 30.300 0.211 0.000 0.993 369 R HN 0.416 nan 8.270 nan 0.000 0.459 370 V N 0.569 120.450 119.914 -0.055 0.000 3.159 370 V HA 0.337 4.472 4.120 0.025 0.000 0.234 370 V C 0.663 176.516 176.094 -0.402 0.000 1.313 370 V CA 0.975 63.110 62.300 -0.275 0.000 1.271 370 V CB 1.085 32.478 31.823 -0.716 0.000 1.053 370 V HN 1.029 nan 8.190 nan 0.000 0.476 371 G N -0.246 108.190 108.800 -0.606 0.000 2.342 371 G HA2 0.473 4.448 3.960 0.025 0.000 0.297 371 G HA3 0.473 4.448 3.960 0.025 0.000 0.297 371 G C -1.909 172.658 174.900 -0.555 0.000 1.313 371 G CA -0.527 43.899 45.100 -1.122 0.000 0.830 371 G HN 0.052 nan 8.290 nan 0.000 0.506 372 K N -0.318 119.766 120.400 -0.526 0.000 2.378 372 K HA 0.718 5.052 4.320 0.025 0.000 0.252 372 K C -0.886 175.769 176.600 0.093 0.000 0.931 372 K CA -0.801 55.478 56.287 -0.013 0.000 0.794 372 K CB 2.054 34.580 32.500 0.043 0.000 1.181 372 K HN 0.602 nan 8.250 nan 0.000 0.425 373 M N 4.550 124.338 119.600 0.313 0.000 2.311 373 M HA 0.409 4.904 4.480 0.025 0.000 0.325 373 M C -1.732 174.553 176.300 -0.026 0.000 1.061 373 M CA -0.774 54.644 55.300 0.197 0.000 0.957 373 M CB 1.708 34.458 32.600 0.249 0.000 1.646 373 M HN 0.339 nan 8.290 nan 0.000 0.434 374 V N 6.266 125.989 119.914 -0.318 0.000 2.487 374 V HA 0.443 4.578 4.120 0.025 0.000 0.298 374 V C -0.586 175.359 176.094 -0.249 0.000 1.028 374 V CA -0.704 61.415 62.300 -0.300 0.000 0.860 374 V CB 1.826 33.322 31.823 -0.546 0.000 0.991 374 V HN 0.806 nan 8.190 nan 0.000 0.427 375 L N 5.640 126.810 121.223 -0.089 0.000 2.262 375 L HA 0.502 4.856 4.340 0.025 0.000 0.288 375 L C 0.392 177.168 176.870 -0.157 0.000 1.035 375 L CA -0.298 54.496 54.840 -0.077 0.000 0.820 375 L CB 1.040 43.114 42.059 0.024 0.000 1.204 375 L HN 0.872 nan 8.230 nan 0.000 0.424 376 N N 2.507 121.027 118.700 -0.300 0.000 2.194 376 N HA 0.136 4.891 4.740 0.025 0.000 0.231 376 N C -0.054 175.275 175.510 -0.300 0.000 1.247 376 N CA -0.400 52.213 53.050 -0.729 0.000 0.884 376 N CB 0.786 38.509 38.487 -1.273 0.000 1.146 376 N HN 0.462 nan 8.380 nan 0.000 0.516 377 R N 0.346 120.777 120.500 -0.115 0.000 2.515 377 R HA 0.292 4.647 4.340 0.025 0.000 0.278 377 R C -1.205 175.051 176.300 -0.073 0.000 1.107 377 R CA -0.549 55.504 56.100 -0.078 0.000 0.945 377 R CB 1.255 31.515 30.300 -0.068 0.000 1.219 377 R HN 0.060 nan 8.270 nan 0.000 0.434 378 N N 3.533 122.065 118.700 -0.280 0.000 2.444 378 N HA 0.206 4.960 4.740 0.025 0.000 0.255 378 N C -2.255 173.195 175.510 -0.100 0.000 1.255 378 N CA -0.989 51.763 53.050 -0.496 0.000 0.933 378 N CB 0.394 37.922 38.487 -1.599 0.000 1.143 378 N HN 0.343 nan 8.380 nan 0.000 0.453 379 P HA 0.059 nan 4.420 nan 0.000 0.271 379 P C 0.082 177.573 177.300 0.318 0.000 1.244 379 P CA -0.052 63.244 63.100 0.326 0.000 0.793 379 P CB 0.980 32.926 31.700 0.410 0.000 0.984 380 D N -0.736 119.821 120.400 0.261 0.000 2.149 380 D HA -0.036 4.619 4.640 0.025 0.000 0.206 380 D C 0.562 177.041 176.300 0.298 0.000 0.967 380 D CA 1.444 55.595 54.000 0.252 0.000 0.848 380 D CB 0.118 41.007 40.800 0.148 0.000 0.998 380 D HN 0.411 nan 8.370 nan 0.000 0.474 381 N N -0.341 118.527 118.700 0.281 0.000 2.461 381 N HA 0.013 4.767 4.740 0.025 0.000 0.284 381 N C -0.028 175.696 175.510 0.357 0.000 1.049 381 N CA -0.335 52.893 53.050 0.297 0.000 0.889 381 N CB 1.605 40.233 38.487 0.234 0.000 1.365 381 N HN -0.150 nan 8.380 nan 0.000 0.499 382 F N 4.414 124.520 119.950 0.259 0.000 2.102 382 F HA -0.150 4.391 4.527 0.024 0.000 0.298 382 F C 1.714 177.654 175.800 0.234 0.000 1.105 382 F CA 1.416 59.573 58.000 0.261 0.000 1.239 382 F CB -0.122 39.006 39.000 0.213 0.000 0.991 382 F HN 0.598 nan 8.300 nan 0.000 0.474 383 F N 0.968 121.176 119.950 0.431 0.000 2.065 383 F HA -0.219 4.323 4.527 0.025 0.000 0.298 383 F C 2.321 178.186 175.800 0.108 0.000 1.112 383 F CA 1.960 60.117 58.000 0.263 0.000 1.212 383 F CB -0.948 38.178 39.000 0.210 0.000 0.975 383 F HN 0.013 nan 8.300 nan 0.000 0.476 384 A N -0.463 122.505 122.820 0.247 0.000 1.902 384 A HA -0.162 4.173 4.320 0.025 0.000 0.217 384 A C 2.080 179.604 177.584 -0.099 0.000 1.181 384 A CA 1.994 54.086 52.037 0.091 0.000 0.623 384 A CB -0.667 18.434 19.000 0.169 0.000 0.818 384 A HN 0.595 nan 8.150 nan 0.000 0.443 385 E N -1.370 118.788 120.200 -0.071 0.000 2.162 385 E HA -0.058 4.307 4.350 0.025 0.000 0.193 385 E C 1.951 178.475 176.600 -0.126 0.000 0.953 385 E CA 0.464 56.758 56.400 -0.177 0.000 0.849 385 E CB -0.093 29.549 29.700 -0.096 0.000 0.810 385 E HN 0.567 nan 8.360 nan 0.000 0.470 386 N N 1.301 119.918 118.700 -0.138 0.000 2.182 386 N HA -0.155 4.600 4.740 0.025 0.000 0.186 386 N C 1.816 177.148 175.510 -0.296 0.000 1.036 386 N CA 1.316 54.220 53.050 -0.243 0.000 0.850 386 N CB 0.096 38.044 38.487 -0.898 0.000 1.010 386 N HN -0.064 nan 8.380 nan 0.000 0.432 387 E N 0.822 120.780 120.200 -0.403 0.000 2.110 387 E HA -0.091 4.274 4.350 0.025 0.000 0.193 387 E C 1.691 178.095 176.600 -0.327 0.000 0.988 387 E CA 1.458 57.686 56.400 -0.286 0.000 0.804 387 E CB -0.148 29.389 29.700 -0.272 0.000 0.745 387 E HN 0.494 nan 8.360 nan 0.000 0.458 388 Q N -0.303 119.238 119.800 -0.431 0.000 2.425 388 Q HA 0.242 4.597 4.340 0.025 0.000 0.204 388 Q C 0.063 175.943 176.000 -0.201 0.000 0.933 388 Q CA 0.243 55.846 55.803 -0.333 0.000 0.939 388 Q CB 0.396 28.923 28.738 -0.352 0.000 1.044 388 Q HN 0.221 nan 8.270 nan 0.000 0.513 389 A N 1.206 123.932 122.820 -0.157 0.000 2.511 389 A HA 0.421 4.756 4.320 0.025 0.000 0.242 389 A C -0.123 177.351 177.584 -0.184 0.000 1.069 389 A CA 0.216 52.142 52.037 -0.185 0.000 0.763 389 A CB 0.185 19.151 19.000 -0.055 0.000 1.001 389 A HN 0.278 nan 8.150 nan 0.000 0.498 390 A N 2.542 125.201 122.820 -0.268 0.000 2.304 390 A HA 0.733 5.067 4.320 0.025 0.000 0.314 390 A C -0.744 176.714 177.584 -0.211 0.000 1.187 390 A CA -0.402 51.539 52.037 -0.159 0.000 0.810 390 A CB 0.316 19.223 19.000 -0.155 0.000 1.183 390 A HN 0.667 nan 8.150 nan 0.000 0.487 391 F N 0.827 120.784 119.950 0.012 0.000 2.522 391 F HA 0.663 5.205 4.527 0.025 0.000 0.324 391 F C 0.196 175.975 175.800 -0.035 0.000 1.077 391 F CA -0.208 57.777 58.000 -0.025 0.000 0.944 391 F CB 2.269 41.198 39.000 -0.119 0.000 1.175 391 F HN 0.770 nan 8.300 nan 0.000 0.468 392 H N 3.006 121.934 119.070 -0.236 0.000 3.099 392 H HA 0.263 4.834 4.556 0.025 0.000 0.342 392 H C -2.505 172.440 175.328 -0.637 0.000 1.054 392 H CA -1.622 54.053 56.048 -0.621 0.000 1.328 392 H CB 2.779 32.102 29.762 -0.732 0.000 1.876 392 H HN 0.195 nan 8.280 nan 0.000 0.495 393 P HA 0.010 nan 4.420 nan 0.000 0.233 393 P C 1.083 178.276 177.300 -0.178 0.000 1.167 393 P CA 1.195 63.998 63.100 -0.496 0.000 0.770 393 P CB 0.139 31.595 31.700 -0.407 0.000 0.837 394 G N -0.868 107.657 108.800 -0.459 0.000 2.598 394 G HA2 -0.152 3.823 3.960 0.025 0.000 0.215 394 G HA3 -0.152 3.823 3.960 0.025 0.000 0.215 394 G C 0.464 175.609 174.900 0.408 0.000 1.131 394 G CA -0.006 45.208 45.100 0.191 0.000 0.785 394 G HN 0.447 nan 8.290 nan 0.000 0.539 395 H N 0.748 119.962 119.070 0.240 0.000 3.092 395 H HA 0.333 4.904 4.556 0.024 0.000 0.263 395 H C 0.599 176.038 175.328 0.185 0.000 1.611 395 H CA -0.806 55.335 56.048 0.155 0.000 1.457 395 H CB -0.085 29.734 29.762 0.095 0.000 1.731 395 H HN 0.373 nan 8.280 nan 0.000 0.532 396 I N -0.445 120.247 120.570 0.202 0.000 3.205 396 I HA 0.670 4.855 4.170 0.025 0.000 0.310 396 I C -0.060 176.027 176.117 -0.050 0.000 1.089 396 I CA -1.414 59.923 61.300 0.062 0.000 1.023 396 I CB 1.737 39.661 38.000 -0.128 0.000 1.269 396 I HN 0.104 nan 8.210 nan 0.000 0.512 397 V N -2.584 117.278 119.914 -0.086 0.000 3.102 397 V HA 0.669 4.804 4.120 0.025 0.000 0.312 397 V C -2.872 173.315 176.094 0.154 0.000 1.135 397 V CA -2.506 59.809 62.300 0.024 0.000 1.022 397 V CB 1.062 32.888 31.823 0.004 0.000 1.056 397 V HN 0.611 nan 8.190 nan 0.000 0.436 398 P HA 0.392 nan 4.420 nan 0.000 0.265 398 P C 0.909 178.214 177.300 0.010 0.000 1.193 398 P CA 1.962 65.156 63.100 0.158 0.000 0.765 398 P CB 0.800 32.560 31.700 0.100 0.000 0.823 399 G N 1.562 110.321 108.800 -0.067 0.000 2.218 399 G HA2 -0.166 3.809 3.960 0.025 0.000 0.216 399 G HA3 -0.166 3.809 3.960 0.025 0.000 0.216 399 G C -0.249 174.565 174.900 -0.144 0.000 0.994 399 G CA -0.413 44.621 45.100 -0.111 0.000 0.637 399 G HN 0.443 nan 8.290 nan 0.000 0.505 400 L N 0.129 121.282 121.223 -0.116 0.000 2.323 400 L HA 0.909 5.264 4.340 0.025 0.000 0.265 400 L C -0.483 176.335 176.870 -0.086 0.000 1.012 400 L CA -1.051 53.698 54.840 -0.150 0.000 0.820 400 L CB 2.076 43.969 42.059 -0.276 0.000 1.334 400 L HN 0.101 nan 8.230 nan 0.000 0.427 401 D N -0.539 119.797 120.400 -0.107 0.000 2.665 401 D HA 0.459 5.113 4.640 0.025 0.000 0.287 401 D C -1.246 174.991 176.300 -0.104 0.000 1.266 401 D CA -0.355 53.542 54.000 -0.172 0.000 0.830 401 D CB 1.957 42.728 40.800 -0.048 0.000 1.356 401 D HN 0.109 nan 8.370 nan 0.000 0.437 402 F N -0.186 119.875 119.950 0.186 0.000 2.364 402 F HA 0.520 5.062 4.527 0.025 0.000 0.316 402 F C 1.492 177.287 175.800 -0.009 0.000 1.133 402 F CA -0.264 57.754 58.000 0.031 0.000 1.051 402 F CB 1.192 40.193 39.000 0.001 0.000 1.342 402 F HN 0.205 nan 8.300 nan 0.000 0.507 403 T N -3.279 111.344 114.554 0.115 0.000 2.742 403 T HA 0.304 4.669 4.350 0.025 0.000 0.282 403 T C 0.004 174.731 174.700 0.045 0.000 1.025 403 T CA -0.962 61.202 62.100 0.106 0.000 1.020 403 T CB 1.107 70.022 68.868 0.078 0.000 1.317 403 T HN 0.346 nan 8.240 nan 0.000 0.538 404 N N 1.053 119.788 118.700 0.059 0.000 2.449 404 N HA 0.054 4.809 4.740 0.025 0.000 0.191 404 N C 0.092 175.610 175.510 0.013 0.000 1.161 404 N CA 0.096 53.164 53.050 0.031 0.000 0.863 404 N CB -0.485 38.037 38.487 0.059 0.000 0.980 404 N HN 0.686 nan 8.380 nan 0.000 0.458 405 D N 2.368 122.762 120.400 -0.010 0.000 2.793 405 D HA -0.104 4.551 4.640 0.025 0.000 0.230 405 D C -1.393 174.903 176.300 -0.007 0.000 1.139 405 D CA -0.643 53.370 54.000 0.021 0.000 0.838 405 D CB 1.160 41.912 40.800 -0.079 0.000 1.149 405 D HN 0.176 nan 8.370 nan 0.000 0.526 406 P HA -0.075 nan 4.420 nan 0.000 0.241 406 P C 1.494 178.812 177.300 0.029 0.000 1.191 406 P CA 0.041 63.156 63.100 0.024 0.000 0.771 406 P CB 0.445 32.151 31.700 0.008 0.000 0.929 407 L N -0.029 121.231 121.223 0.062 0.000 2.071 407 L HA 0.010 4.365 4.340 0.025 0.000 0.201 407 L C 2.413 179.206 176.870 -0.128 0.000 1.076 407 L CA 1.227 56.099 54.840 0.052 0.000 0.755 407 L CB -1.560 40.617 42.059 0.195 0.000 0.915 407 L HN -0.182 nan 8.230 nan 0.000 0.445 408 L N -0.345 120.643 121.223 -0.392 0.000 2.013 408 L HA -0.274 4.081 4.340 0.025 0.000 0.212 408 L C 2.480 179.107 176.870 -0.405 0.000 1.073 408 L CA 1.893 56.294 54.840 -0.732 0.000 0.753 408 L CB -0.888 40.473 42.059 -1.164 0.000 0.890 408 L HN 0.409 nan 8.230 nan 0.000 0.432 409 Q N -0.300 119.333 119.800 -0.278 0.000 2.096 409 Q HA -0.160 4.194 4.340 0.025 0.000 0.204 409 Q C 2.114 178.036 176.000 -0.131 0.000 0.982 409 Q CA 1.795 57.473 55.803 -0.208 0.000 0.850 409 Q CB -0.767 27.898 28.738 -0.122 0.000 0.901 409 Q HN 0.722 nan 8.270 nan 0.000 0.422 410 G N 0.394 109.150 108.800 -0.074 0.000 2.448 410 G HA2 -0.196 3.778 3.960 0.025 0.000 0.218 410 G HA3 -0.196 3.778 3.960 0.025 0.000 0.218 410 G C 1.518 176.439 174.900 0.035 0.000 1.135 410 G CA 0.089 45.194 45.100 0.008 0.000 0.784 410 G HN 0.231 nan 8.290 nan 0.000 0.543 411 R N -0.117 120.349 120.500 -0.056 0.000 2.091 411 R HA 0.000 4.355 4.340 0.025 0.000 0.238 411 R C 2.505 178.876 176.300 0.118 0.000 1.136 411 R CA 1.000 57.119 56.100 0.032 0.000 0.959 411 R CB -0.477 29.786 30.300 -0.062 0.000 0.856 411 R HN 0.346 nan 8.270 nan 0.000 0.437 412 L N -0.408 120.783 121.223 -0.055 0.000 2.127 412 L HA -0.212 4.143 4.340 0.025 0.000 0.211 412 L C 2.292 179.299 176.870 0.227 0.000 1.089 412 L CA 1.097 55.932 54.840 -0.009 0.000 0.757 412 L CB -0.498 41.409 42.059 -0.253 0.000 0.899 412 L HN 0.156 nan 8.230 nan 0.000 0.434 413 F N 0.400 120.386 119.950 0.059 0.000 2.113 413 F HA -0.230 4.312 4.527 0.025 0.000 0.297 413 F C 2.862 178.712 175.800 0.084 0.000 1.103 413 F CA 1.741 59.773 58.000 0.055 0.000 1.248 413 F CB -0.338 38.673 39.000 0.018 0.000 0.999 413 F HN -0.030 nan 8.300 nan 0.000 0.475 414 S N -0.821 114.908 115.700 0.050 0.000 2.355 414 S HA -0.234 4.250 4.470 0.025 0.000 0.222 414 S C 2.066 176.558 174.600 -0.181 0.000 1.031 414 S CA 1.519 59.636 58.200 -0.138 0.000 0.993 414 S CB -0.842 62.297 63.200 -0.102 0.000 0.859 414 S HN 0.533 nan 8.310 nan 0.000 0.453 415 Y N 1.745 122.077 120.300 0.054 0.000 2.439 415 Y HA -0.037 4.528 4.550 0.025 0.000 0.292 415 Y C 3.000 178.607 175.900 -0.489 0.000 1.130 415 Y CA 1.220 59.371 58.100 0.086 0.000 1.254 415 Y CB -0.484 39.026 38.460 1.752 0.000 1.000 415 Y HN 0.544 nan 8.280 nan 0.000 0.554 416 T N -2.955 111.242 114.554 -0.595 0.000 2.894 416 T HA -0.137 4.228 4.350 0.025 0.000 0.258 416 T C 1.574 176.075 174.700 -0.332 0.000 1.043 416 T CA 1.228 63.062 62.100 -0.443 0.000 1.141 416 T CB -0.464 68.202 68.868 -0.337 0.000 0.873 416 T HN 0.247 nan 8.240 nan 0.000 0.449 417 D N 1.320 121.459 120.400 -0.436 0.000 2.104 417 D HA -0.143 4.512 4.640 0.025 0.000 0.194 417 D C 2.288 178.431 176.300 -0.263 0.000 0.994 417 D CA 1.960 55.720 54.000 -0.400 0.000 0.830 417 D CB -0.850 39.524 40.800 -0.710 0.000 0.959 