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 1ggy_1_A DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVELXXXXXX XXXXXEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TXXXXXXXSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVEFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.780 175.800 -0.034 0.000 0.967 8 F CA 0.000 57.986 58.000 -0.024 0.000 1.383 8 F CB 0.000 38.988 39.000 -0.019 0.000 1.145 9 G N 1.032 109.430 108.800 -0.670 0.000 2.267 9 G HA2 0.068 4.035 3.960 0.013 0.000 0.257 9 G HA3 0.068 4.035 3.960 0.013 0.000 0.257 9 G C 2.083 176.753 174.900 -0.383 0.000 0.998 9 G CA 1.713 46.508 45.100 -0.507 0.000 0.620 9 G HN 2.380 nan 8.290 nan 0.000 0.529 10 G N 0.101 108.733 108.800 -0.280 0.000 4.236 10 G HA2 -0.396 3.571 3.960 0.013 0.000 0.222 10 G HA3 -0.396 3.571 3.960 0.013 0.000 0.222 10 G C 1.329 176.174 174.900 -0.091 0.000 1.354 10 G CA 2.200 47.213 45.100 -0.145 0.000 0.966 10 G HN 1.716 nan 8.290 nan 0.000 0.624 11 R N 1.306 121.741 120.500 -0.108 0.000 2.080 11 R HA 0.320 4.668 4.340 0.013 0.000 0.222 11 R C 1.349 177.610 176.300 -0.067 0.000 1.107 11 R CA 1.483 57.538 56.100 -0.076 0.000 0.980 11 R CB -0.058 30.194 30.300 -0.079 0.000 0.879 11 R HN 0.575 nan 8.270 nan 0.000 0.439 12 R N -1.833 118.615 120.500 -0.086 0.000 2.837 12 R HA 0.524 4.871 4.340 0.013 0.000 0.271 12 R C 0.073 176.328 176.300 -0.076 0.000 0.993 12 R CA -0.054 56.000 56.100 -0.076 0.000 0.931 12 R CB 1.767 32.011 30.300 -0.093 0.000 1.206 12 R HN 0.145 nan 8.270 nan 0.000 0.474 13 A N 1.158 123.946 122.820 -0.054 0.000 1.898 13 A HA 0.065 4.393 4.320 0.013 0.000 0.214 13 A C 0.585 178.129 177.584 -0.068 0.000 1.183 13 A CA 1.017 53.034 52.037 -0.033 0.000 0.622 13 A CB 0.140 19.132 19.000 -0.014 0.000 0.824 13 A HN 0.318 nan 8.150 nan 0.000 0.444 14 V N -2.792 117.053 119.914 -0.115 0.000 2.656 14 V HA 0.536 4.664 4.120 0.013 0.000 0.307 14 V C -3.066 172.827 176.094 -0.336 0.000 1.051 14 V CA -2.807 59.355 62.300 -0.228 0.000 0.893 14 V CB 1.151 32.873 31.823 -0.168 0.000 0.999 14 V HN 0.067 nan 8.190 nan 0.000 0.426 15 P HA 0.231 nan 4.420 nan 0.000 0.268 15 P C -2.529 174.550 177.300 -0.368 0.000 1.208 15 P CA -0.652 62.155 63.100 -0.489 0.000 0.777 15 P CB -0.210 31.106 31.700 -0.639 0.000 0.875 16 P HA 0.011 nan 4.420 nan 0.000 0.269 16 P C -0.483 176.869 177.300 0.086 0.000 1.209 16 P CA 0.171 63.253 63.100 -0.030 0.000 0.776 16 P CB 0.366 32.057 31.700 -0.015 0.000 0.876 17 N N 2.582 121.351 118.700 0.115 0.000 2.801 17 N HA 0.082 4.830 4.740 0.013 0.000 0.235 17 N C -0.017 175.544 175.510 0.085 0.000 1.069 17 N CA -0.345 52.801 53.050 0.159 0.000 0.946 17 N CB -0.706 37.871 38.487 0.149 0.000 1.212 17 N HN 0.282 nan 8.380 nan 0.000 0.509 18 N N -0.275 118.470 118.700 0.075 0.000 2.299 18 N HA 0.119 4.866 4.740 0.013 0.000 0.246 18 N C -0.901 174.630 175.510 0.035 0.000 1.254 18 N CA -0.402 52.675 53.050 0.046 0.000 0.879 18 N CB 0.465 38.974 38.487 0.036 0.000 1.214 18 N HN 0.061 nan 8.380 nan 0.000 0.510 19 S N -0.107 115.612 115.700 0.033 0.000 2.707 19 S HA 0.334 4.812 4.470 0.013 0.000 0.303 19 S C 0.099 174.699 174.600 0.001 0.000 1.132 19 S CA -0.734 57.479 58.200 0.022 0.000 1.046 19 S CB 0.652 63.869 63.200 0.027 0.000 1.004 19 S HN 0.338 nan 8.310 nan 0.000 0.483 20 N N 3.602 122.300 118.700 -0.003 0.000 2.409 20 N HA 0.028 4.776 4.740 0.013 0.000 0.179 20 N C 1.649 177.143 175.510 -0.027 0.000 1.032 20 N CA 0.905 53.931 53.050 -0.040 0.000 0.898 20 N CB -0.053 38.417 38.487 -0.030 0.000 0.971 20 N HN 0.649 nan 8.380 nan 0.000 0.441 21 A N 0.546 123.372 122.820 0.009 0.000 1.930 21 A HA 0.320 4.648 4.320 0.013 0.000 0.215 21 A C 1.076 178.655 177.584 -0.008 0.000 1.176 21 A CA 0.563 52.609 52.037 0.015 0.000 0.632 21 A CB -0.442 18.591 19.000 0.054 0.000 0.819 21 A HN 0.349 nan 8.150 nan 0.000 0.445 22 A N 0.820 123.631 122.820 -0.015 0.000 2.440 22 A HA 0.482 4.809 4.320 0.013 0.000 0.251 22 A C 0.118 177.664 177.584 -0.065 0.000 1.089 22 A CA 0.185 52.198 52.037 -0.039 0.000 0.779 22 A CB -0.130 18.843 19.000 -0.045 0.000 1.022 22 A HN 0.651 nan 8.150 nan 0.000 0.492 23 E N 1.780 121.937 120.200 -0.071 0.000 2.367 23 E HA 0.531 4.889 4.350 0.013 0.000 0.273 23 E C -1.782 174.766 176.600 -0.086 0.000 0.903 23 E CA -0.981 55.380 56.400 -0.065 0.000 0.764 23 E CB 1.765 31.449 29.700 -0.026 0.000 1.252 23 E HN 0.602 nan 8.360 nan 0.000 0.446 24 D N 1.630 121.981 120.400 -0.082 0.000 2.185 24 D HA 0.204 4.851 4.640 0.013 0.000 0.247 24 D C -0.816 175.464 176.300 -0.034 0.000 1.027 24 D CA -0.586 53.358 54.000 -0.092 0.000 0.861 24 D CB 1.659 42.377 40.800 -0.136 0.000 1.202 24 D HN 0.304 nan 8.370 nan 0.000 0.453 25 D N 1.759 122.139 120.400 -0.034 0.000 2.325 25 D HA 0.194 4.842 4.640 0.013 0.000 0.251 25 D C -0.079 176.191 176.300 -0.050 0.000 1.196 25 D CA -0.308 53.685 54.000 -0.012 0.000 0.866 25 D CB 0.623 41.418 40.800 -0.009 0.000 1.101 25 D HN 0.325 nan 8.370 nan 0.000 0.476 26 L N 5.639 126.806 121.223 -0.093 0.000 2.380 26 L HA 0.307 4.655 4.340 0.013 0.000 0.273 26 L C -1.551 175.238 176.870 -0.135 0.000 1.138 26 L CA -1.521 53.202 54.840 -0.196 0.000 0.832 26 L CB 0.865 42.620 42.059 -0.508 0.000 1.124 26 L HN 0.269 nan 8.230 nan 0.000 0.454 27 P HA 0.095 nan 4.420 nan 0.000 0.275 27 P C 0.320 177.562 177.300 -0.098 0.000 1.228 27 P CA -0.364 62.686 63.100 -0.084 0.000 0.786 27 P CB 1.128 32.783 31.700 -0.074 0.000 0.927 28 T N -0.806 113.709 114.554 -0.065 0.000 3.014 28 T HA 0.050 4.408 4.350 0.013 0.000 0.263 28 T C 0.837 175.494 174.700 -0.071 0.000 1.078 28 T CA 0.257 62.322 62.100 -0.059 0.000 1.135 28 T CB -0.115 68.734 68.868 -0.031 0.000 0.895 28 T HN 0.305 nan 8.240 nan 0.000 0.480 29 V N 3.027 122.904 119.914 -0.062 0.000 2.516 29 V HA 0.357 4.485 4.120 0.013 0.000 0.271 29 V C -1.468 174.595 176.094 -0.052 0.000 0.992 29 V CA -0.965 61.301 62.300 -0.056 0.000 0.857 29 V CB 1.139 32.944 31.823 -0.029 0.000 1.047 29 V HN 0.594 nan 8.190 nan 0.000 0.455 30 E N 8.132 128.289 120.200 -0.072 0.000 2.055 30 E HA 0.704 5.062 4.350 0.013 0.000 0.274 30 E C -0.617 175.965 176.600 -0.030 0.000 0.949 30 E CA -0.660 55.708 56.400 -0.054 0.000 0.775 30 E CB 1.562 31.220 29.700 -0.070 0.000 1.097 30 E HN 0.701 nan 8.360 nan 0.000 0.404 44 F N 1.204 121.161 119.950 0.012 0.000 2.563 44 F HA 0.829 5.364 4.527 0.013 0.000 0.316 44 F C -0.859 174.929 175.800 -0.020 0.000 1.076 44 F CA -1.845 56.156 58.000 0.003 0.000 0.921 44 F CB 2.057 41.057 39.000 0.000 0.000 1.209 44 F HN 0.206 nan 8.300 nan 0.000 0.462 45 L N 3.988 124.994 121.223 -0.363 0.000 5.474 45 L HA -0.046 4.302 4.340 0.013 0.000 0.343 45 L C -1.728 175.017 176.870 -0.208 0.000 1.114 45 L CA -0.101 54.563 54.840 -0.293 0.000 0.807 45 L CB -0.292 41.596 42.059 -0.285 0.000 1.589 45 L HN 0.809 nan 8.230 nan 0.000 0.622 46 N N 2.337 120.958 118.700 -0.132 0.000 2.410 46 N HA 0.704 5.452 4.740 0.013 0.000 0.287 46 N C -1.024 174.537 175.510 0.085 0.000 1.044 46 N CA -0.607 52.417 53.050 -0.044 0.000 0.881 46 N CB 2.969 41.375 38.487 -0.136 0.000 1.405 46 N HN 0.447 nan 8.380 nan 0.000 0.490 47 V N 3.003 122.964 119.914 0.079 0.000 2.530 47 V HA 0.194 4.321 4.120 0.013 0.000 0.282 47 V C 1.270 177.302 176.094 -0.104 0.000 1.048 47 V CA 0.466 62.721 62.300 -0.075 0.000 0.997 47 V CB 1.014 32.709 31.823 -0.213 0.000 0.987 47 V HN 0.891 nan 8.190 nan 0.000 0.477 48 T N 2.376 116.853 114.554 -0.129 0.000 3.031 48 T HA 0.251 4.609 4.350 0.013 0.000 0.254 48 T C 0.675 175.303 174.700 -0.120 0.000 1.060 48 T CA 0.588 62.631 62.100 -0.094 0.000 1.135 48 T CB -0.167 68.664 68.868 -0.062 0.000 0.896 48 T HN 1.511 nan 8.240 nan 0.000 0.472 49 S N -0.548 115.048 115.700 -0.173 0.000 2.597 49 S HA 0.583 5.061 4.470 0.013 0.000 0.274 49 S C -1.626 172.815 174.600 -0.264 0.000 1.132 49 S CA -0.998 57.075 58.200 -0.213 0.000 0.835 49 S CB 1.532 64.613 63.200 -0.198 0.000 1.092 49 S HN 0.252 nan 8.310 nan 0.000 0.457 50 V N 2.585 122.300 119.914 -0.331 0.000 2.715 50 V HA 0.648 4.776 4.120 0.013 0.000 0.310 50 V C -0.811 175.020 176.094 -0.438 0.000 1.054 50 V CA -0.534 61.587 62.300 -0.299 0.000 0.928 50 V CB 1.733 33.410 31.823 -0.244 0.000 1.007 50 V HN 0.981 nan 8.190 nan 0.000 0.437 51 H N 4.261 123.187 119.070 -0.239 0.000 2.823 51 H HA 0.549 5.113 4.556 0.012 0.000 0.332 51 H C -1.054 173.930 175.328 -0.574 0.000 0.980 51 H CA -0.330 55.531 56.048 -0.312 0.000 1.286 51 H CB 1.965 31.593 29.762 -0.224 0.000 1.541 51 H HN 0.438 nan 8.280 nan 0.000 0.521 52 L N 2.147 123.136 121.223 -0.390 0.000 2.358 52 L HA 0.365 4.713 4.340 0.013 0.000 0.268 52 L C -0.189 176.373 176.870 -0.514 0.000 1.032 52 L CA -0.881 53.712 54.840 -0.412 0.000 0.805 52 L CB 0.952 42.927 42.059 -0.140 0.000 1.253 52 L HN 0.399 nan 8.230 nan 0.000 0.452 53 F N 0.723 120.735 119.950 0.103 0.000 2.578 53 F HA 0.342 4.876 4.527 0.012 0.000 0.314 53 F C 1.175 176.946 175.800 -0.049 0.000 1.225 53 F CA -0.862 57.158 58.000 0.034 0.000 1.215 53 F CB -0.397 38.643 39.000 0.067 0.000 1.448 53 F HN 0.416 nan 8.300 nan 0.000 0.548 54 K N -0.169 120.228 120.400 -0.005 0.000 1.970 54 K HA -0.132 4.196 4.320 0.013 0.000 0.225 54 K C 0.303 176.782 176.600 -0.202 0.000 1.045 54 K CA 0.955 57.188 56.287 -0.089 0.000 1.002 54 K CB -0.320 32.119 32.500 -0.102 0.000 0.743 54 K HN 0.133 nan 8.250 nan 0.000 0.445 55 E N 1.525 121.507 120.200 -0.363 0.000 2.032 55 E HA -0.226 4.131 4.350 0.013 0.000 0.352 55 E C 0.590 176.769 176.600 -0.702 0.000 0.649 55 E CA 0.740 56.679 56.400 -0.769 0.000 1.307 55 E CB -0.315 28.479 29.700 -1.510 0.000 0.491 55 E HN 0.250 nan 8.360 nan 0.000 0.414 56 R N 1.738 122.001 120.500 -0.394 0.000 2.407 56 R HA -0.211 4.137 4.340 0.013 0.000 0.241 56 R C 1.643 177.929 176.300 -0.024 0.000 1.180 56 R CA 1.871 57.884 56.100 -0.145 0.000 1.048 56 R CB -0.313 29.971 30.300 -0.027 0.000 0.847 56 R HN 0.668 nan 8.270 nan 0.000 0.488 57 W N -0.570 120.746 121.300 0.027 0.000 3.114 57 W HA 0.335 5.000 4.660 0.009 0.000 0.279 57 W C -0.086 176.438 176.519 0.008 0.000 1.277 57 W CA -0.825 56.527 57.345 0.011 0.000 1.630 57 W CB 0.017 29.482 29.460 0.009 0.000 1.087 57 W HN -0.282 nan 8.180 nan 0.000 0.637 58 D N 0.984 121.348 120.400 -0.061 0.000 2.377 58 D HA 0.004 4.652 4.640 0.013 0.000 0.245 58 D C 1.205 177.538 176.300 0.055 0.000 1.196 58 D CA 0.569 54.588 54.000 0.030 0.000 0.962 58 D CB 1.602 42.370 40.800 -0.054 0.000 1.127 58 D HN -0.206 nan 8.370 nan 0.000 0.471 59 T N 0.701 115.297 114.554 0.069 0.000 2.746 59 T HA -0.142 4.215 4.350 0.013 0.000 0.267 59 T C 1.481 176.258 174.700 0.129 0.000 1.039 59 T CA 1.001 63.151 62.100 0.082 0.000 1.142 59 T CB -0.078 68.847 68.868 0.096 0.000 0.866 59 T HN 0.276 nan 8.240 nan 0.000 0.444 60 N N 1.202 120.030 118.700 0.214 0.000 1.997 60 N HA -0.074 4.674 4.740 0.013 0.000 0.198 60 N C 1.892 177.490 175.510 0.147 0.000 1.063 60 N CA 1.401 54.604 53.050 0.254 0.000 0.860 60 N CB -0.290 38.357 38.487 0.266 0.000 1.063 60 N HN 0.399 nan 8.380 nan 0.000 0.424 61 K N 0.339 120.765 120.400 0.042 0.000 2.097 61 K HA -0.042 4.285 4.320 0.013 0.000 0.206 61 K C 2.041 178.609 176.600 -0.053 0.000 1.049 61 K CA 0.686 56.968 56.287 -0.007 0.000 0.933 61 K CB -0.180 32.298 32.500 -0.037 0.000 0.717 61 K HN -0.005 nan 8.250 nan 0.000 0.442 62 V N 1.916 121.792 119.914 -0.064 0.000 2.223 62 V HA -0.270 3.857 4.120 0.013 0.000 0.244 62 V C 1.456 177.360 176.094 -0.315 0.000 1.045 62 V CA 2.168 64.386 62.300 -0.136 0.000 1.000 62 V CB -0.526 31.254 31.823 -0.072 0.000 0.635 62 V HN 0.283 nan 8.190 nan 0.000 0.445 63 D N -1.178 119.063 120.400 -0.265 0.000 2.190 63 D HA -0.180 4.467 4.640 0.013 0.000 0.200 63 D C 2.038 177.908 176.300 -0.716 0.000 0.992 63 D CA 1.212 54.951 54.000 -0.435 0.000 0.854 63 D CB -0.186 40.460 40.800 -0.258 0.000 0.936 63 D HN 0.504 nan 8.370 nan 0.000 0.462 64 H N -0.787 118.047 119.070 -0.395 0.000 2.547 64 H HA 0.055 4.619 4.556 0.012 0.000 0.266 64 H C 0.041 175.185 175.328 -0.307 0.000 0.988 64 H CA 0.778 56.653 56.048 -0.289 0.000 1.147 64 H CB 0.102 29.775 29.762 -0.149 0.000 1.365 64 H HN 0.349 nan 8.280 nan 0.000 0.589 65 H N -0.564 118.339 119.070 -0.279 0.000 2.839 65 H HA -0.144 4.419 4.556 0.012 0.000 0.298 65 H C 0.754 176.029 175.328 -0.088 0.000 1.224 65 H CA 1.057 56.907 56.048 -0.330 0.000 1.144 65 H CB -2.087 27.150 29.762 -0.875 0.000 1.372 65 H HN 0.395 nan 8.280 nan 0.000 0.408 66 T N -3.395 111.194 114.554 0.059 0.000 3.252 66 T HA 0.056 4.413 4.350 0.013 0.000 0.286 66 T C 1.081 175.876 174.700 0.158 0.000 1.013 66 T CA 0.089 62.313 62.100 0.206 0.000 0.914 66 T CB 0.305 69.227 68.868 0.091 0.000 1.131 66 T HN 0.487 nan 8.240 nan 0.000 0.529 67 D N 0.934 121.342 120.400 0.014 0.000 2.349 67 D HA -0.004 4.644 4.640 0.013 0.000 0.224 67 D C 1.413 177.677 176.300 -0.059 0.000 1.029 67 D CA -0.054 53.936 54.000 -0.016 0.000 0.879 67 D CB 0.185 40.961 40.800 -0.039 0.000 0.906 67 D HN 0.308 nan 8.370 nan 0.000 0.528 68 K N 0.053 120.323 120.400 -0.216 0.000 2.323 68 K HA 0.008 4.336 4.320 0.013 0.000 0.197 68 K C 0.114 176.608 176.600 -0.176 0.000 1.043 68 K CA -0.060 55.965 56.287 -0.437 0.000 0.997 68 K CB 0.012 31.684 32.500 -1.380 0.000 0.807 68 K HN 0.214 nan 8.250 nan 0.000 0.497 69 Y N 2.703 122.992 120.300 -0.019 0.000 2.544 69 Y HA -0.040 4.517 4.550 0.011 0.000 0.330 69 Y C 0.740 176.684 175.900 0.074 0.000 1.136 69 Y CA -0.008 58.178 58.100 0.142 0.000 1.417 69 Y CB 0.291 38.803 38.460 0.086 0.000 1.229 69 Y HN -0.129 nan 8.280 nan 0.000 0.532 70 E N 4.258 124.590 120.200 0.220 0.000 1.791 70 E HA 0.045 4.403 4.350 0.013 0.000 0.263 70 E C -0.523 176.134 176.600 0.094 0.000 1.213 70 E CA 0.004 56.471 56.400 0.112 0.000 0.991 70 E CB -0.314 29.412 29.700 0.044 0.000 1.068 70 E HN 0.534 nan 8.360 nan 0.000 0.417 71 N N 2.192 120.944 118.700 0.087 0.000 2.431 71 N HA 0.024 4.772 4.740 0.013 0.000 0.275 71 N C 0.182 175.718 175.510 0.044 0.000 1.091 71 N CA -0.214 52.872 53.050 0.060 0.000 0.922 71 N CB 1.158 39.661 38.487 0.026 0.000 1.666 71 N HN 0.267 nan 8.380 nan 0.000 0.484 72 N N 1.362 120.086 118.700 0.039 0.000 2.373 72 N HA -0.016 4.731 4.740 0.013 0.000 0.181 72 N C -0.321 175.194 175.510 0.007 0.000 1.082 72 N CA 0.156 53.212 53.050 0.010 0.000 0.885 72 N CB 0.537 39.023 38.487 -0.001 0.000 0.977 72 N HN 0.292 nan 8.380 nan 0.000 0.462 73 K N 1.206 121.641 120.400 0.059 0.000 2.138 73 K HA 0.147 4.475 4.320 0.013 0.000 0.251 73 K C 0.074 176.697 176.600 0.039 0.000 1.015 73 K CA -0.796 55.520 56.287 0.048 0.000 0.917 73 K CB 1.222 33.776 32.500 0.090 0.000 1.021 73 K HN 0.056 nan 8.250 nan 0.000 0.485 74 L N 1.544 122.757 121.223 -0.016 0.000 2.456 74 L HA 0.206 4.553 4.340 0.013 0.000 0.272 74 L C -0.425 176.413 176.870 -0.053 0.000 1.189 74 L CA 0.615 55.416 54.840 -0.066 0.000 0.846 74 L CB 0.122 42.115 42.059 -0.111 0.000 1.111 74 L HN 0.434 nan 8.230 nan 0.000 0.475 75 I N 5.958 126.447 120.570 -0.135 0.000 2.500 75 I HA 0.397 4.575 4.170 0.013 0.000 0.286 75 I C -1.014 174.914 176.117 -0.315 0.000 1.063 75 I CA -0.725 60.468 61.300 -0.179 0.000 1.062 75 I CB 1.822 39.675 38.000 -0.245 0.000 1.223 75 I HN 0.459 nan 8.210 nan 0.000 0.435 76 V N 2.856 122.504 119.914 -0.444 0.000 2.823 76 V HA 0.628 4.755 4.120 0.013 0.000 0.312 76 V C -0.322 175.526 176.094 -0.411 0.000 1.072 76 V CA -1.024 60.853 62.300 -0.705 0.000 0.937 76 V CB 1.948 33.045 31.823 -1.210 0.000 1.013 76 V HN 0.623 nan 8.190 nan 0.000 0.430 77 R N 2.481 122.862 120.500 -0.199 0.000 2.254 77 R HA 0.457 4.805 4.340 0.013 0.000 0.318 77 R C 0.328 176.621 176.300 -0.012 0.000 1.031 77 R CA -0.720 55.401 56.100 0.034 0.000 0.905 77 R CB 1.294 31.753 30.300 0.265 0.000 1.050 77 R HN 0.958 nan 8.270 nan 0.000 0.456 78 R N 0.976 121.422 120.500 -0.091 0.000 2.758 78 R HA 0.056 4.404 4.340 0.013 0.000 0.263 78 R C 0.495 176.747 176.300 -0.081 0.000 1.010 78 R CA 0.649 56.655 56.100 -0.157 0.000 1.114 78 R CB 0.070 30.263 30.300 -0.177 0.000 0.985 78 R HN 0.809 nan 8.270 nan 0.000 0.439 79 G N 0.243 108.937 108.800 -0.176 0.000 2.160 79 G HA2 -0.332 3.636 3.960 0.013 0.000 0.251 79 G HA3 -0.332 3.636 3.960 0.013 0.000 0.251 79 G C -0.196 174.666 174.900 -0.064 0.000 1.008 79 G CA 0.642 45.663 45.100 -0.133 0.000 0.724 79 G HN 0.750 nan 8.290 nan 0.000 0.514 80 Q N -0.141 119.652 119.800 -0.012 0.000 2.379 80 Q HA 0.584 4.932 4.340 0.013 0.000 0.278 80 Q C 0.225 176.310 176.000 0.143 0.000 1.068 80 Q CA -0.144 55.700 55.803 0.069 0.000 0.816 80 Q CB 1.754 30.584 28.738 0.153 0.000 1.387 80 Q HN 0.582 nan 8.270 nan 0.000 0.413 81 S N 1.790 117.515 115.700 0.042 0.000 2.580 81 S HA 0.674 5.152 4.470 0.013 0.000 0.274 81 S C -0.382 174.329 174.600 0.186 0.000 1.329 81 S CA -0.489 57.713 58.200 0.003 0.000 1.036 81 S CB 0.289 63.388 63.200 -0.169 0.000 0.919 81 S HN 0.446 nan 8.310 nan 0.000 0.515 82 F N -1.474 118.403 119.950 -0.121 0.000 2.643 82 F HA 0.785 5.321 4.527 0.014 0.000 0.314 82 F C -1.577 174.090 175.800 -0.223 0.000 1.096 82 F CA -1.934 56.013 58.000 -0.088 0.000 0.953 82 F CB 0.556 39.543 39.000 -0.023 0.000 1.345 82 F HN 0.478 nan 8.300 nan 0.000 0.468 83 Y N 1.040 121.499 120.300 0.265 0.000 2.419 83 Y HA 0.731 5.289 4.550 0.012 0.000 0.328 83 Y C 0.157 176.131 175.900 0.123 0.000 1.162 83 Y CA -0.876 57.342 58.100 0.196 0.000 1.174 83 Y CB 1.956 40.686 38.460 0.449 0.000 1.228 83 Y HN 0.695 nan 8.280 nan 0.000 0.473 84 V N -0.452 119.568 119.914 0.177 0.000 3.178 84 V HA 0.624 4.752 4.120 0.013 0.000 0.302 84 V C -1.480 174.607 176.094 -0.011 0.000 1.262 84 V CA -1.014 61.249 62.300 -0.062 0.000 1.030 84 V CB 1.988 33.804 31.823 -0.013 0.000 1.074 84 V HN 0.777 nan 8.190 nan 0.000 0.438 85 Q N 1.370 121.107 119.800 -0.104 0.000 2.263 85 Q HA 0.729 5.077 4.340 0.013 0.000 0.266 85 Q C -2.089 173.854 176.000 -0.096 0.000 1.002 85 Q CA -0.629 55.165 55.803 -0.015 0.000 0.790 85 Q CB 2.190 30.983 28.738 0.091 0.000 1.272 85 Q HN 0.828 nan 8.270 nan 0.000 0.435 86 I N 2.589 123.044 120.570 -0.193 0.000 2.460 86 I HA 0.363 4.541 4.170 0.013 0.000 0.298 86 I C -0.732 175.046 176.117 -0.565 0.000 0.989 86 I CA -0.376 60.653 61.300 -0.452 0.000 1.173 86 I CB 1.682 39.239 38.000 -0.739 0.000 1.338 86 I HN 0.452 nan 8.210 nan 0.000 0.456 87 D N 5.353 125.423 120.400 -0.551 0.000 2.408 87 D HA 0.481 5.129 4.640 0.013 0.000 0.243 87 D C -0.833 175.170 176.300 -0.494 0.000 1.075 87 D CA -0.083 53.688 54.000 -0.382 0.000 0.832 87 D CB 1.098 41.820 40.800 -0.130 0.000 1.162 87 D HN 0.053 nan 8.370 nan 0.000 0.515 88 F N 0.221 120.120 119.950 -0.084 0.000 2.440 88 F HA 0.208 4.743 4.527 0.014 0.000 0.328 88 F C 2.037 177.790 175.800 -0.078 0.000 1.070 88 F CA -0.897 57.038 58.000 -0.108 0.000 1.011 88 F CB 1.191 40.114 39.000 -0.127 0.000 1.226 88 F HN 0.214 nan 8.300 nan 0.000 0.491 89 S N 0.364 116.130 115.700 0.110 0.000 2.442 89 S HA -0.079 4.398 4.470 0.013 0.000 0.236 89 S C 0.418 175.039 174.600 0.036 0.000 1.007 89 S CA 0.587 58.796 58.200 0.016 0.000 0.965 89 S CB -0.601 62.551 63.200 -0.080 0.000 0.773 89 S HN 0.724 nan 8.310 nan 0.000 0.504 90 R N -0.095 120.446 120.500 0.068 0.000 2.710 90 R HA 0.533 4.881 4.340 0.013 0.000 0.270 90 R C -3.592 172.771 176.300 0.105 0.000 1.021 90 R CA -2.280 53.867 56.100 0.077 0.000 0.889 90 R CB 0.241 30.589 30.300 0.079 0.000 1.243 90 R HN -0.106 nan 8.270 nan 0.000 0.464 91 P HA -0.111 nan 4.420 nan 0.000 0.264 91 P C -1.041 176.308 177.300 0.082 0.000 1.193 91 P CA 0.145 63.316 63.100 0.119 0.000 0.763 91 P CB 0.191 31.943 31.700 0.086 0.000 0.810 92 Y N 3.112 123.395 120.300 -0.028 0.000 2.526 92 Y HA 0.160 4.718 4.550 0.013 0.000 0.330 92 Y C -0.114 175.772 175.900 -0.022 0.000 1.156 92 Y CA 0.017 58.032 58.100 -0.140 0.000 1.419 92 Y CB 0.198 38.574 38.460 -0.140 0.000 1.250 92 Y HN 0.264 nan 8.280 nan 0.000 0.540 93 D N 8.409 128.469 120.400 -0.567 0.000 2.471 93 D HA 0.308 4.956 4.640 0.013 0.000 0.245 93 D C -2.283 173.595 176.300 -0.704 0.000 1.116 93 D CA -2.671 51.030 54.000 -0.500 0.000 0.853 93 D CB 1.831 42.505 40.800 -0.209 0.000 1.123 93 D HN 0.370 nan 8.370 nan 0.000 0.540 94 P HA -0.070 nan 4.420 nan 0.000 0.242 94 P C 0.951 178.148 177.300 -0.173 0.000 1.198 94 P CA 0.353 63.208 63.100 -0.408 0.000 0.756 94 P CB 0.371 31.957 31.700 -0.189 0.000 0.911 95 R N 1.986 122.388 120.500 -0.163 0.000 2.048 95 R HA -0.023 4.325 4.340 0.013 0.000 0.224 95 R C 1.136 177.402 176.300 -0.056 0.000 1.163 95 R CA 1.159 57.209 56.100 -0.084 0.000 0.956 95 R CB 0.042 30.299 30.300 -0.072 0.000 0.849 95 R HN 0.024 nan 8.270 nan 0.000 0.435 96 R N 0.318 120.784 120.500 -0.056 0.000 2.652 96 R HA 0.414 4.762 4.340 0.013 0.000 0.372 96 R C -1.139 175.171 176.300 0.016 0.000 1.104 96 R CA -0.374 55.716 56.100 -0.016 0.000 1.072 96 R CB 0.023 30.316 30.300 -0.013 0.000 1.367 96 R HN 0.084 nan 8.270 nan 0.000 0.577 97 D N 0.781 121.190 120.400 0.016 0.000 2.375 97 D HA 0.363 5.011 4.640 0.013 0.000 0.247 97 D C -1.183 175.285 176.300 0.279 0.000 1.061 97 D CA -0.565 53.513 54.000 0.131 0.000 0.834 97 D CB 2.419 43.287 40.800 0.113 0.000 1.247 97 D HN -0.016 nan 8.370 nan 0.000 0.489 98 L N 4.080 125.493 121.223 0.316 0.000 2.438 98 L HA 0.634 4.982 4.340 0.013 0.000 0.270 98 L C -1.733 175.444 176.870 0.512 0.000 0.972 98 L CA -0.643 54.393 54.840 