417 D HN 0.399 nan 8.370 nan 0.000 0.452 418 T N -1.063 113.328 114.554 -0.273 0.000 2.833 418 T HA -0.151 4.214 4.350 0.025 0.000 0.269 418 T C 1.665 176.238 174.700 -0.211 0.000 1.054 418 T CA 1.269 63.248 62.100 -0.200 0.000 1.135 418 T CB -0.251 68.499 68.868 -0.197 0.000 0.869 418 T HN 0.126 nan 8.240 nan 0.000 0.466 419 Q N 0.728 120.328 119.800 -0.333 0.000 2.234 419 Q HA -0.017 4.338 4.340 0.025 0.000 0.206 419 Q C 2.226 178.110 176.000 -0.193 0.000 0.980 419 Q CA 0.777 56.328 55.803 -0.420 0.000 0.869 419 Q CB -0.501 27.570 28.738 -1.111 0.000 0.912 419 Q HN 0.514 nan 8.270 nan 0.000 0.436 420 I N 0.771 121.279 120.570 -0.102 0.000 2.394 420 I HA -0.185 4.000 4.170 0.025 0.000 0.251 420 I C 2.192 178.306 176.117 -0.004 0.000 1.136 420 I CA 1.523 62.823 61.300 -0.000 0.000 1.425 420 I CB -1.228 36.778 38.000 0.010 0.000 1.079 420 I HN 0.186 nan 8.210 nan 0.000 0.425 421 S N 0.274 115.956 115.700 -0.029 0.000 2.427 421 S HA -0.050 4.435 4.470 0.025 0.000 0.224 421 S C 2.150 176.739 174.600 -0.017 0.000 1.047 421 S CA 0.075 58.268 58.200 -0.011 0.000 0.953 421 S CB -0.338 62.859 63.200 -0.005 0.000 0.824 421 S HN 0.289 nan 8.310 nan 0.000 0.502 422 R N 0.998 121.469 120.500 -0.049 0.000 2.073 422 R HA 0.141 4.496 4.340 0.025 0.000 0.234 422 R C 1.377 177.653 176.300 -0.039 0.000 1.134 422 R CA 1.455 57.526 56.100 -0.047 0.000 0.952 422 R CB -0.248 30.001 30.300 -0.085 0.000 0.850 422 R HN 0.440 nan 8.270 nan 0.000 0.433 423 L N -0.828 120.361 121.223 -0.056 0.000 2.857 423 L HA 0.324 4.678 4.340 0.025 0.000 0.249 423 L C 0.810 177.695 176.870 0.026 0.000 1.172 423 L CA 0.302 55.129 54.840 -0.023 0.000 0.980 423 L CB 1.144 43.179 42.059 -0.040 0.000 1.299 423 L HN 0.598 nan 8.230 nan 0.000 0.535 424 G N 0.026 108.841 108.800 0.025 0.000 2.179 424 G HA2 -0.130 3.845 3.960 0.025 0.000 0.260 424 G HA3 -0.130 3.845 3.960 0.025 0.000 0.260 424 G C 0.461 175.399 174.900 0.064 0.000 0.977 424 G CA 0.029 45.152 45.100 0.039 0.000 0.641 424 G HN 0.788 nan 8.290 nan 0.000 0.533 425 G N -1.610 107.248 108.800 0.097 0.000 2.356 425 G HA2 0.585 4.560 3.960 0.025 0.000 0.288 425 G HA3 0.585 4.560 3.960 0.025 0.000 0.288 425 G C -2.140 172.889 174.900 0.214 0.000 1.302 425 G CA 0.378 45.551 45.100 0.121 0.000 0.887 425 G HN 0.480 nan 8.290 nan 0.000 0.521 426 P HA 0.113 nan 4.420 nan 0.000 0.249 426 P C 0.329 177.637 177.300 0.013 0.000 1.229 426 P CA 0.378 63.564 63.100 0.143 0.000 0.788 426 P CB 0.178 31.927 31.700 0.082 0.000 1.072 427 N N 0.416 119.126 118.700 0.018 0.000 2.327 427 N HA 0.058 4.813 4.740 0.025 0.000 0.231 427 N C 0.998 176.353 175.510 -0.258 0.000 1.130 427 N CA -0.158 52.808 53.050 -0.139 0.000 0.845 427 N CB -0.557 37.880 38.487 -0.083 0.000 1.073 427 N HN 0.269 nan 8.380 nan 0.000 0.496 428 F N 0.776 120.698 119.950 -0.047 0.000 2.365 428 F HA -0.053 4.488 4.527 0.023 0.000 0.300 428 F C 2.211 177.935 175.800 -0.127 0.000 1.090 428 F CA 0.736 58.684 58.000 -0.088 0.000 1.408 428 F CB -0.753 38.216 39.000 -0.051 0.000 1.060 428 F HN 0.163 nan 8.300 nan 0.000 0.534 429 H N 0.420 119.114 119.070 -0.625 0.000 2.546 429 H HA 0.065 4.636 4.556 0.025 0.000 0.277 429 H C 0.793 175.960 175.328 -0.269 0.000 1.004 429 H CA 1.330 57.111 56.048 -0.444 0.000 1.231 429 H CB -0.728 28.632 29.762 -0.670 0.000 1.382 429 H HN 0.533 nan 8.280 nan 0.000 0.580 430 E N 1.001 120.765 120.200 -0.726 0.000 2.474 430 E HA 0.181 4.545 4.350 0.025 0.000 0.194 430 E C 0.374 176.857 176.600 -0.195 0.000 1.041 430 E CA -0.304 55.846 56.400 -0.417 0.000 0.874 430 E CB 0.534 30.002 29.700 -0.387 0.000 0.914 430 E HN 0.428 nan 8.360 nan 0.000 0.498 431 I N 2.933 123.408 120.570 -0.158 0.000 2.741 431 I HA -0.077 4.108 4.170 0.025 0.000 0.288 431 I C -1.555 174.500 176.117 -0.103 0.000 1.192 431 I CA -1.162 60.075 61.300 -0.104 0.000 1.426 431 I CB 0.409 38.360 38.000 -0.082 0.000 1.367 431 I HN -0.187 nan 8.210 nan 0.000 0.563 432 P HA -0.242 nan 4.420 nan 0.000 0.216 432 P C 1.759 178.984 177.300 -0.126 0.000 1.157 432 P CA 1.253 64.296 63.100 -0.095 0.000 0.880 432 P CB 0.171 31.823 31.700 -0.080 0.000 0.791 433 I N -0.644 119.823 120.570 -0.172 0.000 2.335 433 I HA -0.221 3.964 4.170 0.025 0.000 0.251 433 I C 1.398 177.437 176.117 -0.130 0.000 1.129 433 I CA 1.760 62.906 61.300 -0.256 0.000 1.402 433 I CB -0.637 37.088 38.000 -0.458 0.000 1.069 433 I HN -0.107 nan 8.210 nan 0.000 0.424 434 N N 0.692 119.330 118.700 -0.103 0.000 2.446 434 N HA 0.007 4.761 4.740 0.025 0.000 0.179 434 N C 0.342 175.854 175.510 0.004 0.000 1.054 434 N CA 0.290 53.308 53.050 -0.053 0.000 0.905 434 N CB -0.182 38.292 38.487 -0.021 0.000 0.973 434 N HN 0.387 nan 8.380 nan 0.000 0.448 435 R N 1.539 122.036 120.500 -0.004 0.000 2.570 435 R HA 0.130 4.485 4.340 0.025 0.000 0.277 435 R C -2.206 174.151 176.300 0.096 0.000 1.039 435 R CA -1.108 54.994 56.100 0.003 0.000 1.065 435 R CB -0.112 30.177 30.300 -0.019 0.000 0.964 435 R HN 0.042 nan 8.270 nan 0.000 0.428 436 P HA -0.003 nan 4.420 nan 0.000 0.272 436 P C 0.592 177.966 177.300 0.124 0.000 1.223 436 P CA -0.033 63.143 63.100 0.126 0.000 0.784 436 P CB 0.749 32.476 31.700 0.046 0.000 0.923 437 T N -1.746 112.900 114.554 0.153 0.000 3.054 437 T HA 0.230 4.595 4.350 0.025 0.000 0.259 437 T C 0.926 175.676 174.700 0.084 0.000 1.092 437 T CA 0.055 62.200 62.100 0.075 0.000 1.121 437 T CB -0.321 68.577 68.868 0.051 0.000 0.912 437 T HN 0.448 nan 8.240 nan 0.000 0.489 438 A N 2.917 125.800 122.820 0.105 0.000 2.406 438 A HA 0.551 4.886 4.320 0.025 0.000 0.243 438 A C -2.232 175.412 177.584 0.100 0.000 1.082 438 A CA -1.339 50.757 52.037 0.097 0.000 0.786 438 A CB -0.400 18.659 19.000 0.098 0.000 1.029 438 A HN 0.271 nan 8.150 nan 0.000 0.495 439 P HA 0.288 nan 4.420 nan 0.000 0.268 439 P C -1.080 176.293 177.300 0.121 0.000 1.205 439 P CA 0.640 63.810 63.100 0.116 0.000 0.771 439 P CB 0.133 31.957 31.700 0.207 0.000 0.858 440 Y N 1.196 121.368 120.300 -0.214 0.000 2.373 440 Y HA 0.674 5.239 4.550 0.024 0.000 0.336 440 Y C -1.334 174.228 175.900 -0.563 0.000 0.979 440 Y CA -0.928 57.033 58.100 -0.232 0.000 1.080 440 Y CB 1.457 39.809 38.460 -0.181 0.000 1.190 440 Y HN 0.439 nan 8.280 nan 0.000 0.446 441 H N 3.625 122.577 119.070 -0.197 0.000 2.954 441 H HA 0.548 5.119 4.556 0.025 0.000 0.361 441 H C -1.178 174.012 175.328 -0.229 0.000 1.122 441 H CA -0.810 55.036 56.048 -0.338 0.000 1.217 441 H CB 1.710 31.313 29.762 -0.264 0.000 1.776 441 H HN 0.897 nan 8.280 nan 0.000 0.533 442 N N 0.280 118.853 118.700 -0.212 0.000 3.378 442 N HA 0.173 4.927 4.740 0.025 0.000 0.294 442 N C -1.274 173.987 175.510 -0.414 0.000 1.544 442 N CA -0.927 51.951 53.050 -0.287 0.000 0.872 442 N CB 0.603 39.085 38.487 -0.009 0.000 1.670 442 N HN 0.321 nan 8.380 nan 0.000 0.551 443 F N -0.353 119.634 119.950 0.063 0.000 2.641 443 F HA 0.367 4.908 4.527 0.024 0.000 0.302 443 F C 0.435 176.276 175.800 0.067 0.000 1.098 443 F CA -0.359 57.674 58.000 0.054 0.000 1.318 443 F CB 0.230 39.256 39.000 0.043 0.000 1.035 443 F HN 0.141 nan 8.300 nan 0.000 0.551 444 Q N 1.555 121.459 119.800 0.173 0.000 2.327 444 Q HA 0.415 4.770 4.340 0.025 0.000 0.254 444 Q C 0.018 176.094 176.000 0.127 0.000 0.952 444 Q CA -0.123 55.765 55.803 0.142 0.000 0.884 444 Q CB 1.060 29.859 28.738 0.101 0.000 1.224 444 Q HN 0.082 nan 8.270 nan 0.000 0.422 445 R N 1.756 122.325 120.500 0.114 0.000 2.808 445 R HA 0.391 4.746 4.340 0.025 0.000 0.272 445 R C -0.678 175.670 176.300 0.081 0.000 0.995 445 R CA -0.634 55.525 56.100 0.098 0.000 0.917 445 R CB 1.322 31.682 30.300 0.099 0.000 1.217 445 R HN 0.718 nan 8.270 nan 0.000 0.471 446 D N -0.234 120.206 120.400 0.067 0.000 3.555 446 D HA -0.141 4.514 4.640 0.025 0.000 0.215 446 D C 0.280 176.614 176.300 0.056 0.000 1.480 446 D CA 1.849 55.881 54.000 0.054 0.000 1.126 446 D CB -1.080 39.751 40.800 0.052 0.000 0.676 446 D HN 0.901 nan 8.370 nan 0.000 0.824 447 G N -1.170 107.661 108.800 0.052 0.000 2.733 447 G HA2 0.172 4.147 3.960 0.025 0.000 0.686 447 G HA3 0.172 4.147 3.960 0.025 0.000 0.686 447 G C -0.219 174.715 174.900 0.057 0.000 1.373 447 G CA 0.082 45.216 45.100 0.057 0.000 0.838 447 G HN 0.840 nan 8.290 nan 0.000 0.588 448 M N 1.184 120.824 119.600 0.067 0.000 2.251 448 M HA 0.456 4.950 4.480 0.025 0.000 0.343 448 M C 1.075 177.456 176.300 0.135 0.000 1.245 448 M CA 1.355 56.705 55.300 0.083 0.000 1.061 448 M CB -0.530 32.119 32.600 0.082 0.000 1.723 448 M HN 1.633 nan 8.290 nan 0.000 0.449 449 H N 1.069 120.144 119.070 0.008 0.000 2.677 449 H HA -0.189 4.381 4.556 0.023 0.000 0.321 449 H C -0.712 174.609 175.328 -0.012 0.000 1.171 449 H CA 0.628 56.676 56.048 0.001 0.000 1.139 449 H CB -0.610 29.155 29.762 0.005 0.000 1.515 449 H HN 0.655 nan 8.280 nan 0.000 0.423 450 R N 1.569 122.092 120.500 0.037 0.000 2.421 450 R HA 0.050 4.404 4.340 0.025 0.000 0.305 450 R C 0.904 177.199 176.300 -0.007 0.000 1.039 450 R CA 0.124 56.237 56.100 0.022 0.000 1.003 450 R CB 0.269 30.580 30.300 0.018 0.000 0.959 450 R HN 0.421 nan 8.270 nan 0.000 0.427 451 M N 2.664 122.274 119.600 0.016 0.000 2.398 451 M HA 0.222 4.717 4.480 0.025 0.000 0.261 451 M C 0.951 177.249 176.300 -0.005 0.000 1.125 451 M CA 1.054 56.358 55.300 0.007 0.000 1.183 451 M CB -0.955 31.660 32.600 0.025 0.000 1.322 451 M HN 0.713 nan 8.290 nan 0.000 0.467 452 G N 2.269 111.072 108.800 0.005 0.000 2.272 452 G HA2 0.316 4.291 3.960 0.025 0.000 0.247 452 G HA3 0.316 4.291 3.960 0.025 0.000 0.247 452 G C -0.283 174.612 174.900 -0.009 0.000 1.272 452 G CA -0.282 44.816 45.100 -0.004 0.000 0.921 452 G HN 0.341 nan 8.290 nan 0.000 0.495 453 I N 2.978 123.536 120.570 -0.021 0.000 2.306 453 I HA 0.104 4.289 4.170 0.025 0.000 0.288 453 I C -0.272 175.833 176.117 -0.019 0.000 1.036 453 I CA -0.527 60.764 61.300 -0.015 0.000 1.221 453 I CB 0.965 38.956 38.000 -0.015 0.000 1.385 453 I HN 0.340 nan 8.210 nan 0.000 0.472 454 D N 4.867 125.261 120.400 -0.010 0.000 2.312 454 D HA 0.083 4.738 4.640 0.025 0.000 0.252 454 D C 1.226 177.527 176.300 0.001 0.000 1.150 454 D CA 0.176 54.169 54.000 -0.013 0.000 0.870 454 D CB 1.934 42.734 40.800 0.000 0.000 1.153 454 D HN 0.574 nan 8.370 nan 0.000 0.457 455 T N -0.588 113.963 114.554 -0.006 0.000 3.044 455 T HA -0.060 4.305 4.350 0.025 0.000 0.250 455 T C 0.897 175.606 174.700 0.015 0.000 1.081 455 T CA -0.476 61.625 62.100 0.002 0.000 1.040 455 T CB 0.163 69.025 68.868 -0.009 0.000 0.962 455 T HN 0.110 nan 8.240 nan 0.000 0.506 456 N N 3.423 122.134 118.700 0.017 0.000 2.359 456 N HA 0.066 4.821 4.740 0.025 0.000 0.261 456 N C -1.680 173.873 175.510 0.071 0.000 1.267 456 N CA -1.365 51.712 53.050 0.045 0.000 0.864 456 N CB 1.341 39.858 38.487 0.050 0.000 1.063 456 N HN 0.088 nan 8.380 nan 0.000 0.474 457 P HA -0.052 nan 4.420 nan 0.000 0.218 457 P C -0.563 176.803 177.300 0.110 0.000 1.148 457 P CA 1.057 64.206 63.100 0.081 0.000 0.822 457 P CB 0.201 31.944 31.700 0.071 0.000 0.784 458 A N 0.530 123.405 122.820 0.091 0.000 2.301 458 A HA 0.377 4.712 4.320 0.025 0.000 0.312 458 A C 0.484 178.182 177.584 0.190 0.000 1.182 458 A CA -0.593 51.453 52.037 0.015 0.000 0.826 458 A CB -0.102 18.733 19.000 -0.275 0.000 1.134 458 A HN 0.300 nan 8.150 nan 0.000 0.501 459 N N 0.325 119.165 118.700 0.234 0.000 2.351 459 N HA 0.349 5.104 4.740 0.025 0.000 0.254 459 N C -0.887 174.789 175.510 0.277 0.000 1.241 459 N CA -0.364 52.909 53.050 0.371 0.000 0.883 459 N CB 0.353 39.008 38.487 0.280 0.000 1.202 459 N HN 0.686 nan 8.380 nan 0.000 0.512 460 Y N -0.991 119.162 120.300 -0.245 0.000 2.609 460 Y HA 0.676 5.241 4.550 0.024 0.000 0.336 460 Y C -1.455 173.809 175.900 -1.060 0.000 1.129 460 Y CA -1.369 56.422 58.100 -0.515 0.000 1.040 460 Y CB 1.033 39.355 38.460 -0.230 0.000 1.310 460 Y HN 0.066 nan 8.280 nan 0.000 0.460 461 E N 1.068 120.749 120.200 -0.864 0.000 2.356 461 E HA 0.656 5.021 4.350 0.025 0.000 0.275 461 E C -3.153 173.333 176.600 -0.190 0.000 0.904 461 E CA -2.046 53.961 56.400 -0.655 0.000 0.757 461 E CB 1.670 30.914 29.700 -0.760 0.000 1.232 461 E HN 0.570 nan 8.360 nan 0.000 0.442 462 P HA 0.270 nan 4.420 nan 0.000 0.275 462 P C -1.273 175.967 177.300 -0.100 0.000 1.228 462 P CA -0.416 62.611 63.100 -0.123 0.000 0.786 462 P CB 0.466 32.134 31.700 -0.054 0.000 0.927 463 N N -1.333 117.232 118.700 -0.224 0.000 2.262 463 N HA 0.343 5.098 4.740 0.025 0.000 0.295 463 N C 0.309 175.765 175.510 -0.089 0.000 1.161 463 N CA -0.779 52.153 53.050 -0.197 0.000 0.767 463 N CB 1.468 39.535 38.487 -0.701 0.000 1.499 463 N HN 0.192 nan 8.380 nan 0.000 0.476 464 S N 0.597 116.296 115.700 -0.001 0.000 2.497 464 S HA -0.010 4.475 4.470 0.025 0.000 0.218 464 S C 1.567 176.176 174.600 0.016 0.000 1.023 464 S CA 0.010 58.210 58.200 0.000 0.000 0.913 464 S CB -0.790 62.422 63.200 0.021 0.000 0.800 464 S HN 0.713 nan 8.310 nan 0.000 0.505 465 I N -0.624 119.965 120.570 0.032 0.000 2.756 465 I HA 0.176 4.361 4.170 0.025 0.000 0.262 465 I C 1.238 177.386 176.117 0.051 0.000 1.225 465 I CA 1.323 62.654 61.300 0.052 0.000 1.472 465 I CB -0.398 37.653 38.000 0.085 0.000 1.094 465 I HN 0.197 nan 8.210 nan 0.000 0.454 466 N N 1.033 119.760 118.700 0.044 0.000 2.299 466 N HA 0.048 4.803 4.740 0.025 0.000 0.246 466 N C -0.129 175.477 175.510 0.160 0.000 1.254 466 N CA -0.048 53.068 53.050 0.111 0.000 0.879 466 N CB 