0.327 0.000 0.831 98 L CB 1.320 43.520 42.059 0.234 0.000 1.273 98 L HN 0.352 nan 8.230 nan 0.000 0.405 99 F N 3.393 123.500 119.950 0.262 0.000 2.713 99 F HA 0.896 5.431 4.527 0.012 0.000 0.311 99 F C -1.589 174.374 175.800 0.272 0.000 1.141 99 F CA -0.891 57.321 58.000 0.353 0.000 0.939 99 F CB 1.478 40.575 39.000 0.162 0.000 1.325 99 F HN 0.618 nan 8.300 nan 0.000 0.453 100 R N 1.282 121.987 120.500 0.342 0.000 2.663 100 R HA 0.734 5.082 4.340 0.013 0.000 0.267 100 R C -2.284 174.154 176.300 0.230 0.000 1.038 100 R CA -1.181 54.963 56.100 0.074 0.000 0.886 100 R CB 1.730 32.026 30.300 -0.006 0.000 1.249 100 R HN 0.584 nan 8.270 nan 0.000 0.463 101 V N 1.539 121.496 119.914 0.072 0.000 2.498 101 V HA 0.258 4.386 4.120 0.013 0.000 0.279 101 V C 0.086 176.097 176.094 -0.138 0.000 1.048 101 V CA -0.333 61.957 62.300 -0.016 0.000 0.967 101 V CB 1.065 32.844 31.823 -0.074 0.000 0.988 101 V HN 0.706 nan 8.190 nan 0.000 0.473 102 E N 3.290 123.378 120.200 -0.187 0.000 2.183 102 E HA 0.527 4.885 4.350 0.013 0.000 0.271 102 E C -1.735 174.642 176.600 -0.372 0.000 0.919 102 E CA -0.615 55.627 56.400 -0.263 0.000 0.781 102 E CB 2.051 31.675 29.700 -0.126 0.000 1.140 102 E HN 0.631 nan 8.360 nan 0.000 0.402 103 Y N 1.228 121.364 120.300 -0.273 0.000 2.328 103 Y HA 0.370 4.928 4.550 0.012 0.000 0.336 103 Y C -0.166 175.703 175.900 -0.052 0.000 0.960 103 Y CA -0.870 57.152 58.100 -0.129 0.000 1.134 103 Y CB 1.644 39.922 38.460 -0.303 0.000 1.166 103 Y HN 0.299 nan 8.280 nan 0.000 0.464 104 V N 3.611 123.690 119.914 0.275 0.000 2.823 104 V HA 0.758 4.886 4.120 0.013 0.000 0.312 104 V C -1.283 174.921 176.094 0.182 0.000 1.072 104 V CA -0.923 61.507 62.300 0.216 0.000 0.937 104 V CB 2.213 34.153 31.823 0.195 0.000 1.013 104 V HN 0.745 nan 8.190 nan 0.000 0.430 105 I N 3.424 124.030 120.570 0.060 0.000 2.619 105 I HA 0.816 4.994 4.170 0.013 0.000 0.292 105 I C 0.321 176.397 176.117 -0.067 0.000 1.100 105 I CA 0.712 61.937 61.300 -0.125 0.000 1.043 105 I CB 1.563 39.269 38.000 -0.489 0.000 1.239 105 I HN 1.593 nan 8.210 nan 0.000 0.420 106 G N 5.973 114.726 108.800 -0.078 0.000 2.728 106 G HA2 -0.234 3.734 3.960 0.013 0.000 0.294 106 G HA3 -0.234 3.734 3.960 0.013 0.000 0.294 106 G C 0.027 174.873 174.900 -0.090 0.000 1.342 106 G CA 0.190 45.255 45.100 -0.059 0.000 0.866 106 G HN 0.851 nan 8.290 nan 0.000 0.534 107 R N -1.180 119.211 120.500 -0.181 0.000 2.189 107 R HA 0.190 4.538 4.340 0.013 0.000 0.203 107 R C 0.195 176.152 176.300 -0.572 0.000 1.012 107 R CA 0.786 56.633 56.100 -0.422 0.000 1.015 107 R CB 0.069 29.961 30.300 -0.680 0.000 0.938 107 R HN 0.521 nan 8.270 nan 0.000 0.472 108 Y N 1.075 121.385 120.300 0.018 0.000 2.836 108 Y HA 0.424 4.982 4.550 0.013 0.000 0.359 108 Y C -2.342 173.575 175.900 0.029 0.000 1.060 108 Y CA -3.210 54.901 58.100 0.017 0.000 1.161 108 Y CB 0.729 39.195 38.460 0.011 0.000 1.225 108 Y HN 0.010 nan 8.280 nan 0.000 0.621 109 P HA 0.181 nan 4.420 nan 0.000 0.271 109 P C -0.626 176.745 177.300 0.118 0.000 1.218 109 P CA -0.145 63.042 63.100 0.145 0.000 0.780 109 P CB 0.797 32.615 31.700 0.197 0.000 0.901 110 Q N 0.656 120.537 119.800 0.135 0.000 2.296 110 Q HA 0.063 4.411 4.340 0.013 0.000 0.254 110 Q C 0.449 176.527 176.000 0.130 0.000 0.936 110 Q CA -0.355 55.491 55.803 0.072 0.000 0.834 110 Q CB 1.775 30.547 28.738 0.057 0.000 1.340 110 Q HN 0.493 nan 8.270 nan 0.000 0.428 111 E N 2.553 122.820 120.200 0.111 0.000 2.160 111 E HA -0.304 4.054 4.350 0.013 0.000 0.195 111 E C 1.231 177.904 176.600 0.121 0.000 0.991 111 E CA 1.382 57.911 56.400 0.216 0.000 0.810 111 E CB 0.304 30.112 29.700 0.180 0.000 0.742 111 E HN 0.510 nan 8.360 nan 0.000 0.466 112 N N 0.757 119.500 118.700 0.071 0.000 2.104 112 N HA -0.147 4.601 4.740 0.013 0.000 0.190 112 N C 1.055 176.607 175.510 0.070 0.000 1.024 112 N CA 1.198 54.281 53.050 0.056 0.000 0.853 112 N CB 0.052 38.560 38.487 0.035 0.000 1.008 112 N HN 0.068 nan 8.380 nan 0.000 0.424 113 K N -0.425 120.024 120.400 0.082 0.000 2.404 113 K HA 0.216 4.544 4.320 0.013 0.000 0.194 113 K C 0.977 177.642 176.600 0.109 0.000 1.023 113 K CA 0.523 56.862 56.287 0.086 0.000 1.094 113 K CB -0.141 32.407 32.500 0.081 0.000 0.841 113 K HN 0.323 nan 8.250 nan 0.000 0.523 114 G N 1.646 110.521 108.800 0.125 0.000 2.184 114 G HA2 -0.323 3.645 3.960 0.013 0.000 0.264 114 G HA3 -0.323 3.645 3.960 0.013 0.000 0.264 114 G C 0.865 175.874 174.900 0.180 0.000 0.975 114 G CA 1.081 46.269 45.100 0.146 0.000 0.642 114 G HN 0.380 nan 8.290 nan 0.000 0.536 115 T N -3.232 111.426 114.554 0.172 0.000 3.122 115 T HA 0.465 4.822 4.350 0.013 0.000 0.250 115 T C 0.238 175.072 174.700 0.224 0.000 1.067 115 T CA 0.703 62.908 62.100 0.175 0.000 0.966 115 T CB 0.329 69.265 68.868 0.114 0.000 1.002 115 T HN 0.982 nan 8.240 nan 0.000 0.542 116 Y N 1.101 121.449 120.300 0.080 0.000 2.333 116 Y HA 0.593 5.151 4.550 0.013 0.000 0.324 116 Y C -1.919 173.965 175.900 -0.026 0.000 1.033 116 Y CA -2.189 55.941 58.100 0.049 0.000 1.224 116 Y CB 0.843 39.323 38.460 0.034 0.000 1.120 116 Y HN 0.029 nan 8.280 nan 0.000 0.457 117 I N 9.544 129.812 120.570 -0.503 0.000 2.390 117 I HA 0.390 4.568 4.170 0.013 0.000 0.283 117 I C -2.540 173.189 176.117 -0.646 0.000 1.016 117 I CA -2.211 58.724 61.300 -0.607 0.000 1.151 117 I CB 1.587 38.960 38.000 -1.046 0.000 1.293 117 I HN 0.382 nan 8.210 nan 0.000 0.458 118 P HA 0.219 nan 4.420 nan 0.000 0.291 118 P C -0.580 176.619 177.300 -0.168 0.000 1.378 118 P CA -0.410 62.554 63.100 -0.227 0.000 0.853 118 P CB 1.189 32.913 31.700 0.038 0.000 1.002 119 V N 6.839 126.669 119.914 -0.140 0.000 2.405 119 V HA 0.212 4.340 4.120 0.013 0.000 0.264 119 V C -1.544 174.506 176.094 -0.073 0.000 1.048 119 V CA -1.539 60.740 62.300 -0.034 0.000 0.966 119 V CB 0.576 32.460 31.823 0.102 0.000 1.015 119 V HN 0.512 nan 8.190 nan 0.000 0.477 120 P HA 0.404 nan 4.420 nan 0.000 0.284 120 P C -0.653 176.554 177.300 -0.154 0.000 1.258 120 P CA -0.644 62.359 63.100 -0.162 0.000 0.824 120 P CB 1.632 33.243 31.700 -0.148 0.000 1.038 121 I N 2.358 122.790 120.570 -0.230 0.000 2.496 121 I HA 0.116 4.293 4.170 0.013 0.000 0.285 121 I C 0.819 176.878 176.117 -0.097 0.000 1.080 121 I CA -0.212 60.978 61.300 -0.184 0.000 1.404 121 I CB 0.519 38.374 38.000 -0.243 0.000 1.403 121 I HN 0.184 nan 8.210 nan 0.000 0.539 122 V N 2.859 122.739 119.914 -0.057 0.000 2.914 122 V HA 0.528 4.656 4.120 0.013 0.000 0.314 122 V C 0.687 176.774 176.094 -0.012 0.000 1.084 122 V CA -0.623 61.657 62.300 -0.032 0.000 0.963 122 V CB 1.605 33.413 31.823 -0.025 0.000 1.025 122 V HN 0.703 nan 8.190 nan 0.000 0.432 123 S N 1.172 116.870 115.700 -0.004 0.000 2.368 123 S HA 0.029 4.507 4.470 0.013 0.000 0.224 123 S C 0.537 175.140 174.600 0.006 0.000 1.029 123 S CA 1.515 59.720 58.200 0.009 0.000 0.988 123 S CB -0.205 63.000 63.200 0.009 0.000 0.838 123 S HN 0.920 nan 8.310 nan 0.000 0.462 124 E N -0.571 119.627 120.200 -0.003 0.000 2.393 124 E HA 0.573 4.931 4.350 0.013 0.000 0.273 124 E C -1.602 174.989 176.600 -0.015 0.000 0.918 124 E CA -0.528 55.868 56.400 -0.006 0.000 0.773 124 E CB 1.130 30.827 29.700 -0.005 0.000 1.275 124 E HN 0.056 nan 8.360 nan 0.000 0.451 125 L N 3.319 124.529 121.223 -0.021 0.000 2.264 125 L HA 0.413 4.761 4.340 0.013 0.000 0.289 125 L C -0.086 176.768 176.870 -0.028 0.000 1.044 125 L CA -0.792 54.030 54.840 -0.030 0.000 0.807 125 L CB 1.119 43.149 42.059 -0.048 0.000 1.192 125 L HN 0.449 nan 8.230 nan 0.000 0.425 126 Q N 1.331 121.118 119.800 -0.023 0.000 2.312 126 Q HA 0.315 4.663 4.340 0.013 0.000 0.236 126 Q C -0.311 175.671 176.000 -0.031 0.000 0.965 126 Q CA -0.316 55.475 55.803 -0.021 0.000 0.894 126 Q CB 1.083 29.814 28.738 -0.011 0.000 1.225 126 Q HN 0.519 nan 8.270 nan 0.000 0.478 127 S N 0.795 116.477 115.700 -0.031 0.000 2.505 127 S HA 0.460 4.938 4.470 0.013 0.000 0.276 127 S C 0.887 175.465 174.600 -0.037 0.000 1.274 127 S CA 0.098 58.274 58.200 -0.040 0.000 1.053 127 S CB 0.449 63.627 63.200 -0.038 0.000 0.919 127 S HN 0.912 nan 8.310 nan 0.000 0.490 128 G N 2.782 111.550 108.800 -0.052 0.000 2.143 128 G HA2 -0.223 3.744 3.960 0.013 0.000 0.249 128 G HA3 -0.223 3.744 3.960 0.013 0.000 0.249 128 G C -0.278 174.608 174.900 -0.024 0.000 0.981 128 G CA -0.046 45.028 45.100 -0.044 0.000 0.665 128 G HN 0.615 nan 8.290 nan 0.000 0.528 129 K N -1.199 119.187 120.400 -0.024 0.000 2.385 129 K HA 0.524 4.852 4.320 0.013 0.000 0.248 129 K C -0.593 176.036 176.600 0.048 0.000 0.955 129 K CA -1.148 55.164 56.287 0.042 0.000 0.816 129 K CB 1.656 34.186 32.500 0.050 0.000 1.250 129 K HN 0.056 nan 8.250 nan 0.000 0.434 130 W N 0.714 121.997 121.300 -0.028 0.000 2.150 130 W HA 0.393 5.060 4.660 0.012 0.000 0.341 130 W C 0.738 177.232 176.519 -0.042 0.000 1.276 130 W CA 1.250 58.574 57.345 -0.034 0.000 1.238 130 W CB 1.268 30.712 29.460 -0.026 0.000 1.128 130 W HN 0.784 nan 8.180 nan 0.000 0.581 131 G N 0.181 109.127 108.800 0.243 0.000 2.402 131 G HA2 0.518 4.485 3.960 0.013 0.000 0.301 131 G HA3 0.518 4.485 3.960 0.013 0.000 0.301 131 G C -2.246 172.673 174.900 0.032 0.000 1.615 131 G CA -0.502 44.657 45.100 0.099 0.000 0.889 131 G HN 0.777 nan 8.290 nan 0.000 0.647 132 A N 1.239 124.053 122.820 -0.009 0.000 2.311 132 A HA 0.801 5.129 4.320 0.013 0.000 0.306 132 A C -0.095 177.461 177.584 -0.046 0.000 1.189 132 A CA -0.630 51.377 52.037 -0.049 0.000 0.791 132 A CB 1.375 20.348 19.000 -0.046 0.000 1.172 132 A HN 0.775 nan 8.150 nan 0.000 0.481 133 K N 3.543 123.919 120.400 -0.040 0.000 2.201 133 K HA 0.497 4.825 4.320 0.013 0.000 0.278 133 K C -0.736 175.878 176.600 0.025 0.000 1.027 133 K CA -0.459 55.823 56.287 -0.008 0.000 0.909 133 K CB 0.540 33.036 32.500 -0.008 0.000 1.062 133 K HN 0.703 nan 8.250 nan 0.000 0.465 134 I N 5.313 125.914 120.570 0.051 0.000 2.436 134 I HA -0.063 4.114 4.170 0.013 0.000 0.289 134 I C 0.981 177.158 176.117 0.101 0.000 1.083 134 I CA -0.052 61.305 61.300 0.095 0.000 1.372 134 I CB 1.304 39.384 38.000 0.133 0.000 1.408 134 I HN 0.549 nan 8.210 nan 0.000 0.516 135 V N 8.120 128.105 119.914 0.119 0.000 3.590 135 V HA 0.262 4.389 4.120 0.013 0.000 0.265 135 V C 0.325 176.485 176.094 0.110 0.000 1.239 135 V CA 0.630 63.004 62.300 0.124 0.000 1.117 135 V CB 0.111 32.047 31.823 0.187 0.000 0.818 135 V HN 0.792 nan 8.190 nan 0.000 0.451 136 M N 0.745 120.415 119.600 0.116 0.000 2.751 136 M HA 0.343 4.830 4.480 0.013 0.000 0.276 136 M C -2.181 174.191 176.300 0.121 0.000 1.002 136 M CA -0.475 54.886 55.300 0.100 0.000 0.828 136 M CB 1.503 34.146 32.600 0.072 0.000 1.752 136 M HN 0.179 nan 8.290 nan 0.000 0.556 137 R N 2.247 122.818 120.500 0.120 0.000 2.604 137 R HA 0.823 5.170 4.340 0.013 0.000 0.281 137 R C -1.386 174.980 176.300 0.110 0.000 1.020 137 R CA -0.958 55.228 56.100 0.144 0.000 0.899 137 R CB 2.666 33.092 30.300 0.210 0.000 1.205 137 R HN 0.743 nan 8.270 nan 0.000 0.450 138 E N 0.385 120.647 120.200 0.104 0.000 2.419 138 E HA 0.095 4.453 4.350 0.013 0.000 0.222 138 E C -1.231 175.417 176.600 0.081 0.000 0.826 138 E CA -1.088 55.358 56.400 0.076 0.000 0.903 138 E CB 0.735 30.466 29.700 0.052 0.000 1.838 138 E HN 0.534 nan 8.360 nan 0.000 0.403 139 D N 2.064 122.500 120.400 0.060 0.000 2.422 139 D HA -0.098 4.550 4.640 0.013 0.000 0.283 139 D C 0.009 176.352 176.300 0.072 0.000 1.428 139 D CA 0.804 54.839 54.000 0.058 0.000 1.117 139 D CB -0.500 40.324 40.800 0.040 0.000 1.120 139 D HN 0.578 nan 8.370 nan 0.000 0.543 140 R N 0.772 121.333 120.500 0.102 0.000 3.525 140 R HA -0.185 4.163 4.340 0.013 0.000 0.276 140 R C -1.224 175.160 176.300 0.139 0.000 1.116 140 R CA 0.738 56.922 56.100 0.139 0.000 0.745 140 R CB -2.863 27.503 30.300 0.110 0.000 1.185 140 R HN 0.218 nan 8.270 nan 0.000 0.454 141 S N -0.310 115.471 115.700 0.136 0.000 2.572 141 S HA 0.569 5.047 4.470 0.013 0.000 0.274 141 S C -0.513 174.157 174.600 0.117 0.000 1.150 141 S CA -0.440 57.803 58.200 0.072 0.000 0.944 141 S CB 2.647 65.867 63.200 0.033 0.000 1.071 141 S HN 0.263 nan 8.310 nan 0.000 0.479 142 V N 2.616 122.581 119.914 0.085 0.000 2.513 142 V HA 0.610 4.738 4.120 0.013 0.000 0.299 142 V C -0.035 176.118 176.094 0.098 0.000 1.035 142 V CA -0.905 61.476 62.300 0.134 0.000 0.889 142 V CB 1.567 33.496 31.823 0.177 0.000 0.988 142 V HN 0.798 nan 8.190 nan 0.000 0.440 143 R N 4.029 124.607 120.500 0.130 0.000 2.246 143 R HA 0.656 5.004 4.340 0.013 0.000 0.332 143 R C -1.227 175.178 176.300 0.175 0.000 0.974 143 R CA -0.268 55.927 56.100 0.158 0.000 0.837 143 R CB 0.638 31.030 30.300 0.154 0.000 1.145 143 R HN 0.769 nan 8.270 nan 0.000 0.467 144 L N 2.061 123.383 121.223 0.165 0.000 2.360 144 L HA 0.485 4.832 4.340 0.013 0.000 0.271 144 L C 0.015 176.945 176.870 0.100 0.000 1.057 144 L CA -0.751 54.156 54.840 0.111 0.000 0.803 144 L CB 1.988 44.079 42.059 0.053 0.000 1.207 144 L HN 0.613 nan 8.230 nan 0.000 0.445 145 S N 2.935 118.615 115.700 -0.033 0.000 2.653 145 S HA 0.531 5.009 4.470 0.013 0.000 0.272 145 S C -0.593 173.830 174.600 -0.296 0.000 1.221 145 S CA -0.640 57.420 58.200 -0.232 0.000 1.149 145 S CB 0.027 63.127 63.200 -0.166 0.000 1.029 145 S HN 0.403 nan 8.310 nan 0.000 0.481 146 I N 3.645 123.901 120.570 -0.523 0.000 2.532 146 I HA 0.428 4.605 4.170 0.013 0.000 0.292 146 I C 0.378 176.214 176.117 -0.467 0.000 1.014 146 I CA -0.495 60.485 61.300 -0.533 0.000 1.340 146 I CB 1.487 38.976 38.000 -0.853 0.000 1.422 146 I HN 0.578 nan 8.210 nan 0.000 0.528 147 Q N 3.516 123.158 119.800 -0.264 0.000 2.451 147 Q HA 0.560 4.908 4.340 0.013 0.000 0.281 147 Q C -1.357 174.326 176.000 -0.528 0.000 1.099 147 Q CA -0.672 54.971 55.803 -0.267 0.000 0.806 147 Q CB 2.518 31.141 28.738 -0.192 0.000 1.419 147 Q HN 0.831 nan 8.270 nan 0.000 0.427 148 S N 0.338 115.579 115.700 -0.765 0.000 2.634 148 S HA 0.522 5.000 4.470 0.013 0.000 0.296 148 S C -0.511 173.549 174.600 -0.900 0.000 1.104 148 S CA -0.817 56.429 58.200 -1.591 0.000 0.920 148 S CB 1.742 63.970 63.200 -1.620 0.000 1.111 148 S HN 0.507 nan 8.310 nan 0.000 0.493 149 S N 2.073 117.240 115.700 -0.889 0.000 2.549 149 S HA 0.280 4.758 4.470 0.013 0.000 0.283 149 S C -1.475 173.006 174.600 -0.198 0.000 1.320 149 S CA -1.460 56.573 58.200 -0.278 0.000 1.058 149 S CB 0.293 63.498 63.200 0.007 0.000 0.882 149 S HN 0.641 nan 8.310 nan 0.000 0.498 150 P HA 0.057 nan 4.420 nan 0.000 0.242 150 P C -0.126 177.171 177.300 -0.005 0.000 1.197 150 P CA 0.505 63.569 63.100 -0.059 0.000 0.765 150 P CB 0.124 31.802 31.700 -0.036 0.000 0.936 151 K N -0.603 119.804 120.400 0.011 0.000 2.593 151 K HA 0.138 4.466 4.320 0.013 0.000 0.208 151 K C 0.222 176.863 176.600 0.069 0.000 1.051 151 K CA -0.572 55.749 56.287 0.056 0.000 1.111 151 K CB -0.850 31.692 32.500 0.069 0.000 0.849 151 K HN 0.080 nan 8.250 nan 0.000 0.479 152 C N 1.588 120.906 119.300 0.030 0.000 2.593 152 C HA 0.333 4.800 4.460 0.013 0.000 0.409 152 C C 1.035 176.064 174.990 0.066 0.000 1.304 152 C CA -0.916 58.153 59.018 0.085 0.000 2.007 152 C CB -0.601 27.149 27.740 0.016 0.000 2.614 152 C HN 0.495 nan 8.230 nan 0.000 0.585 153 I N 5.779 126.468 120.570 0.198 0.000 2.826 153 I HA 0.007 4.184 4.170 0.013 0.000 0.295 153 I C 0.331 176.556 176.117 0.180 0.000 1.213 153 I CA 0.488 61.900 61.300 0.188 0.000 1.436 153 I CB 0.415 38.582 38.000 0.278 0.000 1.348 153 I HN 0.375 nan 8.210 nan 0.000 0.570 154 V N 6.519 126.403 119.914 -0.050 0.000 2.465 154 V HA 0.780 4.908 4.120 0.013 0.000 0.279 154 V C 0.609 176.710 176.094 0.012 0.000 1.045 154 V CA 0.318 62.553 62.300 -0.108 0.000 0.938 154 V CB 0.847 32.401 31.823 -0.449 0.000 0.986 154 V HN 1.080 nan 8.190 nan 0.000 0.467 155 G N 4.333 113.186 108.800 0.088 0.000 2.327 155 G HA2 0.279 4.247 3.960 0.013 0.000 0.291 155 G HA3 0.279 4.247 3.960 0.013 0.000 0.291 155 G C -1.341 173.582 174.900 0.039 0.000 1.290 155 G CA -0.807 44.289 45.100 -0.008 0.000 0.857 155 G HN 0.646 nan 8.290 nan 0.000 0.520 156 K N 0.626 120.966 120.400 -0.099 0.000 2.300 156 K HA 0.605 4.933 4.320 0.013 0.000 0.264 156 K C -0.926 175.549 176.600 -0.208 0.000 1.083 156 K CA -0.540 55.627 56.287 -0.200 0.000 0.958 156 K CB -0.031 32.253 32.500 -0.361 0.000 1.318 156 K HN 0.217 nan 8.250 nan 0.000 0.448 157 F N 2.309 122.181 119.950 -0.130 0.000 2.389 157 F HA 0.352 4.887 4.527 0.012 0.000 0.337 157 F C 1.011 176.801 175.800 -0.018 0.000 1.112 157 F CA -0.400 57.583 58.000 -0.029 0.000 1.192 157 F CB 0.899 39.913 39.000 0.024 0.000 1.185 157 F HN 0.328 nan 8.300 nan 0.000 0.552 158 R N 1.938 122.560 120.500 0.203 0.000 2.457 158 R HA 0.554 4.902 4.340 0.013 0.000 0.284 158 R C -0.609 175.702 176.300 0.019 0.000 1.024 158 R CA -0.664 55.456 56.100 0.033 0.000 1.025 158 R CB 1.324 31.643 30.300 0.031 0.000 1.063 158 R HN 0.686 nan 8.270 nan 0.000 0.493 159 M N 2.706 122.146 119.600 -0.267 0.000 2.383 159 M HA 0.424 4.912 4.480 0.013 0.000 0.325 159 M C -1.694 174.235 176.300 -0.619 0.000 1.092 159 M CA -0.460 54.604 55.300 -0.394 0.000 0.961 159 M CB 1.138 33.559 32.600 -0.297 0.000 1.672 159 M HN 0.554 nan 8.290 nan 0.000 0.438 160 Y N 1.957 122.118 120.300 -0.233 0.000 2.669 160 Y HA 0.731 5.289 4.550 0.014 0.000 0.335 160 Y C -0.884 174.937 175.900 -0.132 0.000 1.116 160 Y CA -0.848 57.165 58.100 -0.146 0.000 1.081 160 Y CB 2.191 40.588 38.460 -0.105 0.000 1.297 160 Y HN 0.367 nan 8.280 nan 0.000 0.484 161 V N 1.312 121.294 119.914 0.115 0.000 2.488 161 V HA 0.747 4.875 4.120 0.013 0.000 0.293 161 V C -0.792 175.369 176.094 0.111 0.000 1.027 161 V CA -0.980 61.391 62.300 0.118 0.000 0.862 161 V CB 1.191 33.064 31.823 0.084 0.000 1.008 161 V HN 0.818 nan 8.190 nan 0.000 0.428 162 A N 4.494 127.394 122.820 0.132 0.000 2.288 162 A HA 0.834 5.162 4.320 0.013 0.000 0.320 162 A C -0.559 176.959 177.584 -0.109 0.000 1.217 162 A CA -0.540 51.438 52.037 -0.098 0.000 0.840 162 A CB 1.335 20.196 19.000 -0.232 0.000 1.179 162 A HN 0.705 nan 8.150 nan 0.000 0.504 163 V N 2.943 122.701 119.914 -0.261 0.000 2.350 163 V HA 0.220 4.347 4.120 0.013 0.000 0.276 163 V C -1.041 174.846 176.094 -0.345 0.000 1.028 163 V CA -0.298 61.935 62.300 -0.113 0.000 0.860 163 V CB 0.484 32.293 31.823 -0.023 0.000 0.990 163 V HN 0.860 nan 8.190 nan 0.000 0.453 164 W N 4.010 125.359 121.300 0.081 0.000 2.360 164 W HA 0.517 5.185 4.660 0.012 0.000 0.344 164 W C 0.963 177.497 176.519 0.024 0.000 1.025 164 W CA -0.605 56.768 57.345 0.046 0.000 1.480 164 W CB 0.351 29.832 29.460 0.035 0.000 1.350 164 W HN 0.615 nan 8.180 nan 0.000 0.382 165 T N 0.150 114.750 114.554 0.078 0.000 2.927 165 T HA 0.355 4.712 4.350 0.013 0.000 0.281 165 T C -1.010 173.653 174.700 -0.063 0.000 0.998 165 T CA -2.124 59.986 62.100 0.016 0.000 1.019 165 T CB 1.935 70.818 68.868 0.025 0.000 1.061 165 T HN 0.210 nan 8.240 nan 0.000 0.518 166 P HA -0.025 nan 4.420 nan 0.000 0.231 166 P C -0.449 176.616 177.300 -0.392 0.000 1.158 166 P CA 0.833 63.683 63.100 -0.416 0.000 0.763 166 P CB -0.202 31.073 31.700 -0.708 0.000 0.805 167 Y N -0.031 120.296 120.300 0.045 0.000 2.516 167 Y HA 0.556 5.113 4.550 0.013 0.000 0.341 167 Y C 1.373 177.283 175.900 0.018 0.000 0.912 167 Y CA -0.603 57.514 58.100 0.029 0.000 1.167 167 Y CB 0.319 38.793 38.460 0.022 0.000 1.195 167 Y HN 0.048 nan 8.280 nan 0.000 0.610 168 G N -0.495 108.373 108.800 0.115 0.000 2.757 168 G HA2 -0.085 3.882 3.960 0.013 0.000 0.638 168 G HA3 -0.085 3.882 3.960 0.013 0.000 0.638 168 G C -1.105 173.777 174.900 -0.030 0.000 1.344 168 G CA -0.839 44.293 45.100 0.053 0.000 0.855 168 G HN 0.186 nan 8.290 nan 0.000 0.537 169 V N 0.608 120.431 119.914 -0.151 0.000 2.607 169 V HA 0.641 4.769 4.120 0.013 0.000 0.289 169 V C 1.024 176.960 176.094 -0.263 0.000 1.053 169 V CA -0.439 61.631 62.300 -0.382 0.000 0.996 169 V CB 1.323 32.731 31.823 -0.690 0.000 0.995 169 V HN 0.691 nan 8.190 nan 0.000 0.476 170 L N 4.774 125.833 121.223 -0.273 0.000 2.334 170 L HA 0.738 5.086 4.340 0.013 0.000 0.276 170 L C -0.060 176.697 176.870 -0.188 0.000 1.014 170 L CA -0.533 54.211 54.840 -0.160 0.000 0.815 170 L CB 1.848 43.851 42.059 -0.093 0.000 1.268 170 L HN 0.637 nan 8.230 nan 0.000 0.428 171 R N 0.307 120.736 120.500 -0.119 0.000 2.668 171 R HA 0.438 4.785 4.340 0.013 0.000 0.272 171 R C -0.744 175.556 176.300 -0.000 0.000 1.019 171 R CA -0.522 55.531 56.100 -0.080 0.000 0.894 171 R CB 2.169 32.389 30.300 -0.133 0.000 1.228 171 R HN 0.776 nan 8.270 nan 0.000 0.460 172 T N 0.126 114.718 114.554 0.063 0.000 2.795 172 T HA 0.186 4.543 4.350 0.013 0.000 0.314 172 T C 0.587 175.377 174.700 0.150 0.000 1.069 172 T CA -0.519 61.623 62.100 0.070 0.000 1.071 172 T CB 0.866 69.758 68.868 0.040 0.000 0.988 172 T HN 0.584 nan 8.240 nan 0.000 0.543 173 S N 0.235 115.981 115.700 0.077 0.000 2.738 173 S HA 0.513 4.991 4.470 0.013 0.000 0.284 173 S C 0.102 174.747 174.600 0.074 0.000 1.146 173 S CA -1.260 57.002 58.200 0.104 0.000 0.997 173 S CB 0.545 63.765 63.200 0.034 0.000 1.081 173 S HN 0.844 nan 8.310 nan 0.000 0.553 174 R N 1.534 122.087 120.500 0.089 0.000 2.457 174 R HA 0.179 4.527 4.340 0.013 0.000 0.335 174 R C -0.929 175.320 176.300 -0.084 0.000 1.003 174 R CA 0.464 56.564 56.100 -0.000 0.000 1.003 174 R CB -1.004 29.320 30.300 0.040 0.000 0.950 174 R HN 0.669 nan 8.270 nan 0.000 0.428 175 N N 5.468 124.065 118.700 -0.172 0.000 2.576 175 N HA 0.352 5.100 4.740 0.013 0.000 0.269 175 N C -2.347 173.065 