0.054 38.620 38.487 0.132 0.000 1.214 466 N HN 0.208 nan 8.380 nan 0.000 0.510 467 D N 0.654 121.096 120.400 0.069 0.000 2.837 467 D HA -0.251 4.404 4.640 0.025 0.000 0.230 467 D C -0.046 176.126 176.300 -0.212 0.000 1.152 467 D CA 1.113 55.115 54.000 0.003 0.000 0.736 467 D CB -1.393 39.485 40.800 0.130 0.000 1.084 467 D HN 0.483 nan 8.370 nan 0.000 0.429 468 N N -1.688 116.928 118.700 -0.141 0.000 2.753 468 N HA -0.248 4.507 4.740 0.025 0.000 0.251 468 N C -0.782 174.645 175.510 -0.137 0.000 1.097 468 N CA 1.449 54.390 53.050 -0.181 0.000 0.786 468 N CB -1.263 37.076 38.487 -0.247 0.000 1.137 468 N HN 0.550 nan 8.380 nan 0.000 0.566 469 W N 0.906 122.258 121.300 0.087 0.000 2.313 469 W HA 0.436 5.111 4.660 0.024 0.000 0.328 469 W C -1.636 174.921 176.519 0.064 0.000 1.197 469 W CA -1.615 55.761 57.345 0.051 0.000 1.235 469 W CB 0.545 29.985 29.460 -0.034 0.000 1.158 469 W HN -0.029 nan 8.180 nan 0.000 0.578 470 P HA 0.195 nan 4.420 nan 0.000 0.274 470 P C -0.683 176.745 177.300 0.214 0.000 1.231 470 P CA -0.146 63.086 63.100 0.221 0.000 0.790 470 P CB 0.960 32.625 31.700 -0.058 0.000 0.951 471 R N 1.054 121.673 120.500 0.198 0.000 2.604 471 R HA 0.320 4.675 4.340 0.025 0.000 0.287 471 R C 0.380 176.717 176.300 0.062 0.000 0.970 471 R CA -0.822 55.273 56.100 -0.008 0.000 0.946 471 R CB 1.261 31.335 30.300 -0.376 0.000 1.127 471 R HN 0.498 nan 8.270 nan 0.000 0.473 472 E N 0.654 120.877 120.200 0.039 0.000 2.438 472 E HA 0.034 4.399 4.350 0.025 0.000 0.261 472 E C -0.535 176.090 176.600 0.043 0.000 1.103 472 E CA 0.649 57.082 56.400 0.055 0.000 0.959 472 E CB 0.651 30.373 29.700 0.037 0.000 0.958 472 E HN 0.356 nan 8.360 nan 0.000 0.447 473 T N 3.010 117.599 114.554 0.058 0.000 2.937 473 T HA 0.311 4.675 4.350 0.025 0.000 0.297 473 T C -2.486 172.240 174.700 0.042 0.000 0.991 473 T CA -1.419 60.713 62.100 0.054 0.000 0.990 473 T CB 1.564 70.476 68.868 0.074 0.000 0.991 473 T HN 0.226 nan 8.240 nan 0.000 0.440 474 P HA 0.175 nan 4.420 nan 0.000 0.268 474 P C -2.333 174.974 177.300 0.012 0.000 1.208 474 P CA -0.975 62.133 63.100 0.014 0.000 0.777 474 P CB -0.144 31.560 31.700 0.007 0.000 0.875 475 P HA 0.216 nan 4.420 nan 0.000 0.269 475 P C -0.069 177.221 177.300 -0.017 0.000 1.215 475 P CA 0.352 63.439 63.100 -0.022 0.000 0.780 475 P CB 0.775 32.441 31.700 -0.057 0.000 0.898 476 G N 0.897 109.687 108.800 -0.018 0.000 2.554 476 G HA2 0.395 4.370 3.960 0.025 0.000 0.306 476 G HA3 0.395 4.370 3.960 0.025 0.000 0.306 476 G C -2.516 172.374 174.900 -0.016 0.000 1.320 476 G CA -0.687 44.405 45.100 -0.013 0.000 0.800 476 G HN 0.167 nan 8.290 nan 0.000 0.481 477 P HA 0.134 nan 4.420 nan 0.000 0.223 477 P C 0.045 177.341 177.300 -0.007 0.000 1.151 477 P CA 1.064 64.156 63.100 -0.014 0.000 0.787 477 P CB 0.365 32.059 31.700 -0.010 0.000 0.788 478 K N -0.591 119.811 120.400 0.005 0.000 2.542 478 K HA 0.277 4.611 4.320 0.025 0.000 0.259 478 K C -0.038 176.578 176.600 0.026 0.000 0.932 478 K CA -0.812 55.484 56.287 0.016 0.000 0.820 478 K CB 2.306 34.816 32.500 0.018 0.000 1.345 478 K HN -0.300 nan 8.250 nan 0.000 0.432 479 R N -0.683 119.840 120.500 0.039 0.000 3.875 479 R HA -0.145 4.210 4.340 0.025 0.000 0.321 479 R C 0.151 176.481 176.300 0.050 0.000 1.196 479 R CA 1.098 57.227 56.100 0.050 0.000 0.868 479 R CB -2.200 28.128 30.300 0.047 0.000 1.333 479 R HN 0.956 nan 8.270 nan 0.000 0.522 480 G N -0.657 108.168 108.800 0.042 0.000 2.477 480 G HA2 0.597 4.572 3.960 0.025 0.000 0.304 480 G HA3 0.597 4.572 3.960 0.025 0.000 0.304 480 G C 0.410 175.344 174.900 0.057 0.000 1.175 480 G CA 0.098 45.221 45.100 0.038 0.000 0.907 480 G HN 0.247 nan 8.290 nan 0.000 0.509 481 G N -1.130 107.706 108.800 0.059 0.000 2.594 481 G HA2 0.381 4.356 3.960 0.025 0.000 0.243 481 G HA3 0.381 4.356 3.960 0.025 0.000 0.243 481 G C -0.566 174.391 174.900 0.096 0.000 1.229 481 G CA -0.494 44.662 45.100 0.094 0.000 0.843 481 G HN 0.474 nan 8.290 nan 0.000 0.578 482 F N 0.507 120.472 119.950 0.025 0.000 2.456 482 F HA 0.416 4.959 4.527 0.025 0.000 0.358 482 F C 0.512 176.326 175.800 0.024 0.000 1.095 482 F CA -0.247 57.763 58.000 0.017 0.000 1.216 482 F CB 0.892 39.905 39.000 0.021 0.000 1.125 482 F HN 0.470 nan 8.300 nan 0.000 0.549 483 E N 3.911 123.736 120.200 -0.625 0.000 2.292 483 E HA 0.334 4.699 4.350 0.025 0.000 0.272 483 E C -1.249 174.986 176.600 -0.610 0.000 0.881 483 E CA -0.812 55.371 56.400 -0.361 0.000 0.754 483 E CB 1.760 31.342 29.700 -0.197 0.000 1.201 483 E HN 0.617 nan 8.360 nan 0.000 0.425 484 S N 2.187 117.756 115.700 -0.219 0.000 2.580 484 S HA 0.064 4.549 4.470 0.025 0.000 0.274 484 S C -0.669 173.899 174.600 -0.054 0.000 1.329 484 S CA -0.413 57.739 58.200 -0.079 0.000 1.036 484 S CB 0.212 63.506 63.200 0.156 0.000 0.919 484 S HN 0.470 nan 8.310 nan 0.000 0.515 485 Y N 2.368 122.591 120.300 -0.129 0.000 2.717 485 Y HA -0.038 4.527 4.550 0.025 0.000 0.330 485 Y C 0.891 176.766 175.900 -0.040 0.000 1.217 485 Y CA 0.350 58.392 58.100 -0.096 0.000 1.506 485 Y CB 0.199 38.601 38.460 -0.097 0.000 1.268 485 Y HN 0.581 nan 8.280 nan 0.000 0.561 486 Q N 5.264 124.683 119.800 -0.636 0.000 3.247 486 Q HA 0.024 4.379 4.340 0.025 0.000 0.326 486 Q C -0.258 175.445 176.000 -0.495 0.000 1.402 486 Q CA -0.091 55.456 55.803 -0.427 0.000 0.994 486 Q CB -0.156 28.398 28.738 -0.307 0.000 1.647 486 Q HN 0.648 nan 8.270 nan 0.000 0.523 487 E N 1.569 121.549 120.200 -0.366 0.000 2.414 487 E HA -0.040 4.325 4.350 0.025 0.000 0.263 487 E C -0.292 176.272 176.600 -0.059 0.000 1.000 487 E CA -0.232 56.087 56.400 -0.136 0.000 0.914 487 E CB 0.655 30.417 29.700 0.104 0.000 0.948 487 E HN 0.255 nan 8.360 nan 0.000 0.444 488 R N 3.412 123.901 120.500 -0.019 0.000 2.401 488 R HA 0.168 4.523 4.340 0.025 0.000 0.299 488 R C -1.181 175.141 176.300 0.035 0.000 1.064 488 R CA -0.381 55.721 56.100 0.003 0.000 1.000 488 R CB 0.593 30.902 30.300 0.015 0.000 0.973 488 R HN 0.314 nan 8.270 nan 0.000 0.438 489 V N 4.502 124.431 119.914 0.023 0.000 2.459 489 V HA 0.408 4.543 4.120 0.025 0.000 0.295 489 V C -0.243 175.864 176.094 0.022 0.000 1.029 489 V CA -0.517 61.801 62.300 0.031 0.000 0.874 489 V CB 1.527 33.366 31.823 0.026 0.000 0.985 489 V HN 0.824 nan 8.190 nan 0.000 0.438 490 E N 2.425 122.640 120.200 0.024 0.000 2.343 490 E HA 0.609 4.974 4.350 0.025 0.000 0.288 490 E C -0.526 176.080 176.600 0.011 0.000 0.907 490 E CA -0.054 56.354 56.400 0.015 0.000 0.792 490 E CB 2.122 31.832 29.700 0.016 0.000 1.275 490 E HN 1.012 nan 8.360 nan 0.000 0.402 491 G N 2.906 111.707 108.800 0.002 0.000 2.337 491 G HA2 0.057 4.032 3.960 0.025 0.000 0.298 491 G HA3 0.057 4.032 3.960 0.025 0.000 0.298 491 G C -1.415 173.480 174.900 -0.008 0.000 1.335 491 G CA -0.937 44.160 45.100 -0.004 0.000 0.875 491 G HN 0.391 nan 8.290 nan 0.000 0.579 492 N N 0.176 118.868 118.700 -0.013 0.000 2.495 492 N HA 0.364 5.119 4.740 0.025 0.000 0.280 492 N C -0.165 175.333 175.510 -0.021 0.000 1.168 492 N CA -0.315 52.725 53.050 -0.016 0.000 0.978 492 N CB 1.150 39.627 38.487 -0.018 0.000 1.191 492 N HN 0.471 nan 8.380 nan 0.000 0.497 493 K N 0.923 121.310 120.400 -0.022 0.000 2.351 493 K HA 0.193 4.528 4.320 0.025 0.000 0.287 493 K C -0.390 176.189 176.600 -0.035 0.000 1.068 493 K CA -0.145 56.126 56.287 -0.028 0.000 0.998 493 K CB -0.032 32.453 32.500 -0.025 0.000 0.968 493 K HN 0.339 nan 8.250 nan 0.000 0.464 494 V N 0.362 120.250 119.914 -0.042 0.000 2.925 494 V HA 0.483 4.618 4.120 0.025 0.000 0.311 494 V C -0.595 175.460 176.094 -0.065 0.000 1.104 494 V CA -1.352 60.918 62.300 -0.049 0.000 0.954 494 V CB 2.019 33.814 31.823 -0.046 0.000 1.022 494 V HN 0.625 nan 8.190 nan 0.000 0.427 495 R N 2.347 122.804 120.500 -0.071 0.000 2.369 495 R HA 0.633 4.988 4.340 0.025 0.000 0.310 495 R C -0.527 175.726 176.300 -0.078 0.000 1.141 495 R CA -0.161 55.885 56.100 -0.090 0.000 1.116 495 R CB 0.924 31.157 30.300 -0.113 0.000 1.135 495 R HN 0.946 nan 8.270 nan 0.000 0.529 496 E N 2.006 122.156 120.200 -0.083 0.000 2.335 496 E HA 0.255 4.620 4.350 0.025 0.000 0.280 496 E C -1.312 175.221 176.600 -0.112 0.000 0.918 496 E CA -1.014 55.339 56.400 -0.078 0.000 0.765 496 E CB 1.593 31.253 29.700 -0.066 0.000 1.218 496 E HN 0.118 nan 8.360 nan 0.000 0.425 497 R N 1.682 122.119 120.500 -0.105 0.000 2.357 497 R HA 0.277 4.632 4.340 0.025 0.000 0.296 497 R C -0.630 175.558 176.300 -0.187 0.000 1.052 497 R CA -0.055 55.942 56.100 -0.172 0.000 0.988 497 R CB 1.380 31.637 30.300 -0.070 0.000 1.025 497 R HN 0.404 nan 8.270 nan 0.000 0.469 498 S N 4.571 120.059 115.700 -0.353 0.000 2.537 498 S HA 0.131 4.615 4.470 0.025 0.000 0.286 498 S C -1.596 172.990 174.600 -0.024 0.000 1.299 498 S CA -1.170 56.913 58.200 -0.195 0.000 1.067 498 S CB 0.692 63.738 63.200 -0.256 0.000 0.864 498 S HN 0.525 nan 8.310 nan 0.000 0.494 499 P HA -0.083 nan 4.420 nan 0.000 0.221 499 P C 1.389 178.744 177.300 0.092 0.000 1.145 499 P CA 1.014 64.141 63.100 0.044 0.000 0.795 499 P CB -0.018 31.696 31.700 0.023 0.000 0.775 500 S N -2.170 113.625 115.700 0.158 0.000 2.474 500 S HA -0.082 4.403 4.470 0.025 0.000 0.235 500 S C 1.416 176.175 174.600 0.264 0.000 0.997 500 S CA 0.745 59.066 58.200 0.202 0.000 0.949 500 S CB -1.308 62.044 63.200 0.253 0.000 0.766 500 S HN -0.007 nan 8.310 nan 0.000 0.517 501 F N 2.380 122.326 119.950 -0.008 0.000 2.789 501 F HA 0.373 4.915 4.527 0.025 0.000 0.300 501 F C 1.966 177.709 175.800 -0.094 0.000 1.132 501 F CA -0.758 57.234 58.000 -0.014 0.000 1.404 501 F CB -0.632 38.389 39.000 0.035 0.000 1.114 501 F HN 0.352 nan 8.300 nan 0.000 0.584 502 G N 0.489 109.293 108.800 0.007 0.000 3.471 502 G HA2 0.088 4.063 3.960 0.025 0.000 0.254 502 G HA3 0.088 4.063 3.960 0.025 0.000 0.254 502 G C -0.027 174.467 174.900 -0.677 0.000 1.199 502 G CA 0.104 45.039 45.100 -0.274 0.000 1.683 502 G HN 0.049 nan 8.290 nan 0.000 0.625 503 E N 0.015 119.747 120.200 -0.780 0.000 2.275 503 E HA 0.366 4.731 4.350 0.025 0.000 0.270 503 E C -0.866 175.298 176.600 -0.727 0.000 0.882 503 E CA -0.767 55.233 56.400 -0.667 0.000 0.758 503 E CB 1.641 31.199 29.700 -0.237 0.000 1.195 503 E HN 0.194 nan 8.360 nan 0.000 0.419 504 Y N 2.381 122.482 120.300 -0.332 0.000 2.425 504 Y HA 0.186 4.751 4.550 0.025 0.000 0.261 504 Y C 0.838 176.466 175.900 -0.453 0.000 1.084 504 Y CA -0.113 57.695 58.100 -0.487 0.000 1.248 504 Y CB 0.362 38.388 38.460 -0.723 0.000 1.270 504 Y HN 0.425 nan 8.280 nan 0.000 0.524 505 Y N -1.562 118.827 120.300 0.147 0.000 2.498 505 Y HA 0.160 4.725 4.550 0.025 0.000 0.259 505 Y C 2.223 178.188 175.900 0.109 0.000 1.086 505 Y CA 0.229 58.410 58.100 0.135 0.000 1.287 505 Y CB -0.178 38.363 38.460 0.134 0.000 1.146 505 Y HN -0.118 nan 8.280 nan 0.000 0.523 506 S N -0.605 115.228 115.700 0.223 0.000 2.387 506 S HA -0.154 4.331 4.470 0.025 0.000 0.226 506 S C 1.417 176.082 174.600 0.107 0.000 1.026 506 S CA 1.397 59.703 58.200 0.178 0.000 0.972 506 S CB -0.268 63.039 63.200 0.178 0.000 0.814 506 S HN 0.487 nan 8.310 nan 0.000 0.477 507 H N 1.351 120.349 119.070 -0.120 0.000 2.363 507 H HA 0.062 4.633 4.556 0.025 0.000 0.301 507 H C -0.663 174.478 175.328 -0.311 0.000 1.074 507 H CA 1.033 56.861 56.048 -0.368 0.000 1.354 507 H CB -1.636 27.673 29.762 -0.756 0.000 1.397 507 H HN 0.298 nan 8.280 nan 0.000 0.516 508 P HA -0.188 nan 4.420 nan 0.000 0.216 508 P C 1.495 178.984 177.300 0.315 0.000 1.153 508 P CA 1.701 64.961 63.100 0.268 0.000 0.858 508 P CB 0.084 31.971 31.700 0.312 0.000 0.789 509 R N -0.418 120.218 120.500 0.227 0.000 2.081 509 R HA -0.141 4.214 4.340 0.025 0.000 0.235 509 R C 2.179 178.610 176.300 0.218 0.000 1.131 509 R CA 1.224 57.460 56.100 0.228 0.000 0.960 509 R CB -1.077 29.318 30.300 0.159 0.000 0.856 509 R HN 0.073 nan 8.270 nan 0.000 0.436 510 L N 0.401 121.691 121.223 0.112 0.000 2.079 510 L HA -0.139 4.215 4.340 0.025 0.000 0.210 510 L C 1.947 178.879 176.870 0.103 0.000 1.081 510 L CA 1.694 56.563 54.840 0.048 0.000 0.752 510 L CB -0.607 41.398 42.059 -0.090 0.000 0.896 510 L HN 0.231 nan 8.230 nan 0.000 0.433 511 F N -0.883 119.101 119.950 0.057 0.000 2.113 511 F HA -0.253 4.289 4.527 0.025 0.000 0.297 511 F C 2.321 178.137 175.800 0.026 0.000 1.103 511 F CA 2.049 60.069 58.000 0.033 0.000 1.248 511 F CB -0.614 38.445 39.000 0.098 0.000 0.999 511 F HN 0.357 nan 8.300 nan 0.000 0.475 512 W N 1.394 122.706 121.300 0.020 0.000 2.335 512 W HA -0.248 4.427 4.660 0.025 0.000 0.311 512 W C 1.638 178.043 176.519 -0.190 0.000 1.213 512 W CA 1.749 59.042 57.345 -0.087 0.000 1.274 512 W CB -0.684 28.808 29.460 0.053 0.000 1.148 512 W HN 0.090 nan 8.180 nan 0.000 0.498 513 L N 1.066 122.226 121.223 -0.105 0.000 2.376 513 L HA -0.134 4.221 4.340 0.025 0.000 0.219 513 L C 2.334 179.018 176.870 -0.311 0.000 1.133 513 L CA 0.956 55.660 54.840 -0.226 0.000 0.816 513 L CB -0.583 41.469 42.059 -0.012 0.000 0.933 513 L HN -0.146 nan 8.230 nan 0.000 0.449 514 S N -1.514 113.978 115.700 -0.346 0.000 2.528 514 S HA 0.058 4.543 4.470 0.025 0.000 0.219 514 S C 0.741 175.048 174.600 -0.489 0.000 0.985 514 S CA 0.062 58.053 58.200 -0.350 0.000 0.914 514 S CB 0.067 63.091 63.200 -0.293 0.000 0.776 514 S HN 0.289 nan 8.310 nan 0.000 0.526 515 Q N 2.199 121.601 119.800 -0.664 0.000 2.260 515 Q HA 0.291 4.645 4.340 0.025 0.000 0.242 515 Q C 0.647 176.246 176.000 -0.668 0.000 0.932 515 Q CA -0.088 55.287 55.803 -0.714 0.000 0.891 515 Q CB 0.397 28.645 28.738 -0.817 0.000 1.222 515 Q HN 0.428 nan 8.270 nan 0.000 0.453 516 T N -1.893 112.216 114.554 -0.741 0.000 2.726 516 T HA 0.158 4.523 4.350 0.025 0.000 0.294 516 T C -1.761 172.461 174.700 -0.797 0.000 1.013 516 T CA -1.267 60.351 62.100 -0.803 0.000 0.996 516 T CB 0.249 68.359 68.868 -1.262 0.000 1.016 516 T HN 0.223 nan 8.240 nan 0.000 0.529 517 P HA 0.017 nan 4.420 nan 0.000 0.217 517 P C 1.431 178.536 177.300 -0.324 0.000 1.150 517 P CA 0.872 63.754 63.100 -0.364 0.000 0.832 517 P CB -0.246 31.357 31.700 -0.161 0.000 0.787 518 F N 0.098 119.867 119.950 -0.300 0.000 2.186 518 F HA -0.025 4.517 4.527 0.025 0.000 0.299 518 F C 1.831 177.303 175.800 -0.546 0.000 1.090 518 F CA 1.011 58.773 58.000 -0.397 0.000 1.307 518 F CB -1.687 37.064 39.000 -0.416 0.000 1.019 518 F HN -0.100 nan 8.300 nan 0.000 0.489 519 E N 0.478 120.130 120.200 -0.914 0.000 2.110 519 E HA -0.217 4.148 4.350 0.025 0.000 0.193 519 E C 2.237 178.650 176.600 -0.311 0.000 0.988 519 E CA 1.483 57.563 56.400 -0.534 0.000 0.804 519 E CB -0.283 29.043 29.700 -0.624 0.000 0.745 519 E HN 0.635 nan 8.360 nan 0.000 0.458 520 Q N 0.228 119.759 119.800 -0.448 0.000 2.084 520 Q HA -0.203 4.152 4.340 0.025 0.000 0.202 520 Q C 2.250 178.283 176.000 0.055 0.000 0.978 520 Q CA 1.244 56.822 55.803 -0.375 0.000 0.844 520 Q CB -0.149 28.096 28.738 -0.821 0.000 0.898 520 Q HN -0.004 nan 8.270 nan 0.000 0.426 521 R N 0.581 121.089 120.500 0.014 0.000 2.091 521 R HA -0.172 4.183 4.340 0.025 0.000 0.238 521 R C 1.629 178.121 176.300 0.319 0.000 1.136 521 R CA 1.977 58.180 56.100 0.173 0.000 0.959 521 R CB -0.522 29.857 30.300 0.132 0.000 0.856 521 R HN 0.501 nan 8.270 nan 0.000 0.437 522 H N -0.906 118.265 119.070 0.168 0.000 2.423 522 H HA -0.002 4.569 4.556 0.025 0.000 0.297 522 H C 2.053 177.508 175.328 0.211 0.000 1.075 522 H CA 1.112 57.277 56.048 0.194 0.000 1.342 522 H CB 0.011 29.895 29.762 0.203 0.000 1.395 522 H HN 0.177 nan 8.280 nan 0.000 0.530 523 I N 0.297 121.092 120.570 0.375 0.000 2.127 523 I HA -0.276 3.909 4.170 0.025 0.000 0.241 523 I C 2.348 178.773 176.117 0.513 0.000 1.075 523 I CA 0.926 62.490 61.300 0.440 0.000 1.334 523 I CB -0.224 38.129 38.000 0.588 0.000 1.040 523 I HN 0.074 nan 8.210 nan 0.000 0.405 524 V N 0.814 121.015 119.914 0.479 0.000 2.287 524 V HA -0.324 3.811 4.120 0.025 0.000 0.248 524 V C 2.043 178.323 176.094 0.311 0.000 1.053 524 V CA 2.154 64.678 62.300 0.375 0.000 1.027 524 V CB -0.667 31.334 31.823 0.297 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.269 120.836 120.400 0.278 0.000 2.178 525 D HA -0.072 4.583 4.640 0.025 0.000 0.202 525 D C 2.161 178.558 176.300 0.162 0.000 0.974 525 D CA 1.416 55.546 54.000 0.217 0.000 0.841 525 D CB -0.541 40.388 40.800 0.215 0.000 0.953 525 D HN 0.470 nan 8.370 nan 0.000 0.478 526 G N 0.229 109.112 108.800 0.137 0.000 2.433 526 G HA2 -0.264 3.711 3.960 0.025 0.000 0.216 526 G HA3 -0.264 3.711 3.960 0.025 0.000 0.216 526 G C 1.449 176.369 174.900 0.034 0.000 1.186 526 G CA 0.241 45.336 45.100 -0.008 0.000 0.779 526 G HN 0.168 nan 8.290 nan 0.000 0.543 527 F N 1.844 121.840 119.950 0.077 0.000 2.126 527 F HA -0.107 4.435 4.527 0.025 0.000 0.299 527 F C 3.167 178.885 175.800 -0.136 0.000 1.096 527 F CA 1.671 59.647 58.000 -0.041 0.000 1.255 527 F CB -0.311 38.681 39.000 -0.014 0.000 0.997 527 F HN 0.095 nan 8.300 nan 0.000 0.479 528 S N -0.378 115.423 115.700 0.167 0.000 2.368 528 S HA -0.184 4.300 4.470 0.025 0.000 0.224 528 S C 1.862 176.470 174.600 0.014 0.000 1.029 528 S CA 1.125 59.363 58.200 0.064 0.000 0.988 528 S CB -0.739 62.523 63.200 0.104 0.000 0.838 528 S HN 0.416 nan 8.310 nan 0.000 0.462 529 F N 2.495 122.406 119.950 -0.064 0.000 2.113 529 F HA -0.045 4.497 4.527 0.024 0.000 0.297 529 F C 2.339 178.071 175.800 -0.112 0.000 1.103 529 F CA 1.320 59.271 58.000 -0.082 0.000 1.248 529 F CB -0.183 38.705 39.000 -0.186 0.000 0.999 529 F HN 0.105 nan 8.300 nan 0.000 0.475 530 E N 0.582 120.718 120.200 -0.107 0.000 2.072 530 E HA -0.190 4.175 4.350 0.025 0.000 0.191 530 E C 2.341 178.714 176.600 -0.377 0.000 0.985 530 E CA 1.482 57.787 56.400 -0.158 0.000 0.801 530 E CB -0.444 29.328 29.700 0.120 0.000 0.750 530 E HN 0.473 nan 8.360 nan 0.000 0.452 531 L N 1.367 122.293 121.223 -0.494 0.000 2.275 531 L HA -0.121 4.234 4.340 0.025 0.000 0.215 531 L C 2.677 179.366 176.870 -0.302 0.000 1.119 531 L CA 0.983 55.515 54.840 -0.514 0.000 0.790 531 L CB -0.381 41.402 42.059 -0.460 0.000 0.919 531 L HN 0.138 nan 8.230 nan 0.000 0.443 532 S N -0.769 114.765 115.700 -0.277 0.000 2.447 532 S HA -0.115 4.369 4.470 0.025 0.000 0.233 532 S C 1.762 176.232 174.600 -0.217 0.000 1.006 532 S CA 0.646 58.712 58.200 -0.222 0.000 0.957 532 S CB -0.100 62.971 63.200 -0.215 0.000 0.773 532 S HN 0.232 nan 8.310 nan 0.000 0.507 533 K N 1.257 121.500 120.400 -0.262 0.000 2.444 533 K HA 0.352 4.687 4.320 0.025 0.000 0.193 533 K C -0.149 176.437 176.600 -0.024 0.000 1.024 533 K CA -0.060 56.143 56.287 -0.139 0.000 1.077 533 K CB -0.045 32.370 32.500 -0.142 0.000 0.833 533 K HN 0.326 nan 8.250 nan 0.000 0.517 534 V N 1.959 121.835 119.914 -0.064 0.000 2.408 534 V HA 0.027 4.162 4.120 0.025 0.000 0.267 534 V C 1.623 177.697 176.094 -0.032 0.000 1.047 534 V CA -0.129 62.160 62.300 -0.018 0.000 0.937 534 V CB 1.407 33.185 31.823 -0.075 0.000 0.999 534 V HN -0.137 nan 8.190 nan 0.000 0.472 535 V N 5.174 125.095 119.914 0.011 0.000 2.488 535 V HA -0.007 4.128 4.120 0.025 0.000 0.246 535 V C 1.326 177.409 176.094 -0.018 0.000 1.046 535 V CA 1.137 63.444 62.300 0.011 0.000 1.053 535 V CB -0.396 31.454 31.823 0.045 0.000 0.679 535 V HN 0.750 nan 8.190 nan 0.000 0.458 536 R N 1.102 121.569 120.500 -0.055 0.000 2.288 536 R HA 0.163 4.518 4.340 0.025 0.000 0.330 536 R C -1.733 174.459 176.300 -0.181 0.000 1.069 536 R CA -1.296 54.746 56.100 -0.096 0.000 0.941 536 R CB 0.564 30.743 30.300 -0.203 0.000 0.998 536 R HN 0.264 nan 8.270 nan 0.000 0.452 537 P HA -0.169 nan 4.420 nan 0.000 0.221 537 P C 0.670 177.930 177.300 -0.066 0.000 1.150 537 P CA 0.934 64.000 63.100 -0.056 0.000 0.800 537 P CB 0.004 31.706 31.700 0.005 0.000 0.787 538 Y N -1.054 119.246 120.300 -0.000 0.000 2.315 538 Y HA -0.112 4.453 4.550 0.025 0.000 0.288 538 Y C 1.894 177.800 175.900 0.009 0.000 1.154 538 Y CA 0.814 58.915 58.100 0.002 0.000 1.229 538 Y CB -1.782 36.679 38.460 0.003 0.000 0.980 538 Y HN -0.118 nan 8.280 nan 0.000 0.540 539 I N 0.785 120.916 120.570 -0.732 0.000 2.252 539 I HA -0.222 3.962 4.170 0.025 0.000 0.245 539 I C 2.513 178.534 176.117 -0.161 0.000 1.102 539 I CA 1.260 62.308 61.300 -0.419 0.000 1.385 539 I CB -0.388 37.362 38.000 -0.417 0.000 1.064 539 I HN 0.175 nan 8.210 nan 0.000 0.414 540 R N 0.903 121.300 120.500 -0.171 0.000 2.083 540 R HA -0.204 4.150 4.340 0.025 0.000 0.237 540 R C 2.148 178.398 176.300 -0.083 0.000 1.137 540 R CA 1.625 57.642 56.100 -0.137 0.000 0.951 540 R CB -0.474 29.744 30.300 -0.137 0.000 0.851 540 R HN 0.444 nan 8.270 nan 0.000 0.434 541 E N 0.501 120.674 120.200 -0.046 0.000 2.038 541 E HA -0.211 4.154 4.350 0.025 0.000 0.195 541 E C 2.167 178.773 176.600 0.010 0.000 1.000 541 E CA 1.315 57.711 56.400 -0.007 0.000 0.803 541 E CB -0.083 29.637 29.700 0.034 0.000 0.750 541 E HN 0.290 nan 8.360 nan 0.000 0.448 542 R N 0.250 120.771 120.500 0.036 0.000 2.096 542 R HA -0.119 4.236 4.340 0.025 0.000 0.235 542 R C 2.403 178.733 176.300 0.050 0.000 1.127 542 R CA 1.115 57.251 56.100 0.060 0.000 0.968 542 R CB -0.252 30.103 30.300 0.092 0.000 0.861 542 R HN 0.071 nan 8.270 nan 0.000 0.440 543 V N 0.176 120.112 119.914 0.037 0.000 2.453 543 V HA -0.178 3.957 4.120 0.025 0.000 0.247 543 V C 2.259 178.345 176.094 -0.012 0.000 1.048 543 V CA 1.366 63.705 62.300 0.064 0.000 1.049 543 V CB -0.208 31.669 31.823 0.090 0.000 0.672 543 V HN 0.120 nan 8.190 nan 0.000 0.457 544 V N 0.537 120.416 119.914 -0.059 0.000 2.343 544 V HA -0.313 3.822 4.120 0.025 0.000 0.247 544 V C 2.326 178.381 176.094 -0.065 0.000 1.051 544 V CA 2.487 64.727 62.300 -0.101 0.000 1.036 544 V CB -0.662 31.103 31.823 -0.097 0.000 0.654 544 V HN 0.652 nan 8.190 nan 0.000 0.451 545 D N -0.428 119.966 120.400 -0.009 0.000 2.133 545 D HA -0.236 4.419 4.640 0.025 0.000 0.195 545 D C 2.266 178.642 176.300 0.126 0.000 0.997 545 D CA 1.668 55.693 54.000 0.041 0.000 0.840 545 D CB -0.076 40.770 40.800 0.076 0.000 0.947 545 D HN 0.546 nan 8.370 nan 0.000 0.452 546 Q N -0.421 119.438 119.800 0.098 0.000 2.084 546 Q HA -0.097 4.258 4.340 0.025 0.000 0.202 546 Q C 2.522 178.552 176.000 0.051 0.000 0.978 546 Q CA 0.821 56.695 55.803 0.119 0.000 0.844 546 Q CB -0.128 28.699 28.738 0.148 0.000 0.898 546 Q HN 0.410 nan 8.270 nan 0.000 0.426 547 L N 0.293 121.481 121.223 -0.058 0.000 2.127 547 L HA -0.177 4.178 4.340 0.025 0.000 0.211 547 L C 2.393 179.143 176.870 -0.201 0.000 1.089 547 L CA 0.869 55.593 54.840 -0.194 0.000 0.757 547 L CB -0.615 41.222 42.059 -0.370 0.000 0.899 547 L HN 0.215 nan 8.230 nan 0.000 0.434 548 A N -0.910 121.812 122.820 -0.163 0.000 2.119 548 A HA -0.168 4.167 4.320 0.025 0.000 0.217 548 A C 1.697 179.083 177.584 -0.329 0.000 1.153 548 A CA 0.997 52.896 52.037 -0.229 0.000 0.692 548 A CB -0.687 18.182 19.000 -0.217 0.000 0.799 548 A HN 0.445 nan 8.150 nan 0.000 0.458 549 H N -1.286 117.564 119.070 -0.367 0.000 2.551 549 H HA 0.276 4.847 4.556 0.025 0.000 0.266 549 H C 1.461 176.483 175.328 -0.509 0.000 0.977 549 H CA 0.930 56.611 56.048 -0.612 0.000 1.163 549 H CB 0.101 29.071 29.762 -1.319 0.000 1.381 549 H HN 0.504 nan 8.280 nan 0.000 0.581 550 I N -1.351 119.107 120.570 -0.186 0.000 3.132 550 I HA 0.112 4.297 4.170 0.025 0.000 0.255 550 I C -0.186 175.856 176.117 -0.124 0.000 1.118 550 I CA 0.298 61.563 61.300 -0.058 0.000 1.463 550 I CB 0.803 38.803 38.000 0.001 0.000 1.356 550 I HN 0.073 nan 8.210 nan 0.000 0.463 551 D N -0.643 119.609 120.400 -0.247 0.000 2.871 551 D HA 0.201 4.856 4.640 0.025 0.000 0.209 551 D C 0.311 176.431 176.300 -0.299 0.000 1.292 551 D CA -0.372 53.459 54.000 -0.281 0.000 0.869 551 D CB 1.348 41.862 40.800 -0.478 0.000 1.663 551 D HN -0.131 nan 8.370 nan 0.000 0.557 552 L N 2.361 123.472 121.223 -0.187 0.000 2.083 552 L HA -0.072 4.282 4.340 0.025 0.000 0.209 552 L C 1.697 178.479 176.870 -0.147 0.000 1.083 552 L CA 1.661 56.407 54.840 -0.157 0.000 0.752 552 L CB -0.775 41.225 42.059 -0.099 0.000 0.899 552 L HN 0.628 nan 8.230 nan 0.000 0.433 553 T N 0.315 114.804 114.554 -0.108 0.000 2.737 553 T HA -0.197 4.167 4.350 0.025 0.000 0.265 553 T C 1.851 176.471 174.700 -0.132 0.000 1.038 553 T CA 1.288 63.366 62.100 -0.036 0.000 1.144 553 T CB -0.377 68.569 68.868 0.129 0.000 0.866 553 T HN 0.177 nan 8.240 nan 0.000 0.434 554 L N 1.824 122.787 121.223 -0.434 0.000 1.990 554 L HA -0.090 4.265 4.340 0.025 0.000 0.213 554 L C 2.595 179.224 176.870 -0.401 0.000 1.072 554 L CA 2.260 56.688 54.840 -0.686 0.000 0.755 554 L CB -1.120 40.125 42.059 -1.356 0.000 0.889 554 L HN 0.231 nan 8.230 nan 0.000 0.432 555 A N -1.278 121.328 122.820 -0.358 0.000 1.902 555 A HA -0.242 4.093 4.320 0.025 0.000 0.217 555 A C 2.213 179.692 177.584 -0.176 0.000 1.181 555 A CA 1.813 53.688 52.037 -0.270 0.000 0.623 555 A CB -0.620 18.239 19.000 -0.236 0.000 0.818 555 A HN 0.708 nan 8.150 nan 0.000 0.443 556 Q N -0.813 118.906 119.800 -0.134 0.000 2.119 556 Q HA -0.070 4.285 4.340 0.025 0.000 0.201 556 Q C 2.418 178.386 176.000 -0.053 0.000 0.972 556 Q CA 1.261 57.016 55.803 -0.079 0.000 0.847 556 Q CB -0.326 28.380 28.738 -0.054 0.000 0.903 556 Q HN 0.693 nan 8.270 nan 0.000 0.433 557 A N 0.195 122.988 122.820 -0.045 0.000 1.897 557 A HA -0.104 4.231 4.320 0.025 0.000 0.215 557 A C 2.297 179.879 177.584 -0.004 0.000 1.181 557 A CA 1.081 53.121 52.037 0.005 0.000 0.620 557 A CB -0.557 18.478 19.000 0.058 0.000 0.821 557 A HN 0.193 nan 8.150 nan 0.000 0.443 558 V N 0.025 119.907 119.914 -0.053 0.000 2.295 558 V HA -0.239 3.896 4.120 0.025 0.000 0.246 558 V C 3.074 179.133 176.094 -0.059 0.000 1.049 558 V CA 1.856 64.122 62.300 -0.056 0.000 1.024 558 V CB -1.309 30.424 31.823 -0.150 0.000 0.648 558 V HN 0.605 nan 8.190 nan 0.000 0.447 559 A N 0.033 122.805 122.820 -0.079 0.000 1.892 559 A HA -0.341 3.994 4.320 0.025 0.000 0.218 559 A C 2.342 179.906 177.584 -0.034 0.000 1.188 559 A CA 2.553 54.553 52.037 -0.063 0.000 0.631 559 A CB -0.582 18.378 19.000 -0.067 0.000 0.822 559 A HN 0.557 nan 8.150 nan 0.000 0.447 560 K N -0.612 119.776 120.400 -0.020 0.000 2.057 560 K HA -0.192 4.143 4.320 0.025 0.000 0.207 560 K C 1.566 178.171 176.600 0.007 0.000 1.049 560 K CA 1.639 57.924 56.287 -0.002 0.000 0.931 560 K CB -0.214 32.292 32.500 0.009 0.000 0.714 560 K HN 0.429 nan 8.250 nan 0.000 0.440 561 N N 0.667 119.375 118.700 0.013 0.000 2.381 561 N HA -0.098 4.657 4.740 0.025 0.000 0.182 561 N C 1.284 176.797 175.510 0.005 0.000 1.025 561 N CA 0.873 53.938 53.050 0.025 0.000 0.888 561 N CB 0.072 38.587 38.487 0.046 0.000 0.965 561 N HN 0.277 nan 8.380 nan 0.000 0.438 562 L N -0.859 120.354 121.223 -0.016 0.000 2.607 562 L HA 0.252 4.607 4.340 0.025 0.000 0.228 562 L C 0.904 177.760 176.870 -0.023 0.000 1.123 562 L CA -0.065 54.756 54.840 -0.032 0.000 0.890 562 L CB -0.092 41.932 42.059 -0.058 0.000 1.103 562 L HN 0.078 nan 8.230 