175.510 -0.164 0.000 1.058 175 N CA -2.241 50.718 53.050 -0.150 0.000 0.860 175 N CB 1.927 40.318 38.487 -0.159 0.000 1.249 175 N HN 0.268 nan 8.380 nan 0.000 0.525 176 P HA -0.124 nan 4.420 nan 0.000 0.216 176 P C 0.696 177.927 177.300 -0.114 0.000 1.150 176 P CA 0.977 64.010 63.100 -0.112 0.000 0.843 176 P CB 0.392 32.045 31.700 -0.079 0.000 0.787 177 E N -1.053 119.083 120.200 -0.107 0.000 2.455 177 E HA -0.112 4.246 4.350 0.013 0.000 0.202 177 E C 1.469 178.000 176.600 -0.115 0.000 1.045 177 E CA 1.471 57.810 56.400 -0.101 0.000 0.872 177 E CB -0.730 28.911 29.700 -0.098 0.000 0.792 177 E HN 0.452 nan 8.360 nan 0.000 0.542 178 T N -2.533 111.939 114.554 -0.137 0.000 3.001 178 T HA 0.039 4.397 4.350 0.013 0.000 0.251 178 T C 0.409 175.043 174.700 -0.111 0.000 1.040 178 T CA -0.505 61.517 62.100 -0.130 0.000 0.985 178 T CB 0.159 68.927 68.868 -0.165 0.000 1.011 178 T HN -0.208 nan 8.240 nan 0.000 0.509 179 D N 3.352 123.666 120.400 -0.143 0.000 2.662 179 D HA 0.121 4.768 4.640 0.013 0.000 0.233 179 D C -0.203 175.979 176.300 -0.196 0.000 1.129 179 D CA 0.917 54.814 54.000 -0.171 0.000 0.851 179 D CB 0.419 41.077 40.800 -0.237 0.000 1.152 179 D HN 0.233 nan 8.370 nan 0.000 0.507 180 T N 2.741 117.226 114.554 -0.114 0.000 2.797 180 T HA 0.309 4.666 4.350 0.013 0.000 0.279 180 T C -0.204 174.413 174.700 -0.139 0.000 0.991 180 T CA -0.505 61.523 62.100 -0.119 0.000 0.979 180 T CB 0.436 69.276 68.868 -0.046 0.000 0.943 180 T HN 0.093 nan 8.240 nan 0.000 0.444 181 Y N 2.135 122.377 120.300 -0.097 0.000 2.310 181 Y HA 0.591 5.149 4.550 0.013 0.000 0.326 181 Y C 0.401 176.210 175.900 -0.152 0.000 1.151 181 Y CA -0.920 57.134 58.100 -0.077 0.000 1.195 181 Y CB 0.777 39.144 38.460 -0.154 0.000 1.210 181 Y HN 0.448 nan 8.280 nan 0.000 0.483 182 I N 4.704 125.326 120.570 0.085 0.000 2.466 182 I HA 0.393 4.570 4.170 0.013 0.000 0.289 182 I C -0.829 175.251 176.117 -0.060 0.000 1.026 182 I CA -0.371 60.869 61.300 -0.100 0.000 1.078 182 I CB 1.318 39.187 38.000 -0.218 0.000 1.249 182 I HN 0.408 nan 8.210 nan 0.000 0.429 183 L N 3.811 124.969 121.223 -0.107 0.000 2.267 183 L HA 0.621 4.969 4.340 0.013 0.000 0.264 183 L C -0.507 176.289 176.870 -0.124 0.000 1.021 183 L CA -0.925 53.858 54.840 -0.095 0.000 0.861 183 L CB 0.882 42.957 42.059 0.026 0.000 1.443 183 L HN 0.237 nan 8.230 nan 0.000 0.475 184 F N 0.466 120.468 119.950 0.087 0.000 2.485 184 F HA 0.164 4.698 4.527 0.011 0.000 0.327 184 F C 0.716 176.615 175.800 0.166 0.000 1.203 184 F CA 0.253 58.314 58.000 0.102 0.000 1.295 184 F CB 0.222 39.268 39.000 0.077 0.000 1.191 184 F HN 0.350 nan 8.300 nan 0.000 0.588 185 N N 2.236 121.156 118.700 0.367 0.000 2.653 185 N HA 0.222 4.970 4.740 0.013 0.000 0.261 185 N C -2.418 173.299 175.510 0.344 0.000 1.216 185 N CA -1.746 51.537 53.050 0.389 0.000 0.784 185 N CB 1.405 40.078 38.487 0.310 0.000 1.327 185 N HN 0.073 nan 8.380 nan 0.000 0.539 186 P HA 0.016 nan 4.420 nan 0.000 0.242 186 P C 0.871 178.180 177.300 0.015 0.000 1.197 186 P CA 0.438 63.545 63.100 0.012 0.000 0.765 186 P CB 0.099 31.624 31.700 -0.291 0.000 0.936 187 W N -0.458 120.951 121.300 0.180 0.000 2.737 187 W HA 0.106 4.773 4.660 0.011 0.000 0.262 187 W C 0.791 177.450 176.519 0.233 0.000 1.282 187 W CA -0.056 57.398 57.345 0.181 0.000 1.386 187 W CB -0.229 29.256 29.460 0.040 0.000 1.099 187 W HN -0.034 nan 8.180 nan 0.000 0.621 188 C N 3.146 122.655 119.300 0.348 0.000 2.325 188 C HA 0.164 4.632 4.460 0.013 0.000 0.347 188 C C 1.763 176.577 174.990 -0.293 0.000 1.263 188 C CA -0.251 58.802 59.018 0.059 0.000 1.806 188 C CB -0.037 27.749 27.740 0.077 0.000 2.405 188 C HN 0.519 nan 8.230 nan 0.000 0.537 189 E N 2.222 121.980 120.200 -0.737 0.000 2.515 189 E HA -0.116 4.242 4.350 0.013 0.000 0.201 189 E C 0.338 176.667 176.600 -0.450 0.000 1.071 189 E CA 1.098 56.778 56.400 -1.200 0.000 0.880 189 E CB -0.039 29.070 29.700 -0.985 0.000 0.828 189 E HN 0.775 nan 8.360 nan 0.000 0.540 190 D N 0.524 120.790 120.400 -0.223 0.000 2.431 190 D HA 0.039 4.687 4.640 0.013 0.000 0.213 190 D C -0.419 175.869 176.300 -0.019 0.000 1.130 190 D CA -0.075 53.868 54.000 -0.095 0.000 0.834 190 D CB 0.386 41.138 40.800 -0.080 0.000 0.985 190 D HN 0.149 nan 8.370 nan 0.000 0.504 191 D N 0.262 120.677 120.400 0.025 0.000 2.193 191 D HA 0.307 4.955 4.640 0.013 0.000 0.249 191 D C 1.072 177.452 176.300 0.134 0.000 1.034 191 D CA -0.440 53.621 54.000 0.103 0.000 0.902 191 D CB 2.130 43.026 40.800 0.159 0.000 1.182 191 D HN -0.068 nan 8.370 nan 0.000 0.436 192 A N 2.827 125.725 122.820 0.130 0.000 1.978 192 A HA -0.115 4.213 4.320 0.013 0.000 0.220 192 A C 2.064 179.704 177.584 0.094 0.000 1.170 192 A CA 1.109 53.199 52.037 0.088 0.000 0.636 192 A CB -0.357 18.685 19.000 0.070 0.000 0.810 192 A HN 0.473 nan 8.150 nan 0.000 0.448 193 V N -0.799 119.207 119.914 0.154 0.000 3.510 193 V HA -0.072 4.056 4.120 0.013 0.000 0.270 193 V C 1.026 177.270 176.094 0.250 0.000 1.201 193 V CA 0.220 62.618 62.300 0.164 0.000 1.166 193 V CB -1.501 30.412 31.823 0.151 0.000 0.825 193 V HN 0.597 nan 8.190 nan 0.000 0.484 194 Y N 1.089 121.458 120.300 0.116 0.000 2.881 194 Y HA 0.113 4.670 4.550 0.013 0.000 0.335 194 Y C -0.071 175.883 175.900 0.090 0.000 1.263 194 Y CA 0.150 58.292 58.100 0.069 0.000 1.572 194 Y CB 0.100 38.597 38.460 0.062 0.000 1.237 194 Y HN 0.102 nan 8.280 nan 0.000 0.568 195 L N 7.605 128.429 121.223 -0.664 0.000 2.319 195 L HA 0.234 4.582 4.340 0.013 0.000 0.281 195 L C -0.047 176.151 176.870 -1.121 0.000 1.005 195 L CA -0.666 53.634 54.840 -0.899 0.000 0.828 195 L CB 1.060 42.614 42.059 -0.842 0.000 1.227 195 L HN 0.753 nan 8.230 nan 0.000 0.415 196 D N 3.427 123.258 120.400 -0.947 0.000 2.856 196 D HA -0.002 4.646 4.640 0.013 0.000 0.242 196 D C -0.406 175.692 176.300 -0.337 0.000 1.226 196 D CA 0.016 53.639 54.000 -0.628 0.000 0.855 196 D CB 0.109 40.722 40.800 -0.312 0.000 1.065 196 D HN 0.299 nan 8.370 nan 0.000 0.462 197 N N 0.903 119.387 118.700 -0.361 0.000 2.600 197 N HA -0.049 4.698 4.740 0.013 0.000 0.272 197 N C 0.146 175.512 175.510 -0.239 0.000 1.095 197 N CA -0.230 52.681 53.050 -0.232 0.000 0.993 197 N CB 2.050 40.409 38.487 -0.213 0.000 1.603 197 N HN -0.133 nan 8.380 nan 0.000 0.526 198 E N 2.830 122.948 120.200 -0.136 0.000 2.153 198 E HA -0.037 4.321 4.350 0.013 0.000 0.194 198 E C 1.097 177.637 176.600 -0.101 0.000 0.988 198 E CA 1.690 58.036 56.400 -0.089 0.000 0.811 198 E CB 0.319 30.039 29.700 0.034 0.000 0.746 198 E HN 0.594 nan 8.360 nan 0.000 0.466 199 K N 0.097 120.431 120.400 -0.111 0.000 2.025 199 K HA -0.102 4.226 4.320 0.013 0.000 0.207 199 K C 2.067 178.528 176.600 -0.231 0.000 1.049 199 K CA 1.587 57.798 56.287 -0.126 0.000 0.933 199 K CB -0.028 32.407 32.500 -0.108 0.000 0.714 199 K HN 0.171 nan 8.250 nan 0.000 0.438 200 E N 0.030 120.063 120.200 -0.279 0.000 2.153 200 E HA -0.170 4.188 4.350 0.013 0.000 0.194 200 E C 2.035 178.421 176.600 -0.356 0.000 0.988 200 E CA 0.860 57.014 56.400 -0.411 0.000 0.811 200 E CB 0.043 29.634 29.700 -0.180 0.000 0.746 200 E HN 0.222 nan 8.360 nan 0.000 0.466 201 R N 0.864 121.164 120.500 -0.334 0.000 2.075 201 R HA -0.096 4.251 4.340 0.013 0.000 0.232 201 R C 2.211 178.388 176.300 -0.205 0.000 1.126 201 R CA 1.048 56.899 56.100 -0.415 0.000 0.963 201 R CB -0.099 29.770 30.300 -0.719 0.000 0.858 201 R HN 0.238 nan 8.270 nan 0.000 0.435 202 E N 0.491 120.625 120.200 -0.110 0.000 2.017 202 E HA -0.229 4.128 4.350 0.013 0.000 0.193 202 E C 1.932 178.518 176.600 -0.023 0.000 0.997 202 E CA 1.190 57.597 56.400 0.012 0.000 0.804 202 E CB -0.020 29.688 29.700 0.013 0.000 0.757 202 E HN 0.180 nan 8.360 nan 0.000 0.448 203 E N 0.703 120.796 120.200 -0.178 0.000 2.012 203 E HA -0.199 4.159 4.350 0.013 0.000 0.197 203 E C 1.844 178.359 176.600 -0.141 0.000 1.007 203 E CA 1.501 57.755 56.400 -0.243 0.000 0.816 203 E CB -0.440 28.923 29.700 -0.561 0.000 0.762 203 E HN 0.268 nan 8.360 nan 0.000 0.451 204 Y N -0.721 119.592 120.300 0.022 0.000 2.497 204 Y HA -0.003 4.555 4.550 0.012 0.000 0.292 204 Y C 2.058 177.959 175.900 0.001 0.000 1.137 204 Y CA 0.777 58.895 58.100 0.029 0.000 1.285 204 Y CB -0.130 38.361 38.460 0.051 0.000 0.991 204 Y HN -0.003 nan 8.280 nan 0.000 0.556 205 V N -2.470 117.510 119.914 0.111 0.000 3.058 205 V HA 0.003 4.130 4.120 0.013 0.000 0.233 205 V C 1.652 177.898 176.094 0.254 0.000 1.255 205 V CA 0.177 62.559 62.300 0.137 0.000 1.267 205 V CB -0.172 31.714 31.823 0.106 0.000 1.049 205 V HN 0.027 nan 8.190 nan 0.000 0.486 206 L N 0.612 122.014 121.223 0.298 0.000 2.313 206 L HA 0.186 4.534 4.340 0.013 0.000 0.214 206 L C 1.065 178.190 176.870 0.425 0.000 1.119 206 L CA 0.987 56.094 54.840 0.446 0.000 0.809 206 L CB -1.379 40.876 42.059 0.326 0.000 0.933 206 L HN 0.319 nan 8.230 nan 0.000 0.449 207 N N 1.685 120.540 118.700 0.259 0.000 2.452 207 N HA -0.056 4.692 4.740 0.013 0.000 0.266 207 N C 0.396 176.073 175.510 0.278 0.000 1.175 207 N CA 0.171 53.370 53.050 0.247 0.000 0.945 207 N CB 0.809 39.415 38.487 0.199 0.000 1.063 207 N HN 0.201 nan 8.380 nan 0.000 0.472 208 D N 3.162 123.718 120.400 0.260 0.000 2.402 208 D HA 0.128 4.775 4.640 0.013 0.000 0.216 208 D C 0.166 176.571 176.300 0.175 0.000 1.128 208 D CA 0.087 54.212 54.000 0.209 0.000 0.833 208 D CB 0.090 40.949 40.800 0.098 0.000 0.971 208 D HN 0.361 nan 8.370 nan 0.000 0.503 209 I N 0.254 120.901 120.570 0.129 0.000 2.533 209 I HA 0.595 4.773 4.170 0.013 0.000 0.290 209 I C 0.048 176.087 176.117 -0.131 0.000 1.056 209 I CA -0.921 60.328 61.300 -0.086 0.000 1.057 209 I CB 2.407 40.385 38.000 -0.037 0.000 1.240 209 I HN -0.016 nan 8.210 nan 0.000 0.423 210 G N 4.115 112.640 108.800 -0.458 0.000 2.642 210 G HA2 0.698 4.666 3.960 0.013 0.000 0.293 210 G HA3 0.698 4.666 3.960 0.013 0.000 0.293 210 G C -1.347 173.469 174.900 -0.140 0.000 1.341 210 G CA -0.628 44.337 45.100 -0.225 0.000 0.916 210 G HN 0.503 nan 8.290 nan 0.000 0.474 211 V N -1.070 118.813 119.914 -0.052 0.000 2.487 211 V HA 0.786 4.914 4.120 0.013 0.000 0.298 211 V C -0.518 175.454 176.094 -0.204 0.000 1.028 211 V CA -1.003 61.194 62.300 -0.171 0.000 0.860 211 V CB 1.104 32.767 31.823 -0.267 0.000 0.991 211 V HN 0.603 nan 8.190 nan 0.000 0.427 212 I N 5.453 125.880 120.570 -0.238 0.000 2.359 212 I HA 0.483 4.661 4.170 0.013 0.000 0.294 212 I C -0.621 175.315 176.117 -0.302 0.000 0.987 212 I CA -0.265 60.929 61.300 -0.178 0.000 1.225 212 I CB 1.442 39.368 38.000 -0.125 0.000 1.366 212 I HN 0.539 nan 8.210 nan 0.000 0.466 213 F N 6.469 126.373 119.950 -0.076 0.000 2.394 213 F HA 0.436 4.972 4.527 0.015 0.000 0.340 213 F C 0.221 175.921 175.800 -0.166 0.000 1.105 213 F CA -0.147 57.811 58.000 -0.069 0.000 1.124 213 F CB 0.737 39.696 39.000 -0.069 0.000 1.145 213 F HN 0.408 nan 8.300 nan 0.000 0.505 214 Y N -0.034 120.100 120.300 -0.276 0.000 3.200 214 Y HA 0.879 5.437 4.550 0.014 0.000 0.278 214 Y C 0.600 176.382 175.900 -0.197 0.000 1.960 214 Y CA -1.257 56.412 58.100 -0.718 0.000 1.048 214 Y CB 0.091 37.921 38.460 -1.050 0.000 1.768 214 Y HN 0.867 nan 8.280 nan 0.000 0.464 215 G N 1.051 109.651 108.800 -0.335 0.000 2.650 215 G HA2 0.148 4.115 3.960 0.013 0.000 0.264 215 G HA3 0.148 4.115 3.960 0.013 0.000 0.264 215 G C -0.757 174.205 174.900 0.104 0.000 1.263 215 G CA 0.817 45.805 45.100 -0.187 0.000 0.960 215 G HN 1.539 nan 8.290 nan 0.000 0.548 216 E N -2.073 118.061 120.200 -0.109 0.000 2.380 216 E HA 0.595 4.953 4.350 0.013 0.000 0.281 216 E C 0.512 176.701 176.600 -0.685 0.000 0.999 216 E CA 0.038 56.306 56.400 -0.220 0.000 0.800 216 E CB 1.246 30.893 29.700 -0.088 0.000 1.228 216 E HN 1.672 nan 8.360 nan 0.000 0.436 217 V N 2.161 121.485 119.914 -0.982 0.000 2.353 217 V HA -0.406 3.721 4.120 0.013 0.000 0.260 217 V C 0.889 176.662 176.094 -0.535 0.000 1.091 217 V CA 3.016 64.750 62.300 -0.942 0.000 1.088 217 V CB -0.660 30.778 31.823 -0.641 0.000 0.672 217 V HN 0.758 nan 8.190 nan 0.000 0.455 218 N N -1.115 117.376 118.700 -0.347 0.000 2.405 218 N HA 0.042 4.790 4.740 0.013 0.000 0.175 218 N C 0.241 175.625 175.510 -0.210 0.000 1.051 218 N CA 0.737 53.654 53.050 -0.222 0.000 0.899 218 N CB 0.287 38.693 38.487 -0.136 0.000 1.000 218 N HN 0.494 nan 8.380 nan 0.000 0.451 219 D N 0.466 120.719 120.400 -0.244 0.000 2.513 219 D HA 0.234 4.881 4.640 0.013 0.000 0.295 219 D C -1.049 175.092 176.300 -0.264 0.000 1.202 219 D CA -0.444 53.431 54.000 -0.209 0.000 0.849 219 D CB 0.068 40.769 40.800 -0.165 0.000 1.116 219 D HN -0.025 nan 8.370 nan 0.000 0.502 220 I N 2.666 123.071 120.570 -0.275 0.000 2.581 220 I HA 0.025 4.203 4.170 0.013 0.000 0.285 220 I C 0.696 176.674 176.117 -0.231 0.000 1.129 220 I CA 0.295 61.451 61.300 -0.240 0.000 1.397 220 I CB 0.294 38.218 38.000 -0.127 0.000 1.399 220 I HN -0.106 nan 8.210 nan 0.000 0.537 221 K N 4.756 124.890 120.400 -0.443 0.000 2.098 221 K HA 0.586 4.914 4.320 0.013 0.000 0.258 221 K C 0.050 176.349 176.600 -0.502 0.000 0.973 221 K CA -0.547 55.360 56.287 -0.633 0.000 0.898 221 K CB 1.702 33.385 32.500 -1.361 0.000 1.057 221 K HN 0.676 nan 8.250 nan 0.000 0.447 222 T N -1.056 113.337 114.554 -0.267 0.000 2.930 222 T HA 0.693 5.050 4.350 0.013 0.000 0.290 222 T C -0.265 174.385 174.700 -0.083 0.000 1.052 222 T CA -0.941 60.984 62.100 -0.292 0.000 1.017 222 T CB 2.540 71.150 68.868 -0.430 0.000 1.137 222 T HN 0.432 nan 8.240 nan 0.000 0.511 223 R N 0.297 120.661 120.500 -0.225 0.000 2.764 223 R HA 0.590 4.938 4.340 0.013 0.000 0.270 223 R C -1.523 174.618 176.300 -0.265 0.000 1.014 223 R CA -0.603 55.341 56.100 -0.260 0.000 0.904 223 R CB 2.360 32.370 30.300 -0.484 0.000 1.236 223 R HN 0.751 nan 8.270 nan 0.000 0.466 224 S N 1.438 116.993 115.700 -0.242 0.000 2.475 224 S HA 0.569 5.046 4.470 0.013 0.000 0.298 224 S C -1.542 172.969 174.600 -0.149 0.000 1.119 224 S CA -0.581 57.515 58.200 -0.174 0.000 1.085 224 S CB 0.876 63.988 63.200 -0.147 0.000 1.028 224 S HN 0.416 nan 8.310 nan 0.000 0.489 225 W N 3.083 124.195 121.300 -0.314 0.000 2.683 225 W HA 0.407 5.080 4.660 0.022 0.000 0.329 225 W C -0.542 175.727 176.519 -0.417 0.000 1.037 225 W CA -0.632 56.521 57.345 -0.319 0.000 1.232 225 W CB 1.802 31.080 29.460 -0.303 0.000 1.390 225 W HN 0.556 nan 8.180 nan 0.000 0.465 226 S N 5.063 120.386 115.700 -0.628 0.000 2.400 226 S HA 0.125 4.603 4.470 0.013 0.000 0.295 226 S C 0.600 175.149 174.600 -0.086 0.000 1.113 226 S CA -0.204 57.796 58.200 -0.333 0.000 1.064 226 S CB 0.156 63.189 63.200 -0.278 0.000 0.990 226 S HN 0.403 nan 8.310 nan 0.000 0.502 227 Y N 3.997 124.418 120.300 0.202 0.000 2.163 227 Y HA 0.126 4.683 4.550 0.012 0.000 0.288 227 Y C 2.277 178.224 175.900 0.079 0.000 1.136 227 Y CA 0.536 58.770 58.100 0.224 0.000 1.147 227 Y CB -0.926 37.606 38.460 0.121 0.000 0.987 227 Y HN 0.904 nan 8.280 nan 0.000 0.509 228 G N 1.019 109.910 108.800 0.152 0.000 2.305 228 G HA2 -0.325 3.642 3.960 0.013 0.000 0.287 228 G HA3 -0.325 3.642 3.960 0.013 0.000 0.287 228 G C 1.135 176.016 174.900 -0.031 0.000 1.036 228 G CA 0.669 45.806 45.100 0.061 0.000 0.887 228 G HN 0.510 nan 8.290 nan 0.000 0.505 229 Q N -0.938 118.714 119.800 -0.246 0.000 2.224 229 Q HA -0.045 4.303 4.340 0.013 0.000 0.203 229 Q C 1.740 177.460 176.000 -0.466 0.000 0.970 229 Q CA 1.564 57.117 55.803 -0.416 0.000 0.865 229 Q CB -0.306 28.047 28.738 -0.642 0.000 0.922 229 Q HN 0.642 nan 8.270 nan 0.000 0.445 230 F N 1.810 121.688 119.950 -0.119 0.000 2.765 230 F HA 0.265 4.796 4.527 0.007 0.000 0.302 230 F C 0.785 176.595 175.800 0.016 0.000 1.111 230 F CA -0.491 57.386 58.000 -0.205 0.000 1.359 230 F CB -0.015 38.835 39.000 -0.250 0.000 1.097 230 F HN -0.111 nan 8.300 nan 0.000 0.577 231 E N 0.931 121.240 120.200 0.181 0.000 2.390 231 E HA -0.063 4.294 4.350 0.013 0.000 0.261 231 E C -0.375 176.298 176.600 0.121 0.000 1.076 231 E CA -0.255 56.254 56.400 0.181 0.000 0.905 231 E CB 0.469 30.275 29.700 0.176 0.000 0.984 231 E HN 0.034 nan 8.360 nan 0.000 0.427 232 D N 0.083 120.519 120.400 0.060 0.000 2.536 232 D HA 0.050 4.697 4.640 0.013 0.000 0.260 232 D C 0.950 177.273 176.300 0.039 0.000 1.270 232 D CA 1.734 55.747 54.000 0.022 0.000 0.934 232 D CB -0.287 40.477 40.800 -0.059 0.000 1.129 232 D HN 0.620 nan 8.370 nan 0.000 0.533 233 G N 3.597 112.431 108.800 0.056 0.000 2.179 233 G HA2 -0.245 3.722 3.960 0.013 0.000 0.220 233 G HA3 -0.245 3.722 3.960 0.013 0.000 0.220 233 G C 1.049 175.995 174.900 0.078 0.000 0.990 233 G CA 0.195 45.327 45.100 0.053 0.000 0.646 233 G HN 0.484 nan 8.290 nan 0.000 0.517 234 I N 0.337 120.967 120.570 0.100 0.000 2.333 234 I HA 0.069 4.247 4.170 0.013 0.000 0.246 234 I C 2.688 178.882 176.117 0.127 0.000 1.106 234 I CA 1.496 62.866 61.300 0.118 0.000 1.411 234 I CB -1.189 36.874 38.000 0.105 0.000 1.082 234 I HN 0.305 nan 8.210 nan 0.000 0.420 235 L N 1.618 122.912 121.223 0.118 0.000 2.013 235 L HA -0.234 4.114 4.340 0.013 0.000 0.212 235 L C 1.778 178.684 176.870 0.060 0.000 1.073 235 L CA 2.120 56.992 54.840 0.053 0.000 0.753 235 L CB -0.931 41.047 42.059 -0.134 0.000 0.890 235 L HN 0.174 nan 8.230 nan 0.000 0.432 236 D N -1.431 119.014 120.400 0.075 0.000 2.219 236 D HA -0.143 4.505 4.640 0.013 0.000 0.205 236 D C 2.121 178.530 176.300 0.182 0.000 0.970 236 D CA 1.543 55.630 54.000 0.146 0.000 0.851 236 D CB -0.081 40.798 40.800 0.132 0.000 0.943 236 D HN 0.587 nan 8.370 nan 0.000 0.488 237 T N -2.221 112.440 114.554 0.179 0.000 2.942 237 T HA -0.094 4.264 4.350 0.013 0.000 0.265 237 T C 2.180 177.110 174.700 0.385 0.000 1.062 237 T CA 0.456 62.714 62.100 0.263 0.000 1.139 237 T CB -0.775 68.223 68.868 0.216 0.000 0.883 237 T HN 0.196 nan 8.240 nan 0.000 0.468 238 C N 1.611 121.097 119.300 0.309 0.000 2.413 238 C HA 0.097 4.565 4.460 0.013 0.000 0.276 238 C C 2.772 177.988 174.990 0.375 0.000 1.248 238 C CA 0.301 59.542 59.018 0.373 0.000 1.742 238 C CB -1.522 26.301 27.740 0.139 0.000 2.017 238 C HN 0.537 nan 8.230 nan 0.000 0.481 239 L N -0.461 120.921 121.223 0.264 0.000 2.056 239 L HA -0.162 4.186 4.340 0.013 0.000 0.207 239 L C 2.589 179.620 176.870 0.267 0.000 1.078 239 L CA 1.745 56.724 54.840 0.232 0.000 0.749 239 L CB -1.052 41.122 42.059 0.190 0.000 0.901 239 L HN 0.339 nan 8.230 nan 0.000 0.433 240 Y N 0.822 121.227 120.300 0.176 0.000 2.207 240 Y HA -0.238 4.323 4.550 0.018 0.000 0.287 240 Y C 2.398 178.422 175.900 0.207 0.000 1.156 240 Y CA 1.446 59.637 58.100 0.152 0.000 1.182 240 Y CB -0.401 38.133 38.460 0.123 0.000 0.979 240 Y HN -0.167 nan 8.280 nan 0.000 0.521 241 V N 0.667 120.737 119.914 0.259 0.000 2.255 241 V HA -0.402 3.726 4.120 0.013 0.000 0.247 241 V C 2.442 178.575 176.094 0.064 0.000 1.051 241 V CA 2.483 64.889 62.300 0.177 0.000 1.018 241 V CB -0.617 31.363 31.823 0.262 0.000 0.641 241 V HN 0.490 nan 8.190 nan 0.000 0.445 242 M N -0.589 119.119 119.600 0.180 0.000 2.108 242 M HA -0.203 4.285 4.480 0.013 0.000 0.261 242 M C 1.970 178.295 176.300 0.042 0.000 1.066 242 M CA 1.950 57.335 55.300 0.141 0.000 1.107 242 M CB -0.794 31.937 32.600 0.218 0.000 1.356 242 M HN 0.314 nan 8.290 nan 0.000 0.406 243 D N 0.021 120.430 120.400 0.015 0.000 2.149 243 D HA -0.115 4.532 4.640 0.013 0.000 0.198 243 D C 2.143 178.387 176.300 -0.095 0.000 0.990 243 D CA 0.971 54.955 54.000 -0.027 0.000 0.839 243 D CB -0.266 40.527 40.800 -0.011 0.000 0.948 243 D HN 0.137 nan 8.370 nan 0.000 0.460 244 R N 0.568 120.946 120.500 -0.203 0.000 2.096 244 R HA 0.059 4.407 4.340 0.013 0.000 0.235 244 R C 1.867 178.117 176.300 -0.083 0.000 1.127 244 R CA 0.872 56.854 56.100 -0.198 0.000 0.968 244 R CB -0.818 29.327 30.300 -0.258 0.000 0.861 244 R HN 0.128 nan 8.270 nan 0.000 0.440 245 A N 0.676 123.462 122.820 -0.057 0.000 2.235 245 A HA -0.038 4.290 4.320 0.013 0.000 0.208 245 A C 0.408 177.977 177.584 -0.024 0.000 1.172 245 A CA 0.049 52.061 52.037 -0.040 0.000 0.786 245 A CB -0.216 18.760 19.000 -0.039 0.000 0.804 245 A HN 0.402 nan 8.150 nan 0.000 0.479 246 Q N -1.754 118.034 119.800 -0.020 0.000 2.453 246 Q HA -0.206 4.142 4.340 0.013 0.000 0.294 246 Q C 0.010 176.013 176.000 0.006 0.000 1.295 246 Q CA 0.727 56.527 55.803 -0.005 0.000 0.853 246 Q CB -1.399 27.334 28.738 -0.007 0.000 1.193 246 Q HN 0.824 nan 8.270 nan 0.000 0.461 247 M N 1.152 120.763 119.600 0.018 0.000 2.188 247 M HA 0.078 4.566 4.480 0.013 0.000 0.354 247 M C 0.099 176.423 176.300 0.039 0.000 1.342 247 M CA -0.055 55.264 55.300 0.033 0.000 1.117 247 M CB 0.516 33.151 32.600 0.059 0.000 1.670 247 M HN 0.089 nan 8.290 nan 0.000 0.466 248 D N 3.808 124.230 120.400 0.037 0.000 2.487 248 D HA 0.009 4.656 4.640 0.013 0.000 0.243 248 D C 0.931 177.260 176.300 0.049 0.000 1.154 248 D CA 0.250 54.274 54.000 0.041 0.000 0.876 248 D CB 0.642 41.465 40.800 0.038 0.000 1.161 248 D HN 0.655 nan 8.370 nan 0.000 0.478 249 L N 2.689 123.937 121.223 0.041 0.000 2.043 249 L HA -0.261 4.086 4.340 0.013 0.000 0.212 249 L C 2.416 179.317 176.870 0.052 0.000 1.075 249 L CA 1.380 56.237 54.840 0.029 0.000 0.752 249 L CB -0.482 41.577 42.059 -0.001 0.000 0.891 249 L HN 0.431 nan 8.230 nan 0.000 0.432 250 S N -0.164 115.574 115.700 0.064 0.000 2.420 250 S HA -0.159 4.319 4.470 0.013 0.000 0.237 250 S C 1.907 176.561 174.600 0.090 0.000 1.023 250 S CA 1.168 59.416 58.200 0.081 0.000 0.991 250 S CB -0.661 62.585 63.200 0.075 0.000 0.792 250 S HN 0.648 nan 8.310 nan 0.000 0.488 251 G N 1.274 110.125 108.800 0.085 0.000 2.623 251 G HA2 -0.051 3.916 3.960 0.013 0.000 0.214 251 G HA3 -0.051 3.916 3.960 0.013 0.000 0.214 251 G C 1.311 176.292 174.900 0.135 0.000 1.138 251 G CA -0.308 44.852 45.100 0.099 0.000 0.794 251 G HN 0.420 nan 8.290 nan 0.000 0.535 252 R N 0.357 120.934 120.500 0.129 0.000 2.328 252 R HA 0.012 4.359 4.340 0.013 0.000 0.207 252 R C 2.297 178.715 176.300 0.196 0.000 1.056 252 R CA 0.625 56.824 56.100 0.164 0.000 1.016 252 R CB 0.017 30.381 30.300 0.106 0.000 0.872 252 R HN 0.290 nan 8.270 nan 0.000 0.471 253 G N 0.492 109.389 108.800 0.162 0.000 3.042 253 G HA2 -0.110 3.858 3.960 0.013 0.000 0.212 253 G HA3 -0.110 3.858 3.960 0.013 0.000 0.212 253 G C 0.256 175.359 174.900 0.338 0.000 1.166 253 G CA -0.302 44.878 45.100 0.133 0.000 0.767 253 G HN 0.087 nan 8.290 nan 0.000 0.546 254 N N 1.050 119.940 118.700 0.318 0.000 2.462 254 N HA 0.238 4.986 4.740 0.013 0.000 0.242 254 N C -1.194 174.447 175.510 0.217 0.000 1.010 254 N CA -2.295 50.904 53.050 0.249 0.000 0.939 254 N CB 2.546 41.127 38.487 0.157 0.000 1.127 254 N HN -0.094 nan 8.380 nan 0.000 0.509 255 P HA -0.179 nan 4.420 nan 0.000 0.215 255 P C 1.673 178.949 177.300 -0.040 0.000 1.157 255 P CA 1.161 64.154 63.100 -0.178 0.000 0.874 255 P CB 0.593 32.131 31.700 -0.270 0.000 0.790 256 I N 0.469 121.049 120.570 0.016 0.000 2.068 256 I HA -0.291 3.886 4.170 0.013 0.000 0.238 256 I C 2.799 178.929 176.117 0.022 0.000 1.046 256 I CA 2.160 63.487 61.300 0.045 0.000 1.306 256 I CB -0.805 37.257 38.000 0.104 0.000 1.023 256 I HN 0.011 nan 8.210 nan 0.000 0.399 257 K N 0.764 121.191 120.400 0.045 0.000 2.283 257 K HA -0.107 4.221 4.320 0.013 0.000 0.202 257 K C 1.898 178.536 176.600 0.063 0.000 1.048 257 K CA 0.794 57.094 56.287 0.022 0.000 0.948 257 K CB 0.146 32.676 32.500 0.051 0.000 0.742 257 K HN 0.135 nan 8.250 nan 0.000 0.458 258 V N 0.904 120.888 119.914 0.117 0.000 2.379 258 V HA -0.217 3.911 4.120 0.013 0.000 0.245 258 V C 2.202 178.457 176.094 0.269 0.000 1.044 258 V CA 2.052 64.476 62.300 0.207 0.000 1.036 258 V CB -0.082 31.858 31.823 0.195 0.000 0.664 258 V HN 0.500 nan 8.190 nan 0.000 0.453 259 S N 0.595 116.414 115.700 0.198 0.000 2.371 259 S HA -0.193 4.285 4.470 0.013 0.000 0.224 259 S C 2.001 176.691 174.600 0.150 0.000 1.029 259 S CA 1.127 59.517 58.200 0.317 0.000 0.978 259 S CB -0.435 62.917 63.200 0.254 0.000 0.833 259 S HN 0.455 nan 8.310 nan 0.000 0.466 260 R N 1.617 122.104 120.500 -0.023 0.000 2.091 260 R HA 0.013 4.361 4.340 0.013 0.000 0.238 260 R C 1.973 178.166 176.300 -0.178 0.000 1.136 260 R CA 1.730 57.710 56.100 -0.200 0.000 0.959 260 R CB -1.061 29.020 30.300 -0.365 0.000 0.856 260 R HN 0.360 nan 8.270 nan 0.000 0.437 261 V N -0.390 119.467 119.914 -0.095 0.000 2.535 261 V HA 0.061 4.189 4.120 0.013 0.000 0.246 261 V C 2.204 178.229 176.094 -0.115 0.000 1.045 261 V CA 1.666 63.908 62.300 -0.097 0.000 1.058 261 V CB -0.603 31.201 31.823 -0.031 0.000 0.689 261 V HN 0.607 nan 8.190 nan 0.000 0.461 262 G N 0.824 109.598 108.800 -0.043 0.000 2.433 262 G HA2 -0.277 3.690 3.960 0.013 0.000 0.216 262 G HA3 -0.277 3.690 3.960 0.013 0.000 0.216 262 G C 1.883 176.564 174.900 -0.366 0.000 1.186 262 G CA 1.379 46.344 45.100 -0.225 0.000 0.779 262 G HN 0.623 nan 8.290 nan 0.000 0.543 263 S N 1.169 116.614 115.700 -0.425 0.000 2.419 263 S HA 0.112 4.590 4.470 0.013 0.000 0.235 263 S C 2.458 176.745 174.600 -0.521 0.000 1.019 263 S CA 1.444 59.126 58.200 -0.863 0.000 0.982 263 S CB -0.383 62.299 63.200 -0.863 0.000 0.789 263 S HN 0.616 nan 8.310 nan 0.000 0.490 264 A N 0.957 123.567 122.820 -0.351 0.000 2.168 264 A HA 0.266 4.594 4.320 0.013 0.000 0.215 264 A C 2.136 179.575 177.584 -0.241 0.000 1.152 264 A CA 0.939 52.821 52.037 -0.258 0.000 0.716 264 A CB -0.469 18.393 19.000 -0.229 0.000 0.794 264 A HN 0.503 nan 8.150 nan 0.000 0.465 265 M N -1.020 118.403 119.600 -0.294 0.000 2.466 265 M HA 0.018 4.506 4.480 0.013 0.000 0.265 265 M C 2.057 178.164 176.300 -0.322 0.000 1.122 265 M CA 0.779 55.916 55.300 -0.272 0.000 1.157 265 M CB -0.744 31.689 32.600 -0.278 0.000 1.352 265 M HN 0.228 nan 8.290 nan 0.000 0.464 266 V N 1.081 120.759 119.914 -0.394 0.000 2.252 266 V HA -0.254 3.873 4.120 0.013 0.000 0.249 266 V C 1.137 176.962 176.094 -0.448 0.000 1.056 266 V CA 1.505 63.564 62.300 -0.401 0.000 1.022 266 V CB -0.930 30.627 31.823 -0.443 0.000 0.641 266 V HN 0.530 nan 8.190 nan 0.000 0.445 267 N N 0.650 119.015 118.700 -0.558 0.000 2.521 267 N HA 0.406 5.153 4.740 0.013 0.000 0.236 267 N C -0.098 175.278 175.510 -0.223 0.000 1.067 267 N CA 0.073 52.802 53.050 -0.534 0.000 0.939 267 N CB 0.645 38.739 38.487 -0.655 0.000 1.201 267 N HN 0.425 nan 8.380 nan 0.000 0.511 268 A N 3.870 126.620 122.820 -0.116 0.000 2.513 268 A HA -0.025 4.302 4.320 0.013 0.000 0.274 268 A C 0.422 178.003 177.584 -0.006 0.000 1.115 268 A CA 0.223 52.234 52.037 -0.042 0.000 0.792 268 A CB -0.150 18.855 19.000 0.007 0.000 1.053 268 A HN 0.719 nan 8.150 nan 0.000 0.515 269 K N 3.468 123.857 120.400 -0.018 0.000 2.273 269 K HA 0.233 4.560 4.320 0.013 0.000 0.287 269 K C -0.398 176.209 176.600 0.013 0.000 1.089 269 K CA 0.182 56.463 56.287 -0.009 0.000 0.909 269 K CB 0.056 32.545 32.500 -0.018 0.000 1.123 269 K HN 0.916 nan 8.250 nan 0.000 0.473 270 D N 4.580 124.998 120.400 0.030 0.000 3.514 270 D HA -0.266 4.382 4.640 0.013 0.000 0.213 270 D C 0.184 176.508 176.300 0.040 0.000 1.118 270 D CA 1.256 55.280 54.000 0.040 0.000 1.071 270 D CB -0.437 40.381 40.800 0.031 0.000 0.781 270 D HN 0.920 nan 8.370 nan 0.000 0.384 271 D N 0.233 120.664 120.400 0.052 0.000 3.067 271 D HA -0.409 4.239 4.640 0.013 0.000 0.216 271 D C 0.461 176.795 176.300 0.057 0.000 1.162 271 D CA 2.028 56.061 54.000 0.055 0.000 0.960 271 D CB -0.883 39.945 40.800 0.047 0.000 1.129 271 D HN 0.619 nan 8.370 nan 0.000 0.408 272 E N 0.675 120.900 120.200 0.041 0.000 2.048 272 E HA 0.319 4.676 4.350 0.013 0.000 0.193 272 E C 1.639 178.261 176.600 0.036 0.000 0.956 272 E CA 1.362 57.783 56.400 0.036 0.000 0.846 272 E CB -0.756 28.951 29.700 0.013 0.000 0.827 272 E HN 0.425 nan 8.360 nan 0.000 0.466 273 G N 0.243 109.029 108.800 -0.024 0.000 2.413 273 G HA2 -0.010 3.958 3.960 0.013 0.000 0.300 273 G HA3 -0.010 3.958 3.960 0.013 0.000 0.300 273 G C 1.056 175.853 174.900 -0.172 0.000 1.370 273 G CA 0.406 45.442 45.100 -0.108 0.000 1.110 273 G HN 0.171 nan 8.290 nan 0.000 0.596 274 V N -0.435 119.263 119.914 -0.360 0.000 2.283 274 V HA 0.155 4.282 4.120 0.013 0.000 0.239 274 V C 1.265 177.237 176.094 -0.202 0.000 1.035 274 V CA 1.002 62.971 62.300 -0.552 0.000 1.018 274 V CB -0.660 30.783 31.823 -0.633 0.000 0.658 274 V HN 0.283 nan 8.190 nan 0.000 0.459 275 L N 0.058 121.221 121.223 -0.100 0.000 2.334 275 L HA 0.473 4.820 4.340 0.013 0.000 0.275 275 L C -0.817 176.140 176.870 0.146 0.000 1.036 275 L CA -0.457 54.418 54.840 0.059 0.000 0.807 275 L CB 2.024 44.225 42.059 0.237 0.000 1.231 275 L HN -0.030 nan 8.230 nan 0.000 0.438 276 V N 1.847 121.868 119.914 0.177 0.000 2.370 276 V HA 0.394 4.522 4.120 0.013 0.000 0.279 276 V C 0.701 177.015 176.094 0.368 0.000 1.029 276 V CA -0.559 61.892 62.300 0.251 0.000 0.870 276 V CB 1.219 33.182 31.823 0.234 0.000 0.984 276 V HN 0.863 nan 8.190 nan 0.000 0.451 277 G N 3.086 112.141 108.800 0.426 0.000 2.432 277 G HA2 0.489 4.457 3.960 0.013 0.000 0.257 277 G HA3 0.489 4.457 3.960 0.013 0.000 0.257 277 G C -0.285 174.813 174.900 0.331 0.000 1.238 277 G CA -0.076 45.257 45.100 0.387 0.000 0.838 277 G HN 0.728 nan 8.290 nan 0.000 0.547 278 S N 0.716 116.391 115.700 -0.042 0.000 2.543 278 S HA 0.500 4.977 4.470 0.013 0.000 0.273 278 S C -0.614 174.054 174.600 0.114 0.000 1.152 278 S CA -0.754 57.546 58.200 0.167 0.000 0.910 278 S CB 0.823 63.944 63.200 -0.133 0.000 1.105 278 S HN 0.688 nan 8.310 nan 0.000 0.465 279 W N 2.476 123.836 121.300 0.099 0.000 2.518 279 W HA 0.159 4.828 4.660 0.016 0.000 0.352 279 W C -0.171 176.370 176.519 0.038 0.000 0.952 279 W CA -0.433 56.977 57.345 0.109 0.000 1.624 279 W CB 0.338 29.722 29.460 -0.127 0.000 1.135 279 W HN 0.756 nan 8.180 nan 0.000 0.540 280 D N 0.294 120.758 120.400 0.106 0.000 2.346 280 D HA -0.053 4.594 4.640 0.013 0.000 0.260 280 D C 0.506 176.545 176.300 -0.435 0.000 1.252 280 D CA 0.227 54.172 54.000 -0.092 0.000 0.895 280 D CB 0.412 41.125 40.800 -0.145 0.000 1.097 280 D HN 0.052 nan 8.370 nan 0.000 0.489 281 N N 2.137 120.750 118.700 -0.145 0.000 2.573 281 N HA -0.188 4.560 4.740 0.013 0.000 0.196 281 N C 1.277 176.390 175.510 -0.662 0.000 1.064 281 N CA 0.790 53.659 53.050 -0.301 0.000 0.922 281 N CB -0.007 38.466 38.487 -0.024 0.000 0.947 281 N HN 0.535 nan 8.380 nan 0.000 0.450 282 I N -1.140 119.023 120.570 -0.678 0.000 2.185 282 I HA -0.181 3.997 4.170 0.013 0.000 0.235 282 I C 0.097 175.932 176.117 -0.470 0.000 1.069 282 I CA 0.596 61.623 61.300 -0.456 0.000 1.354 282 I CB -0.184 37.664 38.000 -0.254 0.000 1.093 282 I HN 0.119 nan 8.210 nan 0.000 0.411 283 Y N -0.100 120.139 120.300 -0.103 0.000 3.661 283 Y HA -0.207 4.352 4.550 0.014 0.000 0.224 283 Y C 1.531 177.494 175.900 0.104 0.000 1.342 283 Y CA -0.127 57.908 58.100 -0.108 0.000 1.723 283 Y CB -2.441 36.022 38.460 0.006 0.000 1.546 283 Y HN 0.282 nan 8.280 nan 0.000 0.631 284 A N -0.945 121.911 122.820 0.061 0.000 2.001 284 A HA -0.247 4.080 4.320 0.013 0.000 0.224 284 A C 1.128 178.560 177.584 -0.253 0.000 1.203 284 A CA 2.661 54.611 52.037 -0.146 0.000 0.667 284 A CB -0.512 18.340 19.000 -0.247 0.000 0.823 284 A HN 0.657 nan 8.150 nan 0.000 0.473 285 Y N -1.940 118.579 120.300 0.365 0.000 2.712 285 Y HA 0.480 5.037 4.550 0.012 0.000 0.250 285 Y C 0.823 176.774 175.900 0.085 0.000 1.101 285 Y CA -0.198 58.022 58.100 0.201 0.000 1.118 285 Y CB 0.546 39.091 38.460 0.142 0.000 1.203 285 Y HN 0.427 nan 8.280 nan 0.000 0.587 286 G N -1.030 107.938 108.800 0.280 0.000 2.650 286 G HA2 0.470 4.438 3.960 0.013 0.000 0.310 286 G HA3 0.470 4.438 3.960 0.013 0.000 0.310 286 G C -1.785 173.152 174.900 0.060 0.000 1.270 286 G CA -0.685 44.433 45.100 0.030 0.000 0.810 286 G HN -0.202 nan 8.290 nan 0.000 0.493 287 V N 2.140 122.000 119.914 -0.090 0.000 2.461 287 V HA 0.345 4.472 4.120 0.013 0.000 0.275 287 V C -1.992 173.922 176.094 -0.301 0.000 1.047 287 V CA -1.068 61.025 62.300 -0.345 0.000 0.955 287 V CB 1.430 32.704 31.823 -0.916 0.000 0.988 287 V HN 0.445 nan 8.190 nan 0.000 0.471 288 P HA 0.135 nan 4.420 nan 0.000 0.267 288 P C -2.048 174.968 177.300 -0.472 0.000 1.209 288 P CA -1.010 61.776 63.100 -0.522 0.000 0.763 288 P CB 0.264 31.840 31.700 -0.206 0.000 0.816 289 P HA -0.213 nan 4.420 nan 0.000 0.218 289 P C 1.080 178.523 177.300 0.240 0.000 1.150 289 P CA 1.747 64.809 63.100 -0.063 0.000 0.841 289 P CB -0.176 31.333 31.700 -0.319 0.000 0.784 290 S N -1.302 114.538 115.700 0.233 0.000 2.507 290 S HA -0.038 4.440 4.470 0.013 0.000 0.235 290 S C 1.881 176.546 174.600 0.109 0.000 0.988 290 S CA 0.957 59.356 58.200 0.332 0.000 0.944 290 S CB -0.692 62.684 63.200 0.292 0.000 0.762 290 S HN 0.179 nan 8.310 nan 0.000 0.526 291 A N 1.344 124.048 122.820 -0.193 0.000 1.854 291 A HA 0.016 4.344 4.320 0.013 0.000 0.214 291 A C 0.500 177.843 177.584 -0.402 0.000 1.192 291 A CA 0.160 51.916 52.037 -0.469 0.000 0.611 291 A CB -0.897 17.590 19.000 -0.855 0.000 0.832 291 A HN 0.572 nan 8.150 nan 0.000 0.442 292 W N 0.807 121.998 121.300 -0.181 0.000 2.480 292 W HA 0.118 4.781 4.660 0.004 0.000 0.337 292 W C 1.297 177.602 176.519 -0.358 0.000 1.201 292 W CA 0.649 57.860 57.345 -0.224 0.000 1.309 292 W CB 0.047 29.451 29.460 -0.094 0.000 1.168 292 W HN 0.340 nan 8.180 nan 0.000 0.566 293 T N 0.082 114.501 114.554 -0.225 0.000 3.001 293 T HA 0.499 4.856 4.350 0.013 0.000 0.251 293 T C 0.617 174.745 174.700 -0.954 0.000 1.040 293 T CA 0.284 62.123 62.100 -0.434 0.000 0.985 293 T CB 0.372 69.124 68.868 -0.194 0.000 1.011 293 T HN 0.715 nan 8.240 nan 0.000 0.509 294 G N 0.076 108.202 108.800 -1.123 0.000 2.495 294 G HA2 0.435 4.403 3.960 0.013 0.000 0.294 294 G HA3 0.435 4.403 3.960 0.013 0.000 0.294 294 G C 0.110 174.736 174.900 -0.456 0.000 1.397 294 G CA -0.116 44.167 45.100 -1.362 0.000 0.790 294 G HN -0.113 nan 8.290 nan 0.000 0.486 295 S N -0.857 114.920 115.700 0.128 0.000 2.406 295 S HA -0.055 4.422 4.470 0.013 0.000 0.228 295 S C 2.623 177.290 174.600 0.111 0.000 1.020 295 S CA 1.188 59.568 58.200 0.298 0.000 0.965 295 S CB -0.191 63.271 63.200 0.437 0.000 0.798 295 S HN 0.546 nan 8.310 nan 0.000 0.488 296 V N 4.029 123.991 119.914 0.079 0.000 2.232 296 V HA -0.342 3.786 4.120 0.013 0.000 0.251 296 V C 2.479 178.619 176.094 0.076 0.000 1.048 296 V CA 2.366 64.713 62.300 0.079 0.000 1.029 296 V CB -1.126 30.741 31.823 0.073 0.000 0.658 296 V HN 0.604 nan 8.190 nan 0.000 0.464 297 D N -0.072 120.379 120.400 0.085 0.000 2.221 297 D HA -0.183 4.465 4.640 0.013 0.000 0.204 297 D C 1.892 178.241 176.300 0.081 0.000 0.982 297 D CA 1.609 55.677 54.000 0.114 0.000 0.857 297 D CB -0.576 40.332 40.800 0.181 0.000 0.934 297 D HN 0.535 nan 8.370 nan 0.000 0.475 298 I N 0.214 120.760 120.570 -0.040 0.000 2.113 298 I HA -0.241 3.937 4.170 0.013 0.000 0.238 298 I C 2.693 178.814 176.117 0.007 0.000 1.070 298 I CA 0.827 62.013 61.300 -0.190 0.000 1.332 298 I CB -0.250 37.486 38.000 -0.441 0.000 1.044 298 I HN -0.025 nan 8.210 nan 0.000 0.402 299 L N 0.250 121.511 121.223 0.062 0.000 2.042 299 L HA -0.241 4.107 4.340 0.013 0.000 0.210 299 L C 2.539 179.526 176.870 0.195 0.000 1.076 299 L CA 1.407 56.353 54.840 0.176 0.000 0.749 299 L CB -0.447 41.717 42.059 0.174 0.000 0.893 299 L HN 0.291 nan 8.230 nan 0.000 0.432 300 L N -1.045 120.249 121.223 0.118 0.000 2.093 300 L HA -0.169 4.178 4.340 0.013 0.000 0.208 300 L C 2.655 179.562 176.870 0.063 0.000 1.085 300 L CA 0.894 55.779 54.840 0.075 0.000 0.755 300 L CB -0.596 41.499 42.059 0.060 0.000 0.904 300 L HN 0.297 nan 8.230 nan 0.000 0.435 301 E N -0.090 120.167 120.200 0.094 0.000 2.106 301 E HA -0.244 4.113 4.350 0.013 0.000 0.192 301 E C 2.023 178.691 176.600 0.113 0.000 0.984 301 E CA 1.251 57.707 56.400 0.094 0.000 0.806 301 E CB -0.119 29.655 29.700 0.124 0.000 0.750 301 E HN 0.449 nan 8.360 nan 0.000 0.458 302 Y N 1.717 122.037 120.300 0.032 0.000 2.114 302 Y HA -0.192 4.365 4.550 0.011 0.000 0.284 302 Y C 2.483 178.436 175.900 0.087 0.000 1.143 302 Y CA 2.343 60.484 58.100 0.069 0.000 1.135 302 Y CB -0.429 38.085 38.460 0.089 0.000 0.980 302 Y HN -0.078 nan 8.280 nan 0.000 0.499 303 R N -0.284 120.097 120.500 -0.198 0.000 2.120 303 R HA -0.125 4.223 4.340 0.013 0.000 0.234 303 R C 2.063 178.122 176.300 -0.402 0.000 1.123 303 R CA 1.784 57.562 56.100 -0.537 0.000 0.975 303 R CB -0.291 29.729 30.300 -0.468 0.000 0.866 303 R HN 0.376 nan 8.270 nan 0.000 0.446 304 S N -0.173 115.410 115.700 -0.194 0.000 2.395 304 S HA -0.073 4.404 4.470 0.013 0.000 0.225 304 S C 1.858 176.405 174.600 -0.089 0.000 1.027 304 S CA 1.108 59.232 58.200 -0.126 0.000 0.965 304 S CB 0.232 63.396 63.200 -0.061 0.000 0.812 304 S HN 0.575 nan 8.310 nan 0.000 0.482 305 S N 0.949 116.612 115.700 -0.062 0.000 2.478 305 S HA 0.095 4.573 4.470 0.013 0.000 0.222 305 S C 0.553 175.132 174.600 -0.035 0.000 1.008 305 S CA 0.365 58.551 58.200 -0.024 0.000 0.928 305 S CB -0.378 62.836 63.200 0.023 0.000 0.781 305 S HN 0.501 nan 8.310 nan 0.000 0.518 306 E N 0.201 120.338 120.200 -0.105 0.000 3.170 306 E HA -0.210 4.148 4.350 0.013 0.000 0.284 306 E C -0.616 175.988 176.600 0.006 0.000 0.967 306 E CA 0.752 57.099 56.400 -0.087 0.000 0.919 306 E CB -2.070 27.627 29.700 -0.004 0.000 1.469 306 E HN 0.738 nan 8.360 nan 0.000 0.444 307 N N -0.543 118.198 118.700 0.068 0.000 2.509 307 N HA 0.389 5.137 4.740 0.013 0.000 0.280 307 N C -2.946 172.711 175.510 0.244 0.000 1.306 307 N CA -1.882 51.252 53.050 0.139 0.000 0.782 307 N CB 1.846 40.380 38.487 0.077 0.000 1.493 307 N HN -0.229 nan 8.380 nan 0.000 0.498 308 P HA 0.074 nan 4.420 nan 0.000 0.271 308 P C -0.930 176.432 177.300 0.103 0.000 1.216 308 P CA -0.142 63.048 63.100 0.151 0.000 0.771 308 P CB 0.652 32.405 31.700 0.088 0.000 0.864 309 V N 5.359 125.324 119.914 0.085 0.000 2.498 309 V HA 0.219 4.347 4.120 0.013 0.000 0.279 309 V C 0.763 176.864 176.094 0.011 0.000 1.048 309 V CA -0.056 62.277 62.300 0.056 0.000 0.967 309 V CB 0.533 32.368 31.823 0.020 0.000 0.988 309 V HN 0.468 nan 8.190 nan 0.000 0.473 310 R N 4.063 124.523 120.500 -0.066 0.000 2.393 310 R HA 0.663 5.010 4.340 0.013 0.000 0.310 310 R C -1.482 174.801 176.300 -0.028 0.000 0.968 310 R CA -0.295 55.582 56.100 -0.372 0.000 0.867 310 R CB 1.387 31.021 30.300 -1.109 0.000 1.124 310 R HN 0.636 nan 8.270 nan 0.000 0.450 311 Y N -0.459 119.992 120.300 0.252 0.000 2.669 311 Y HA 0.750 5.308 4.550 0.014 0.000 0.335 311 Y C 0.652 176.565 175.900 0.021 0.000 1.116 311 Y CA -0.938 57.218 58.100 0.093 0.000 1.081 311 Y CB 2.518 40.975 38.460 -0.006 0.000 1.297 311 Y HN 0.686 nan 8.280 nan 0.000 0.484 312 G N -0.089 108.684 108.800 -0.046 0.000 2.680 312 G HA2 0.713 4.680 3.960 0.013 0.000 0.290 312 G HA3 0.713 4.680 3.960 0.013 0.000 0.290 312 G C -1.774 172.468 174.900 -1.097 0.000 1.355 312 G CA -0.668 44.110 45.100 -0.536 0.000 0.903 312 G HN 0.463 nan 8.290 nan 0.000 0.474 313 Q N -1.609 117.280 119.800 -1.518 0.000 2.943 313 Q HA 0.271 4.619 4.340 0.013 0.000 0.328 313 Q C 1.673 176.957 176.000 -1.193 0.000 0.934 313 Q CA -0.432 54.480 55.803 -1.485 0.000 0.782 313 Q CB 1.858 29.812 28.738 -1.307 0.000 1.470 313 Q HN 0.838 nan 8.270 nan 0.000 0.503 314 C N -0.462 118.712 119.300 -0.210 0.000 2.388 314 C HA -0.142 4.326 4.460 0.013 0.000 0.277 314 C C 2.204 177.200 174.990 0.010 0.000 1.210 314 C CA 1.539 60.700 59.018 0.238 0.000 1.743 314 C CB -1.680 26.556 27.740 0.827 0.000 2.047 314 C HN 1.004 nan 8.230 nan 0.000 0.458 315 W N 2.071 123.394 121.300 0.038 0.000 2.374 315 W HA 0.097 4.763 4.660 0.010 0.000 0.288 315 W C 1.818 178.116 176.519 -0.369 0.000 1.218 315 W CA 1.326 58.593 57.345 -0.130 0.000 1.245 315 W CB -1.150 28.233 29.460 -0.128 0.000 1.126 315 W HN 0.216 nan 8.180 nan 0.000 0.545 316 V N 1.291 120.452 119.914 -1.255 0.000 2.307 316 V HA -0.292 3.836 4.120 0.013 0.000 0.245 316 V C 2.359 178.147 176.094 -0.510 0.000 1.045 316 V CA 1.874 63.624 62.300 -0.916 0.000 1.024 316 V CB -1.184 30.094 31.823 -0.908 0.000 0.651 316 V HN 0.073 nan 8.190 nan 0.000 0.449 317 F N 1.251 120.989 119.950 -0.352 0.000 2.095 317 F HA -0.193 4.341 4.527 0.012 0.000 0.298 317 F C 2.541 178.250 175.800 -0.151 0.000 1.104 317 F CA 1.196 59.071 58.000 -0.209 0.000 1.232 317 F CB -1.603 37.321 39.000 -0.128 0.000 0.987 317 F HN 0.123 nan 8.300 nan 0.000 0.475 318 A N 0.189 123.039 122.820 0.050 0.000 1.940 318 A HA -0.102 4.226 4.320 0.013 0.000 0.219 318 A C 2.606 180.138 177.584 -0.087 0.000 1.176 318 A CA 1.953 54.010 52.037 0.032 0.000 0.631 318 A CB -1.542 17.469 19.000 0.018 0.000 0.814 318 A HN 0.425 nan 8.150 nan 0.000 0.446 319 G N -0.883 107.677 108.800 -0.400 0.000 2.394 319 G HA2 -0.019 3.949 3.960 0.013 0.000 0.215 319 G HA3 -0.019 3.949 3.960 0.013 0.000 0.215 319 G C 1.488 176.377 174.900 -0.019 0.000 1.165 319 G CA 1.051 45.815 45.100 -0.560 0.000 0.784 319 G HN 0.304 nan 8.290 nan 0.000 0.535 320 V N 0.393 120.332 119.914 0.040 0.000 2.343 320 V HA -0.116 4.012 4.120 0.013 0.000 0.247 320 V C 2.338 178.560 176.094 0.212 0.000 1.051 320 V CA 1.630 64.024 62.300 0.156 0.000 1.036 320 V CB -0.580 31.291 31.823 0.081 0.000 0.654 320 V HN 0.325 nan 8.190 nan 0.000 0.451 321 F N 1.715 121.667 119.950 0.004 0.000 2.113 321 F HA -0.148 4.387 4.527 0.012 0.000 0.297 321 F C 2.171 178.012 175.800 0.068 0.000 1.103 321 F CA 1.909 59.926 58.000 0.029 0.000 1.248 321 F CB -0.732 38.263 39.000 -0.007 0.000 0.999 321 F HN 0.192 nan 8.300 nan 0.000 0.475 322 N N -0.896 117.812 118.700 0.013 0.000 2.348 322 N HA -0.151 4.597 4.740 0.013 0.000 0.185 322 N C 1.634 176.990 175.510 -0.257 0.000 1.019 322 N CA 1.656 54.565 53.050 -0.234 0.000 0.880 322 N CB -0.149 38.109 38.487 -0.381 0.000 0.965 322 N HN 0.254 nan 8.380 nan 0.000 0.437 323 T N -0.909 113.621 114.554 -0.039 0.000 2.770 323 T HA -0.035 4.323 4.350 0.013 0.000 0.258 323 T C 1.393 176.114 174.700 0.035 0.000 1.039 323 T CA 0.591 62.706 62.100 0.024 0.000 1.143 323 T CB -0.401 68.573 68.868 0.177 0.000 0.866 323 T HN 0.272 nan 8.240 nan 0.000 0.428 324 F N 1.804 121.721 119.950 -0.055 0.000 2.120 324 F HA -0.118 4.415 4.527 0.011 0.000 0.300 324 F C 1.799 177.520 175.800 -0.132 0.000 1.095 324 F CA 1.331 59.305 58.000 -0.044 0.000 1.249 324 F CB -0.351 38.667 39.000 0.029 0.000 0.995 324 F HN 0.080 nan 8.300 nan 0.000 0.480 325 L N -0.386 120.709 121.223 -0.214 0.000 2.023 325 L HA -0.133 4.215 4.340 0.013 0.000 0.205 325 L C 2.689 179.441 176.870 -0.197 0.000 1.073 325 L CA 1.293 55.947 54.840 -0.310 0.000 0.745 325 L CB -0.743 41.093 42.059 -0.371 0.000 0.900 325 L HN -0.030 nan 8.230 nan 0.000 0.435 326 R N -0.701 119.702 120.500 -0.163 0.000 2.091 326 R HA -0.211 4.136 4.340 0.013 0.000 0.238 326 R C 2.484 178.762 176.300 -0.036 0.000 1.136 326 R CA 1.729 57.772 56.100 -0.095 0.000 0.959 326 R CB -0.892 29.311 30.300 -0.162 0.000 0.856 326 R HN 0.451 nan 8.270 nan 0.000 0.437 327 C N 0.862 120.118 119.300 -0.073 0.000 2.413 327 C HA -0.079 4.388 4.460 0.013 0.000 0.276 327 C C 2.303 