nan 0.000 0.468 563 G N 1.610 110.402 108.800 -0.013 0.000 2.221 563 G HA2 -0.284 3.691 3.960 0.025 0.000 0.265 563 G HA3 -0.284 3.691 3.960 0.025 0.000 0.265 563 G C -0.029 174.863 174.900 -0.013 0.000 1.041 563 G CA 0.098 45.193 45.100 -0.008 0.000 0.807 563 G HN 0.325 nan 8.290 nan 0.000 0.502 564 I N -0.209 120.349 120.570 -0.021 0.000 2.441 564 I HA 0.465 4.650 4.170 0.025 0.000 0.295 564 I C 0.205 176.307 176.117 -0.025 0.000 0.994 564 I CA -0.771 60.515 61.300 -0.024 0.000 1.144 564 I CB 1.976 39.954 38.000 -0.036 0.000 1.314 564 I HN 0.204 nan 8.210 nan 0.000 0.445 565 E N 6.731 126.918 120.200 -0.022 0.000 2.158 565 E HA 0.427 4.792 4.350 0.025 0.000 0.271 565 E C -1.099 175.483 176.600 -0.029 0.000 0.911 565 E CA -0.724 55.662 56.400 -0.023 0.000 0.767 565 E CB 1.293 30.984 29.700 -0.016 0.000 1.120 565 E HN 0.492 nan 8.360 nan 0.000 0.405 566 L N 3.683 124.883 121.223 -0.039 0.000 2.485 566 L HA 0.096 4.451 4.340 0.025 0.000 0.275 566 L C 1.124 177.971 176.870 -0.039 0.000 1.207 566 L CA -0.097 54.715 54.840 -0.047 0.000 0.855 566 L CB 0.260 42.282 42.059 -0.062 0.000 1.114 566 L HN 0.688 nan 8.230 nan 0.000 0.485 567 T N -2.194 112.337 114.554 -0.038 0.000 2.766 567 T HA 0.036 4.401 4.350 0.025 0.000 0.295 567 T C 0.835 175.511 174.700 -0.039 0.000 1.024 567 T CA -0.760 61.321 62.100 -0.032 0.000 1.018 567 T CB 0.966 69.818 68.868 -0.027 0.000 1.002 567 T HN 0.524 nan 8.240 nan 0.000 0.532 568 D N 0.601 120.982 120.400 -0.032 0.000 2.149 568 D HA -0.091 4.564 4.640 0.025 0.000 0.198 568 D C 1.629 177.902 176.300 -0.044 0.000 0.990 568 D CA 1.236 55.215 54.000 -0.034 0.000 0.839 568 D CB -0.287 40.498 40.800 -0.025 0.000 0.948 568 D HN 0.611 nan 8.370 nan 0.000 0.460 569 D N 0.556 120.930 120.400 -0.043 0.000 2.117 569 D HA -0.120 4.535 4.640 0.025 0.000 0.197 569 D C 2.152 178.400 176.300 -0.086 0.000 0.987 569 D CA 0.804 54.772 54.000 -0.053 0.000 0.829 569 D CB -0.264 40.513 40.800 -0.039 0.000 0.961 569 D HN 0.311 nan 8.370 nan 0.000 0.460 570 Q N -0.156 119.591 119.800 -0.089 0.000 2.084 570 Q HA -0.034 4.321 4.340 0.025 0.000 0.202 570 Q C 2.358 178.275 176.000 -0.138 0.000 0.978 570 Q CA 0.612 56.336 55.803 -0.132 0.000 0.844 570 Q CB -0.103 28.573 28.738 -0.104 0.000 0.898 570 Q HN 0.306 nan 8.270 nan 0.000 0.426 571 L N 0.823 121.988 121.223 -0.098 0.000 2.349 571 L HA -0.163 4.192 4.340 0.025 0.000 0.220 571 L C 1.131 177.949 176.870 -0.087 0.000 1.130 571 L CA 0.517 55.306 54.840 -0.086 0.000 0.791 571 L CB -0.180 41.843 42.059 -0.060 0.000 0.918 571 L HN 0.246 nan 8.230 nan 0.000 0.444 572 N N -0.398 118.247 118.700 -0.092 0.000 2.203 572 N HA 0.247 5.002 4.740 0.025 0.000 0.207 572 N C 0.274 175.722 175.510 -0.103 0.000 1.130 572 N CA 0.011 53.013 53.050 -0.080 0.000 0.861 572 N CB 0.656 39.108 38.487 -0.058 0.000 1.005 572 N HN 0.205 nan 8.380 nan 0.000 0.507 573 I N 1.663 122.136 120.570 -0.161 0.000 2.587 573 I HA -0.066 4.119 4.170 0.025 0.000 0.284 573 I C 1.201 177.226 176.117 -0.153 0.000 1.134 573 I CA 0.178 61.350 61.300 -0.213 0.000 1.410 573 I CB 0.502 38.239 38.000 -0.439 0.000 1.392 573 I HN -0.043 nan 8.210 nan 0.000 0.545 574 T N 7.506 122.001 114.554 -0.097 0.000 2.901 574 T HA 0.294 4.658 4.350 0.025 0.000 0.301 574 T C -1.955 172.714 174.700 -0.051 0.000 1.012 574 T CA -1.369 60.697 62.100 -0.056 0.000 1.135 574 T CB 0.735 69.589 68.868 -0.023 0.000 0.936 574 T HN 0.357 nan 8.240 nan 0.000 0.539 575 P HA 0.321 nan 4.420 nan 0.000 0.272 575 P C -2.492 174.826 177.300 0.031 0.000 1.240 575 P CA -1.408 61.681 63.100 -0.018 0.000 0.791 575 P CB -0.480 31.218 31.700 -0.005 0.000 0.978 576 P HA 0.316 nan 4.420 nan 0.000 0.274 576 P C -2.545 174.811 177.300 0.093 0.000 1.256 576 P CA -1.602 61.568 63.100 0.117 0.000 0.795 576 P CB -1.120 30.699 31.700 0.199 0.000 1.038 577 P HA 0.133 nan 4.420 nan 0.000 0.272 577 P C -0.273 177.075 177.300 0.080 0.000 1.230 577 P CA 0.072 63.218 63.100 0.078 0.000 0.788 577 P CB 0.111 31.858 31.700 0.080 0.000 0.949 578 D N -0.214 120.226 120.400 0.066 0.000 2.364 578 D HA 0.039 4.694 4.640 0.025 0.000 0.236 578 D C -0.147 176.199 176.300 0.076 0.000 1.221 578 D CA 0.248 54.283 54.000 0.059 0.000 0.891 578 D CB 0.243 41.074 40.800 0.051 0.000 1.190 578 D HN -0.048 nan 8.370 nan 0.000 0.449 579 V N 2.338 122.289 119.914 0.062 0.000 2.318 579 V HA 0.085 4.220 4.120 0.025 0.000 0.271 579 V C 0.127 176.312 176.094 0.152 0.000 1.030 579 V CA -0.534 61.835 62.300 0.114 0.000 0.844 579 V CB -0.003 31.807 31.823 -0.021 0.000 1.015 579 V HN 0.602 nan 8.190 nan 0.000 0.460 580 N N 4.438 123.240 118.700 0.170 0.000 2.714 580 N HA -0.222 4.533 4.740 0.025 0.000 0.252 580 N C 1.176 176.742 175.510 0.094 0.000 1.014 580 N CA 1.006 54.137 53.050 0.136 0.000 0.735 580 N CB -0.871 37.737 38.487 0.201 0.000 0.924 580 N HN 1.305 nan 8.380 nan 0.000 0.540 581 G N -2.432 106.412 108.800 0.073 0.000 2.189 581 G HA2 -0.329 3.646 3.960 0.025 0.000 0.267 581 G HA3 -0.329 3.646 3.960 0.025 0.000 0.267 581 G C -0.007 174.921 174.900 0.048 0.000 0.975 581 G CA 0.298 45.429 45.100 0.052 0.000 0.644 581 G HN 0.349 nan 8.290 nan 0.000 0.537 582 L N 0.046 121.302 121.223 0.055 0.000 2.331 582 L HA 0.508 4.863 4.340 0.025 0.000 0.278 582 L C 1.310 178.195 176.870 0.025 0.000 1.106 582 L CA 0.351 55.215 54.840 0.039 0.000 0.824 582 L CB 1.411 43.495 42.059 0.042 0.000 1.142 582 L HN 0.201 nan 8.230 nan 0.000 0.443 583 K N 2.629 123.039 120.400 0.016 0.000 2.358 583 K HA 0.155 4.490 4.320 0.025 0.000 0.197 583 K C -0.370 176.224 176.600 -0.010 0.000 1.025 583 K CA 0.099 56.392 56.287 0.010 0.000 1.104 583 K CB 0.427 32.932 32.500 0.010 0.000 0.855 583 K HN 0.621 nan 8.250 nan 0.000 0.531 584 K N -0.607 119.783 120.400 -0.017 0.000 2.685 584 K HA 0.247 4.582 4.320 0.025 0.000 0.290 584 K C -2.148 174.436 176.600 -0.027 0.000 1.018 584 K CA -1.027 55.233 56.287 -0.045 0.000 0.860 584 K CB 1.337 33.791 32.500 -0.077 0.000 1.498 584 K HN -0.236 nan 8.250 nan 0.000 0.390 585 D N 1.477 121.856 120.400 -0.035 0.000 2.602 585 D HA 0.321 4.976 4.640 0.025 0.000 0.245 585 D C -2.206 174.080 176.300 -0.023 0.000 1.325 585 D CA -2.059 51.939 54.000 -0.003 0.000 0.952 585 D CB 2.230 43.051 40.800 0.035 0.000 1.317 585 D HN 0.258 nan 8.370 nan 0.000 0.577 586 P HA -0.061 nan 4.420 nan 0.000 0.230 586 P C 1.205 178.497 177.300 -0.014 0.000 1.158 586 P CA 0.696 63.767 63.100 -0.048 0.000 0.769 586 P CB 0.187 31.870 31.700 -0.030 0.000 0.807 587 S N -1.181 114.544 115.700 0.041 0.000 2.515 587 S HA -0.031 4.454 4.470 0.025 0.000 0.231 587 S C 1.642 176.326 174.600 0.140 0.000 0.987 587 S CA 0.655 58.916 58.200 0.101 0.000 0.936 587 S CB -1.327 61.959 63.200 0.144 0.000 0.766 587 S HN 0.147 nan 8.310 nan 0.000 0.528 588 L N 1.216 122.482 121.223 0.071 0.000 2.418 588 L HA 0.190 4.544 4.340 0.025 0.000 0.218 588 L C 1.500 178.269 176.870 -0.167 0.000 1.125 588 L CA 0.176 55.050 54.840 0.057 0.000 0.835 588 L CB -0.295 41.798 42.059 0.056 0.000 0.953 588 L HN 0.318 nan 8.230 nan 0.000 0.454 589 S N -0.368 115.215 115.700 -0.196 0.000 2.586 589 S HA 0.286 4.771 4.470 0.025 0.000 0.274 589 S C 1.070 175.544 174.600 -0.210 0.000 1.281 589 S CA -0.626 57.398 58.200 -0.293 0.000 1.035 589 S CB 1.257 64.286 63.200 -0.285 0.000 0.962 589 S HN 0.169 nan 8.310 nan 0.000 0.512 590 L N 3.294 124.304 121.223 -0.355 0.000 2.217 590 L HA 0.014 4.369 4.340 0.025 0.000 0.211 590 L C 0.786 177.367 176.870 -0.482 0.000 1.107 590 L CA 1.086 55.617 54.840 -0.515 0.000 0.783 590 L CB -0.279 41.193 42.059 -0.979 0.000 0.919 590 L HN 0.754 nan 8.230 nan 0.000 0.442 591 Y N -2.502 117.786 120.300 -0.021 0.000 2.425 591 Y HA 0.338 4.902 4.550 0.025 0.000 0.261 591 Y C 2.140 178.054 175.900 0.024 0.000 1.084 591 Y CA -0.262 57.873 58.100 0.058 0.000 1.248 591 Y CB -0.468 38.049 38.460 0.095 0.000 1.270 591 Y HN -0.069 nan 8.280 nan 0.000 0.524 592 A N 0.599 123.440 122.820 0.036 0.000 1.978 592 A HA -0.041 4.294 4.320 0.025 0.000 0.220 592 A C 0.912 178.525 177.584 0.048 0.000 1.170 592 A CA 1.145 53.176 52.037 -0.008 0.000 0.636 592 A CB -0.637 18.302 19.000 -0.102 0.000 0.810 592 A HN 0.282 nan 8.150 nan 0.000 0.448 593 I N 1.682 122.291 120.570 0.064 0.000 2.354 593 I HA 0.237 4.422 4.170 0.025 0.000 0.286 593 I C -2.313 173.873 176.117 0.115 0.000 1.007 593 I CA -2.288 59.058 61.300 0.076 0.000 1.167 593 I CB 1.715 39.749 38.000 0.057 0.000 1.320 593 I HN 0.105 nan 8.210 nan 0.000 0.458 594 P HA 0.066 nan 4.420 nan 0.000 0.265 594 P C -0.677 176.701 177.300 0.129 0.000 1.193 594 P CA 0.165 63.358 63.100 0.156 0.000 0.765 594 P CB 0.771 32.550 31.700 0.133 0.000 0.823 595 D N 0.864 121.351 120.400 0.146 0.000 2.914 595 D HA 0.152 4.806 4.640 0.025 0.000 0.349 595 D C 0.483 176.849 176.300 0.109 0.000 1.540 595 D CA -0.510 53.557 54.000 0.112 0.000 0.778 595 D CB -0.460 40.402 40.800 0.103 0.000 1.213 595 D HN 0.328 nan 8.370 nan 0.000 0.451 596 G N 0.074 108.946 108.800 0.120 0.000 2.483 596 G HA2 0.380 4.355 3.960 0.025 0.000 0.248 596 G HA3 0.380 4.355 3.960 0.025 0.000 0.248 596 G C -0.682 174.259 174.900 0.069 0.000 1.248 596 G CA -0.139 45.026 45.100 0.108 0.000 0.838 596 G HN 0.198 nan 8.290 nan 0.000 0.566 597 D N 0.636 121.068 120.400 0.054 0.000 2.855 597 D HA 0.186 4.841 4.640 0.025 0.000 0.241 597 D C 0.983 177.297 176.300 0.024 0.000 1.277 597 D CA -0.620 53.398 54.000 0.030 0.000 0.918 597 D CB 1.901 42.712 40.800 0.019 0.000 1.462 597 D HN 0.295 nan 8.370 nan 0.000 0.559 598 V N 1.797 121.718 119.914 0.012 0.000 3.406 598 V HA 0.223 4.357 4.120 0.025 0.000 0.263 598 V C 1.049 177.129 176.094 -0.023 0.000 1.172 598 V CA 0.159 62.462 62.300 0.004 0.000 1.140 598 V CB -0.753 31.066 31.823 -0.006 0.000 0.784 598 V HN 0.407 nan 8.190 nan 0.000 0.467 599 K N 1.303 121.682 120.400 -0.034 0.000 2.447 599 K HA 0.385 4.720 4.320 0.025 0.000 0.281 599 K C 1.275 177.842 176.600 -0.055 0.000 1.031 599 K CA 1.057 57.303 56.287 -0.068 0.000 1.019 599 K CB 0.125 32.590 32.500 -0.059 0.000 0.918 599 K HN 0.677 nan 8.250 nan 0.000 0.476 600 G N 3.177 111.918 108.800 -0.098 0.000 2.195 600 G HA2 -0.221 3.754 3.960 0.025 0.000 0.246 600 G HA3 -0.221 3.754 3.960 0.025 0.000 0.246 600 G C 0.107 175.070 174.900 0.106 0.000 0.984 600 G CA -0.220 44.906 45.100 0.044 0.000 0.633 600 G HN 0.562 nan 8.290 nan 0.000 0.525 601 R N -0.147 120.379 120.500 0.043 0.000 2.822 601 R HA 0.643 4.998 4.340 0.025 0.000 0.277 601 R C 0.159 176.525 176.300 0.111 0.000 1.102 601 R CA 0.105 56.255 56.100 0.084 0.000 1.207 601 R CB 0.717 31.054 30.300 0.062 0.000 1.139 601 R HN 0.729 nan 8.270 nan 0.000 0.557 602 V N 0.187 120.179 119.914 0.129 0.000 2.971 602 V HA 0.457 4.592 4.120 0.025 0.000 0.309 602 V C -1.179 174.982 176.094 0.111 0.000 1.130 602 V CA -0.747 61.641 62.300 0.146 0.000 0.964 602 V CB 2.584 34.518 31.823 0.186 0.000 1.029 602 V HN 0.351 nan 8.190 nan 0.000 0.427 603 V N 5.374 125.348 119.914 0.099 0.000 2.604 603 V HA 0.816 4.951 4.120 0.025 0.000 0.305 603 V C 0.445 176.595 176.094 0.092 0.000 1.043 603 V CA -0.172 62.176 62.300 0.081 0.000 0.888 603 V CB 1.716 33.572 31.823 0.055 0.000 0.995 603 V HN 1.201 nan 8.190 nan 0.000 0.429 604 A N 5.950 128.832 122.820 0.103 0.000 2.331 604 A HA 0.789 5.124 4.320 0.025 0.000 0.283 604 A C -0.478 177.119 177.584 0.021 0.000 1.142 604 A CA -0.235 51.848 52.037 0.076 0.000 0.812 604 A CB 0.122 19.193 19.000 0.119 0.000 1.074 604 A HN 0.764 nan 8.150 nan 0.000 0.497 605 I N 3.262 123.837 120.570 0.009 0.000 2.382 605 I HA 0.219 4.404 4.170 0.025 0.000 0.286 605 I C -0.662 175.463 176.117 0.013 0.000 1.002 605 I CA -0.225 61.083 61.300 0.013 0.000 1.135 605 I CB 1.488 39.507 38.000 0.032 0.000 1.288 605 I HN 0.484 nan 8.210 nan 0.000 0.448 606 L N 7.167 128.396 121.223 0.009 0.000 2.261 606 L HA 0.428 4.783 4.340 0.025 0.000 0.289 606 L C 0.017 176.997 176.870 0.182 0.000 1.059 606 L CA -0.418 54.495 54.840 0.122 0.000 0.816 606 L CB 0.310 42.321 42.059 -0.080 0.000 1.191 606 L HN 0.437 nan 8.230 nan 0.000 0.431 607 L N 3.588 124.953 121.223 0.237 0.000 2.453 607 L HA 0.234 4.589 4.340 0.025 0.000 0.261 607 L C 0.202 177.238 176.870 0.278 0.000 1.179 607 L CA -0.245 54.682 54.840 0.145 0.000 0.813 607 L CB 0.895 42.935 42.059 -0.032 0.000 1.110 607 L HN 0.721 nan 8.230 nan 0.000 0.466 608 N N -1.814 116.951 118.700 0.107 0.000 2.577 608 N HA 0.228 4.983 4.740 0.025 0.000 0.285 608 N C -0.234 175.220 175.510 -0.094 0.000 1.309 608 N CA -0.783 52.362 53.050 0.158 0.000 0.798 608 N CB 0.735 39.319 38.487 0.162 0.000 1.463 608 N HN 0.531 nan 8.380 nan 0.000 0.518 609 D N -1.679 118.710 120.400 -0.018 0.000 2.363 609 D HA -0.082 4.573 4.640 0.025 0.000 0.226 609 D C -0.426 175.833 176.300 -0.068 0.000 1.020 609 D CA 0.817 54.752 54.000 -0.107 0.000 0.892 609 D CB -0.063 40.757 40.800 0.034 0.000 0.900 609 D HN 0.733 nan 8.370 nan 0.000 0.531 610 E N 0.564 120.742 120.200 -0.037 0.000 3.284 610 E HA 0.212 4.577 4.350 0.025 0.000 0.277 610 E C -1.163 175.421 176.600 -0.027 0.000 1.218 610 E CA -0.379 56.000 56.400 -0.034 0.000 0.925 610 E CB 1.231 30.921 29.700 -0.017 0.000 1.409 610 E HN -0.116 nan 8.360 nan 0.000 0.388 611 V N 2.237 122.126 119.914 -0.041 0.000 2.740 611 V HA 0.087 4.222 4.120 0.025 0.000 0.303 611 V C 0.954 177.031 176.094 -0.029 