177.393 174.990 0.167 0.000 1.248 327 C CA 0.841 59.880 59.018 0.036 0.000 1.742 327 C CB -0.867 26.885 27.740 0.019 0.000 2.017 327 C HN 0.429 nan 8.230 nan 0.000 0.481 328 L N -0.088 121.158 121.223 0.039 0.000 2.509 328 L HA 0.255 4.602 4.340 0.013 0.000 0.222 328 L C 1.990 179.039 176.870 0.300 0.000 1.123 328 L CA 1.058 55.975 54.840 0.128 0.000 0.856 328 L CB -0.460 41.628 42.059 0.048 0.000 0.985 328 L HN 0.605 nan 8.230 nan 0.000 0.456 329 G N 0.480 109.417 108.800 0.228 0.000 2.184 329 G HA2 -0.203 3.765 3.960 0.013 0.000 0.206 329 G HA3 -0.203 3.765 3.960 0.013 0.000 0.206 329 G C 0.147 175.139 174.900 0.153 0.000 0.995 329 G CA -0.552 44.720 45.100 0.287 0.000 0.651 329 G HN 0.195 nan 8.290 nan 0.000 0.511 330 I N 3.204 123.758 120.570 -0.027 0.000 2.325 330 I HA 0.295 4.473 4.170 0.013 0.000 0.291 330 I C -1.747 174.341 176.117 -0.048 0.000 1.019 330 I CA -2.346 58.873 61.300 -0.135 0.000 1.302 330 I CB 1.367 39.173 38.000 -0.324 0.000 1.401 330 I HN -0.110 nan 8.210 nan 0.000 0.485 331 P HA 0.112 nan 4.420 nan 0.000 0.264 331 P C -0.691 176.719 177.300 0.183 0.000 1.236 331 P CA 0.120 63.250 63.100 0.049 0.000 0.811 331 P CB 0.655 32.301 31.700 -0.090 0.000 0.840 332 A N 5.125 128.038 122.820 0.154 0.000 2.346 332 A HA 0.940 5.268 4.320 0.013 0.000 0.313 332 A C 0.046 177.657 177.584 0.045 0.000 1.140 332 A CA -0.773 51.342 52.037 0.129 0.000 0.826 332 A CB 1.576 20.533 19.000 -0.071 0.000 1.332 332 A HN 0.647 nan 8.150 nan 0.000 0.457 333 R N -0.160 120.287 120.500 -0.087 0.000 2.664 333 R HA 0.570 4.918 4.340 0.013 0.000 0.260 333 R C -2.023 174.197 176.300 -0.134 0.000 1.062 333 R CA -0.708 55.310 56.100 -0.137 0.000 0.902 333 R CB 0.618 30.738 30.300 -0.299 0.000 1.258 333 R HN 0.476 nan 8.270 nan 0.000 0.465 334 I N 2.471 123.004 120.570 -0.061 0.000 2.365 334 I HA 0.344 4.521 4.170 0.013 0.000 0.291 334 I C -0.301 175.721 176.117 -0.159 0.000 1.004 334 I CA -1.118 60.141 61.300 -0.070 0.000 1.311 334 I CB 1.809 39.809 38.000 0.000 0.000 1.401 334 I HN 0.306 nan 8.210 nan 0.000 0.491 335 V N 5.011 124.732 119.914 -0.321 0.000 2.628 335 V HA 0.441 4.569 4.120 0.013 0.000 0.306 335 V C -0.039 175.642 176.094 -0.688 0.000 1.045 335 V CA -0.403 61.581 62.300 -0.526 0.000 0.905 335 V CB 2.164 33.579 31.823 -0.681 0.000 0.997 335 V HN 0.729 nan 8.190 nan 0.000 0.436 336 T N 4.308 118.507 114.554 -0.592 0.000 2.812 336 T HA 0.347 4.705 4.350 0.013 0.000 0.282 336 T C -0.388 173.897 174.700 -0.692 0.000 0.990 336 T CA -0.452 61.314 62.100 -0.557 0.000 0.960 336 T CB 0.733 69.382 68.868 -0.364 0.000 0.948 336 T HN 0.703 nan 8.240 nan 0.000 0.438 337 N N 2.394 120.698 118.700 -0.660 0.000 2.408 337 N HA 0.330 5.077 4.740 0.013 0.000 0.280 337 N C -1.328 173.988 175.510 -0.323 0.000 1.002 337 N CA -0.460 52.312 53.050 -0.464 0.000 0.907 337 N CB 0.944 39.252 38.487 -0.300 0.000 1.161 337 N HN 0.425 nan 8.380 nan 0.000 0.488 338 Y N 3.272 123.535 120.300 -0.062 0.000 2.313 338 Y HA 0.314 4.872 4.550 0.013 0.000 0.332 338 Y C -0.208 175.666 175.900 -0.043 0.000 1.071 338 Y CA -0.256 57.769 58.100 -0.125 0.000 1.169 338 Y CB 0.386 38.657 38.460 -0.315 0.000 1.192 338 Y HN 0.445 nan 8.280 nan 0.000 0.487 339 F N 1.055 121.143 119.950 0.229 0.000 2.563 339 F HA -0.201 4.334 4.527 0.014 0.000 0.351 339 F C 0.203 176.090 175.800 0.143 0.000 1.086 339 F CA 0.276 58.349 58.000 0.122 0.000 1.174 339 F CB -1.676 37.216 39.000 -0.180 0.000 1.590 339 F HN 0.330 nan 8.300 nan 0.000 0.808 340 S N 0.710 116.631 115.700 0.369 0.000 2.438 340 S HA 0.795 5.272 4.470 0.013 0.000 0.316 340 S C 0.301 175.020 174.600 0.198 0.000 1.084 340 S CA -0.206 58.157 58.200 0.272 0.000 1.107 340 S CB 1.610 64.999 63.200 0.314 0.000 0.981 340 S HN 1.104 nan 8.310 nan 0.000 0.466 341 A N 4.164 127.069 122.820 0.141 0.000 2.993 341 A HA 0.210 4.538 4.320 0.013 0.000 0.281 341 A C 0.312 177.880 177.584 -0.027 0.000 1.847 341 A CA 0.000 52.085 52.037 0.079 0.000 1.470 341 A CB -1.253 17.779 19.000 0.053 0.000 1.028 341 A HN 0.986 nan 8.150 nan 0.000 0.604 342 H N 0.984 119.860 119.070 -0.324 0.000 2.607 342 H HA 0.217 4.781 4.556 0.013 0.000 0.367 342 H C 0.575 175.758 175.328 -0.242 0.000 1.181 342 H CA 0.785 56.521 56.048 -0.519 0.000 1.402 342 H CB 0.502 29.390 29.762 -1.458 0.000 1.474 342 H HN 0.724 nan 8.280 nan 0.000 0.596 343 D N 1.344 121.375 120.400 -0.615 0.000 3.076 343 D HA -0.253 4.395 4.640 0.013 0.000 0.218 343 D C 0.727 176.945 176.300 -0.136 0.000 1.156 343 D CA 1.045 54.851 54.000 -0.324 0.000 0.921 343 D CB -1.371 39.343 40.800 -0.142 0.000 1.113 343 D HN 0.818 nan 8.370 nan 0.000 0.418 344 N N 1.310 119.948 118.700 -0.103 0.000 2.417 344 N HA -0.203 4.544 4.740 0.013 0.000 0.187 344 N C 0.731 176.271 175.510 0.049 0.000 1.027 344 N CA 1.517 54.559 53.050 -0.013 0.000 0.891 344 N CB -0.115 38.368 38.487 -0.006 0.000 0.956 344 N HN 0.329 nan 8.380 nan 0.000 0.442 345 D N -0.920 119.550 120.400 0.116 0.000 2.792 345 D HA -0.325 4.323 4.640 0.013 0.000 0.231 345 D C 0.366 176.796 176.300 0.217 0.000 1.160 345 D CA 1.084 55.218 54.000 0.223 0.000 0.697 345 D CB -1.312 39.543 40.800 0.091 0.000 1.070 345 D HN 0.719 nan 8.370 nan 0.000 0.426 346 A N -1.275 121.614 122.820 0.115 0.000 3.172 346 A HA -0.301 4.027 4.320 0.013 0.000 0.263 346 A C 0.359 177.916 177.584 -0.046 0.000 1.215 346 A CA 1.359 53.316 52.037 -0.133 0.000 1.065 346 A CB -1.517 17.265 19.000 -0.363 0.000 1.148 346 A HN 0.532 nan 8.150 nan 0.000 0.904 347 N N 0.011 118.711 118.700 -0.000 0.000 2.520 347 N HA 0.444 5.192 4.740 0.013 0.000 0.273 347 N C 0.718 176.226 175.510 -0.002 0.000 1.155 347 N CA 0.027 53.075 53.050 -0.004 0.000 0.967 347 N CB 0.792 39.278 38.487 -0.002 0.000 1.092 347 N HN 0.463 nan 8.380 nan 0.000 0.457 348 L N 1.410 122.634 121.223 0.002 0.000 2.688 348 L HA 0.162 4.509 4.340 0.013 0.000 0.234 348 L C 0.166 177.026 176.870 -0.017 0.000 1.192 348 L CA 0.369 55.212 54.840 0.006 0.000 0.984 348 L CB -0.225 41.857 42.059 0.038 0.000 1.232 348 L HN 0.328 nan 8.230 nan 0.000 0.465 349 Q N 0.584 120.366 119.800 -0.029 0.000 2.305 349 Q HA 0.494 4.842 4.340 0.013 0.000 0.271 349 Q C -0.881 175.078 176.000 -0.068 0.000 1.046 349 Q CA -0.528 55.242 55.803 -0.055 0.000 0.798 349 Q CB 3.167 31.866 28.738 -0.066 0.000 1.286 349 Q HN 0.038 nan 8.270 nan 0.000 0.435 350 M N 1.929 121.474 119.600 -0.092 0.000 2.180 350 M HA 0.341 4.829 4.480 0.013 0.000 0.350 350 M C -1.083 175.097 176.300 -0.201 0.000 1.125 350 M CA -0.546 54.694 55.300 -0.101 0.000 1.031 350 M CB 1.264 33.825 32.600 -0.066 0.000 1.623 350 M HN 0.505 nan 8.290 nan 0.000 0.451 351 D N 4.033 124.299 120.400 -0.223 0.000 2.317 351 D HA 0.377 5.024 4.640 0.013 0.000 0.234 351 D C -0.355 175.660 176.300 -0.475 0.000 1.112 351 D CA -0.100 53.633 54.000 -0.444 0.000 0.840 351 D CB 1.275 41.762 40.800 -0.522 0.000 1.078 351 D HN 0.278 nan 8.370 nan 0.000 0.486 352 I N 3.389 123.639 120.570 -0.532 0.000 2.354 352 I HA 0.248 4.426 4.170 0.013 0.000 0.286 352 I C -0.279 175.617 176.117 -0.367 0.000 1.007 352 I CA -0.698 60.417 61.300 -0.308 0.000 1.167 352 I CB 0.254 38.129 38.000 -0.209 0.000 1.320 352 I HN 0.106 nan 8.210 nan 0.000 0.458 353 F N 6.298 126.240 119.950 -0.013 0.000 2.404 353 F HA 0.337 4.872 4.527 0.013 0.000 0.358 353 F C 0.307 176.094 175.800 -0.022 0.000 1.120 353 F CA -0.534 57.465 58.000 -0.002 0.000 1.144 353 F CB 0.864 39.864 39.000 0.000 0.000 1.133 353 F HN 0.183 nan 8.300 nan 0.000 0.495 354 L N 2.813 124.144 121.223 0.180 0.000 2.399 354 L HA 0.332 4.679 4.340 0.013 0.000 0.266 354 L C 0.323 177.230 176.870 0.062 0.000 1.114 354 L CA -0.543 54.338 54.840 0.069 0.000 0.804 354 L CB 0.931 43.026 42.059 0.061 0.000 1.146 354 L HN 0.567 nan 8.230 nan 0.000 0.451 355 E N 0.322 120.507 120.200 -0.024 0.000 2.292 355 E HA 0.165 4.522 4.350 0.013 0.000 0.258 355 E C 0.657 177.239 176.600 -0.030 0.000 1.115 355 E CA -0.414 55.963 56.400 -0.038 0.000 0.929 355 E CB 0.812 30.454 29.700 -0.097 0.000 1.161 355 E HN 0.523 nan 8.360 nan 0.000 0.453 356 E N 0.547 120.730 120.200 -0.029 0.000 2.118 356 E HA -0.221 4.136 4.350 0.013 0.000 0.195 356 E C 1.040 177.634 176.600 -0.010 0.000 0.992 356 E CA 1.859 58.252 56.400 -0.013 0.000 0.804 356 E CB -0.071 29.620 29.700 -0.015 0.000 0.741 356 E HN 0.519 nan 8.360 nan 0.000 0.458 357 D N -1.714 118.664 120.400 -0.036 0.000 2.347 357 D HA 0.078 4.726 4.640 0.013 0.000 0.213 357 D C 1.174 177.482 176.300 0.012 0.000 0.985 357 D CA 0.775 54.775 54.000 -0.001 0.000 0.879 357 D CB 0.415 41.218 40.800 0.006 0.000 0.919 357 D HN 0.208 nan 8.370 nan 0.000 0.526 358 G N -0.465 108.286 108.800 -0.082 0.000 2.173 358 G HA2 -0.203 3.764 3.960 0.013 0.000 0.142 358 G HA3 -0.203 3.764 3.960 0.013 0.000 0.142 358 G C -0.444 174.304 174.900 -0.252 0.000 1.019 358 G CA -0.670 44.394 45.100 -0.061 0.000 0.699 358 G HN 0.174 nan 8.290 nan 0.000 0.495 359 N N 0.675 119.155 118.700 -0.367 0.000 2.472 359 N HA 0.411 5.159 4.740 0.013 0.000 0.277 359 N C 0.575 175.944 175.510 -0.234 0.000 1.081 359 N CA -0.182 52.633 53.050 -0.392 0.000 0.973 359 N CB 1.928 40.156 38.487 -0.432 0.000 1.105 359 N HN 0.028 nan 8.380 nan 0.000 0.470 360 V N 3.310 123.065 119.914 -0.265 0.000 2.434 360 V HA -0.079 4.048 4.120 0.013 0.000 0.281 360 V C 0.880 176.874 176.094 -0.167 0.000 1.005 360 V CA -0.159 61.966 62.300 -0.291 0.000 1.089 360 V CB -0.318 31.174 31.823 -0.553 0.000 0.978 360 V HN 0.526 nan 8.190 nan 0.000 0.474 361 N N 4.240 122.895 118.700 -0.075 0.000 2.448 361 N HA 0.033 4.781 4.740 0.013 0.000 0.250 361 N C 1.282 176.792 175.510 -0.001 0.000 1.136 361 N CA 0.381 53.415 53.050 -0.027 0.000 0.953 361 N CB 1.179 39.677 38.487 0.018 0.000 1.251 361 N HN 0.722 nan 8.380 nan 0.000 0.502 362 S N 2.479 118.167 115.700 -0.021 0.000 2.555 362 S HA -0.094 4.384 4.470 0.013 0.000 0.230 362 S C 1.601 176.208 174.600 0.011 0.000 0.978 362 S CA 0.439 58.641 58.200 0.003 0.000 0.934 362 S CB 0.108 63.309 63.200 0.001 0.000 0.766 362 S HN 0.462 nan 8.310 nan 0.000 0.533 363 K N 1.022 121.419 120.400 -0.006 0.000 2.062 363 K HA 0.204 4.532 4.320 0.013 0.000 0.205 363 K C 1.605 178.194 176.600 -0.018 0.000 1.051 363 K CA 0.974 57.251 56.287 -0.017 0.000 0.941 363 K CB -0.417 32.061 32.500 -0.037 0.000 0.719 363 K HN 0.301 nan 8.250 nan 0.000 0.440 364 L N 0.142 121.353 121.223 -0.020 0.000 2.221 364 L HA 0.141 4.489 4.340 0.013 0.000 0.202 364 L C 0.418 177.381 176.870 0.155 0.000 1.074 364 L CA 1.080 55.896 54.840 -0.041 0.000 0.795 364 L CB -0.854 41.016 42.059 -0.316 0.000 0.960 364 L HN -0.069 nan 8.230 nan 0.000 0.458 365 T N 2.414 117.113 114.554 0.241 0.000 3.058 365 T HA 0.013 4.371 4.350 0.013 0.000 0.249 365 T C 1.010 175.788 174.700 0.130 0.000 0.949 365 T CA 0.176 62.421 62.100 0.241 0.000 1.204 365 T CB -0.244 68.715 68.868 0.151 0.000 0.963 365 T HN 0.072 nan 8.240 nan 0.000 0.634 366 K N 1.397 121.870 120.400 0.123 0.000 2.438 366 K HA 0.212 4.540 4.320 0.013 0.000 0.205 366 K C -0.260 176.375 176.600 0.058 0.000 1.033 366 K CA -0.242 56.087 56.287 0.070 0.000 1.089 366 K CB 0.812 33.342 32.500 0.049 0.000 0.857 366 K HN 0.400 nan 8.250 nan 0.000 0.522 367 D N 1.438 121.880 120.400 0.070 0.000 2.163 367 D HA 0.246 4.893 4.640 0.013 0.000 0.248 367 D C -0.230 176.115 176.300 0.076 0.000 1.035 367 D CA -0.050 53.988 54.000 0.062 0.000 0.872 367 D CB 1.805 42.633 40.800 0.047 0.000 1.183 367 D HN -0.008 nan 8.370 nan 0.000 0.445 368 S N -0.487 115.273 115.700 0.100 0.000 2.526 368 S HA 0.577 5.055 4.470 0.013 0.000 0.293 368 S C -0.372 174.372 174.600 0.240 0.000 1.092 368 S CA -0.980 57.296 58.200 0.127 0.000 0.980 368 S CB 1.837 65.071 63.200 0.057 0.000 1.048 368 S HN 0.268 nan 8.310 nan 0.000 0.483 369 V N 1.804 121.880 119.914 0.271 0.000 2.427 369 V HA 0.631 4.759 4.120 0.013 0.000 0.286 369 V C -1.114 175.269 176.094 0.482 0.000 1.034 369 V CA -0.772 61.763 62.300 0.391 0.000 0.893 369 V CB 0.065 32.088 31.823 0.334 0.000 0.982 369 V HN 0.900 nan 8.190 nan 0.000 0.452 370 W N 5.131 126.525 121.300 0.157 0.000 2.251 370 W HA 0.379 5.046 4.660 0.012 0.000 0.327 370 W C 1.397 178.065 176.519 0.247 0.000 1.361 370 W CA -0.146 57.266 57.345 0.110 0.000 1.234 370 W CB -0.403 29.064 29.460 0.012 0.000 1.212 370 W HN 0.677 nan 8.180 nan 0.000 0.557 371 N N 1.376 120.312 118.700 0.393 0.000 2.137 371 N HA -0.175 4.573 4.740 0.013 0.000 0.190 371 N C -0.287 175.476 175.510 0.422 0.000 1.017 371 N CA 1.554 54.843 53.050 0.398 0.000 0.859 371 N CB -0.253 38.468 38.487 0.389 0.000 1.002 371 N HN 0.515 nan 8.380 nan 0.000 0.428 372 Y N -3.419 117.132 120.300 0.420 0.000 2.641 372 Y HA 0.537 5.095 4.550 0.012 0.000 0.333 372 Y C -1.287 174.923 175.900 0.517 0.000 1.174 372 Y CA -1.305 56.927 58.100 0.219 0.000 1.057 372 Y CB 0.790 39.242 38.460 -0.013 0.000 1.322 372 Y HN 0.005 nan 8.280 nan 0.000 0.457 373 H N 1.347 120.622 119.070 0.342 0.000 2.954 373 H HA 0.667 5.231 4.556 0.013 0.000 0.361 373 H C -1.729 173.712 175.328 0.189 0.000 1.122 373 H CA -0.885 55.381 56.048 0.363 0.000 1.217 373 H CB 1.797 31.688 29.762 0.215 0.000 1.776 373 H HN 1.050 nan 8.280 nan 0.000 0.533 374 C N 4.960 124.340 119.300 0.132 0.000 2.303 374 C HA 0.414 4.882 4.460 0.013 0.000 0.326 374 C C -0.739 174.145 174.990 -0.177 0.000 1.285 374 C CA -0.630 58.323 59.018 -0.108 0.000 1.675 374 C CB -1.272 26.553 27.740 0.143 0.000 2.289 374 C HN 0.729 nan 8.230 nan 0.000 0.512 375 W N 2.392 123.562 121.300 -0.216 0.000 3.031 375 W HA 0.652 5.319 4.660 0.013 0.000 0.337 375 W C -1.034 175.465 176.519 -0.034 0.000 1.187 375 W CA -1.088 56.172 57.345 -0.142 0.000 1.166 375 W CB 0.010 29.357 29.460 -0.189 0.000 1.437 375 W HN 0.522 nan 8.180 nan 0.000 0.551 376 N N 1.080 120.010 118.700 0.384 0.000 2.445 376 N HA 0.361 5.108 4.740 0.013 0.000 0.264 376 N C -1.033 174.690 175.510 0.356 0.000 1.227 376 N CA -0.433 52.798 53.050 0.301 0.000 0.963 376 N CB 0.715 39.449 38.487 0.412 0.000 1.188 376 N HN 0.493 nan 8.380 nan 0.000 0.491 377 E N -0.057 120.241 120.200 0.164 0.000 2.263 377 E HA 0.580 4.937 4.350 0.013 0.000 0.268 377 E C -1.477 175.286 176.600 0.272 0.000 0.884 377 E CA -0.798 55.687 56.400 0.143 0.000 0.766 377 E CB 1.794 31.366 29.700 -0.213 0.000 1.196 377 E HN 0.569 nan 8.360 nan 0.000 0.416 378 A N 3.674 126.771 122.820 0.462 0.000 2.343 378 A HA 0.391 4.718 4.320 0.013 0.000 0.316 378 A C -1.327 176.512 177.584 0.426 0.000 1.104 378 A CA -0.668 51.635 52.037 0.444 0.000 0.768 378 A CB 0.980 20.082 19.000 0.170 0.000 1.213 378 A HN 0.702 nan 8.150 nan 0.000 0.456 379 W N 5.336 126.551 121.300 -0.140 0.000 2.322 379 W HA 0.605 5.272 4.660 0.013 0.000 0.307 379 W C -0.854 175.474 176.519 -0.319 0.000 1.220 379 W CA -0.112 56.874 57.345 -0.599 0.000 1.210 379 W CB 1.092 29.836 29.460 -1.194 0.000 1.223 379 W HN 0.861 nan 8.180 nan 0.000 0.511 380 M N 3.789 122.979 119.600 -0.683 0.000 2.822 380 M HA 0.233 4.720 4.480 0.013 0.000 0.275 380 M C -1.070 174.939 176.300 -0.484 0.000 1.084 380 M CA -0.689 54.350 55.300 -0.436 0.000 0.814 380 M CB 1.354 33.831 32.600 -0.205 0.000 1.693 380 M HN 0.213 nan 8.290 nan 0.000 0.531 381 T N -0.171 114.203 114.554 -0.300 0.000 2.913 381 T HA 0.621 4.978 4.350 0.013 0.000 0.287 381 T C -0.166 174.445 174.700 -0.148 0.000 1.008 381 T CA -0.845 61.110 62.100 -0.241 0.000 1.067 381 T CB 1.032 69.813 68.868 -0.145 0.000 0.996 381 T HN 0.665 nan 8.240 nan 0.000 0.513 382 R N 2.943 123.365 120.500 -0.130 0.000 2.312 382 R HA 0.278 4.626 4.340 0.013 0.000 0.310 382 R C -2.007 174.246 176.300 -0.078 0.000 1.064 382 R CA -2.091 53.964 56.100 -0.075 0.000 0.983 382 R CB 1.339 31.605 30.300 -0.056 0.000 1.139 382 R HN 0.618 nan 8.270 nan 0.000 0.536 383 P HA 0.007 nan 4.420 nan 0.000 0.255 383 P C 0.065 177.332 177.300 -0.056 0.000 1.248 383 P CA 0.374 63.440 63.100 -0.057 0.000 0.807 383 P CB 0.496 32.178 31.700 -0.030 0.000 1.150 384 D N -0.509 119.860 120.400 -0.052 0.000 2.349 384 D HA 0.039 4.687 4.640 0.013 0.000 0.215 384 D C 0.773 177.005 176.300 -0.113 0.000 1.016 384 D CA 0.252 54.216 54.000 -0.061 0.000 0.870 384 D CB -0.279 40.499 40.800 -0.036 0.000 0.917 384 D HN 0.213 nan 8.370 nan 0.000 0.524 385 L N -1.059 120.077 121.223 -0.145 0.000 2.230 385 L HA 0.525 4.872 4.340 0.013 0.000 0.255 385 L C -2.190 174.536 176.870 -0.240 0.000 1.039 385 L CA -2.536 52.156 54.840 -0.247 0.000 0.846 385 L CB 1.131 43.022 42.059 -0.280 0.000 1.419 385 L HN -0.360 nan 8.230 nan 0.000 0.435 386 P HA -0.035 nan 4.420 nan 0.000 0.276 386 P C -1.023 176.024 177.300 -0.422 0.000 1.264 386 P CA -0.225 62.659 63.100 -0.360 0.000 0.815 386 P CB 0.473 31.904 31.700 -0.448 0.000 1.121 387 V N -0.466 119.183 119.914 -0.442 0.000 2.539 387 V HA 0.620 4.747 4.120 0.013 0.000 0.292 387 V C 0.865 176.583 176.094 -0.625 0.000 1.045 387 V CA 0.996 63.050 62.300 -0.410 0.000 0.945 387 V CB 0.282 31.951 31.823 -0.257 0.000 0.993 387 V HN 0.867 nan 8.190 nan 0.000 0.464 388 G N 4.816 113.282 108.800 -0.557 0.000 2.260 388 G HA2 -0.198 3.769 3.960 0.013 0.000 0.179 388 G HA3 -0.198 3.769 3.960 0.013 0.000 0.179 388 G C 0.057 174.657 174.900 -0.500 0.000 1.002 388 G CA 0.293 45.044 45.100 -0.581 0.000 0.677 388 G HN 0.710 nan 8.290 nan 0.000 0.486 389 F N 2.129 121.958 119.950 -0.201 0.000 2.678 389 F HA 0.488 5.022 4.527 0.013 0.000 0.305 389 F C 1.901 177.579 175.800 -0.205 0.000 1.090 389 F CA -0.575 57.313 58.000 -0.187 0.000 1.272 389 F CB -0.078 38.781 39.000 -0.235 0.000 1.060 389 F HN 0.294 nan 8.300 nan 0.000 0.576 390 G N -0.388 108.340 108.800 -0.120 0.000 2.651 390 G HA2 0.463 4.431 3.960 0.013 0.000 0.260 390 G HA3 0.463 4.431 3.960 0.013 0.000 0.260 390 G C 0.604 175.248 174.900 -0.427 0.000 1.216 390 G CA 0.390 45.336 45.100 -0.257 0.000 0.913 390 G HN 0.618 nan 8.290 nan 0.000 0.535 391 G N -1.252 107.059 108.800 -0.814 0.000 2.456 391 G HA2 -0.156 3.811 3.960 0.013 0.000 0.204 391 G HA3 -0.156 3.811 3.960 0.013 0.000 0.204 391 G C -0.467 173.866 174.900 -0.944 0.000 1.193 391 G CA -0.348 43.869 45.100 -1.471 0.000 1.220 391 G HN 0.761 nan 8.290 nan 0.000 0.565 392 W N 2.530 123.632 121.300 -0.330 0.000 2.368 392 W HA 0.567 5.234 4.660 0.012 0.000 0.316 392 W C 0.281 176.761 176.519 -0.065 0.000 1.375 392 W CA -0.401 56.932 57.345 -0.019 0.000 1.261 392 W CB 0.895 30.422 29.460 0.111 0.000 1.298 392 W HN 0.268 nan 8.180 nan 0.000 0.539 393 Q N 3.304 123.292 119.800 0.315 0.000 2.333 393 Q HA 0.435 4.783 4.340 0.013 0.000 0.268 393 Q C -0.244 175.894 176.000 0.231 0.000 1.007 393 Q CA -0.657 55.256 55.803 0.184 0.000 0.810 393 Q CB 1.708 30.519 28.738 0.120 0.000 1.264 393 Q HN 0.539 nan 8.270 nan 0.000 0.452 394 A N 2.737 125.669 122.820 0.188 0.000 2.404 394 A HA 0.476 4.804 4.320 0.013 0.000 0.273 394 A C -0.159 177.497 177.584 0.120 0.000 1.144 394 A CA -0.297 51.871 52.037 0.218 0.000 0.806 394 A CB 0.296 19.397 19.000 0.169 0.000 1.080 394 A HN 0.435 nan 8.150 nan 0.000 0.509 395 V N 3.661 123.691 119.914 0.194 0.000 2.407 395 V HA 0.325 4.453 4.120 0.013 0.000 0.291 395 V C -0.816 175.342 176.094 0.106 0.000 1.018 395 V CA -0.630 61.751 62.300 0.135 0.000 0.842 395 V CB 1.730 33.719 31.823 0.275 0.000 0.996 395 V HN 0.905 nan 8.190 nan 0.000 0.426 396 D N 2.947 123.329 120.400 -0.029 0.000 2.441 396 D HA 0.274 4.922 4.640 0.013 0.000 0.231 396 D C 1.071 177.343 176.300 -0.046 0.000 1.073 396 D CA -0.239 53.769 54.000 0.013 0.000 0.850 396 D CB 1.833 42.588 40.800 -0.075 0.000 1.062 396 D HN 0.518 nan 8.370 nan 0.000 0.524 397 S N 1.342 116.977 115.700 -0.109 0.000 2.603 397 S HA 0.008 4.486 4.470 0.013 0.000 0.220 397 S C 0.696 175.194 174.600 -0.170 0.000 0.967 397 S CA -0.250 57.796 58.200 -0.257 0.000 0.920 397 S CB -0.302 62.609 63.200 -0.482 0.000 0.773 397 S HN 0.367 nan 8.310 nan 0.000 0.529 398 T N 5.906 120.519 114.554 0.098 0.000 2.739 398 T HA 0.319 4.677 4.350 0.013 0.000 0.298 398 T C -2.435 172.379 174.700 0.191 0.000 0.929 398 T CA -1.374 60.878 62.100 0.253 0.000 1.014 398 T CB 0.740 69.897 68.868 0.482 0.000 0.914 398 T HN 0.276 nan 8.240 nan 0.000 0.509 399 P HA 0.048 nan 4.420 nan 0.000 0.269 399 P C -0.587 176.738 177.300 0.041 0.000 1.211 399 P CA -0.083 63.029 63.100 0.019 0.000 0.781 399 P CB 0.584 32.248 31.700 -0.059 0.000 0.877 400 Q N -1.303 118.421 119.800 -0.128 0.000 2.702 400 Q HA 0.338 4.686 4.340 0.013 0.000 0.289 400 Q C -1.238 174.569 176.000 -0.321 0.000 0.923 400 Q CA -1.012 54.634 55.803 -0.263 0.000 0.787 400 Q CB 0.736 29.167 28.738 -0.512 0.000 1.476 400 Q HN 0.216 nan 8.270 nan 0.000 0.402 401 E N 2.198 122.199 120.200 -0.331 0.000 2.220 401 E HA 0.140 4.498 4.350 0.013 0.000 0.272 401 E C -0.799 175.376 176.600 -0.709 0.000 1.099 401 E CA 0.206 56.388 56.400 -0.363 0.000 0.907 401 E CB 0.435 30.001 29.700 -0.224 0.000 1.022 401 E HN 0.608 nan 8.360 nan 0.000 0.428 402 N N -0.530 117.685 118.700 -0.808 0.000 2.815 402 N HA 0.104 4.851 4.740 0.013 0.000 0.315 402 N C 0.772 175.993 175.510 -0.482 0.000 1.320 402 N CA -0.460 51.692 53.050 -1.495 0.000 0.846 402 N CB 0.183 38.056 38.487 -1.023 0.000 1.344 402 N HN 0.079 nan 8.380 nan 0.000 0.593 403 S N -1.391 114.254 115.700 -0.092 0.000 2.423 403 S HA -0.250 4.228 4.470 0.013 0.000 0.238 403 S C 0.620 175.241 174.600 0.034 0.000 1.028 403 S CA 1.718 59.966 58.200 0.079 0.000 