0.000 1.054 611 V CA 0.110 62.393 62.300 -0.028 0.000 1.106 611 V CB 0.939 32.740 31.823 -0.037 0.000 0.957 611 V HN 0.493 nan 8.190 nan 0.000 0.486 612 R N 2.960 123.444 120.500 -0.026 0.000 2.402 612 R HA 0.039 4.394 4.340 0.025 0.000 0.331 612 R C 1.527 177.805 176.300 -0.037 0.000 1.040 612 R CA 0.478 56.558 56.100 -0.034 0.000 0.980 612 R CB 0.406 30.681 30.300 -0.041 0.000 0.967 612 R HN 1.015 nan 8.270 nan 0.000 0.440 613 S N 3.362 119.042 115.700 -0.033 0.000 2.399 613 S HA -0.189 4.296 4.470 0.025 0.000 0.231 613 S C 1.946 176.526 174.600 -0.032 0.000 1.022 613 S CA 0.856 59.038 58.200 -0.031 0.000 0.983 613 S CB -0.042 63.141 63.200 -0.027 0.000 0.803 613 S HN 0.682 nan 8.310 nan 0.000 0.480 614 A N 2.216 125.014 122.820 -0.037 0.000 1.930 614 A HA -0.090 4.245 4.320 0.025 0.000 0.217 614 A C 1.960 179.512 177.584 -0.054 0.000 1.175 614 A CA 1.565 53.578 52.037 -0.040 0.000 0.627 614 A CB -0.813 18.163 19.000 -0.041 0.000 0.815 614 A HN 0.446 nan 8.150 nan 0.000 0.443 615 D N -0.109 120.248 120.400 -0.071 0.000 2.092 615 D HA -0.140 4.515 4.640 0.025 0.000 0.193 615 D C 1.905 178.170 176.300 -0.060 0.000 0.994 615 D CA 0.934 54.872 54.000 -0.103 0.000 0.828 615 D CB -0.326 40.401 40.800 -0.122 0.000 0.963 615 D HN 0.343 nan 8.370 nan 0.000 0.450 616 L N 0.414 121.614 121.223 -0.037 0.000 2.093 616 L HA -0.112 4.243 4.340 0.025 0.000 0.208 616 L C 2.437 179.302 176.870 -0.008 0.000 1.085 616 L CA 0.680 55.510 54.840 -0.015 0.000 0.755 616 L CB -0.263 41.787 42.059 -0.016 0.000 0.904 616 L HN 0.106 nan 8.230 nan 0.000 0.435 617 L N -0.444 120.771 121.223 -0.015 0.000 2.012 617 L HA -0.248 4.107 4.340 0.025 0.000 0.210 617 L C 2.832 179.701 176.870 -0.003 0.000 1.073 617 L CA 1.461 56.296 54.840 -0.008 0.000 0.748 617 L CB -0.702 41.349 42.059 -0.012 0.000 0.891 617 L HN 0.291 nan 8.230 nan 0.000 0.431 618 A N 0.181 122.995 122.820 -0.009 0.000 1.877 618 A HA -0.193 4.141 4.320 0.025 0.000 0.216 618 A C 2.175 179.776 177.584 0.029 0.000 1.186 618 A CA 1.635 53.673 52.037 0.003 0.000 0.620 618 A CB -0.678 18.312 19.000 -0.017 0.000 0.822 618 A HN 0.353 nan 8.150 nan 0.000 0.443 619 I N -0.380 120.210 120.570 0.033 0.000 2.142 619 I HA -0.278 3.907 4.170 0.025 0.000 0.240 619 I C 2.414 178.560 176.117 0.048 0.000 1.078 619 I CA 1.378 62.719 61.300 0.069 0.000 1.343 619 I CB -0.388 37.658 38.000 0.077 0.000 1.046 619 I HN 0.278 nan 8.210 nan 0.000 0.405 620 L N 0.258 121.499 121.223 0.031 0.000 2.093 620 L HA -0.195 4.160 4.340 0.025 0.000 0.208 620 L C 2.570 179.452 176.870 0.019 0.000 1.085 620 L CA 1.311 56.166 54.840 0.025 0.000 0.755 620 L CB -0.506 41.564 42.059 0.020 0.000 0.904 620 L HN 0.198 nan 8.230 nan 0.000 0.435 621 K N 0.143 120.553 120.400 0.016 0.000 2.155 621 K HA -0.099 4.236 4.320 0.025 0.000 0.203 621 K C 2.157 178.764 176.600 0.011 0.000 1.052 621 K CA 1.006 57.300 56.287 0.011 0.000 0.948 621 K CB 0.010 32.515 32.500 0.009 0.000 0.728 621 K HN 0.263 nan 8.250 nan 0.000 0.448 622 A N 1.069 123.901 122.820 0.020 0.000 1.930 622 A HA -0.097 4.237 4.320 0.025 0.000 0.217 622 A C 2.008 179.596 177.584 0.007 0.000 1.175 622 A CA 1.020 53.069 52.037 0.020 0.000 0.627 622 A CB -0.456 18.568 19.000 0.041 0.000 0.815 622 A HN 0.237 nan 8.150 nan 0.000 0.443 623 L N -0.675 120.553 121.223 0.009 0.000 2.027 623 L HA -0.171 4.184 4.340 0.025 0.000 0.206 623 L C 2.690 179.539 176.870 -0.035 0.000 1.074 623 L CA 1.642 56.475 54.840 -0.012 0.000 0.745 623 L CB -0.501 41.559 42.059 0.002 0.000 0.898 623 L HN 0.361 nan 8.230 nan 0.000 0.433 624 K N 0.736 121.123 120.400 -0.021 0.000 2.074 624 K HA -0.218 4.117 4.320 0.025 0.000 0.209 624 K C 2.005 178.584 176.600 -0.034 0.000 1.048 624 K CA 1.675 57.946 56.287 -0.027 0.000 0.926 624 K CB -0.116 32.381 32.500 -0.004 0.000 0.713 624 K HN 0.292 nan 8.250 nan 0.000 0.444 625 A N 1.087 123.894 122.820 -0.021 0.000 2.019 625 A HA -0.114 4.221 4.320 0.025 0.000 0.219 625 A C 1.644 179.211 177.584 -0.028 0.000 1.164 625 A CA 1.378 53.404 52.037 -0.018 0.000 0.644 625 A CB -0.070 18.925 19.000 -0.008 0.000 0.805 625 A HN 0.171 nan 8.150 nan 0.000 0.449 626 K N -1.528 118.848 120.400 -0.040 0.000 2.358 626 K HA 0.229 4.564 4.320 0.025 0.000 0.200 626 K C 0.946 177.497 176.600 -0.082 0.000 1.030 626 K CA 0.596 56.854 56.287 -0.048 0.000 1.097 626 K CB 0.060 32.538 32.500 -0.036 0.000 0.862 626 K HN 0.723 nan 8.250 nan 0.000 0.534 627 G N 1.568 110.300 108.800 -0.113 0.000 2.176 627 G HA2 -0.234 3.741 3.960 0.025 0.000 0.252 627 G HA3 -0.234 3.741 3.960 0.025 0.000 0.252 627 G C 0.063 174.752 174.900 -0.352 0.000 1.024 627 G CA 0.256 45.236 45.100 -0.199 0.000 0.755 627 G HN 0.110 nan 8.290 nan 0.000 0.507 628 V N 0.725 120.480 119.914 -0.265 0.000 2.465 628 V HA 0.511 4.646 4.120 0.025 0.000 0.279 628 V C 0.800 176.716 176.094 -0.296 0.000 1.045 628 V CA -0.712 61.434 62.300 -0.257 0.000 0.938 628 V CB 1.102 32.868 31.823 -0.095 0.000 0.986 628 V HN 0.454 nan 8.190 nan 0.000 0.467 629 H N 1.696 120.777 119.070 0.019 0.000 2.499 629 H HA 0.794 5.365 4.556 0.025 0.000 0.352 629 H C 0.199 175.546 175.328 0.031 0.000 1.237 629 H CA 0.097 56.158 56.048 0.022 0.000 1.343 629 H CB 1.216 30.992 29.762 0.023 0.000 1.578 629 H HN 0.854 nan 8.280 nan 0.000 0.577 630 A N 0.749 123.672 122.820 0.171 0.000 2.454 630 A HA 0.573 4.908 4.320 0.025 0.000 0.302 630 A C -1.193 176.447 177.584 0.093 0.000 1.079 630 A CA -1.033 51.068 52.037 0.107 0.000 0.731 630 A CB 1.239 20.282 19.000 0.072 0.000 1.299 630 A HN 0.788 nan 8.150 nan 0.000 0.413 631 K N 2.073 122.519 120.400 0.077 0.000 2.545 631 K HA 0.647 4.982 4.320 0.025 0.000 0.252 631 K C -1.598 175.024 176.600 0.038 0.000 0.948 631 K CA -0.473 55.849 56.287 0.059 0.000 0.827 631 K CB 1.361 33.905 32.500 0.074 0.000 1.128 631 K HN 0.505 nan 8.250 nan 0.000 0.429 632 L N 5.242 126.477 121.223 0.021 0.000 2.315 632 L HA 0.344 4.699 4.340 0.025 0.000 0.283 632 L C -0.393 176.469 176.870 -0.014 0.000 1.089 632 L CA -0.637 54.206 54.840 0.005 0.000 0.833 632 L CB 0.211 42.267 42.059 -0.005 0.000 1.170 632 L HN 0.547 nan 8.230 nan 0.000 0.442 633 L N 3.827 125.038 121.223 -0.020 0.000 2.333 633 L HA 0.601 4.955 4.340 0.025 0.000 0.269 633 L C -0.840 175.910 176.870 -0.200 0.000 1.010 633 L CA -0.766 54.006 54.840 -0.113 0.000 0.818 633 L CB 2.050 44.057 42.059 -0.087 0.000 1.306 633 L HN 0.406 nan 8.230 nan 0.000 0.430 634 Y N -0.490 119.339 120.300 -0.785 0.000 2.840 634 Y HA 0.167 4.732 4.550 0.025 0.000 0.324 634 Y C 0.734 175.867 175.900 -1.279 0.000 1.378 634 Y CA -0.783 56.750 58.100 -0.947 0.000 1.077 634 Y CB 1.555 39.812 38.460 -0.339 0.000 1.361 634 Y HN 0.542 nan 8.280 nan 0.000 0.459 635 S N 0.709 115.538 115.700 -1.453 0.000 2.593 635 S HA 0.268 4.753 4.470 0.025 0.000 0.217 635 S C 0.008 174.337 174.600 -0.452 0.000 0.966 635 S CA 0.394 58.131 58.200 -0.772 0.000 0.914 635 S CB -0.252 62.637 63.200 -0.518 0.000 0.776 635 S HN 0.621 nan 8.310 nan 0.000 0.523 636 R N -1.317 118.962 120.500 -0.368 0.000 2.747 636 R HA 0.617 4.972 4.340 0.025 0.000 0.272 636 R C -0.894 175.387 176.300 -0.031 0.000 1.032 636 R CA -1.107 54.916 56.100 -0.128 0.000 0.896 636 R CB 0.439 30.706 30.300 -0.054 0.000 1.253 636 R HN -0.058 nan 8.270 nan 0.000 0.461 637 M N 0.124 119.715 119.600 -0.014 0.000 2.219 637 M HA 0.550 5.045 4.480 0.025 0.000 0.280 637 M C 0.923 177.239 176.300 0.026 0.000 1.189 637 M CA 0.830 56.130 55.300 0.001 0.000 1.010 637 M CB 0.682 33.276 32.600 -0.010 0.000 1.422 637 M HN 1.062 nan 8.290 nan 0.000 0.504 638 G N 1.065 109.872 108.800 0.012 0.000 2.785 638 G HA2 -0.109 3.866 3.960 0.025 0.000 0.218 638 G HA3 -0.109 3.866 3.960 0.025 0.000 0.218 638 G C -0.939 173.958 174.900 -0.005 0.000 1.251 638 G CA -0.533 44.571 45.100 0.007 0.000 1.129 638 G HN 0.624 nan 8.290 nan 0.000 0.573 639 E N -0.876 119.316 120.200 -0.013 0.000 2.393 639 E HA 0.616 4.981 4.350 0.025 0.000 0.273 639 E C -0.514 176.032 176.600 -0.089 0.000 0.918 639 E CA -0.560 55.812 56.400 -0.047 0.000 0.773 639 E CB 3.034 32.712 29.700 -0.037 0.000 1.275 639 E HN 1.221 nan 8.360 nan 0.000 0.451 640 V N -1.885 117.939 119.914 -0.150 0.000 3.074 640 V HA 0.730 4.865 4.120 0.025 0.000 0.314 640 V C -0.509 175.508 176.094 -0.128 0.000 1.117 640 V CA -0.708 61.473 62.300 -0.198 0.000 1.014 640 V CB 1.953 33.531 31.823 -0.408 0.000 1.057 640 V HN 0.643 nan 8.190 nan 0.000 0.438 641 T N 2.368 116.858 114.554 -0.106 0.000 2.779 641 T HA 0.783 5.147 4.350 0.025 0.000 0.280 641 T C 0.250 174.909 174.700 -0.068 0.000 0.987 641 T CA 0.206 62.263 62.100 -0.071 0.000 0.966 641 T CB 1.352 70.192 68.868 -0.047 0.000 0.933 641 T HN 1.348 nan 8.240 nan 0.000 0.442 642 A N 2.350 125.136 122.820 -0.056 0.000 2.313 642 A HA 0.391 4.725 4.320 0.025 0.000 0.261 642 A C 1.574 179.136 177.584 -0.036 0.000 1.090 642 A CA -0.445 51.563 52.037 -0.048 0.000 0.807 642 A CB 0.072 19.047 19.000 -0.041 0.000 1.055 642 A HN 0.933 nan 8.150 nan 0.000 0.492 643 D N 0.515 120.896 120.400 -0.031 0.000 2.191 643 D HA -0.255 4.400 4.640 0.025 0.000 0.195 643 D C 0.720 177.006 176.300 -0.023 0.000 1.003 643 D CA 1.928 55.913 54.000 -0.025 0.000 0.867 643 D CB -0.345 40.441 40.800 -0.023 0.000 0.926 643 D HN 0.634 nan 8.370 nan 0.000 0.450 644 D N -1.443 118.943 120.400 -0.023 0.000 2.328 644 D HA 0.182 4.837 4.640 0.025 0.000 0.221 644 D C 1.651 177.939 176.300 -0.020 0.000 1.072 644 D CA 0.531 54.519 54.000 -0.020 0.000 0.850 644 D CB -0.135 40.653 40.800 -0.019 0.000 0.922 644 D HN 0.444 nan 8.370 nan 0.000 0.516 645 G N -0.097 108.689 108.800 -0.023 0.000 2.176 645 G HA2 -0.271 3.704 3.960 0.025 0.000 0.253 645 G HA3 -0.271 3.704 3.960 0.025 0.000 0.253 645 G C 0.410 175.296 174.900 -0.024 0.000 0.979 645 G CA 0.319 45.406 45.100 -0.022 0.000 0.641 645 G HN 0.453 nan 8.290 nan 0.000 0.530 646 T N 1.153 115.692 114.554 -0.025 0.000 2.888 646 T HA 0.415 4.780 4.350 0.025 0.000 0.301 646 T C 0.630 175.310 174.700 -0.033 0.000 1.001 646 T CA 0.066 62.151 62.100 -0.026 0.000 1.147 646 T CB 2.209 71.061 68.868 -0.025 0.000 0.931 646 T HN 0.446 nan 8.240 nan 0.000 0.541 647 V N 5.244 125.139 119.914 -0.031 0.000 2.406 647 V HA 0.232 4.367 4.120 0.025 0.000 0.272 647 V C -0.215 175.855 176.094 -0.039 0.000 1.043 647 V CA -0.748 61.530 62.300 -0.037 0.000 0.915 647 V CB 0.912 32.719 31.823 -0.027 0.000 0.988 647 V HN 0.558 nan 8.190 nan 0.000 0.466 648 L N 9.058 130.247 121.223 -0.056 0.000 2.276 648 L HA 0.539 4.893 4.340 0.025 0.000 0.286 648 L C -2.146 174.690 176.870 -0.058 0.000 1.024 648 L CA -2.449 52.356 54.840 -0.058 0.000 0.826 648 L CB 1.482 43.493 42.059 -0.081 0.000 1.211 648 L HN 0.431 nan 8.230 nan 0.000 0.422 649 P HA 0.322 nan 4.420 nan 0.000 0.284 649 P C -0.443 176.839 177.300 -0.030 0.000 1.253 649 P CA -0.352 62.730 63.100 -0.030 0.000 0.800 649 P CB 1.277 32.968 31.700 -0.016 0.000 0.961 650 I N 2.293 122.847 120.570 -0.027 0.000 2.331 650 I HA 0.233 4.418 4.170 0.025 0.000 0.292 650 I C 1.570 177.678 176.117 -0.015 0.000 0.998 650 I CA -0.405 60.881 61.300 -0.024 0.000 1.267 650 I CB 1.463 39.458 38.000 -0.009 0.000 1.386 650 I HN 0.370 nan 8.210 nan 0.000 0.476 651 A N 5.291 128.103 122.820 -0.013 0.000 1.930 651 A HA 0.561 4.896 4.320 0.025 0.000 0.215 651 A C 0.973 178.553 177.584 -0.007 0.000 1.176 651 A CA 1.238 53.274 52.037 -0.003 0.000 0.632 651 A CB 0.020 19.026 19.000 0.010 0.000 0.819 651 A HN 0.815 nan 8.150 nan 0.000 0.445 652 A N -2.072 120.733 122.820 -0.025 0.000 2.586 652 A HA 0.556 4.891 4.320 0.025 0.000 0.291 652 A C -0.054 177.473 177.584 -0.096 0.000 1.062 652 A CA 0.047 52.066 52.037 -0.030 0.000 0.666 652 A CB -0.293 18.716 19.000 0.015 0.000 1.281 652 A HN 0.776 nan 8.150 nan 0.000 0.421 653 T N -1.309 113.184 114.554 -0.101 0.000 2.849 653 T HA 0.529 4.894 4.350 0.025 0.000 0.284 653 T C 0.979 175.615 174.700 -0.106 0.000 1.004 653 T CA 0.147 62.120 62.100 -0.212 0.000 1.021 653 T CB 0.011 68.799 68.868 -0.134 0.000 1.013 653 T HN 0.487 nan 8.240 nan 0.000 0.527 654 F N 0.657 120.623 119.950 0.028 0.000 2.120 654 F HA -0.044 4.498 4.527 0.025 0.000 0.300 654 F C 2.909 178.839 175.800 0.217 0.000 1.095 654 F CA 1.144 59.210 58.000 0.110 0.000 1.249 654 F CB -0.661 38.387 39.000 0.080 0.000 0.995 654 F HN 0.706 nan 8.300 nan 0.000 0.480 655 A N 0.053 123.041 122.820 0.281 0.000 2.067 655 A HA 0.107 4.442 4.320 0.025 0.000 0.217 655 A C 2.386 180.044 177.584 0.123 0.000 1.156 655 A CA 1.268 53.414 52.037 0.181 0.000 0.683 655 A CB -1.249 17.817 19.000 0.109 0.000 0.808 655 A HN 0.388 nan 8.150 nan 0.000 0.455 656 G N -1.008 107.852 108.800 0.101 0.000 2.494 656 G HA2 0.326 4.301 3.960 0.025 0.000 0.216 656 G HA3 0.326 4.301 3.960 0.025 0.000 0.216 656 G C 0.632 175.583 174.900 0.086 0.000 1.140 656 G CA 0.872 46.010 45.100 0.064 0.000 0.801 656 G HN 0.984 nan 8.290 nan 0.000 0.536 657 A N 0.834 123.741 122.820 0.145 0.000 3.159 657 A HA 0.706 5.041 4.320 0.025 0.000 0.330 657 A C -2.732 175.019 177.584 0.278 0.000 1.032 657 A CA -1.117 51.023 52.037 0.171 0.000 0.841 657 A CB 1.198 20.290 19.000 0.152 0.000 1.093 657 A HN 0.084 nan 8.150 nan 0.000 0.478 658 P HA 0.060 nan 4.420 nan 0.000 0.271 658 P C 1.345 178.500 177.300 -0.242 0.000 1.233 658 P CA 0.246 63.317 63.100 -0.048 0.000 0.789 658 P CB 0.806 32.453 31.700 -0.087 0.000 0.951 659 S N 0.859 116.040 115.700 -0.865 0.000 2.469 659 S HA -0.139 4.345 4.470 0.025 0.000 0.238 659 S C 1.711 176.162 174.600 -0.249 0.000 0.998 659 S CA 0.987 58.805 58.200 -0.636 0.000 0.957 659 S CB -1.346 61.376 63.200 -0.797 0.000 0.764 659 S HN 0.333 nan 8.310 nan 0.000 0.514 660 L N 1.867 122.947 121.223 -0.237 0.000 2.189 660 L HA -0.096 4.258 4.340 0.025 0.000 0.214 660 L C 2.918 179.605 176.870 -0.305 0.000 1.097 660 L CA 1.608 56.303 54.840 -0.242 0.000 0.764 660 L CB -1.394 40.496 42.059 -0.282 0.000 0.900 660 L HN 0.632 nan 8.230 nan 0.000 0.436 661 T N -3.269 111.185 114.554 -0.167 0.000 3.129 661 T HA 0.211 4.576 4.350 0.025 0.000 0.251 661 T C 0.407 175.208 174.700 0.167 0.000 1.117 661 T CA 0.162 62.252 62.100 -0.016 0.000 1.034 661 T CB -0.330 68.628 68.868 0.150 0.000 0.968 661 T HN 0.153 nan 8.240 nan 0.000 0.526 662 V N -2.449 117.519 119.914 0.092 0.000 3.113 662 V HA 0.571 4.706 4.120 0.025 0.000 0.316 662 V C -0.109 176.034 176.094 0.082 0.000 1.125 662 V CA -0.964 61.415 62.300 0.132 0.000 1.026 662 V CB 2.156 34.072 31.823 0.156 0.000 1.080 662 V HN 0.010 nan 8.190 nan 0.000 0.444 663 D N 1.069 121.521 120.400 0.086 0.000 2.367 663 D HA 0.483 5.138 4.640 0.025 0.000 0.207 663 D C 0.548 176.837 176.300 -0.019 0.000 1.034 663 D CA 1.440 55.464 54.000 0.040 0.000 0.861 663 D CB 1.463 42.308 40.800 0.075 0.000 0.943 663 D HN 0.986 nan 8.370 nan 0.000 0.515 664 A N 0.142 122.968 122.820 0.009 0.000 2.586 664 A HA 0.526 4.861 4.320 0.025 0.000 0.291 664 A C -1.545 176.058 177.584 0.032 0.000 1.062 664 A CA -0.567 51.462 52.037 -0.014 0.000 0.666 664 A CB 1.452 20.431 19.000 -0.035 0.000 1.281 664 A HN -0.100 nan 8.150 nan 0.000 0.421 665 V N 1.035 120.960 119.914 0.019 0.000 2.709 665 V HA 0.631 4.766 4.120 0.025 0.000 0.308 665 V C -0.678 175.423 176.094 0.012 0.000 1.062 665 V CA -0.279 62.045 62.300 0.041 0.000 0.901 665 V CB 1.677 33.543 31.823 0.072 0.000 1.003 665 V HN 0.722 nan 8.190 nan 0.000 0.425 666 I N 3.639 124.224 120.570 0.025 0.000 2.498 666 I HA 0.561 4.746 4.170 0.025 0.000 0.290 666 I C -0.955 175.192 176.117 0.049 0.000 1.032 666 I CA -0.956 60.384 61.300 0.067 0.000 1.073 666 I CB 2.381 40.449 38.000 0.113 0.000 1.251 666 I HN 0.286 nan 8.210 nan 0.000 0.426 667 V N 7.266 127.227 119.914 0.078 0.000 2.350 667 V HA 0.368 4.503 4.120 0.025 0.000 0.285 667 V C -2.146 174.011 176.094 0.104 0.000 1.014 667 V CA -1.616 60.723 62.300 0.065 0.000 0.831 667 V CB 1.281 33.130 31.823 0.044 0.000 1.000 667 V HN 0.551 nan 8.190 nan 0.000 0.433 668 P HA 0.374 nan 4.420 nan 0.000 0.276 668 P C -0.209 177.112 177.300 0.035 0.000 1.252 668 P CA -0.172 62.946 63.100 0.029 0.000 0.802 668 P CB 1.223 32.930 31.700 0.012 0.000 1.035 669 A N 0.718 123.532 122.820 -0.009 0.000 2.310 669 A HA 0.650 4.985 4.320 0.025 0.000 0.260 669 A C 0.815 178.402 177.584 0.004 0.000 1.112 669 A CA 0.741 52.777 52.037 -0.002 0.000 0.804 669 A CB -0.800 18.178 19.000 -0.037 0.000 1.081 669 A HN 0.857 nan 8.150 nan 0.000 0.499 670 G N -0.599 108.204 108.800 0.004 0.000 2.366 670 G HA2 -0.035 3.939 3.960 0.025 0.000 0.190 670 G HA3 -0.035 3.939 3.960 0.025 0.000 0.190 670 G C -0.316 174.588 174.900 0.007 0.000 1.299 670 G CA -0.128 44.973 45.100 0.002 0.000 1.056 670 G HN 1.005 nan 8.290 nan 0.000 0.468 671 N N 1.549 120.258 118.700 0.015 0.000 2.819 671 N HA 0.106 4.861 4.740 0.025 0.000 0.284 671 N C 1.414 176.947 175.510 0.039 0.000 1.196 671 N CA -0.553 52.509 53.050 0.021 0.000 1.114 671 N CB -0.171 38.331 38.487 0.025 0.000 1.437 671 N HN 0.361 nan 8.380 nan 0.000 0.518 672 I N 1.687 122.266 120.570 0.015 0.000 2.454 672 I HA -0.220 3.965 4.170 0.025 0.000 0.254 672 I C 2.399 178.498 176.117 -0.029 0.000 1.156 672 I CA 0.687 61.987 61.300 0.000 0.000 1.433 672 I CB -1.426 36.529 38.000 -0.074 0.000 1.082 672 I HN 0.460 nan 8.210 nan 0.000 0.432 673 A N 0.694 123.497 122.820 -0.028 0.000 2.024 673 A HA -0.278 4.057 4.320 0.025 0.000 0.220 673 A C 2.074 179.669 177.584 0.020 0.000 1.164 673 A CA 2.019 54.040 52.037 -0.027 0.000 0.643 673 A CB -0.687 18.300 19.000 -0.021 0.000 0.806 673 A HN 0.411 nan 8.150 nan 0.000 0.451 674 D N 0.307 120.746 120.400 0.066 0.000 2.149 674 D HA -0.164 4.490 4.640 0.025 0.000 0.198 674 D C 1.528 177.913 176.300 0.141 0.000 0.990 674 D CA 1.865 55.937 54.000 0.121 0.000 0.839 674 D CB -0.172 40.740 40.800 0.186 0.000 0.948 674 D HN 0.666 nan 8.370 nan 0.000 0.460 675 I N -4.301 116.364 120.570 0.159 0.000 4.327 675 I HA 0.481 4.666 4.170 0.025 0.000 0.331 675 I C 1.841 178.068 176.117 0.182 0.000 1.348 675 I CA -0.076 61.343 61.300 0.198 0.000 1.152 675 I CB 0.131 38.309 38.000 0.297 0.000 1.151 675 I HN -0.103 nan 8.210 nan 0.000 0.410 676 A N 1.440 124.280 122.820 0.033 0.000 2.024 676 A HA -0.163 4.172 4.320 0.025 0.000 0.220 676 A C 1.502 179.071 177.584 -0.025 0.000 1.164 676 A CA 2.038 53.985 52.037 -0.149 0.000 0.643 676 A CB -0.469 18.368 19.000 -0.272 0.000 0.806 676 A HN 0.518 nan 8.150 nan 0.000 0.451 677 D N -0.791 119.618 120.400 0.015 0.000 2.440 677 D HA 0.042 4.697 4.640 0.025 0.000 0.216 677 D C -0.141 176.183 176.300 0.040 0.000 1.150 677 D CA -0.168 53.843 54.000 0.020 0.000 0.832 677 D CB -0.129 40.673 40.800 0.004 0.000 0.992 677 D HN 0.346 nan 8.370 nan 0.000 0.502 678 N N 0.963 119.699 118.700 0.061 0.000 2.408 678 N HA 0.062 4.817 4.740 0.025 0.000 0.257 678 N C 1.345 176.878 175.510 0.038 0.000 1.064 678 N CA -0.058 53.022 53.050 0.050 0.000 0.952 678 N CB 1.545 40.068 38.487 0.059 0.000 1.093 678 N HN -0.011 nan 8.380 nan 0.000 0.490 679 G N 3.314 112.139 108.800 0.041 0.000 2.440 679 G HA2 -0.270 3.705 3.960 0.025 0.000 0.218 679 G HA3 -0.270 3.705 3.960 0.025 0.000 0.218 679 G C 0.963 175.901 174.900 0.063 0.000 1.154 679 G CA 0.585 45.713 45.100 0.046 0.000 0.767 679 G HN 0.595 nan 8.290 nan 0.000 0.552 680 D N 0.918 121.356 120.400 0.063 0.000 2.117 680 D HA -0.026 4.629 4.640 0.025 0.000 0.197 680 D C 2.822 179.090 176.300 -0.055 0.000 0.987 680 D CA 1.229 55.291 54.000 0.103 0.000 0.829 680 D CB -0.504 40.422 40.800 0.210 0.000 0.961 680 D HN 0.303 nan 8.370 nan 0.000 0.460 681 A N 1.380 123.994 122.820 -0.342 0.000 1.851 681 A HA -0.228 4.107 4.320 0.025 0.000 0.216 681 A C 2.008 179.384 177.584 -0.348 0.000 1.195 681 A CA 1.567 53.196 52.037 -0.680 0.000 0.622 681 A CB -0.668 17.944 19.000 -0.648 0.000 0.831 681 A HN 0.169 nan 8.150 nan 0.000 0.444 682 N N -1.373 117.268 118.700 -0.099 0.000 2.061 682 N HA -0.239 4.516 4.740 0.025 0.000 0.193 682 N C 1.717 177.209 175.510 -0.031 0.000 1.030 682 N CA 2.069 55.112 53.050 -0.012 0.000 0.856 682 N CB -0.613 37.937 38.487 0.105 0.000 1.023 682 N HN 0.705 nan 8.380 nan 0.000 0.424 683 Y N 0.453 120.710 120.300 -0.071 0.000 2.274 683 Y HA -0.256 4.309 4.550 0.025 0.000 0.290 683 Y C 2.425 178.272 175.900 -0.088 0.000 1.145 683 Y CA 1.141 59.199 58.100 -0.070 0.000 1.203 683 Y CB -0.361 38.066 38.460 -0.055 0.000 0.984 683 Y HN 0.030 nan 8.280 nan 0.000 0.533 684 Y N 0.349 120.512 120.300 -0.227 0.000 2.151 684 Y HA -0.326 4.238 4.550 0.025 0.000 0.284 684 Y C 2.020 177.718 175.900 -0.336 0.000 1.166 684 Y CA 2.124 60.065 58.100 -0.264 0.000 1.163 684 Y CB -0.397 37.913 38.460 -0.249 0.000 0.974 684 Y HN 0.132 nan 8.280 nan 0.000 0.511 685 L N -1.357 119.772 121.223 -0.157 0.000 2.131 685 L HA -0.216 4.139 4.340 0.025 0.000 0.206 685 L C 2.378 179.117 176.870 -0.219 0.000 1.087 685 L CA 1.182 55.915 54.840 -0.177 0.000 0.767 685 L CB -0.480 41.435 42.059 -0.241 0.000 0.917 685 L HN 0.250 nan 8.230 nan 0.000 0.441 686 M N -0.447 118.968 119.600 -0.308 0.000 2.117 686 M HA -0.229 4.266 4.480 0.025 0.000 0.262 686 M C 2.247 178.284 176.300 -0.437 0.000 1.065 686 M CA 1.710 56.825 55.300 -0.307 0.000 1.114 686 M CB -0.355 32.073 32.600 -0.287 0.000 1.361 686 M HN 0.205 nan 8.290 nan 0.000 0.408 687 E N 0.508 120.250 120.200 -0.763 0.000 2.031 687 E HA -0.215 4.150 4.350 0.025 0.000 0.193 687 E C 1.996 178.220 176.600 -0.627 0.000 0.994 687 E CA 1.472 57.387 56.400 -0.809 0.000 0.800 687 E CB -0.021 29.158 29.700 -0.869 0.000 0.752 687 E HN 0.486 nan 8.360 nan 0.000 0.447 688 A N 0.157 122.730 122.820 -0.411 0.000 1.933 688 A HA -0.201 4.134 4.320 0.025 0.000 0.218 688 A C 2.035 179.502 177.584 -0.196 0.000 1.175 688 A CA 1.451 53.342 52.037 -0.243 0.000 0.628 688 A CB -0.913 18.003 19.000 -0.139 0.000 0.814 688 A HN 0.553 nan 8.150 nan 0.000 0.444 689 Y N 0.634 120.768 120.300 -0.278 0.000 2.097 689 Y HA -0.255 4.309 4.550 0.025 0.000 0.282 689 Y C 2.416 178.184 175.900 -0.220 0.000 1.152 689 Y CA 2.435 60.404 58.100 -0.219 0.000 1.136 689 Y CB -0.308 38.039 38.460 -0.188 0.000 0.975 689 Y HN 0.323 nan 8.280 nan 0.000 0.498 690 K N -0.714 119.548 120.400 -0.230 0.000 2.113 690 K HA -0.243 4.092 4.320 0.025 0.000 0.208 690 K C 1.113 177.583 176.600 -0.217 0.000 1.047 690 K CA 2.143 58.273 56.287 -0.262 0.000 0.928 690 K CB -0.444 31.858 32.500 -0.330 0.000 0.716 690 K HN 0.602 nan 8.250 nan 0.000 0.446 691 H N 0.038 118.979 119.070 -0.216 0.000 2.538 691 H HA 0.192 4.763 4.556 0.025 0.000 0.286 691 H C -0.074 175.085 175.328 -0.282 0.000 1.035 691 H CA 0.157 56.078 56.048 -0.212 0.000 1.169 691 H CB 0.147 29.782 29.762 -0.211 0.000 1.417 691 H HN 0.117 nan 8.280 nan 0.000 0.567 692 L N -0.118 120.943 121.223 -0.269 0.000 4.291 692 L HA -0.275 4.080 4.340 0.025 0.000 0.413 692 L C -0.330 176.272 176.870 -0.447 0.000 1.162 692 L CA 0.565 55.155 54.840 -0.417 0.000 0.961 692 L CB -1.776 40.009 42.059 -0.456 0.000 2.095 692 L HN 0.292 nan 8.230 nan 0.000 0.838 693 K N 0.807 121.012 120.400 -0.325 0.000 2.185 693 K HA 0.460 4.795 4.320 0.025 0.000 0.271 693 K C -2.128 174.330 176.600 -0.236 0.000 1.013 693 K CA -1.796 54.322 56.287 -0.281 0.000 0.943 693 K CB 0.511 32.903 32.500 -0.181 0.000 0.998 693 K HN -0.210 nan 8.250 nan 0.000 0.468 694 P HA 0.042 nan 4.420 nan 0.000 0.265 694 P C -0.789 176.447 177.300 -0.108 0.000 1.193 694 P CA 0.431 63.431 63.100 -0.167 0.000 0.765 694 P CB 0.412 32.014 31.700 -0.163 0.000 0.823 695 I N 1.863 122.383 120.570 -0.082 0.000 2.582 695 I HA 0.611 4.796 4.170 0.025 0.000 0.292 695 I C -0.346 175.730 176.117 -0.068 0.000 1.066 695 I CA -0.791 60.481 61.300 -0.048 0.000 1.053 695 I CB 2.227 40.224 38.000 -0.006 0.000 1.241 695 I HN 0.251 nan 8.210 nan 0.000 0.421 696 A N 7.502 130.289 122.820 -0.055 0.000 2.343 696 A HA 0.919 5.253 4.320 0.025 0.000 0.316 696 A C -1.129 176.551 177.584 0.160 0.000 1.104 696 A CA -0.453 51.539 52.037 -0.075 0.000 0.768 696 A CB 1.044 19.865 19.000 -0.298 0.000 1.213 696 A HN 0.664 nan 8.150 nan 0.000 0.456 697 L N 2.022 123.401 121.223 0.260 0.000 2.406 697 L HA 0.711 5.066 4.340 0.025 0.000 0.272 697 L C 0.106 177.166 176.870 0.317 0.000 0.980 697 L CA -0.571 54.424 54.840 0.258 0.000 0.831 697 L CB 2.024 44.186 42.059 0.171 0.000 1.253 697 L HN 0.797 nan 8.230 nan 0.000 0.406 698 A N 2.313 125.231 122.820 0.164 0.000 2.330 698 A HA 0.888 5.222 4.320 0.025 0.000 0.327 698 A C 0.523 178.095 177.584 -0.021 0.000 1.155 698 A CA 0.270 52.277 52.037 -0.051 0.000 0.803 698 A CB 1.290 20.106 19.000 -0.306 0.000 1.208 698 A HN 1.015 nan 8.150 nan 0.000 0.477 699 G N 2.260 111.040 108.800 -0.033 0.000 2.547 699 G HA2 -0.312 3.663 3.960 0.025 0.000 0.271 699 G HA3 -0.312 3.663 3.960 0.025 0.000 0.271 699 G C 0.503 175.402 174.900 -0.002 0.000 1.209 699 G CA 0.646 45.730 45.100 -0.027 0.000 0.959 699 G HN 1.258 nan 8.290 nan 0.000 0.563 700 D N 1.135 121.529 120.400 -0.011 0.000 2.384 700 D HA 0.151 4.806 4.640 0.025 0.000 0.222 700 D C 2.270 178.564 176.300 -0.010 0.000 0.976 700 D CA 1.634 55.622 54.000 -0.021 0.000 0.915 700 D CB -0.688 40.091 40.800 -0.035 0.000 0.896 700 D HN 1.054 nan 8.370 nan 0.000 0.523 701 A N 1.077 123.928 122.820 0.052 0.000 2.125 701 A HA -0.145 4.190 4.320 0.025 0.000 0.219 701 A C 2.215 179.901 177.584 0.171 0.000 1.156 701 A CA 0.585 52.721 52.037 0.164 0.000 0.671 701 A CB -0.642 18.485 19.000 0.212 0.000 0.794 701 A HN 0.113 nan 8.150 nan 0.000 0.459 702 R N -0.197 120.354 120.500 0.085 0.000 2.200 702 R HA -0.127 4.228 4.340 0.025 0.000 0.234 702 R C 1.726 178.037 176.300 0.018 0.000 1.127 702 R CA 1.444 57.584 56.100 0.066 0.000 0.989 702 R CB -0.213 30.113 30.300 0.043 0.000 0.869 702 R HN 0.528 nan 8.270 nan 0.000 0.459 703 K N -0.321 120.042 120.400 -0.062 0.000 2.281 703 K HA -0.133 4.202 4.320 0.025 0.000 0.203 703 K C 1.309 177.812 176.600 -0.162 0.000 1.046 703 K CA 1.192 57.390 56.287 -0.149 0.000 0.938 703 K CB -0.096 32.256 32.500 -0.246 0.000 0.737 703 K HN 0.178 nan 8.250 nan 0.000 0.458 704 F N 1.413 121.339 119.950 -0.041 0.000 2.546 704 F HA -0.095 4.447 4.527 0.025 0.000 0.298 704 F C 1.848 177.600 175.800 -0.080 0.000 1.120 704 F CA 0.651 58.615 58.000 -0.060 0.000 1.456 704 F CB -0.051 38.914 39.000 -0.058 0.000 1.088 704 F HN -0.056 nan 8.300 nan 0.000 0.572 705 K N 0.447 120.897 120.400 0.082 0.000 2.127 705 K HA -0.257 4.077 4.320 0.025 0.000 0.208 705 K C 2.334 178.910 176.600 -0.040 0.000 1.047 705 K CA 1.366 57.652 56.287 -0.001 0.000 0.927 705 K CB -0.431 32.065 32.500 -0.007 0.000 0.716 705 K HN 0.289 nan 8.250 nan 0.000 0.450 706 A N 0.754 123.557 122.820 -0.028 0.000 1.933 706 A HA -0.157 4.178 4.320 0.025 0.000 0.218 