1.000 403 S CB -0.684 62.612 63.200 0.160 0.000 0.797 403 S HN 0.639 nan 8.310 nan 0.000 0.487 404 D N 1.304 121.723 120.400 0.031 0.000 2.249 404 D HA 0.351 4.998 4.640 0.013 0.000 0.205 404 D C 0.966 177.353 176.300 0.145 0.000 0.962 404 D CA 1.174 55.233 54.000 0.098 0.000 0.860 404 D CB -0.093 40.756 40.800 0.082 0.000 0.955 404 D HN 0.660 nan 8.370 nan 0.000 0.505 405 G N 1.053 109.880 108.800 0.045 0.000 2.721 405 G HA2 -0.011 3.956 3.960 0.013 0.000 0.462 405 G HA3 -0.011 3.956 3.960 0.013 0.000 0.462 405 G C -0.144 174.581 174.900 -0.291 0.000 1.062 405 G CA -0.377 44.671 45.100 -0.087 0.000 1.233 405 G HN 0.160 nan 8.290 nan 0.000 0.545 406 M N -0.139 119.269 119.600 -0.320 0.000 3.459 406 M HA -0.082 4.405 4.480 0.013 0.000 0.169 406 M C -1.127 174.784 176.300 -0.648 0.000 1.383 406 M CA 0.365 55.411 55.300 -0.423 0.000 0.906 406 M CB -1.918 30.444 32.600 -0.397 0.000 1.292 406 M HN 1.389 nan 8.290 nan 0.000 0.585 407 Y N -0.194 120.004 120.300 -0.170 0.000 2.744 407 Y HA 0.744 5.302 4.550 0.012 0.000 0.330 407 Y C 0.200 175.999 175.900 -0.169 0.000 1.263 407 Y CA -0.942 57.061 58.100 -0.162 0.000 1.065 407 Y CB 0.880 39.244 38.460 -0.160 0.000 1.306 407 Y HN 0.534 nan 8.280 nan 0.000 0.459 408 R N -0.215 120.313 120.500 0.047 0.000 2.738 408 R HA 0.503 4.850 4.340 0.013 0.000 0.268 408 R C -1.189 175.071 176.300 -0.067 0.000 1.062 408 R CA -0.216 55.839 56.100 -0.074 0.000 1.158 408 R CB -0.255 29.936 30.300 -0.181 0.000 1.046 408 R HN 0.490 nan 8.270 nan 0.000 0.493 409 C N 3.357 122.615 119.300 -0.071 0.000 2.184 409 C HA 0.506 4.973 4.460 0.013 0.000 0.328 409 C C 1.152 176.121 174.990 -0.035 0.000 1.081 409 C CA -0.441 58.551 59.018 -0.042 0.000 1.533 409 C CB -0.265 27.458 27.740 -0.030 0.000 1.905 409 C HN 0.954 nan 8.230 nan 0.000 0.439 410 G N 4.620 113.391 108.800 -0.049 0.000 3.255 410 G HA2 0.083 4.051 3.960 0.013 0.000 0.249 410 G HA3 0.083 4.051 3.960 0.013 0.000 0.249 410 G C -2.478 172.451 174.900 0.049 0.000 1.269 410 G CA -0.463 44.587 45.100 -0.082 0.000 0.904 410 G HN 0.499 nan 8.290 nan 0.000 0.627 411 P HA 0.283 nan 4.420 nan 0.000 0.258 411 P C -0.403 177.024 177.300 0.211 0.000 1.172 411 P CA 0.858 64.053 63.100 0.158 0.000 0.762 411 P CB 0.589 32.393 31.700 0.174 0.000 0.764 412 A N 3.046 125.942 122.820 0.127 0.000 2.353 412 A HA 0.475 4.803 4.320 0.013 0.000 0.299 412 A C 0.114 177.727 177.584 0.049 0.000 1.089 412 A CA -0.607 51.481 52.037 0.084 0.000 0.736 412 A CB 1.002 20.037 19.000 0.058 0.000 1.195 412 A HN 0.370 nan 8.150 nan 0.000 0.447 413 S N 2.199 117.903 115.700 0.007 0.000 2.509 413 S HA 0.136 4.614 4.470 0.013 0.000 0.287 413 S C 1.370 175.964 174.600 -0.010 0.000 1.248 413 S CA -0.149 58.048 58.200 -0.005 0.000 1.089 413 S CB -0.023 63.147 63.200 -0.050 0.000 0.900 413 S HN 0.830 nan 8.310 nan 0.000 0.496 414 V N 5.927 125.827 119.914 -0.023 0.000 2.490 414 V HA -0.130 3.998 4.120 0.013 0.000 0.250 414 V C 2.709 178.778 176.094 -0.041 0.000 1.061 414 V CA 1.569 63.779 62.300 -0.149 0.000 1.064 414 V CB -0.641 30.981 31.823 -0.335 0.000 0.670 414 V HN 0.786 nan 8.190 nan 0.000 0.461 415 Q N -0.260 119.585 119.800 0.075 0.000 2.124 415 Q HA -0.151 4.197 4.340 0.013 0.000 0.202 415 Q C 2.443 178.635 176.000 0.321 0.000 0.977 415 Q CA 1.875 57.816 55.803 0.230 0.000 0.850 415 Q CB -0.408 28.501 28.738 0.285 0.000 0.901 415 Q HN 0.670 nan 8.270 nan 0.000 0.429 416 A N 1.044 123.933 122.820 0.115 0.000 1.873 416 A HA -0.157 4.171 4.320 0.013 0.000 0.215 416 A C 2.022 179.678 177.584 0.120 0.000 1.186 416 A CA 1.064 53.114 52.037 0.022 0.000 0.616 416 A CB -0.502 18.338 19.000 -0.266 0.000 0.823 416 A HN 0.260 nan 8.150 nan 0.000 0.442 417 I N 0.327 120.956 120.570 0.098 0.000 2.068 417 I HA -0.307 3.871 4.170 0.013 0.000 0.238 417 I C 2.390 178.662 176.117 0.258 0.000 1.046 417 I CA 2.293 63.728 61.300 0.225 0.000 1.306 417 I CB -1.431 36.691 38.000 0.203 0.000 1.023 417 I HN 0.459 nan 8.210 nan 0.000 0.399 418 K N -0.046 120.416 120.400 0.102 0.000 2.173 418 K HA -0.240 4.088 4.320 0.013 0.000 0.207 418 K C 1.815 178.313 176.600 -0.170 0.000 1.046 418 K CA 1.887 58.111 56.287 -0.105 0.000 0.929 418 K CB -0.127 32.214 32.500 -0.265 0.000 0.720 418 K HN 0.472 nan 8.250 nan 0.000 0.453 419 H N -2.468 116.703 119.070 0.168 0.000 2.622 419 H HA 0.227 4.790 4.556 0.013 0.000 0.269 419 H C 1.019 176.326 175.328 -0.035 0.000 0.977 419 H CA 0.630 56.806 56.048 0.214 0.000 1.179 419 H CB 1.386 31.384 29.762 0.394 0.000 1.458 419 H HN 0.468 nan 8.280 nan 0.000 0.531 420 G N 0.288 109.050 108.800 -0.062 0.000 2.195 420 G HA2 -0.289 3.679 3.960 0.013 0.000 0.246 420 G HA3 -0.289 3.679 3.960 0.013 0.000 0.246 420 G C 0.017 174.661 174.900 -0.427 0.000 0.984 420 G CA -0.098 44.775 45.100 -0.378 0.000 0.633 420 G HN 0.491 nan 8.290 nan 0.000 0.525 421 H N 1.638 120.657 119.070 -0.085 0.000 3.460 421 H HA 0.275 4.839 4.556 0.013 0.000 0.238 421 H C 1.896 176.926 175.328 -0.497 0.000 1.752 421 H CA 0.894 56.766 56.048 -0.294 0.000 1.503 421 H CB -0.078 29.567 29.762 -0.195 0.000 1.830 421 H HN 0.536 nan 8.280 nan 0.000 0.614 422 V N -0.737 118.914 119.914 -0.439 0.000 3.573 422 V HA -0.098 4.030 4.120 0.013 0.000 0.270 422 V C 2.041 177.841 176.094 -0.490 0.000 1.221 422 V CA 0.432 62.492 62.300 -0.400 0.000 1.163 422 V CB -1.221 30.384 31.823 -0.364 0.000 0.847 422 V HN 0.653 nan 8.190 nan 0.000 0.468 423 C N -1.755 116.986 119.300 -0.932 0.000 2.522 423 C HA 0.381 4.849 4.460 0.013 0.000 0.271 423 C C 0.691 175.243 174.990 -0.731 0.000 1.425 423 C CA -0.723 57.732 59.018 -0.937 0.000 1.751 423 C CB -2.059 24.783 27.740 -1.497 0.000 1.775 423 C HN 0.373 nan 8.230 nan 0.000 0.557 424 F N 3.103 122.813 119.950 -0.401 0.000 2.388 424 F HA 0.422 4.957 4.527 0.013 0.000 0.358 424 F C 0.804 176.405 175.800 -0.333 0.000 1.122 424 F CA -1.379 56.404 58.000 -0.361 0.000 1.056 424 F CB 0.343 39.087 39.000 -0.427 0.000 1.155 424 F HN 0.319 nan 8.300 nan 0.000 0.461 425 Q N 1.254 120.929 119.800 -0.208 0.000 2.523 425 Q HA 0.154 4.501 4.340 0.013 0.000 0.283 425 Q C -1.335 174.496 176.000 -0.283 0.000 1.140 425 Q CA 0.329 55.893 55.803 -0.398 0.000 0.981 425 Q CB 0.307 28.435 28.738 -1.017 0.000 1.310 425 Q HN 0.459 nan 8.270 nan 0.000 0.483 426 F N 0.185 120.134 119.950 -0.001 0.000 2.450 426 F HA 0.196 4.732 4.527 0.014 0.000 0.332 426 F C 0.133 175.947 175.800 0.024 0.000 1.093 426 F CA -0.719 57.285 58.000 0.007 0.000 1.003 426 F CB 1.431 40.429 39.000 -0.003 0.000 1.151 426 F HN 0.653 nan 8.300 nan 0.000 0.474 427 D N 1.191 121.746 120.400 0.257 0.000 2.792 427 D HA -0.276 4.372 4.640 0.013 0.000 0.231 427 D C 1.405 177.832 176.300 0.211 0.000 1.160 427 D CA 0.849 55.026 54.000 0.295 0.000 0.697 427 D CB -0.943 40.008 40.800 0.252 0.000 1.070 427 D HN 0.664 nan 8.370 nan 0.000 0.426 428 A N -0.005 122.855 122.820 0.067 0.000 1.908 428 A HA -0.121 4.206 4.320 0.013 0.000 0.218 428 A C -0.041 177.509 177.584 -0.056 0.000 1.181 428 A CA 1.693 53.726 52.037 -0.006 0.000 0.627 428 A CB -1.041 17.913 19.000 -0.077 0.000 0.818 428 A HN 0.309 nan 8.150 nan 0.000 0.445 429 P HA -0.136 nan 4.420 nan 0.000 0.216 429 P C 0.904 177.992 177.300 -0.353 0.000 1.150 429 P CA 1.036 63.917 63.100 -0.364 0.000 0.837 429 P CB -0.208 31.101 31.700 -0.651 0.000 0.786 430 F N -0.921 119.028 119.950 -0.001 0.000 2.259 430 F HA -0.074 4.460 4.527 0.013 0.000 0.298 430 F C 2.332 178.080 175.800 -0.086 0.000 1.088 430 F CA 0.951 58.919 58.000 -0.053 0.000 1.358 430 F CB -1.464 37.483 39.000 -0.088 0.000 1.040 430 F HN -0.164 nan 8.300 nan 0.000 0.505 431 V N -0.790 119.150 119.914 0.044 0.000 2.725 431 V HA -0.115 4.012 4.120 0.013 0.000 0.247 431 V C 2.068 178.154 176.094 -0.012 0.000 1.058 431 V CA 0.935 63.174 62.300 -0.100 0.000 1.080 431 V CB -0.585 31.092 31.823 -0.243 0.000 0.713 431 V HN 0.276 nan 8.190 nan 0.000 0.465 432 F N 2.108 122.017 119.950 -0.068 0.000 2.269 432 F HA 0.049 4.584 4.527 0.013 0.000 0.301 432 F C 2.108 177.895 175.800 -0.022 0.000 1.082 432 F CA 1.819 59.804 58.000 -0.025 0.000 1.360 432 F CB -0.423 38.543 39.000 -0.056 0.000 1.041 432 F HN 0.250 nan 8.300 nan 0.000 0.512 433 A N -0.153 122.662 122.820 -0.008 0.000 2.072 433 A HA -0.030 4.298 4.320 0.013 0.000 0.216 433 A C 2.068 179.601 177.584 -0.085 0.000 1.156 433 A CA 0.918 52.909 52.037 -0.077 0.000 0.701 433 A CB -0.572 18.430 19.000 0.004 0.000 0.816 433 A HN 0.471 nan 8.150 nan 0.000 0.458 434 E N -0.007 120.155 120.200 -0.064 0.000 2.268 434 E HA -0.111 4.247 4.350 0.013 0.000 0.195 434 E C 1.685 178.303 176.600 0.029 0.000 0.995 434 E CA 1.627 58.023 56.400 -0.006 0.000 0.836 434 E CB -0.070 29.627 29.700 -0.004 0.000 0.763 434 E HN 0.652 nan 8.360 nan 0.000 0.491 435 V N -2.573 117.313 119.914 -0.046 0.000 3.578 435 V HA 0.260 4.387 4.120 0.013 0.000 0.290 435 V C 0.943 176.955 176.094 -0.137 0.000 1.376 435 V CA 0.095 62.373 62.300 -0.038 0.000 1.083 435 V CB 0.243 32.069 31.823 0.005 0.000 0.911 435 V HN 0.043 nan 8.190 nan 0.000 0.433 436 N N 0.421 118.968 118.700 -0.255 0.000 2.194 436 N HA 0.261 5.008 4.740 0.013 0.000 0.231 436 N C 0.287 175.706 175.510 -0.151 0.000 1.247 436 N CA 0.095 52.972 53.050 -0.288 0.000 0.884 436 N CB 1.196 39.275 38.487 -0.680 0.000 1.146 436 N HN 0.418 nan 8.380 nan 0.000 0.516 437 S N 0.660 116.311 115.700 -0.082 0.000 2.606 437 S HA 0.194 4.671 4.470 0.013 0.000 0.257 437 S C -0.149 174.440 174.600 -0.019 0.000 1.327 437 S CA 0.051 58.229 58.200 -0.038 0.000 0.984 437 S CB 0.914 64.103 63.200 -0.018 0.000 0.941 437 S HN 0.099 nan 8.310 nan 0.000 0.576 438 D N 0.417 120.801 120.400 -0.026 0.000 2.575 438 D HA 0.440 5.088 4.640 0.013 0.000 0.236 438 D C -0.700 175.552 176.300 -0.080 0.000 1.075 438 D CA -0.442 53.538 54.000 -0.032 0.000 0.860 438 D CB 1.323 42.105 40.800 -0.029 0.000 1.475 438 D HN 0.251 nan 8.370 nan 0.000 0.474 439 L N 1.653 122.804 121.223 -0.121 0.000 2.326 439 L HA 0.397 4.745 4.340 0.013 0.000 0.278 439 L C -0.203 176.458 176.870 -0.347 0.000 1.092 439 L CA -0.581 54.097 54.840 -0.269 0.000 0.810 439 L CB 0.774 42.613 42.059 -0.367 0.000 1.153 439 L HN 0.150 nan 8.230 nan 0.000 0.439 440 I N 3.288 123.615 120.570 -0.405 0.000 2.411 440 I HA 0.228 4.405 4.170 0.013 0.000 0.284 440 I C -0.580 175.281 176.117 -0.426 0.000 1.012 440 I CA -0.665 60.439 61.300 -0.326 0.000 1.119 440 I CB 0.997 38.861 38.000 -0.227 0.000 1.261 440 I HN 0.363 nan 8.210 nan 0.000 0.448 441 Y N 6.723 126.965 120.300 -0.096 0.000 2.452 441 Y HA 0.461 5.019 4.550 0.013 0.000 0.348 441 Y C 0.460 176.309 175.900 -0.084 0.000 0.985 441 Y CA -0.192 57.852 58.100 -0.094 0.000 1.214 441 Y CB 0.685 39.122 38.460 -0.037 0.000 1.136 441 Y HN 0.350 nan 8.280 nan 0.000 0.523 442 I N 2.687 123.250 120.570 -0.011 0.000 2.465 442 I HA 0.302 4.480 4.170 0.013 0.000 0.291 442 I C -0.282 175.959 176.117 0.208 0.000 1.014 442 I CA -0.758 60.577 61.300 0.058 0.000 1.093 442 I CB 2.033 40.017 38.000 -0.027 0.000 1.267 442 I HN 0.394 nan 8.210 nan 0.000 0.431 443 T N 5.187 119.865 114.554 0.205 0.000 2.727 443 T HA 0.400 4.757 4.350 0.013 0.000 0.298 443 T C 0.299 175.150 174.700 0.252 0.000 0.942 443 T CA -0.434 61.780 62.100 0.190 0.000 0.997 443 T CB 0.824 69.755 68.868 0.105 0.000 0.917 443 T HN 0.656 nan 8.240 nan 0.000 0.487 444 A N 5.124 128.099 122.820 0.258 0.000 2.666 444 A HA 0.299 4.627 4.320 0.013 0.000 0.312 444 A C 0.697 178.259 177.584 -0.038 0.000 1.471 444 A CA -0.577 51.543 52.037 0.137 0.000 1.134 444 A CB -0.193 18.849 19.000 0.070 0.000 1.129 444 A HN 0.763 nan 8.150 nan 0.000 0.539 445 K N 1.320 121.678 120.400 -0.071 0.000 2.455 445 K HA 0.003 4.331 4.320 0.013 0.000 0.269 445 K C 0.608 177.150 176.600 -0.096 0.000 0.972 445 K CA -0.114 56.133 56.287 -0.066 0.000 0.938 445 K CB 0.623 33.089 32.500 -0.057 0.000 0.931 445 K HN 0.514 nan 8.250 nan 0.000 0.507 446 K N 1.870 122.231 120.400 -0.066 0.000 2.209 446 K HA -0.179 4.148 4.320 0.013 0.000 0.204 446 K C 1.211 177.768 176.600 -0.072 0.000 1.048 446 K CA 2.013 58.262 56.287 -0.064 0.000 0.940 446 K CB -0.267 32.206 32.500 -0.044 0.000 0.729 446 K HN 0.724 nan 8.250 nan 0.000 0.451 447 D N -1.649 118.707 120.400 -0.072 0.000 2.340 447 D HA 0.059 4.707 4.640 0.013 0.000 0.220 447 D C 1.102 177.347 176.300 -0.091 0.000 1.039 447 D CA 0.753 54.712 54.000 -0.068 0.000 0.866 447 D CB 0.521 41.291 40.800 -0.050 0.000 0.913 447 D HN 0.196 nan 8.370 nan 0.000 0.523 448 G N -0.779 107.937 108.800 -0.140 0.000 2.380 448 G HA2 -0.221 3.747 3.960 0.013 0.000 0.197 448 G HA3 -0.221 3.747 3.960 0.013 0.000 0.197 448 G C 0.554 175.278 174.900 -0.293 0.000 1.001 448 G CA -0.033 44.952 45.100 -0.191 0.000 0.668 448 G HN 0.392 nan 8.290 nan 0.000 0.483 449 T N 2.367 116.797 114.554 -0.208 0.000 2.795 449 T HA 0.509 4.867 4.350 0.013 0.000 0.314 449 T C -0.215 174.310 174.700 -0.292 0.000 1.069 449 T CA 0.394 62.389 62.100 -0.174 0.000 1.071 449 T CB 0.766 69.596 68.868 -0.064 0.000 0.988 449 T HN 0.349 nan 8.240 nan 0.000 0.543 450 H N -0.433 118.659 119.070 0.036 0.000 2.771 450 H HA 0.604 5.168 4.556 0.013 0.000 0.361 450 H C -1.131 174.236 175.328 0.065 0.000 1.108 450 H CA -0.602 55.489 56.048 0.072 0.000 1.201 450 H CB 1.827 31.650 29.762 0.102 0.000 1.681 450 H HN 0.423 nan 8.280 nan 0.000 0.534 451 V N 4.126 124.164 119.914 0.206 0.000 2.569 451 V HA 0.338 4.465 4.120 0.013 0.000 0.301 451 V C -0.599 175.564 176.094 0.114 0.000 1.044 451 V CA -0.765 61.610 62.300 0.125 0.000 0.874 451 V CB 1.402 33.275 31.823 0.084 0.000 1.002 451 V HN 0.556 nan 8.190 nan 0.000 0.424 452 V N 4.512 124.475 119.914 0.081 0.000 2.508 452 V HA 0.595 4.723 4.120 0.013 0.000 0.281 452 V C 0.751 176.883 176.094 0.063 0.000 1.041 452 V CA 0.252 62.586 62.300 0.056 0.000 1.016 452 V CB 1.350 33.185 31.823 0.020 0.000 0.984 452 V HN 0.930 nan 8.190 nan 0.000 0.478 453 E N 3.704 123.953 120.200 0.082 0.000 2.201 453 E HA 0.207 4.565 4.350 0.013 0.000 0.193 453 E C 0.433 177.087 176.600 0.091 0.000 0.957 453 E CA 0.487 56.936 56.400 0.081 0.000 0.858 453 E CB 0.442 30.192 29.700 0.083 0.000 0.816 453 E HN 0.906 nan 8.360 nan 0.000 0.475 454 N N -0.584 118.201 118.700 0.141 0.000 2.859 454 N HA 0.175 4.922 4.740 0.013 0.000 0.250 454 N C -2.013 173.598 175.510 0.168 0.000 1.341 454 N CA -0.264 52.884 53.050 0.165 0.000 0.881 454 N CB 2.681 41.291 38.487 0.204 0.000 1.516 454 N HN -0.125 nan 8.380 nan 0.000 0.503 455 V N 1.632 121.616 119.914 0.117 0.000 2.525 455 V HA 0.348 4.475 4.120 0.013 0.000 0.299 455 V C -1.381 174.754 176.094 0.069 0.000 1.034 455 V CA -0.522 61.804 62.300 0.043 0.000 0.863 455 V CB 1.525 33.353 31.823 0.009 0.000 0.999 455 V HN 0.681 nan 8.190 nan 0.000 0.423 456 D N 5.745 126.172 120.400 0.045 0.000 2.441 456 D HA 0.480 5.128 4.640 0.013 0.000 0.221 456 D C 0.685 177.011 176.300 0.043 0.000 1.156 456 D CA 0.260 54.305 54.000 0.076 0.000 0.896 456 D CB 1.647 42.505 40.800 0.097 0.000 1.028 456 D HN 0.721 nan 8.370 nan 0.000 0.509 457 A N 2.893 125.743 122.820 0.049 0.000 2.327 457 A HA 0.112 4.440 4.320 0.013 0.000 0.228 457 A C 1.347 178.966 177.584 0.058 0.000 1.275 457 A CA 0.396 52.459 52.037 0.042 0.000 0.875 457 A CB -0.253 18.769 19.000 0.036 0.000 0.925 457 A HN 0.501 nan 8.150 nan 0.000 0.493 458 T N -5.650 108.953 114.554 0.082 0.000 3.111 458 T HA 0.192 4.550 4.350 0.013 0.000 0.284 458 T C 1.091 175.870 174.700 0.131 0.000 0.983 458 T CA 0.312 62.467 62.100 0.092 0.000 0.900 458 T CB -0.332 68.584 68.868 0.081 0.000 1.132 458 T HN 0.399 nan 8.240 nan 0.000 0.531 459 H N 1.541 120.616 119.070 0.008 0.000 2.300 459 H HA 0.464 5.028 4.556 0.013 0.000 0.312 459 H C 0.660 176.047 175.328 0.100 0.000 1.057 459 H CA 0.399 56.430 56.048 -0.028 0.000 1.380 459 H CB -0.094 29.569 29.762 -0.165 0.000 1.424 459 H HN 0.341 nan 8.280 nan 0.000 0.534 460 I N 1.026 121.666 120.570 0.118 0.000 2.752 460 I HA 0.041 4.219 4.170 0.013 0.000 0.287 460 I C 1.105 177.293 176.117 0.119 0.000 1.188 460 I CA 0.695 62.078 61.300 0.139 0.000 1.427 460 I CB 0.399 38.468 38.000 0.115 0.000 1.365 460 I HN 0.699 nan 8.210 nan 0.000 0.585 461 G N 5.064 113.952 108.800 0.146 0.000 2.371 461 G HA2 -0.304 3.663 3.960 0.013 0.000 0.299 461 G HA3 -0.304 3.663 3.960 0.013 0.000 0.299 461 G C 0.845 175.793 174.900 0.080 0.000 1.014 461 G CA 0.488 45.640 45.100 0.086 0.000 1.097 461 G HN 0.877 nan 8.290 nan 0.000 0.512 462 K N -1.230 119.243 120.400 0.120 0.000 2.155 462 K HA 0.302 4.630 4.320 0.013 0.000 0.203 462 K C 0.960 177.590 176.600 0.051 0.000 1.052 462 K CA 0.688 57.032 56.287 0.095 0.000 0.948 462 K CB 0.063 32.648 32.500 0.142 0.000 0.728 462 K HN 0.439 nan 8.250 nan 0.000 0.448 463 L N 1.244 122.504 121.223 0.061 0.000 2.513 463 L HA 0.428 4.776 4.340 0.013 0.000 0.261 463 L C -1.632 175.251 176.870 0.021 0.000 0.945 463 L CA -0.681 54.183 54.840 0.040 0.000 0.848 463 L CB 2.150 44.233 42.059 0.039 0.000 1.334 463 L HN -0.027 nan 8.230 nan 0.000 0.407 464 I N 4.315 124.841 120.570 -0.073 0.000 2.447 464 I HA 0.560 4.738 4.170 0.013 0.000 0.287 464 I C -0.679 175.315 176.117 -0.205 0.000 1.023 464 I CA -0.724 60.451 61.300 -0.209 0.000 1.083 464 I CB 2.133 39.974 38.000 -0.266 0.000 1.245 464 I HN 0.172 nan 8.210 nan 0.000 0.434 465 V N 4.189 123.927 119.914 -0.293 0.000 3.001 465 V HA 0.704 4.832 4.120 0.013 0.000 0.314 465 V C -0.319 175.540 176.094 -0.391 0.000 1.099 465 V CA -0.388 61.696 62.300 -0.362 0.000 0.989 465 V CB 2.620 34.165 31.823 -0.464 0.000 1.040 465 V HN 0.814 nan 8.190 nan 0.000 0.434 466 T N 1.690 116.019 114.554 -0.375 0.000 2.853 466 T HA 0.358 4.716 4.350 0.013 0.000 0.311 466 T C -0.942 173.715 174.700 -0.071 0.000 1.307 466 T CA -0.653 61.338 62.100 -0.181 0.000 1.019 466 T CB 1.673 70.457 68.868 -0.139 0.000 1.264 466 T HN 0.782 nan 8.240 nan 0.000 0.497 467 K N 2.291 122.822 120.400 0.219 0.000 2.485 467 K HA 0.137 4.465 4.320 0.013 0.000 0.277 467 K C 0.646 177.335 176.600 0.149 0.000 0.990 467 K CA -0.096 56.369 56.287 0.298 0.000 0.994 467 K CB 0.386 33.056 32.500 0.282 0.000 0.906 467 K HN 0.667 nan 8.250 nan 0.000 0.488 468 Q N 3.113 122.985 119.800 0.121 0.000 2.368 468 Q HA 0.086 4.434 4.340 0.013 0.000 0.237 468 Q C 0.782 176.809 176.000 0.045 0.000 0.987 468 Q CA -0.391 55.451 55.803 0.064 0.000 0.896 468 Q CB 0.810 29.574 28.738 0.043 0.000 1.241 468 Q HN 0.658 nan 8.270 nan 0.000 0.485 469 I N 1.347 121.920 120.570 0.005 0.000 2.202 469 I HA -0.186 3.992 4.170 0.013 0.000 0.242 469 I C 1.996 178.082 176.117 -0.051 0.000 1.091 469 I CA 1.405 62.664 61.300 -0.069 0.000 1.368 469 I CB -0.754 37.180 38.000 -0.111 0.000 1.058 469 I HN 0.987 nan 8.210 nan 0.000 0.410 470 G N 0.347 109.130 108.800 -0.028 0.000 2.705 470 G HA2 0.027 3.995 3.960 0.013 0.000 0.214 470 G HA3 0.027 3.995 3.960 0.013 0.000 0.214 470 G C 0.856 175.742 174.900 -0.022 0.000 1.321 470 G CA 0.783 45.866 45.100 -0.027 0.000 0.826 470 G HN 0.486 nan 8.290 nan 0.000 0.595 471 G N -1.369 107.423 108.800 -0.014 0.000 2.828 471 G HA2 0.411 4.379 3.960 0.013 0.000 0.244 471 G HA3 0.411 4.379 3.960 0.013 0.000 0.244 471 G C -0.104 174.808 174.900 0.020 0.000 1.365 471 G CA 0.005 45.095 45.100 -0.017 0.000 1.041 471 G HN 0.123 nan 8.290 nan 0.000 0.560 472 D N 0.256 120.664 120.400 0.014 0.000 2.358 472 D HA 0.080 4.727 4.640 0.013 0.000 0.241 472 D C 1.537 177.892 176.300 0.092 0.000 1.094 472 D CA 0.363 54.382 54.000 0.032 0.000 0.907 472 D CB -0.278 40.514 40.800 -0.012 0.000 0.893 472 D HN 0.335 nan 8.370 nan 0.000 0.528 473 G N 0.380 109.244 108.800 0.106 0.000 2.683 473 G HA2 0.248 4.216 3.960 0.013 0.000 0.260 473 G HA3 0.248 4.216 3.960 0.013 0.000 0.260 473 G C 0.076 175.143 174.900 0.278 0.000 1.238 473 G CA -0.543 44.649 45.100 0.153 0.000 0.934 473 G HN 0.144 nan 8.290 nan 0.000 0.534 474 M N -0.023 119.672 119.600 0.158 0.000 2.409 474 M HA 0.681 5.169 4.480 0.013 0.000 0.329 474 M C -0.726 175.498 176.300 -0.127 0.000 1.180 474 M CA -0.498 54.732 55.300 -0.118 0.000 1.053 474 M CB 1.471 33.934 32.600 -0.229 0.000 1.586 474 M HN 0.468 nan 8.290 nan 0.000 0.461 475 M N 4.198 123.669 119.600 -0.215 0.000 2.124 475 M HA 0.230 4.718 4.480 0.013 0.000 0.280 475 M C -1.598 174.606 176.300 -0.159 0.000 0.954 475 M CA -0.637 54.591 55.300 -0.119 0.000 0.958 475 M CB 1.345 33.917 32.600 -0.048 0.000 1.611 475 M HN 0.691 nan 8.290 nan 0.000 0.449 476 D N 5.808 126.139 120.400 -0.115 0.000 2.344 476 D HA 0.167 4.814 4.640 0.013 0.000 0.253 476 D C 0.477 176.746 176.300 -0.052 0.000 1.255 476 D CA -0.022 53.920 54.000 -0.097 0.000 0.894 476 D CB 0.400 41.160 40.800 -0.067 0.000 1.067 476 D HN 0.699 nan 8.370 nan 0.000 0.492 477 I N 0.851 121.390 120.570 -0.052 0.000 3.816 477 I HA 0.159 4.337 4.170 0.013 0.000 0.334 477 I C 0.879 177.038 176.117 0.070 0.000 1.551 477 I CA -0.562 60.744 61.300 0.009 0.000 1.153 477 I CB 0.246 38.247 38.000 0.000 0.000 1.197 477 I HN 0.011 nan 8.210 nan 0.000 0.439 478 T N 1.057 115.629 114.554 0.029 0.000 2.684 478 T HA -0.170 4.188 4.350 0.013 0.000 0.267 478 T C 1.395 176.143 174.700 0.080 0.000 1.036 478 T CA 2.154 64.284 62.100 0.050 0.000 1.148 478 T CB -0.306 68.571 68.868 0.015 0.000 0.863 478 T HN 0.502 nan 8.240 nan 0.000 0.436 479 D N 1.104 121.533 120.400 0.048 0.000 2.265 479 D HA -0.105 4.542 4.640 0.013 0.000 0.208 