706 A C 2.187 179.745 177.584 -0.043 0.000 1.175 706 A CA 2.007 54.020 52.037 -0.041 0.000 0.628 706 A CB -0.861 18.114 19.000 -0.042 0.000 0.814 706 A HN 0.276 nan 8.150 nan 0.000 0.444 707 T N 0.760 115.308 114.554 -0.011 0.000 2.759 707 T HA -0.127 4.238 4.350 0.025 0.000 0.269 707 T C 1.526 176.162 174.700 -0.105 0.000 1.042 707 T CA 1.738 63.831 62.100 -0.011 0.000 1.140 707 T CB -0.494 68.422 68.868 0.080 0.000 0.864 707 T HN 0.707 nan 8.240 nan 0.000 0.455 708 I N -1.821 118.633 120.570 -0.194 0.000 3.928 708 I HA 0.337 4.521 4.170 0.025 0.000 0.335 708 I C -0.283 175.569 176.117 -0.442 0.000 1.325 708 I CA -0.393 60.649 61.300 -0.430 0.000 1.107 708 I CB -0.047 37.537 38.000 -0.693 0.000 1.014 708 I HN -0.088 nan 8.210 nan 0.000 0.400 709 K N 1.911 122.176 120.400 -0.226 0.000 3.239 709 K HA -0.109 4.226 4.320 0.025 0.000 0.270 709 K C -0.491 176.030 176.600 -0.131 0.000 1.049 709 K CA 0.422 56.623 56.287 -0.144 0.000 0.769 709 K CB -1.709 30.729 32.500 -0.103 0.000 1.305 709 K HN 0.346 nan 8.250 nan 0.000 0.469 710 I N 0.634 121.131 120.570 -0.122 0.000 2.365 710 I HA 0.280 4.464 4.170 0.025 0.000 0.291 710 I C 1.361 177.456 176.117 -0.037 0.000 1.004 710 I CA -1.015 60.240 61.300 -0.074 0.000 1.311 710 I CB 0.923 38.885 38.000 -0.063 0.000 1.401 710 I HN 0.290 nan 8.210 nan 0.000 0.491 711 A N 4.805 127.615 122.820 -0.017 0.000 2.483 711 A HA 0.082 4.417 4.320 0.025 0.000 0.238 711 A C 1.115 178.695 177.584 -0.006 0.000 1.070 711 A CA -0.183 51.849 52.037 -0.009 0.000 0.770 711 A CB 0.028 19.028 19.000 -0.000 0.000 1.008 711 A HN 0.773 nan 8.150 nan 0.000 0.497 712 D N 0.554 120.950 120.400 -0.006 0.000 2.149 712 D HA -0.211 4.444 4.640 0.025 0.000 0.194 712 D C 1.913 178.214 176.300 0.002 0.000 1.001 712 D CA 2.006 56.004 54.000 -0.003 0.000 0.849 712 D CB -0.057 40.741 40.800 -0.003 0.000 0.939 712 D HN 0.788 nan 8.370 nan 0.000 0.449 713 Q N 1.246 121.048 119.800 0.003 0.000 2.482 713 Q HA 0.060 4.415 4.340 0.025 0.000 0.209 713 Q C 0.740 176.744 176.000 0.007 0.000 0.961 713 Q CA 1.179 56.985 55.803 0.005 0.000 0.945 713 Q CB -0.077 28.664 28.738 0.005 0.000 1.012 713 Q HN 0.198 nan 8.270 nan 0.000 0.515 714 G N 1.155 109.959 108.800 0.007 0.000 2.685 714 G HA2 -0.222 3.753 3.960 0.025 0.000 0.387 714 G HA3 -0.222 3.753 3.960 0.025 0.000 0.387 714 G C -1.200 173.706 174.900 0.010 0.000 1.324 714 G CA -0.164 44.941 45.100 0.008 0.000 0.878 714 G HN 0.648 nan 8.290 nan 0.000 0.527 715 E N -0.823 119.384 120.200 0.011 0.000 2.390 715 E HA 0.530 4.895 4.350 0.025 0.000 0.280 715 E C -0.775 175.825 176.600 -0.001 0.000 0.992 715 E CA -1.011 55.397 56.400 0.014 0.000 0.790 715 E CB 1.375 31.097 29.700 0.037 0.000 1.248 715 E HN 0.420 nan 8.360 nan 0.000 0.447 716 E N 0.982 121.174 120.200 -0.014 0.000 2.465 716 E HA 0.210 4.575 4.350 0.025 0.000 0.260 716 E C 0.891 177.454 176.600 -0.062 0.000 0.980 716 E CA 1.617 57.992 56.400 -0.040 0.000 0.927 716 E CB 0.893 30.567 29.700 -0.044 0.000 0.934 716 E HN 0.935 nan 8.360 nan 0.000 0.459 717 G N 2.792 111.541 108.800 -0.086 0.000 2.194 717 G HA2 -0.206 3.769 3.960 0.025 0.000 0.236 717 G HA3 -0.206 3.769 3.960 0.025 0.000 0.236 717 G C 0.137 174.987 174.900 -0.082 0.000 0.987 717 G CA -0.285 44.744 45.100 -0.118 0.000 0.635 717 G HN 0.407 nan 8.290 nan 0.000 0.520 718 I N 1.944 122.488 120.570 -0.044 0.000 2.382 718 I HA 0.469 4.654 4.170 0.025 0.000 0.286 718 I C 0.389 176.468 176.117 -0.064 0.000 1.002 718 I CA -1.154 60.129 61.300 -0.028 0.000 1.135 718 I CB 1.387 39.400 38.000 0.022 0.000 1.288 718 I HN -0.109 nan 8.210 nan 0.000 0.448 719 V N 7.492 127.331 119.914 -0.126 0.000 2.432 719 V HA 0.382 4.517 4.120 0.025 0.000 0.275 719 V C 0.194 176.233 176.094 -0.092 0.000 1.043 719 V CA -0.429 61.750 62.300 -0.201 0.000 0.925 719 V CB 1.173 32.716 31.823 -0.466 0.000 0.985 719 V HN 0.851 nan 8.190 nan 0.000 0.466 720 E N 4.275 124.496 120.200 0.035 0.000 2.343 720 E HA 0.889 5.254 4.350 0.025 0.000 0.278 720 E C -0.934 175.806 176.600 0.233 0.000 0.910 720 E CA -0.974 55.540 56.400 0.189 0.000 0.757 720 E CB 2.617 32.381 29.700 0.107 0.000 1.218 720 E HN 0.763 nan 8.360 nan 0.000 0.435 721 A N 1.722 124.707 122.820 0.274 0.000 2.564 721 A HA 0.372 4.707 4.320 0.025 0.000 0.291 721 A C -0.528 177.083 177.584 0.046 0.000 1.102 721 A CA -0.624 51.508 52.037 0.158 0.000 0.660 721 A CB 1.145 20.275 19.000 0.217 0.000 1.283 721 A HN 0.589 nan 8.150 nan 0.000 0.430 722 D N 0.424 120.828 120.400 0.006 0.000 2.178 722 D HA 0.040 4.695 4.640 0.025 0.000 0.201 722 D C 1.030 177.279 176.300 -0.084 0.000 0.980 722 D CA 2.314 56.297 54.000 -0.029 0.000 0.842 722 D CB 0.100 40.887 40.800 -0.022 0.000 0.948 722 D HN 0.792 nan 8.370 nan 0.000 0.472 723 S N -1.973 113.642 115.700 -0.142 0.000 2.638 723 S HA 0.631 5.116 4.470 0.025 0.000 0.274 723 S C -0.090 174.215 174.600 -0.492 0.000 1.157 723 S CA -0.381 57.673 58.200 -0.243 0.000 0.826 723 S CB 1.832 64.943 63.200 -0.147 0.000 1.139 723 S HN -0.064 nan 8.310 nan 0.000 0.474 724 A N 0.994 123.448 122.820 -0.611 0.000 2.310 724 A HA 0.314 4.649 4.320 0.025 0.000 0.230 724 A C 0.567 177.982 177.584 -0.282 0.000 1.294 724 A CA 0.353 51.847 52.037 -0.905 0.000 0.898 724 A CB -1.346 17.259 19.000 -0.658 0.000 0.917 724 A HN 0.878 nan 8.150 nan 0.000 0.491 725 D N -1.893 118.410 120.400 -0.161 0.000 2.539 725 D HA 0.514 5.169 4.640 0.025 0.000 0.280 725 D C 1.147 177.468 176.300 0.035 0.000 1.208 725 D CA 0.298 54.276 54.000 -0.036 0.000 1.088 725 D CB -0.361 40.415 40.800 -0.041 0.000 1.149 725 D HN 0.589 nan 8.370 nan 0.000 0.596 726 G N 0.018 108.839 108.800 0.034 0.000 2.672 726 G HA2 -0.336 3.639 3.960 0.025 0.000 0.324 726 G HA3 -0.336 3.639 3.960 0.025 0.000 0.324 726 G C 0.886 175.834 174.900 0.079 0.000 1.286 726 G CA 2.109 47.238 45.100 0.049 0.000 1.004 726 G HN 1.376 nan 8.290 nan 0.000 0.548 727 S N -0.061 115.692 115.700 0.089 0.000 2.605 727 S HA 0.343 4.828 4.470 0.025 0.000 0.217 727 S C 1.766 176.438 174.600 0.119 0.000 0.958 727 S CA 1.029 59.278 58.200 0.081 0.000 0.919 727 S CB 0.002 63.232 63.200 0.050 0.000 0.780 727 S HN 0.945 nan 8.310 nan 0.000 0.507 728 F N 2.530 122.478 119.950 -0.003 0.000 2.095 728 F HA -0.045 4.497 4.527 0.025 0.000 0.298 728 F C 2.169 177.966 175.800 -0.006 0.000 1.104 728 F CA 1.587 59.585 58.000 -0.004 0.000 1.232 728 F CB -0.220 38.779 39.000 -0.002 0.000 0.987 728 F HN 0.160 nan 8.300 nan 0.000 0.475 729 M N 0.141 119.887 119.600 0.244 0.000 2.200 729 M HA -0.151 4.344 4.480 0.025 0.000 0.265 729 M C 1.752 178.054 176.300 0.004 0.000 1.066 729 M CA 1.271 56.634 55.300 0.106 0.000 1.127 729 M CB -1.331 31.355 32.600 0.143 0.000 1.379 729 M HN 0.124 nan 8.290 nan 0.000 0.420 730 D N 0.527 120.938 120.400 0.017 0.000 2.144 730 D HA -0.143 4.512 4.640 0.025 0.000 0.199 730 D C 1.957 178.232 176.300 -0.040 0.000 0.984 730 D CA 1.153 55.149 54.000 -0.007 0.000 0.834 730 D CB -0.089 40.715 40.800 0.006 0.000 0.955 730 D HN 0.475 nan 8.370 nan 0.000 0.465 731 E N 0.291 120.451 120.200 -0.067 0.000 2.106 731 E HA -0.088 4.277 4.350 0.025 0.000 0.192 731 E C 2.130 178.645 176.600 -0.142 0.000 0.984 731 E CA 0.053 56.394 56.400 -0.099 0.000 0.806 731 E CB 0.005 29.638 29.700 -0.113 0.000 0.750 731 E HN 0.154 nan 8.360 nan 0.000 0.458 732 L N 1.020 122.121 121.223 -0.203 0.000 2.012 732 L HA -0.202 4.153 4.340 0.025 0.000 0.210 732 L C 2.137 178.938 176.870 -0.116 0.000 1.073 732 L CA 1.676 56.395 54.840 -0.202 0.000 0.748 732 L CB -0.414 41.491 42.059 -0.256 0.000 0.891 732 L HN 0.248 nan 8.230 nan 0.000 0.431 733 L N -0.660 120.515 121.223 -0.079 0.000 2.141 733 L HA -0.195 4.160 4.340 0.025 0.000 0.209 733 L C 2.460 179.305 176.870 -0.042 0.000 1.094 733 L CA 1.395 56.207 54.840 -0.047 0.000 0.763 733 L CB -0.677 41.365 42.059 -0.028 0.000 0.908 733 L HN 0.262 nan 8.230 nan 0.000 0.437 734 T N 0.142 114.667 114.554 -0.048 0.000 2.777 734 T HA -0.134 4.231 4.350 0.025 0.000 0.266 734 T C 1.952 176.620 174.700 -0.053 0.000 1.040 734 T CA 1.169 63.245 62.100 -0.040 0.000 1.141 734 T CB -0.203 68.643 68.868 -0.038 0.000 0.868 734 T HN 0.190 nan 8.240 nan 0.000 0.444 735 L N 0.330 121.503 121.223 -0.085 0.000 2.042 735 L HA -0.089 4.266 4.340 0.025 0.000 0.210 735 L C 2.693 179.498 176.870 -0.107 0.000 1.076 735 L CA 1.340 56.111 54.840 -0.116 0.000 0.749 735 L CB -0.573 41.398 42.059 -0.147 0.000 0.893 735 L HN 0.305 nan 8.230 nan 0.000 0.432 736 M N -0.768 118.785 119.600 -0.077 0.000 2.229 736 M HA -0.145 4.350 4.480 0.025 0.000 0.264 736 M C 2.456 178.757 176.300 0.003 0.000 1.063 736 M CA 1.572 56.845 55.300 -0.045 0.000 1.114 736 M CB -0.458 32.125 32.600 -0.028 0.000 1.387 736 M HN 0.315 nan 8.290 nan 0.000 0.420 737 A N 0.281 123.103 122.820 0.003 0.000 2.015 737 A HA 0.058 4.392 4.320 0.025 0.000 0.219 737 A C 2.102 179.726 177.584 0.067 0.000 1.163 737 A CA 1.678 53.737 52.037 0.036 0.000 0.646 737 A CB -0.577 18.438 19.000 0.025 0.000 0.806 737 A HN 0.491 nan 8.150 nan 0.000 0.448 738 A N -2.662 120.176 122.820 0.030 0.000 2.307 738 A HA 0.391 4.725 4.320 0.025 0.000 0.218 738 A C 0.852 178.461 177.584 0.043 0.000 1.228 738 A CA 1.140 53.211 52.037 0.057 0.000 0.857 738 A CB -0.466 18.532 19.000 -0.003 0.000 0.897 738 A HN 0.932 nan 8.150 nan 0.000 0.495 739 H N -1.185 117.828 119.070 -0.094 0.000 4.806 739 H HA -0.180 4.391 4.556 0.025 0.000 0.061 739 H C 0.100 175.210 175.328 -0.364 0.000 0.604 739 H CA 2.374 58.348 56.048 -0.124 0.000 0.938 739 H CB -0.603 29.192 29.762 0.056 0.000 0.431 739 H HN 0.463 nan 8.280 nan 0.000 0.803 740 R N -0.464 119.462 120.500 -0.956 0.000 2.855 740 R HA 0.650 5.005 4.340 0.025 0.000 0.266 740 R C -0.644 174.801 176.300 -1.424 0.000 1.034 740 R CA -0.273 55.022 56.100 -1.342 0.000 0.944 740 R CB 1.559 30.748 30.300 -1.853 0.000 1.219 740 R HN 0.067 nan 8.270 nan 0.000 0.474 741 V N 2.139 121.417 119.914 -1.060 0.000 2.192 741 V HA 0.119 4.254 4.120 0.025 0.000 0.264 741 V C 0.557 176.263 176.094 -0.646 0.000 1.155 741 V CA -0.508 61.368 62.300 -0.707 0.000 1.005 741 V CB -0.209 31.343 31.823 -0.452 0.000 1.201 741 V HN 0.702 nan 8.190 nan 0.000 0.468 742 W N 1.377 122.383 121.300 -0.490 0.000 2.364 742 W HA -0.202 4.472 4.660 0.025 0.000 0.281 742 W C 2.523 178.824 176.519 -0.364 0.000 1.219 742 W CA 0.964 57.930 57.345 -0.632 0.000 1.220 742 W CB -0.490 28.140 29.460 -1.383 0.000 1.127 742 W HN 0.644 nan 8.180 nan 0.000 0.556 743 S N 0.725 116.363 115.700 -0.104 0.000 2.469 743 S HA -0.164 4.321 4.470 0.025 0.000 0.238 743 S C 1.734 176.295 174.600 -0.065 0.000 0.998 743 S CA 0.976 59.145 58.200 -0.052 0.000 0.957 743 S CB -0.418 62.753 63.200 -0.047 0.000 0.764 743 S HN 0.430 nan 8.310 nan 0.000 0.514 744 R N 0.576 120.993 120.500 -0.137 0.000 2.275 744 R HA 0.259 4.614 4.340 0.025 0.000 0.199 744 R C 1.790 178.022 176.300 -0.113 0.000 0.989 744 R CA 0.376 56.375 56.100 -0.169 0.000 1.016 744 R CB -0.347 29.739 30.300 -0.357 0.000 0.918 744 R HN 0.485 nan 8.270 nan 0.000 0.473 745 I N 1.658 122.200 120.570 -0.047 0.000 2.151 745 I HA -0.235 3.950 4.170 0.025 0.000 0.243 745 I C -0.817 175.327 176.117 0.044 0.000 1.080 745 I CA 1.396 62.714 61.300 0.029 0.000 1.339 745 I CB -0.891 37.176 38.000 0.113 0.000 1.039 745 I HN 0.153 nan 8.210 nan 0.000 0.409 746 P HA -0.143 nan 4.420 nan 0.000 0.220 746 P C 1.274 178.605 177.300 0.051 0.000 1.148 746 P CA 1.284 64.416 63.100 0.053 0.000 0.803 746 P CB 0.045 31.774 31.700 0.048 0.000 0.782 747 K N -0.225 120.201 120.400 0.043 0.000 2.155 747 K HA -0.001 4.334 4.320 0.025 0.000 0.203 747 K C 1.961 178.623 176.600 0.104 0.000 1.052 747 K CA 0.850 57.185 56.287 0.081 0.000 0.948 747 K CB -0.809 31.761 32.500 0.116 0.000 0.728 747 K HN 0.284 nan 8.250 nan 0.000 0.448 748 I N -2.202 118.397 120.570 0.049 0.000 2.876 748 I HA -0.025 4.160 4.170 0.025 0.000 0.264 748 I C 1.326 177.485 176.117 0.069 0.000 1.204 748 I CA 1.155 62.488 61.300 0.056 0.000 1.485 748 I CB -0.164 37.814 38.000 -0.036 0.000 1.103 748 I HN -0.072 nan 8.210 nan 0.000 0.446 749 D N 2.824 123.266 120.400 0.070 0.000 2.239 749 D HA -0.241 4.414 4.640 0.025 0.000 0.202 749 D C 1.862 178.204 176.300 0.070 0.000 0.993 749 D CA 1.819 55.864 54.000 0.075 0.000 0.874 749 D CB 0.102 40.947 40.800 0.075 0.000 0.922 749 D HN 0.640 nan 8.370 nan 0.000 0.464 750 K N -0.479 119.962 120.400 0.068 0.000 2.413 750 K HA 0.153 4.487 4.320 0.025 0.000 0.204 750 K C 0.536 177.170 176.600 0.057 0.000 1.041 750 K CA -0.389 55.934 56.287 0.059 0.000 1.082 750 K CB 0.465 32.995 32.500 0.052 0.000 0.871 750 K HN 0.174 nan 8.250 nan 0.000 0.535 751 I N 4.422 125.033 120.570 0.068 0.000 2.556 751 I HA 0.068 4.252 4.170 0.025 0.000 0.284 751 I C -2.042 174.106 176.117 0.052 0.000 1.114 751 I CA -2.143 59.194 61.300 0.061 0.000 1.418 751 I CB 1.002 39.055 38.000 0.089 0.000 1.394 751 I HN 0.033 nan 8.210 nan 0.000 0.552 752 P HA 0.372 nan 4.420 nan 0.000 0.241 752 P C -1.023 176.333 177.300 0.093 0.000 1.780 752 P CA -0.085 63.050 63.100 0.059 0.000 1.111 752 P CB 0.383 32.112 31.700 0.047 0.000 1.852 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.335 4.320 0.025 0.000 0.244 753 A CA 0.000 52.141 52.037 0.174 0.000 0.836 753 A CB 0.000 19.001 19.000 0.002 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486