479 D C 2.421 178.711 176.300 -0.017 0.000 0.977 479 D CA 1.640 55.652 54.000 0.019 0.000 0.871 479 D CB -0.235 40.584 40.800 0.031 0.000 0.925 479 D HN 0.584 nan 8.370 nan 0.000 0.485 480 T N -1.738 112.840 114.554 0.040 0.000 2.812 480 T HA -0.178 4.180 4.350 0.013 0.000 0.264 480 T C 2.004 176.656 174.700 -0.080 0.000 1.042 480 T CA 0.680 62.776 62.100 -0.007 0.000 1.140 480 T CB -0.649 68.229 68.868 0.017 0.000 0.870 480 T HN 0.097 nan 8.240 nan 0.000 0.445 481 Y N 3.059 123.346 120.300 -0.021 0.000 2.457 481 Y HA 0.281 4.839 4.550 0.012 0.000 0.292 481 Y C 1.159 177.013 175.900 -0.077 0.000 1.125 481 Y CA 0.306 58.405 58.100 -0.001 0.000 1.254 481 Y CB 0.131 38.626 38.460 0.058 0.000 1.012 481 Y HN 0.501 nan 8.280 nan 0.000 0.555 482 K N -2.529 117.861 120.400 -0.016 0.000 2.607 482 K HA 0.299 4.627 4.320 0.013 0.000 0.287 482 K C -1.382 175.105 176.600 -0.188 0.000 0.996 482 K CA -0.812 55.407 56.287 -0.113 0.000 0.876 482 K CB 0.569 33.074 32.500 0.008 0.000 1.496 482 K HN -0.204 nan 8.250 nan 0.000 0.415 483 F N 1.143 121.105 119.950 0.021 0.000 2.181 483 F HA 0.246 4.781 4.527 0.013 0.000 0.285 483 F C 0.458 176.274 175.800 0.027 0.000 1.134 483 F CA -0.125 57.886 58.000 0.017 0.000 1.139 483 F CB 0.442 39.444 39.000 0.004 0.000 1.614 483 F HN 0.432 nan 8.300 nan 0.000 0.519 484 Q N 0.500 120.459 119.800 0.265 0.000 2.256 484 Q HA 0.223 4.571 4.340 0.013 0.000 0.254 484 Q C -0.871 175.199 176.000 0.117 0.000 0.916 484 Q CA -0.585 55.304 55.803 0.144 0.000 0.932 484 Q CB 0.530 29.334 28.738 0.110 0.000 1.207 484 Q HN 0.189 nan 8.270 nan 0.000 0.426 485 E N 1.372 121.625 120.200 0.088 0.000 2.585 485 E HA 0.115 4.472 4.350 0.013 0.000 0.252 485 E C 0.804 177.438 176.600 0.058 0.000 0.981 485 E CA 1.286 57.728 56.400 0.070 0.000 0.943 485 E CB 0.475 30.209 29.700 0.057 0.000 0.923 485 E HN 0.922 nan 8.360 nan 0.000 0.486 486 G N 3.082 111.911 108.800 0.049 0.000 2.316 486 G HA2 -0.235 3.732 3.960 0.013 0.000 0.203 486 G HA3 -0.235 3.732 3.960 0.013 0.000 0.203 486 G C 0.268 175.182 174.900 0.022 0.000 0.999 486 G CA 0.200 45.320 45.100 0.034 0.000 0.649 486 G HN 0.548 nan 8.290 nan 0.000 0.489 487 Q N 0.536 120.349 119.800 0.022 0.000 2.193 487 Q HA 0.753 5.101 4.340 0.013 0.000 0.246 487 Q C 0.992 176.963 176.000 -0.048 0.000 0.959 487 Q CA -0.440 55.355 55.803 -0.012 0.000 0.904 487 Q CB 1.374 30.102 28.738 -0.017 0.000 1.238 487 Q HN 0.059 nan 8.270 nan 0.000 0.469 488 E N 1.524 121.677 120.200 -0.078 0.000 2.049 488 E HA -0.234 4.123 4.350 0.013 0.000 0.198 488 E C 1.674 178.177 176.600 -0.162 0.000 1.007 488 E CA 1.856 58.199 56.400 -0.095 0.000 0.809 488 E CB -0.118 29.535 29.700 -0.079 0.000 0.749 488 E HN 0.815 nan 8.360 nan 0.000 0.450 489 E N 0.966 120.961 120.200 -0.342 0.000 2.209 489 E HA -0.210 4.148 4.350 0.013 0.000 0.196 489 E C 1.844 178.223 176.600 -0.369 0.000 0.993 489 E CA 0.793 56.844 56.400 -0.582 0.000 0.819 489 E CB -0.168 28.663 29.700 -1.449 0.000 0.745 489 E HN 0.229 nan 8.360 nan 0.000 0.477 490 E N 1.713 121.808 120.200 -0.175 0.000 2.046 490 E HA -0.117 4.240 4.350 0.013 0.000 0.190 490 E C 2.182 178.840 176.600 0.096 0.000 0.982 490 E CA 0.521 57.001 56.400 0.133 0.000 0.800 490 E CB -0.147 29.641 29.700 0.146 0.000 0.756 490 E HN 0.215 nan 8.360 nan 0.000 0.449 491 R N 0.480 120.999 120.500 0.031 0.000 2.096 491 R HA -0.142 4.205 4.340 0.013 0.000 0.240 491 R C 2.656 178.974 176.300 0.030 0.000 1.139 491 R CA 1.341 57.459 56.100 0.029 0.000 0.952 491 R CB -0.354 29.948 30.300 0.003 0.000 0.854 491 R HN 0.168 nan 8.270 nan 0.000 0.436 492 L N 0.134 121.363 121.223 0.009 0.000 1.955 492 L HA -0.192 4.155 4.340 0.013 0.000 0.213 492 L C 2.793 179.681 176.870 0.031 0.000 1.072 492 L CA 1.592 56.438 54.840 0.011 0.000 0.755 492 L CB -0.947 41.115 42.059 0.006 0.000 0.888 492 L HN 0.324 nan 8.230 nan 0.000 0.432 493 A N 0.120 122.994 122.820 0.090 0.000 1.927 493 A HA -0.281 4.047 4.320 0.013 0.000 0.220 493 A C 2.237 179.865 177.584 0.073 0.000 1.185 493 A CA 2.260 54.360 52.037 0.105 0.000 0.639 493 A CB -0.835 18.315 19.000 0.251 0.000 0.820 493 A HN 0.392 nan 8.150 nan 0.000 0.451 494 L N -0.097 121.216 121.223 0.150 0.000 1.994 494 L HA -0.141 4.206 4.340 0.013 0.000 0.208 494 L C 2.137 179.025 176.870 0.029 0.000 1.071 494 L CA 2.582 57.523 54.840 0.169 0.000 0.745 494 L CB -0.748 41.400 42.059 0.149 0.000 0.892 494 L HN 0.520 nan 8.230 nan 0.000 0.431 495 E N -1.210 118.988 120.200 -0.003 0.000 2.265 495 E HA -0.171 4.187 4.350 0.013 0.000 0.196 495 E C 1.806 178.333 176.600 -0.122 0.000 0.996 495 E CA 1.477 57.846 56.400 -0.053 0.000 0.832 495 E CB -0.076 29.599 29.700 -0.042 0.000 0.756 495 E HN 0.606 nan 8.360 nan 0.000 0.491 496 T N 0.473 114.943 114.554 -0.139 0.000 2.809 496 T HA -0.042 4.316 4.350 0.013 0.000 0.260 496 T C 2.046 176.566 174.700 -0.301 0.000 1.039 496 T CA 0.967 62.929 62.100 -0.230 0.000 1.141 496 T CB -0.159 68.591 68.868 -0.196 0.000 0.869 496 T HN 0.216 nan 8.240 nan 0.000 0.437 497 A N 1.706 124.348 122.820 -0.297 0.000 1.978 497 A HA -0.016 4.312 4.320 0.013 0.000 0.220 497 A C 2.171 179.600 177.584 -0.258 0.000 1.170 497 A CA 1.015 52.815 52.037 -0.394 0.000 0.636 497 A CB -0.797 17.659 19.000 -0.907 0.000 0.810 497 A HN 0.320 nan 8.150 nan 0.000 0.448 498 L N -0.952 120.154 121.223 -0.195 0.000 2.191 498 L HA -0.097 4.250 4.340 0.013 0.000 0.212 498 L C 2.416 179.165 176.870 -0.201 0.000 1.103 498 L CA 2.132 56.884 54.840 -0.146 0.000 0.769 498 L CB -0.926 41.073 42.059 -0.099 0.000 0.908 498 L HN 0.627 nan 8.230 nan 0.000 0.438 499 M N -2.160 117.243 119.600 -0.328 0.000 2.349 499 M HA -0.176 4.312 4.480 0.013 0.000 0.266 499 M C 0.705 176.700 176.300 -0.508 0.000 1.076 499 M CA 1.309 56.333 55.300 -0.460 0.000 1.126 499 M CB 0.080 32.291 32.600 -0.649 0.000 1.392 499 M HN 0.127 nan 8.290 nan 0.000 0.440 500 Y N -0.363 119.820 120.300 -0.194 0.000 2.708 500 Y HA 0.449 5.007 4.550 0.013 0.000 0.287 500 Y C 1.265 177.046 175.900 -0.199 0.000 1.145 500 Y CA 0.054 58.028 58.100 -0.209 0.000 1.249 500 Y CB 0.019 38.313 38.460 -0.277 0.000 1.152 500 Y HN 0.425 nan 8.280 nan 0.000 0.532 501 G N -0.579 108.179 108.800 -0.069 0.000 2.201 501 G HA2 -0.140 3.828 3.960 0.013 0.000 0.212 501 G HA3 -0.140 3.828 3.960 0.013 0.000 0.212 501 G C 0.425 175.256 174.900 -0.116 0.000 0.994 501 G CA -0.369 44.680 45.100 -0.085 0.000 0.644 501 G HN 0.590 nan 8.290 nan 0.000 0.508 502 A N 0.615 123.357 122.820 -0.130 0.000 2.477 502 A HA 0.603 4.931 4.320 0.013 0.000 0.246 502 A C 0.489 178.035 177.584 -0.063 0.000 1.078 502 A CA 0.505 52.479 52.037 -0.105 0.000 0.770 502 A CB 0.274 19.233 19.000 -0.068 0.000 1.011 502 A HN 0.432 nan 8.150 nan 0.000 0.494 503 K N 1.678 122.052 120.400 -0.043 0.000 2.159 503 K HA 0.400 4.728 4.320 0.013 0.000 0.266 503 K C -0.469 176.123 176.600 -0.014 0.000 0.975 503 K CA -0.437 55.833 56.287 -0.028 0.000 0.865 503 K CB 1.675 34.162 32.500 -0.022 0.000 1.087 503 K HN 0.587 nan 8.250 nan 0.000 0.446 504 K N 4.199 124.590 120.400 -0.016 0.000 2.842 504 K HA 0.150 4.478 4.320 0.013 0.000 0.176 504 K C -1.798 174.792 176.600 -0.017 0.000 1.080 504 K CA -1.547 54.732 56.287 -0.013 0.000 0.954 504 K CB 0.867 33.362 32.500 -0.009 0.000 1.203 504 K HN 0.434 nan 8.250 nan 0.000 0.611 505 P HA -0.167 nan 4.420 nan 0.000 0.216 505 P C 0.253 177.543 177.300 -0.016 0.000 1.153 505 P CA 0.811 63.902 63.100 -0.016 0.000 0.858 505 P CB 0.527 32.218 31.700 -0.016 0.000 0.789 506 L N 0.677 121.886 121.223 -0.023 0.000 2.289 506 L HA 0.266 4.614 4.340 0.013 0.000 0.285 506 L C 0.632 177.494 176.870 -0.013 0.000 1.049 506 L CA -0.908 53.920 54.840 -0.020 0.000 0.804 506 L CB 0.809 42.846 42.059 -0.036 0.000 1.195 506 L HN -0.116 nan 8.230 nan 0.000 0.428 507 N N 2.248 120.945 118.700 -0.004 0.000 2.431 507 N HA 0.075 4.823 4.740 0.013 0.000 0.265 507 N C -0.388 175.123 175.510 0.002 0.000 1.184 507 N CA -0.025 53.025 53.050 0.000 0.000 0.943 507 N CB 0.693 39.183 38.487 0.006 0.000 1.080 507 N HN 0.543 nan 8.380 nan 0.000 0.477 517 N N 0.704 119.407 118.700 0.006 0.000 2.814 517 N HA -0.122 4.625 4.740 0.013 0.000 0.247 517 N C -1.100 174.449 175.510 0.065 0.000 1.089 517 N CA 0.581 53.658 53.050 0.045 0.000 0.682 517 N CB -0.779 37.748 38.487 0.067 0.000 0.970 517 N HN 0.233 nan 8.380 nan 0.000 0.554 518 V N 0.782 120.711 119.914 0.024 0.000 2.326 518 V HA 0.288 4.416 4.120 0.013 0.000 0.281 518 V C -0.362 175.766 176.094 0.056 0.000 1.015 518 V CA -0.635 61.697 62.300 0.054 0.000 0.823 518 V CB 1.543 33.346 31.823 -0.034 0.000 1.009 518 V HN 0.117 nan 8.190 nan 0.000 0.436 519 D N 5.460 125.908 120.400 0.080 0.000 2.249 519 D HA 0.483 5.131 4.640 0.013 0.000 0.246 519 D C -0.192 176.119 176.300 0.018 0.000 1.114 519 D CA 0.027 54.058 54.000 0.051 0.000 0.854 519 D CB 1.740 42.580 40.800 0.066 0.000 1.132 519 D HN 0.419 nan 8.370 nan 0.000 0.461 520 M N 2.266 121.837 119.600 -0.047 0.000 2.263 520 M HA 0.396 4.884 4.480 0.013 0.000 0.295 520 M C -1.996 174.203 176.300 -0.169 0.000 1.028 520 M CA -0.551 54.622 55.300 -0.213 0.000 0.921 520 M CB 2.130 34.577 32.600 -0.255 0.000 1.601 520 M HN 0.223 nan 8.290 nan 0.000 0.440 521 D N 4.191 124.471 120.400 -0.200 0.000 2.602 521 D HA 0.659 5.306 4.640 0.013 0.000 0.236 521 D C -1.932 174.330 176.300 -0.062 0.000 1.209 521 D CA -0.064 53.875 54.000 -0.101 0.000 0.831 521 D CB 1.865 42.617 40.800 -0.081 0.000 1.478 521 D HN 0.493 nan 8.370 nan 0.000 0.438 522 F N 0.022 119.869 119.950 -0.173 0.000 2.556 522 F HA 0.624 5.159 4.527 0.013 0.000 0.314 522 F C -0.805 174.934 175.800 -0.103 0.000 1.106 522 F CA -0.966 56.930 58.000 -0.173 0.000 0.911 522 F CB 1.328 40.207 39.000 -0.202 0.000 1.190 522 F HN 0.212 nan 8.300 nan 0.000 0.448 523 E N 2.825 123.058 120.200 0.056 0.000 2.191 523 E HA 0.681 5.039 4.350 0.013 0.000 0.278 523 E C -1.696 174.952 176.600 0.080 0.000 0.972 523 E CA -1.111 55.286 56.400 -0.005 0.000 0.804 523 E CB 2.352 32.047 29.700 -0.008 0.000 1.110 523 E HN 0.549 nan 8.360 nan 0.000 0.394 524 V N 3.082 123.021 119.914 0.042 0.000 2.487 524 V HA 0.181 4.309 4.120 0.013 0.000 0.298 524 V C -0.073 176.035 176.094 0.024 0.000 1.028 524 V CA -0.870 61.466 62.300 0.061 0.000 0.860 524 V CB 1.227 33.087 31.823 0.061 0.000 0.991 524 V HN 0.874 nan 8.190 nan 0.000 0.427 525 E N 3.314 123.549 120.200 0.057 0.000 2.349 525 E HA 0.286 4.644 4.350 0.013 0.000 0.265 525 E C -0.434 176.096 176.600 -0.117 0.000 1.064 525 E CA -0.613 55.793 56.400 0.009 0.000 0.886 525 E CB 1.095 30.834 29.700 0.066 0.000 1.036 525 E HN 0.643 nan 8.360 nan 0.000 0.413 526 N N 0.831 119.445 118.700 -0.143 0.000 2.422 526 N HA 0.371 5.119 4.740 0.013 0.000 0.266 526 N C -1.328 174.059 175.510 -0.206 0.000 1.007 526 N CA -0.258 52.641 53.050 -0.251 0.000 0.941 526 N CB 1.122 39.508 38.487 -0.169 0.000 1.115 526 N HN 0.638 nan 8.380 nan 0.000 0.492 527 A N 2.459 125.080 122.820 -0.332 0.000 2.288 527 A HA 0.629 4.957 4.320 0.013 0.000 0.328 527 A C -0.268 177.287 177.584 -0.049 0.000 1.123 527 A CA -0.627 51.364 52.037 -0.077 0.000 0.861 527 A CB 0.785 19.886 19.000 0.168 0.000 1.272 527 A HN 0.450 nan 8.150 nan 0.000 0.490 528 V N 0.980 120.922 119.914 0.048 0.000 3.036 528 V HA 0.168 4.296 4.120 0.013 0.000 0.308 528 V C 0.746 176.906 176.094 0.109 0.000 1.070 528 V CA -0.823 61.508 62.300 0.052 0.000 1.056 528 V CB 1.267 33.124 31.823 0.058 0.000 1.084 528 V HN 0.766 nan 8.190 nan 0.000 0.471 529 L N 3.242 124.522 121.223 0.094 0.000 2.698 529 L HA 0.245 4.593 4.340 0.013 0.000 0.272 529 L C 1.089 178.072 176.870 0.189 0.000 1.154 529 L CA 1.752 56.676 54.840 0.140 0.000 0.964 529 L CB -0.846 41.273 42.059 0.101 0.000 1.272 529 L HN 1.101 nan 8.230 nan 0.000 0.483 530 G N 4.099 113.092 108.800 0.321 0.000 2.148 530 G HA2 -0.210 3.758 3.960 0.013 0.000 0.203 530 G HA3 -0.210 3.758 3.960 0.013 0.000 0.203 530 G C 0.247 175.256 174.900 0.182 0.000 0.993 530 G CA -0.117 45.108 45.100 0.208 0.000 0.661 530 G HN 0.571 nan 8.290 nan 0.000 0.518 531 K N 0.546 121.129 120.400 0.304 0.000 2.259 531 K HA 0.491 4.818 4.320 0.013 0.000 0.249 531 K C -0.956 175.873 176.600 0.382 0.000 0.942 531 K CA -1.033 55.407 56.287 0.255 0.000 0.816 531 K CB 1.267 33.892 32.500 0.208 0.000 1.155 531 K HN 0.055 nan 8.250 nan 0.000 0.428 532 D N 2.221 122.754 120.400 0.220 0.000 2.382 532 D HA 0.232 4.880 4.640 0.013 0.000 0.245 532 D C -0.422 176.043 176.300 0.275 0.000 1.120 532 D CA 0.385 54.478 54.000 0.155 0.000 0.890 532 D CB 0.307 41.134 40.800 0.046 0.000 1.201 532 D HN 0.265 nan 8.370 nan 0.000 0.433 533 F N -1.709 118.342 119.950 0.169 0.000 2.662 533 F HA 0.566 5.101 4.527 0.013 0.000 0.312 533 F C -0.037 175.820 175.800 0.094 0.000 1.113 533 F CA -1.288 56.785 58.000 0.121 0.000 0.951 533 F CB 1.193 40.267 39.000 0.123 0.000 1.344 533 F HN -0.077 nan 8.300 nan 0.000 0.462 534 K N 0.789 121.368 120.400 0.299 0.000 2.362 534 K HA 0.776 5.103 4.320 0.013 0.000 0.245 534 K C -1.547 175.159 176.600 0.176 0.000 1.040 534 K CA -1.052 55.331 56.287 0.159 0.000 0.961 534 K CB 1.230 33.801 32.500 0.118 0.000 1.252 534 K HN 0.821 nan 8.250 nan 0.000 0.503 535 L N 0.870 122.135 121.223 0.071 0.000 3.096 535 L HA 0.133 4.481 4.340 0.013 0.000 0.242 535 L C -1.614 175.263 176.870 0.011 0.000 0.957 535 L CA -0.166 54.687 54.840 0.021 0.000 1.141 535 L CB 1.376 43.367 42.059 -0.113 0.000 1.584 535 L HN 0.529 nan 8.230 nan 0.000 0.570 536 S N 4.836 120.554 115.700 0.030 0.000 2.554 536 S HA 0.674 5.152 4.470 0.013 0.000 0.278 536 S C -0.252 174.320 174.600 -0.046 0.000 1.242 536 S CA -0.421 57.779 58.200 0.000 0.000 1.051 536 S CB 1.620 64.829 63.200 0.015 0.000 0.986 536 S HN 0.432 nan 8.310 nan 0.000 0.502 537 I N 2.173 122.657 120.570 -0.143 0.000 2.436 537 I HA 0.358 4.535 4.170 0.013 0.000 0.289 537 I C 0.254 176.137 176.117 -0.390 0.000 1.010 537 I CA -0.355 60.761 61.300 -0.306 0.000 1.098 537 I CB 2.076 39.771 38.000 -0.507 0.000 1.266 537 I HN 0.546 nan 8.210 nan 0.000 0.434 538 T N 5.364 119.608 114.554 -0.516 0.000 2.940 538 T HA 0.740 5.097 4.350 0.013 0.000 0.288 538 T C -1.133 173.082 174.700 -0.807 0.000 1.033 538 T CA -0.295 61.465 62.100 -0.568 0.000 1.033 538 T CB 0.989 69.556 68.868 -0.502 0.000 1.079 538 T HN 0.266 nan 8.240 nan 0.000 0.496 539 F N 1.670 121.390 119.950 -0.384 0.000 2.585 539 F HA 0.538 5.073 4.527 0.013 0.000 0.319 539 F C 0.180 175.863 175.800 -0.194 0.000 1.165 539 F CA -0.974 56.897 58.000 -0.214 0.000 0.949 539 F CB 2.029 40.935 39.000 -0.158 0.000 1.218 539 F HN 0.472 nan 8.300 nan 0.000 0.453 540 R N 2.584 123.168 120.500 0.140 0.000 2.562 540 R HA 0.449 4.796 4.340 0.013 0.000 0.298 540 R C -1.255 175.158 176.300 0.189 0.000 0.961 540 R CA -0.668 55.579 56.100 0.245 0.000 0.881 540 R CB 1.382 31.886 30.300 0.341 0.000 1.159 540 R HN 0.701 nan 8.270 nan 0.000 0.450 541 N N 3.019 121.826 118.700 0.179 0.000 2.372 541 N HA 0.201 4.948 4.740 0.013 0.000 0.285 541 N C -0.978 174.598 175.510 0.110 0.000 1.008 541 N CA -0.410 52.740 53.050 0.165 0.000 0.880 541 N CB 1.339 39.927 38.487 0.169 0.000 1.239 541 N HN 0.672 nan 8.380 nan 0.000 0.484 542 N N 0.767 119.521 118.700 0.090 0.000 2.184 542 N HA -0.004 4.744 4.740 0.013 0.000 0.206 542 N C -0.040 175.452 175.510 -0.030 0.000 1.151 542 N CA -0.126 52.937 53.050 0.021 0.000 0.878 542 N CB 0.542 39.047 38.487 0.029 0.000 1.014 542 N HN 0.594 nan 8.380 nan 0.000 0.512 543 S N 0.055 115.777 115.700 0.038 0.000 2.632 543 S HA 0.214 4.692 4.470 0.013 0.000 0.271 543 S C 0.549 175.106 174.600 -0.072 0.000 1.260 543 S CA -0.364 57.851 58.200 0.025 0.000 1.010 543 S CB 1.090 64.389 63.200 0.166 0.000 0.965 543 S HN 0.163 nan 8.310 nan 0.000 0.534 544 H N 2.156 121.228 119.070 0.003 0.000 2.645 544 H HA 0.279 4.843 4.556 0.013 0.000 0.300 544 H C 0.307 175.594 175.328 -0.068 0.000 1.065 544 H CA 0.024 56.059 56.048 -0.020 0.000 1.173 544 H CB -0.674 29.082 29.762 -0.009 0.000 1.383 544 H HN 0.734 nan 8.280 nan 0.000 0.566 545 N N -0.053 118.615 118.700 -0.053 0.000 2.972 545 N HA 0.253 5.001 4.740 0.013 0.000 0.262 545 N C -0.401 174.900 175.510 -0.349 0.000 1.478 545 N CA -0.880 52.057 53.050 -0.188 0.000 0.841 545 N CB 2.094 40.435 38.487 -0.244 0.000 1.512 545 N HN 0.061 nan 8.380 nan 0.000 0.548 546 R N -1.052 119.220 120.500 -0.380 0.000 2.691 546 R HA 0.624 4.971 4.340 0.013 0.000 0.259 546 R C -1.181 174.777 176.300 -0.569 0.000 1.048 546 R CA -0.549 55.344 56.100 -0.344 0.000 1.086 546 R CB 0.688 30.898 30.300 -0.150 0.000 1.166 546 R HN 0.570 nan 8.270 nan 0.000 0.526 547 Y N -1.343 118.943 120.300 -0.024 0.000 2.655 547 Y HA 0.338 4.896 4.550 0.013 0.000 0.336 547 Y C -0.676 175.187 175.900 -0.062 0.000 1.154 547 Y CA -1.002 57.077 58.100 -0.034 0.000 1.055 547 Y CB 2.814 41.255 38.460 -0.030 0.000 1.295 547 Y HN 0.571 nan 8.280 nan 0.000 0.465 548 T N 2.966 117.604 114.554 0.140 0.000 2.864 548 T HA 0.562 4.920 4.350 0.013 0.000 0.310 548 T C -0.647 174.037 174.700 -0.027 0.000 1.040 548 T CA -0.299 61.812 62.100 0.018 0.000 0.977 548 T CB 0.018 68.896 68.868 0.016 0.000 0.976 548 T HN 0.206 nan 8.240 nan 0.000 0.459 549 I N 2.479 122.979 120.570 -0.116 0.000 2.664 549 I HA 0.455 4.632 4.170 0.013 0.000 0.308 549 I C 0.637 176.658 176.117 -0.159 0.000 0.984 549 I CA -0.212 60.988 61.300 -0.166 0.000 1.213 549 I CB 1.612 39.398 38.000 -0.358 0.000 1.379 549 I HN 0.482 nan 8.210 nan 0.000 0.501 550 T N 4.525 118.996 114.554 -0.138 0.000 3.103 550 T HA 0.654 5.012 4.350 0.013 0.000 0.352 550 T C -0.317 174.180 174.700 -0.337 0.000 1.048 550 T CA -0.576 61.404 62.100 -0.200 0.000 1.175 550 T CB 0.824 69.618 68.868 -0.123 0.000 1.029 550 T HN 0.680 nan 8.240 nan 0.000 0.498 551 A N 2.842 125.493 122.820 -0.282 0.000 2.252 551 A HA 0.922 5.250 4.320 0.013 0.000 0.305 551 A C -1.229 176.074 177.584 -0.468 0.000 1.097 551 A CA -0.474 51.431 52.037 -0.220 0.000 0.849 551 A CB 0.643 19.644 19.000 0.002 0.000 1.142 551 A HN 0.728 nan 8.150 nan 0.000 0.499 552 Y N -1.295 119.111 120.300 0.177 0.000 2.534 552 Y HA 0.593 5.151 4.550 0.013 0.000 0.345 552 Y C -0.520 175.464 175.900 0.141 0.000 1.031 552 Y CA -0.633 57.568 58.100 0.169 0.000 1.022 552 Y CB 2.116 40.617 38.460 0.069 0.000 1.292 552 Y HN 0.674 nan 8.280 nan 0.000 0.459 553 L N 2.260 123.675 121.223 0.319 0.000 2.409 553 L HA 0.735 5.083 4.340 0.013 0.000 0.272 553 L C -1.150 175.829 176.870 0.182 0.000 0.980 553 L CA -0.343 54.619 54.840 0.202 0.000 0.826 553 L CB 1.760 43.961 42.059 0.235 0.000 1.268 553 L HN 0.670 nan 8.230 nan 0.000 0.407 554 S N 4.046 119.871 115.700 0.208 0.000 2.707 554 S HA 0.798 5.276 4.470 0.013 0.000 0.312 554 S C -0.552 174.161 174.600 0.189 0.000 1.116 554 S CA -0.333 57.967 58.200 0.165 0.000 1.078 554 S CB 1.290 64.591 63.200 0.168 0.000 0.997 554 S HN 0.790 nan 8.310 nan 0.000 0.477 555 A N 5.202 128.004 122.820 -0.030 0.000 2.304 555 A HA 0.753 5.081 4.320 0.013 0.000 0.323 555 A C -0.175 177.191 177.584 -0.363 0.000 1.195 555 A CA -0.733 51.144 52.037 -0.267 0.000 0.826 555 A CB 0.611 19.268 19.000 -0.573 0.000 1.184 555 A HN 0.881 nan 8.150 nan 0.000 0.496 556 N N 1.165 119.854 118.700 -0.019 0.000 2.405 556 N HA 0.516 5.264 4.740 0.013 0.000 0.285 556 N C -1.438 174.289 175.510 0.362 0.000 1.262 556 N CA -0.549 52.631 53.050 0.217 0.000 0.773 556 N CB 2.004 40.572 38.487 0.135 0.000 1.490 556 N HN 0.519 nan 8.380 nan 0.000 0.486 557 I N 1.147 121.886 120.570 0.282 0.000 2.354 557 I HA 0.259 4.437 4.170 0.013 0.000 0.292 557 I C 0.222 176.349 176.117 0.017 0.000 0.989 557 I CA -0.161 61.187 61.300 0.080 0.000 1.188 557 I CB 1.566 39.560 38.000 -0.010 0.000 1.342 557 I HN 0.605 nan 8.210 nan 0.000 0.457 558 T N 2.108 116.653 114.554 -0.015 0.000 2.883 558 T HA 0.602 4.960 4.350 0.013 0.000 0.296 558 T C -0.321 174.348 174.700 -0.051 0.000 1.117 558 T CA -0.717 61.390 62.100 0.013 0.000 1.006 558 T CB 1.357 70.302 68.868 0.128 0.000 1.191 558 T HN 0.089 nan 8.240 nan 0.000 0.508 559 F N 0.629 120.571 119.950 -0.012 0.000 2.352 559 F HA 0.340 4.874 4.527 0.012 0.000 0.304 559 F C 1.771 177.559 175.800 -0.020 0.000 1.215 559 F CA -0.826 57.172 58.000 -0.003 0.000 1.121 559 F CB 0.128 39.075 39.000 -0.088 0.000 1.329 559 F HN 0.829 nan 8.300 nan 0.000 0.528 560 Y N -1.726 118.651 120.300 0.129 0.000 2.583 560 Y HA 0.043 4.601 4.550 0.014 0.000 0.293 560 Y C 1.781 177.557 175.900 -0.206 0.000 1.157 560 Y CA 0.621 58.712 58.100 -0.014 0.000 1.315 560 Y CB -2.023 36.396 38.460 -0.069 0.000 1.021 560 Y HN 0.481 nan 8.280 nan 0.000 0.536 561 T N -3.712 110.314 114.554 -0.881 0.000 3.023 561 T HA 0.360 4.717 4.350 0.013 0.000 0.266 561 T C 1.863 176.204 174.700 -0.599 0.000 1.093 561 T CA 0.771 62.024 62.100 -1.411 0.000 1.129 561 T CB -0.410 67.428 68.868 -1.716 0.000 0.899 561 T HN 0.740 nan 8.240 nan 0.000 0.491 562 G N 0.604 109.293 108.800 -0.185 0.000 2.278 562 G HA2 -0.219 3.749 3.960 0.013 0.000 0.210 562 G HA3 -0.219 3.749 3.960 0.013 0.000 0.210 562 G C 0.114 175.038 174.900 0.040 0.000 1.000 562 G CA -0.280 44.841 45.100 0.034 0.000 0.635 562 G HN 0.651 nan 8.290 nan 0.000 0.495 563 V N 3.621 123.528 119.914 -0.012 0.000 2.475 563 V HA 0.295 4.423 4.120 0.013 0.000 0.292 563 V C -1.525 174.723 176.094 0.258 0.000 1.003 563 V CA -0.048 62.289 62.300 0.062 0.000 1.120 563 V CB 0.652 32.396 31.823 -0.132 0.000 0.937 563 V HN 0.272 nan 8.190 nan 0.000 0.476 564 P HA 0.265 nan 4.420 nan 0.000 0.281 564 P C 0.210 177.604 177.300 0.156 0.000 1.252 564 P CA -0.568 62.611 63.100 0.133 0.000 0.778 564 P CB 1.224 32.975 31.700 0.086 0.000 0.895 565 K N 3.265 123.717 120.400 0.087 0.000 2.067 565 K HA 0.340 4.668 4.320 0.013 0.000 0.203 565 K C 0.149 176.789 176.600 0.068 0.000 1.048 565 K CA 0.969 57.288 56.287 0.053 0.000 0.954 565 K CB -0.072 32.368 32.500 -0.099 0.000 0.737 565 K HN 0.549 nan 8.250 nan 0.000 0.444 566 A N -0.163 122.706 122.820 0.083 0.000 2.590 566 A HA 0.342 4.669 4.320 0.013 0.000 0.294 566 A C -1.648 176.033 177.584 0.162 0.000 1.046 566 A CA -0.727 51.374 52.037 0.105 0.000 0.684 566 A CB 0.684 19.741 19.000 0.095 0.000 1.279 566 A HN 0.163 nan 8.150 nan 0.000 0.415 567 E N 0.805 121.083 120.200 0.130 0.000 2.223 567 E HA 0.456 4.814 4.350 0.013 0.000 0.282 567 E C -0.000 176.688 176.600 0.147 0.000 1.046 567 E CA -0.353 56.110 56.400 0.105 0.000 0.857 567 E CB 0.233 29.960 29.700 0.044 0.000 1.055 567 E HN 0.664 nan 8.360 nan 0.000 0.409 568 F N 3.601 123.597 119.950 0.077 0.000 2.678 568 F HA 0.422 4.957 4.527 0.013 0.000 0.305 568 F C -0.053 175.808 175.800 0.101 0.000 1.090 568 F CA -0.704 57.349 58.000 0.087 0.000 1.272 568 F CB 0.426 39.492 39.000 0.110 0.000 1.060 568 F HN 0.196 nan 8.300 nan 0.000 0.576 569 K N 1.204 121.389 120.400 -0.359 0.000 2.582 569 K HA 0.359 4.687 4.320 0.013 0.000 0.259 569 K C -1.873 174.642 176.600 -0.142 0.000 0.973 569 K CA -0.628 55.523 56.287 -0.226 0.000 0.880 569 K CB 1.450 33.782 32.500 -0.280 0.000 1.310 569 K HN -0.008 nan 8.250 nan 0.000 0.443 570 K N 2.280 122.652 120.400 -0.046 0.000 2.267 570 K HA 0.532 4.859 4.320 0.013 0.000 0.246 570 K C -1.783 174.822 176.600 0.007 0.000 0.954 570 K CA -0.439 55.851 56.287 0.005 0.000 0.824 570 K CB 1.890 34.399 32.500 0.015 0.000 1.167 570 K HN 0.583 nan 8.250 nan 0.000 0.431 571 E N 0.797 121.024 120.200 0.045 0.000 2.522 571 E HA 0.179 4.537 4.350 0.013 0.000 0.315 571 E C -1.891 174.698 176.600 -0.018 0.000 0.917 571 E CA -0.381 55.987 56.400 -0.054 0.000 0.796 571 E CB 0.865 30.495 29.700 -0.116 0.000 1.323 571 E HN 0.580 nan 8.360 nan 0.000 0.397 572 T N 2.170 116.671 114.554 -0.088 0.000 2.767 572 T HA 0.654 5.012 4.350 0.013 0.000 0.284 572 T C -0.316 174.211 174.700 -0.289 0.000 0.973 572 T CA -0.408 61.633 62.100 -0.099 0.000 0.996 572 T CB 0.020 68.899 68.868 0.019 0.000 0.927 572 T HN 0.193 nan 8.240 nan 0.000 0.456 573 F N 1.961 121.759 119.950 -0.253 0.000 2.364 573 F HA 0.658 5.193 4.527 0.013 0.000 0.316 573 F C 0.716 176.375 175.800 -0.234 0.000 1.133 573 F CA -1.038 56.851 58.000 -0.186 0.000 1.051 573 F CB 1.068 39.994 39.000 -0.124 0.000 1.342 573 F HN 0.619 nan 8.300 nan 0.000 0.507 574 D N -0.174 120.238 120.400 0.021 0.000 2.764 574 D HA 0.564 5.212 4.640 0.013 0.000 0.227 574 D C -1.585 174.660 176.300 -0.091 0.000 1.347 574 D CA -0.014 53.942 54.000 -0.073 0.000 0.953 574 D CB 1.771 42.526 40.800 -0.076 0.000 1.476 574 D HN 0.178 nan 8.370 nan 0.000 0.585 575 V N 1.767 121.574 119.914 -0.179 0.000 2.914 575 V HA 0.722 4.849 4.120 0.013 0.000 0.314 575 V C -0.261 175.721 176.094 -0.187 0.000 1.084 575 V CA -0.569 61.580 62.300 -0.252 0.000 0.963 575 V CB 2.419 33.883 31.823 -0.599 0.000 1.025 575 V HN 0.578 nan 8.190 nan 0.000 0.432 576 T N 4.421 118.887 114.554 -0.147 0.000 2.906 576 T HA 0.548 4.906 4.350 0.013 0.000 0.302 576 T C -0.743 173.911 174.700 -0.076 0.000 1.002 576 T CA -0.243 61.806 62.100 -0.084 0.000 0.988 576 T CB 0.700 69.535 68.868 -0.055 0.000 0.972 576 T HN 0.370 nan 8.240 nan 0.000 0.447 577 L N 3.761 124.958 121.223 -0.043 0.000 2.277 577 L HA 0.413 4.761 4.340 0.013 0.000 0.284 577 L C 0.608 177.477 176.870 -0.003 0.000 1.028 577 L CA -0.974 53.860 54.840 -0.010 0.000 0.835 577 L CB 0.858 42.943 42.059 0.044 0.000 1.215 577 L HN 0.479 nan 8.230 nan 0.000 0.425 578 E N 4.813 125.009 120.200 -0.006 0.000 2.409 578 E HA 0.162 4.520 4.350 0.013 0.000 0.257 578 E C -2.200 174.396 176.600 -0.007 0.000 1.150 578 E CA -1.617 54.774 56.400 -0.016 0.000 0.942 578 E CB 0.100 29.800 29.700 -0.001 0.000 0.979 578 E HN 0.297 nan 8.360 nan 0.000 0.447 579 P HA -0.031 nan 4.420 nan 0.000 0.269 579 P C 0.006 177.313 177.300 0.012 0.000 1.209 579 P CA -0.197 62.894 63.100 -0.016 0.000 0.776 579 P CB 0.486 32.185 31.700 -0.002 0.000 0.876 580 L N -1.023 120.202 121.223 0.003 0.000 3.737 580 L HA -0.206 4.141 4.340 0.013 0.000 0.418 580 L C 0.766 177.676 176.870 0.065 0.000 1.216 580 L CA 1.158 56.006 54.840 0.013 0.000 0.915 580 L CB -3.022 39.027 42.059 -0.016 0.000 1.834 580 L HN 0.437 nan 8.230 nan 0.000 0.943 581 S N -0.947 114.808 115.700 0.092 0.000 2.687 581 S HA 0.808 5.286 4.470 0.013 0.000 0.283 581 S C -0.621 174.115 174.600 0.228 0.000 1.170 581 S CA -0.451 57.826 58.200 0.127 0.000 1.008 581 S CB 1.235 64.484 63.200 0.082 0.000 1.026 581 S HN 0.231 nan 8.310 nan 0.000 0.541 582 F N 2.686 122.669 119.950 0.053 0.000 3.034 582 F HA 0.471 5.006 4.527 0.013 0.000 0.371 582 F C -0.812 175.034 175.800 0.077 0.000 1.233 582 F CA -0.458 57.583 58.000 0.068 0.000 1.134 582 F CB 0.750 39.777 39.000 0.044 0.000 1.495 582 F HN 0.462 nan 8.300 nan 0.000 0.563 583 K N 5.143 125.436 120.400 -0.178 0.000 2.244 583 K HA 0.419 4.746 4.320 0.013 0.000 0.260 583 K C -1.019 175.459 176.600 -0.203 0.000 0.951 583 K CA -1.041 55.183 56.287 -0.105 0.000 0.826 583 K CB 2.611 35.101 32.500 -0.015 0.000 1.108 583 K HN 0.485 nan 8.250 nan 0.000 0.433 584 K N 2.684 123.005 120.400 -0.133 0.000 2.292 584 K HA 0.238 4.566 4.320 0.013 0.000 0.257 584 K C -1.121 175.479 176.600 -0.001 0.000 0.940 584 K CA -0.450 55.769 56.287 -0.113 0.000 0.811 584 K CB 1.296 33.753 32.500 -0.072 0.000 1.120 584 K HN 0.529 nan 8.250 nan 0.000 0.428 585 E N 1.918 122.127 120.200 0.016 0.000 2.256 585 E HA 0.435 4.793 4.350 0.013 0.000 0.268 585 E C -1.450 175.189 176.600 0.065 0.000 0.877 585 E CA -1.073 55.372 56.400 0.075 0.000 0.757 585 E CB 2.099 31.893 29.700 0.157 0.000 1.183 585 E HN 0.629 nan 8.360 nan 0.000 0.418 586 A N 2.636 125.507 122.820 0.085 0.000 2.304 586 A HA 0.606 4.934 4.320 0.013 0.000 0.323 586 A C -0.291 177.354 177.584 0.102 0.000 1.195 586 A CA -0.509 51.572 52.037 0.073 0.000 0.826 586 A CB 0.879 19.912 19.000 0.055 0.000 1.184 586 A HN 0.375 nan 8.150 nan 0.000 0.496 587 V N 1.950 121.918 119.914 0.090 0.000 3.211 587 V HA 0.618 4.746 4.120 0.013 0.000 0.319 587 V C -0.275 175.833 176.094 0.025 0.000 1.096 587 V CA -0.647 61.705 62.300 0.086 0.000 1.029 587 V CB 1.835 33.726 31.823 0.114 0.000 1.137 587 V HN 0.820 nan 8.190 nan 0.000 0.453 588 L N 2.405 123.625 121.223 -0.005 0.000 2.482 588 L HA 0.537 4.884 4.340 0.013 0.000 0.269 588 L C -1.361 175.457 176.870 -0.087 0.000 0.967 588 L CA -0.380 54.435 54.840 -0.041 0.000 0.851 588 L CB 1.368 43.416 42.059 -0.018 0.000 1.242 588 L HN 0.414 nan 8.230 nan 0.000 0.404 589 I N 3.683 124.117 120.570 -0.226 0.000 2.342 589 I HA 0.335 4.512 4.170 0.013 0.000 0.291 589 I C 0.009 175.980 176.117 -0.243 0.000 1.010 589 I CA -0.132 61.017 61.300 -0.252 0.000 1.308 589 I CB 1.317 38.974 38.000 -0.570 0.000 1.400 589 I HN 0.713 nan 8.210 nan 0.000 0.488 590 Q N 3.750 123.499 119.800 -0.084 0.000 2.293 590 Q HA 0.550 4.897 4.340 0.013 0.000 0.261 590 Q C 0.974 176.831 176.000 -0.238 0.000 0.960 590 Q CA -0.383 55.357 55.803 -0.105 0.000 0.882 590 Q CB 2.039 30.734 28.738 -0.071 0.000 1.275 590 Q HN 0.789 nan 8.270 nan 0.000 0.445 591 A N 3.418 126.045 122.820 -0.322 0.000 1.954 591 A HA -0.294 4.034 4.320 0.013 0.000 0.222 591 A C 1.704 178.780 177.584 -0.847 0.000 1.199 591 A CA 2.408 53.971 52.037 -0.789 0.000 0.657 591 A CB -1.448 17.354 19.000 -0.329 0.000 0.823 591 A HN 0.991 nan 8.150 nan 0.000 0.463 592 G N -0.930 107.638 108.800 -0.387 0.000 2.448 592 G HA2 -0.157 3.810 3.960 0.013 0.000 0.219 592 G HA3 -0.157 3.810 3.960 0.013 0.000 0.219 592 G C 1.297 176.082 174.900 -0.192 0.000 1.127 592 G CA 0.871 45.822 45.100 -0.249 0.000 0.766 592 G HN 0.739 nan 8.290 nan 0.000 0.552 593 E N -0.603 119.506 120.200 -0.152 0.000 2.268 593 E HA -0.114 4.244 4.350 0.013 0.000 0.195 593 E C 1.868 178.527 176.600 0.098 0.000 0.995 593 E CA 1.217 57.658 56.400 0.068 0.000 0.836 593 E CB -0.131 29.712 29.700 0.239 0.000 0.763 593 E HN 0.873 nan 8.360 nan 0.000 0.491 594 Y N -3.112 117.129 120.300 -0.099 0.000 2.638 594 Y HA 0.256 4.813 4.550 0.013 0.000 0.275 594 Y C 1.991 177.790 175.900 -0.167 0.000 1.122 594 Y CA -0.399 57.513 58.100 -0.313 0.000 1.266 594 Y CB -0.383 37.749 38.460 -0.546 0.000 1.317 594 Y HN -0.219 nan 8.280 nan 0.000 0.501 595 M N 1.843 121.384 119.600 -0.099 0.000 2.252 595 M HA -0.185 4.303 4.480 0.013 0.000 0.255 595 M C 2.028 178.333 176.300 0.009 0.000 1.085 595 M CA 1.706 57.006 55.300 0.000 0.000 1.059 595 M CB -1.691 30.825 32.600 -0.139 0.000 1.375 595 M HN 0.671 nan 8.290 nan 0.000 0.409 596 G N -0.690 108.101 108.800 -0.014 0.000 2.403 596 G HA2 -0.137 3.831 3.960 0.013 0.000 0.216 596 G HA3 -0.137 3.831 3.960 0.013 0.000 0.216 596 G C 1.103 176.004 174.900 0.002 0.000 1.154 596 G CA 0.095 45.193 45.100 -0.004 0.000 0.784 596 G HN 0.581 nan 8.290 nan 0.000 0.538 597 Q N 0.265 120.064 119.800 -0.002 0.000 2.302 597 Q HA 0.392 4.739 4.340 0.013 0.000 0.332 597 Q C -0.524 175.443 176.000 -0.056 0.000 0.913 597 Q CA -0.267 55.524 55.803 -0.021 0.000 1.098 597 Q CB 0.803 29.537 28.738 -0.007 0.000 1.236 597 Q HN 0.307 nan 8.270 nan 0.000 0.436 598 L N 1.278 122.477 121.223 -0.039 0.000 2.350 598 L HA 0.376 4.724 4.340 0.013 0.000 0.275 598 L C 0.009 176.824 176.870 -0.092 0.000 1.099 598 L CA -0.427 54.370 54.840 -0.070 0.000 0.808 598 L CB 0.845 42.889 42.059 -0.026 0.000 1.149 598 L HN 0.169 nan 8.230 nan 0.000 0.442 599 L N 2.032 123.167 121.223 -0.146 0.000 2.399 599 L HA 0.175 4.523 4.340 0.013 0.000 0.265 599 L C 1.592 178.417 176.870 -0.075 0.000 1.089 599 L CA -0.500 54.232 54.840 -0.180 0.000 0.802 599 L CB 1.102 42.920 42.059 -0.401 0.000 1.180 599 L HN 0.704 nan 8.230 nan 0.000 0.454 600 E N 0.393 120.589 120.200 -0.006 0.000 2.271 600 E HA -0.348 4.010 4.350 0.013 0.000 0.209 600 E C 0.999 177.582 176.600 -0.028 0.000 1.046 600 E CA 1.923 58.354 56.400 0.051 0.000 0.840 600 E CB -0.150 29.655 29.700 0.174 0.000 0.738 600 E HN 0.720 nan 8.360 nan 0.000 0.470 601 Q N -0.375 119.382 119.800 -0.072 0.000 2.282 601 Q HA 0.336 4.683 4.340 0.013 0.000 0.206 601 Q C 0.405 176.367 176.000 -0.064 0.000 0.878 601 Q CA 0.346 56.040 55.803 -0.182 0.000 0.944 601 Q CB 0.979 29.581 28.738 -0.227 0.000 1.100 601 Q HN 0.455 nan 8.270 nan 0.000 0.509 602 A N 0.883 123.671 122.820 -0.052 0.000 2.914 602 A HA -0.163 4.165 4.320 0.013 0.000 0.280 602 A C 0.114 177.659 177.584 -0.065 0.000 1.447 602 A CA 0.438 52.434 52.037 -0.067 0.000 0.759 602 A CB -2.006 16.962 19.000 -0.054 0.000 1.034 602 A HN 0.230 nan 8.150 nan 0.000 0.529 603 S N -1.047 114.634 115.700 -0.032 0.000 2.586 603 S HA 0.715 5.192 4.470 0.013 0.000 0.274 603 S C -0.155 174.422 174.600 -0.037 0.000 1.281 603 S CA -0.174 58.031 58.200 0.008 0.000 1.035 603 S CB 0.894 64.147 63.200 0.088 0.000 0.962 603 S HN 0.700 nan 8.310 nan 0.000 0.512 604 L N 3.160 124.363 121.223 -0.033 0.000 2.431 604 L HA 0.440 4.788 4.340 0.013 0.000 0.266 604 L C -0.574 176.206 176.870 -0.151 0.000 0.978 604 L CA -0.384 54.392 54.840 -0.107 0.000 0.822 604 L CB 1.843 43.821 42.059 -0.134 0.000 1.310 604 L HN 0.668 nan 8.230 nan 0.000 0.409 605 H N 3.466 122.372 119.070 -0.274 0.000 2.539 605 H HA 0.482 5.046 4.556 0.013 0.000 0.332 605 H C -1.629 173.487 175.328 -0.354 0.000 1.031 605 H CA -0.421 55.502 56.048 -0.208 0.000 1.206 605 H CB 0.979 30.699 29.762 -0.071 0.000 1.446 605 H HN 0.292 nan 8.280 nan 0.000 0.496 606 F N 5.159 125.199 119.950 0.150 0.000 2.444 606 F HA 0.332 4.866 4.527 0.013 0.000 0.342 606 F C -0.429 175.483 175.800 0.186 0.000 1.121 606 F CA -0.611 57.517 58.000 0.213 0.000 0.997 606 F CB 0.873 40.028 39.000 0.258 0.000 1.130 606 F HN 0.343 nan 8.300 nan 0.000 0.454 607 F N 1.993 122.171 119.950 0.380 0.000 2.522 607 F HA 0.758 5.293 4.527 0.013 0.000 0.324 607 F C -0.581 175.242 175.800 0.038 0.000 1.077 607 F CA -1.326 56.830 58.000 0.259 0.000 0.944 607 F CB 2.082 41.209 39.000 0.211 0.000 1.175 607 F HN 0.021 nan 8.300 nan 0.000 0.468 608 V N 2.697 122.786 119.914 0.293 0.000 2.568 608 V HA 0.303 4.431 4.120 0.013 0.000 0.276 608 V C -0.651 175.491 176.094 0.080 0.000 1.002 608 V CA -0.772 61.547 62.300 0.031 0.000 0.879 608 V CB 1.404 33.027 31.823 -0.333 0.000 1.040 608 V HN 0.825 nan 8.190 nan 0.000 0.457 609 T N 2.106 116.727 114.554 0.112 0.000 2.943 609 T HA 0.943 5.301 4.350 0.013 0.000 0.284 609 T C -0.013 174.786 174.700 0.166 0.000 1.015 609 T CA -0.436 61.714 62.100 0.083 0.000 1.042 609 T CB 2.333 71.239 68.868 0.063 0.000 1.055 609 T HN 1.127 nan 8.240 nan 0.000 0.500 610 A N 1.369 124.259 122.820 0.117 0.000 2.605 610 A HA 0.771 5.099 4.320 0.013 0.000 0.294 610 A C -1.085 176.544 177.584 0.076 0.000 1.062 610 A CA -0.995 51.111 52.037 0.114 0.000 0.682 610 A CB 1.523 20.603 19.000 0.132 0.000 1.278 610 A HN 0.812 nan 8.150 nan 0.000 0.410 611 R N 1.969 122.505 120.500 0.061 0.000 2.502 611 R HA 0.516 4.864 4.340 0.013 0.000 0.300 611 R C -1.247 175.044 176.300 -0.014 0.000 0.984 611 R CA -0.798 55.320 56.100 0.030 0.000 0.882 611 R CB 0.822 31.161 30.300 0.066 0.000 1.180 611 R HN 0.606 nan 8.270 nan 0.000 0.444 612 I N 5.128 125.663 120.570 -0.057 0.000 2.389 612 I HA -0.032 4.146 4.170 0.013 0.000 0.295 612 I C 1.025 177.125 176.117 -0.029 0.000 1.117 612 I CA 0.027 61.272 61.300 -0.092 0.000 1.317 612 I CB 0.095 37.939 38.000 -0.260 0.000 1.431 612 I HN 0.674 nan 8.210 nan 0.000 0.521 613 N N 4.684 123.387 118.700 0.006 0.000 2.184 613 N HA -0.224 4.524 4.740 0.013 0.000 0.190 613 N C 1.405 176.942 175.510 0.044 0.000 1.011 613 N CA 1.438 54.504 53.050 0.026 0.000 0.867 613 N CB 0.225 38.727 38.487 0.024 0.000 0.993 613 N HN 0.521 nan 8.380 nan 0.000 0.433 614 E N -0.580 119.670 120.200 0.083 0.000 2.015 614 E HA -0.081 4.276 4.350 0.013 0.000 0.191 614 E C 2.172 178.819 176.600 0.079 0.000 0.991 614 E CA 1.861 58.328 56.400 0.112 0.000 0.802 614 E CB -0.635 29.209 29.700 0.240 0.000 0.759 614 E HN 0.585 nan 8.360 nan 0.000 0.447 615 T N -2.725 111.861 114.554 0.053 0.000 3.054 615 T HA 0.136 4.494 4.350 0.013 0.000 0.259 615 T C 0.956 175.658 174.700 0.003 0.000 1.092 615 T CA 0.443 62.555 62.100 0.021 0.000 1.121 615 T CB 0.065 68.914 68.868 -0.032 0.000 0.912 615 T HN 0.107 nan 8.240 nan 0.000 0.489 616 R N 0.766 121.263 120.500 -0.004 0.000 3.872 616 R HA -0.108 4.240 4.340 0.013 0.000 0.341 616 R C -1.215 175.081 176.300 -0.006 0.000 1.172 616 R CA 0.660 56.762 56.100 0.003 0.000 0.901 616 R CB -1.785 28.524 30.300 0.015 0.000 1.422 616 R HN 0.505 nan 8.270 nan 0.000 0.523 617 D N -0.103 120.277 120.400 -0.034 0.000 2.362 617 D HA 0.216 4.863 4.640 0.013 0.000 0.242 617 D C 0.094 176.380 176.300 -0.024 0.000 1.132 617 D CA 0.209 54.188 54.000 -0.034 0.000 0.907 617 D CB 1.230 41.988 40.800 -0.071 0.000 1.195 617 D HN -0.132 nan 8.370 nan 0.000 0.429 618 V N 2.753 122.658 119.914 -0.014 0.000 2.409 618 V HA 0.295 4.422 4.120 0.013 0.000 0.291 618 V C 0.173 176.239 176.094 -0.046 0.000 1.020 618 V CA -0.657 61.631 62.300 -0.019 0.000 0.848 618 V CB 1.450 33.267 31.823 -0.011 0.000 0.990 618 V HN 0.283 nan 8.190 nan 0.000 0.430 619 L N 4.456 125.648 121.223 -0.051 0.000 2.309 619 L HA 0.914 5.262 4.340 0.013 0.000 0.282 619 L C 0.116 176.898 176.870 -0.146 0.000 1.036 619 L CA -0.353 54.447 54.840 -0.067 0.000 0.806 619 L CB 1.785 43.837 42.059 -0.012 0.000 1.220 619 L HN 0.741 nan 8.230 nan 0.000 0.429 620 A N 3.583 126.260 122.820 -0.239 0.000 2.459 620 A HA 0.814 5.142 4.320 0.013 0.000 0.296 620 A C -1.225 176.225 177.584 -0.223 0.000 1.039 620 A CA -0.681 51.105 52.037 -0.419 0.000 0.698 620 A CB 1.909 20.157 19.000 -1.253 0.000 1.261 620 A HN 0.483 nan 8.150 nan 0.000 0.405 621 K N 0.824 121.225 120.400 0.001 0.000 2.508 621 K HA 0.628 4.956 4.320 0.013 0.000 0.260 621 K C -1.262 175.538 176.600 0.333 0.000 0.949 621 K CA -0.303 56.077 56.287 0.154 0.000 0.834 621 K CB 2.314 34.937 32.500 0.205 0.000 1.365 621 K HN 1.016 nan 8.250 nan 0.000 0.437 622 Q N 0.797 120.692 119.800 0.158 0.000 2.435 622 Q HA 0.655 5.003 4.340 0.013 0.000 0.282 622 Q C -1.163 174.768 176.000 -0.115 0.000 1.020 622 Q CA -1.085 54.740 55.803 0.037 0.000 0.820 622 Q CB 2.846 31.376 28.738 -0.348 0.000 1.436 622 Q HN 0.361 nan 8.270 nan 0.000 0.395 623 K N 0.310 120.667 120.400 -0.071 0.000 2.507 623 K HA 0.752 5.079 4.320 0.013 0.000 0.284 623 K C -1.290 175.278 176.600 -0.053 0.000 1.038 623 K CA -0.848 55.418 56.287 -0.035 0.000 0.903 623 K CB 2.508 34.944 32.500 -0.106 0.000 1.531 623 K HN 0.723 nan 8.250 nan 0.000 0.430 624 S N -0.017 115.760 115.700 0.129 0.000 2.618 624 S HA 0.720 5.197 4.470 0.013 0.000 0.277 624 S C -1.321 173.367 174.600 0.147 0.000 1.138 624 S CA -0.881 57.389 58.200 0.116 0.000 0.844 624 S CB 2.101 65.415 63.200 0.190 0.000 1.127 624 S HN 0.743 nan 8.310 nan 0.000 0.474 625 T N -1.820 112.801 114.554 0.113 0.000 2.840 625 T HA 0.716 5.074 4.350 0.013 0.000 0.317 625 T C -1.083 173.615 174.700 -0.003 0.000 1.401 625 T CA -0.874 61.253 62.100 0.045 0.000 1.028 625 T CB 0.859 69.760 68.868 0.054 0.000 1.317 625 T HN 1.266 nan 8.240 nan 0.000 0.495 626 V N 0.017 119.899 119.914 -0.054 0.000 2.735 626 V HA 0.733 4.861 4.120 0.013 0.000 0.310 626 V C -0.510 175.521 176.094 -0.105 0.000 1.061 626 V CA -1.326 60.940 62.300 -0.057 0.000 0.913 626 V CB 1.552 33.366 31.823 -0.015 0.000 1.005 626 V HN 1.057 nan 8.190 nan 0.000 0.428 627 L N 3.435 124.592 121.223 -0.109 0.000 2.361 627 L HA 0.283 4.630 4.340 0.013 0.000 0.278 627 L C 0.787 177.630 176.870 -0.045 0.000 1.113 627 L CA -0.031 54.744 54.840 -0.108 0.000 0.849 627 L CB 1.071 43.065 42.059 -0.108 0.000 1.155 627 L HN 0.803 nan 8.230 nan 0.000 0.452 628 T N 5.236 119.763 114.554 -0.046 0.000 2.800 628 T HA 0.174 4.532 4.350 0.013 0.000 0.266 628 T C 0.439 175.154 174.700 0.025 0.000 0.939 628 T CA 0.070 62.161 62.100 -0.015 0.000 1.199 628 T CB -0.713 68.141 68.868 -0.022 0.000 0.899 628 T HN 0.258 nan 8.240 nan 0.000 0.555 629 I N 6.944 127.541 120.570 0.046 0.000 2.441 629 I HA 0.219 4.397 4.170 0.013 0.000 0.287 629 I C -1.320 174.846 176.117 0.081 0.000 1.049 629 I CA -2.152 59.191 61.300 0.072 0.000 1.381 629 I CB 0.638 38.682 38.000 0.074 0.000 1.409 629 I HN 0.362 nan 8.210 nan 0.000 0.523 630 P HA 0.120 nan 4.420 nan 0.000 0.275 630 P C -0.728 176.667 177.300 0.158 0.000 1.227 630 P CA -0.510 62.663 63.100 0.123 0.000 0.781 630 P CB 0.582 32.356 31.700 0.123 0.000 0.906 631 E N 2.821 123.089 120.200 0.114 0.000 2.438 631 E HA 0.143 4.501 4.350 0.013 0.000 0.261 631 E C -0.159 176.535 176.600 0.157 0.000 1.103 631 E CA -0.393 56.067 56.400 0.099 0.000 0.959 631 E CB 0.333 30.076 29.700 0.071 0.000 0.958 631 E HN 0.362 nan 8.360 nan 0.000 0.447 632 I N 1.440 122.067 120.570 0.095 0.000 2.488 632 I HA 0.189 4.367 4.170 0.013 0.000 0.299 632 I C 0.085 176.269 176.117 0.112 0.000 0.984 632 I CA -0.995 60.387 61.300 0.136 0.000 1.250 632 I CB 1.091 39.092 38.000 0.002 0.000 1.389 632 I HN 0.461 nan 8.210 nan 0.000 0.488 633 I N 6.206 126.851 120.570 0.125 0.000 2.336 633 I HA 0.397 4.575 4.170 0.013 0.000 0.292 633 I C -0.080 176.071 176.117 0.058 0.000 0.991 633 I CA -0.343 61.003 61.300 0.077 0.000 1.227 633 I CB 1.340 39.379 38.000 0.065 0.000 1.366 633 I HN 0.336 nan 8.210 nan 0.000 0.466 634 I N 7.629 128.218 120.570 0.031 0.000 2.406 634 I HA 0.373 4.551 4.170 0.013 0.000 0.290 634 I C -0.345 175.771 176.117 -0.002 0.000 0.999 634 I CA -0.719 60.586 61.300 0.007 0.000 1.124 634 I CB 1.602 39.596 38.000 -0.011 0.000 1.289 634 I HN 0.491 nan 8.210 nan 0.000 0.441 635 K N 5.799 126.193 120.400 -0.011 0.000 2.525 635 K HA 0.768 5.095 4.320 0.013 0.000 0.254 635 K C -1.318 175.266 176.600 -0.027 0.000 0.934 635 K CA -0.833 55.446 56.287 -0.013 0.000 0.802 635 K CB 2.582 35.081 32.500 -0.002 0.000 1.295 635 K HN 0.387 nan 8.250 nan 0.000 0.433 636 V N -0.681 119.215 119.914 -0.030 0.000 2.864 636 V HA 0.724 4.851 4.120 0.013 0.000 0.314 636 V C -0.950 175.127 176.094 -0.028 0.000 1.073 636 V CA -1.026 61.250 62.300 -0.039 0.000 0.956 636 V CB 1.664 33.455 31.823 -0.053 0.000 1.023 636 V HN 0.903 nan 8.190 nan 0.000 0.435 637 R N 1.866 122.349 120.500 -0.028 0.000 2.725 637 R HA 0.909 5.257 4.340 0.013 0.000 0.277 637 R C 0.030 176.318 176.300 -0.021 0.000 0.987 637 R CA -0.183 55.905 56.100 -0.020 0.000 0.901 637 R CB 2.180 32.472 30.300 -0.013 0.000 1.207 637 R HN 1.657 nan 8.270 nan 0.000 0.463 638 G N 0.162 108.951 108.800 -0.017 0.000 2.315 638 G HA2 -0.100 3.868 3.960 0.013 0.000 0.296 638 G HA3 -0.100 3.868 3.960 0.013 0.000 0.296 638 G C -1.000 173.891 174.900 -0.015 0.000 1.289 638 G CA -0.622 44.469 45.100 -0.015 0.000 0.996 638 G HN 0.632 nan 8.290 nan 0.000 0.487 639 T N -1.891 112.655 114.554 -0.013 0.000 2.738 639 T HA 0.507 4.865 4.350 0.013 0.000 0.294 639 T C 0.472 175.160 174.700 -0.019 0.000 0.914 639 T CA 0.062 62.155 62.100 -0.012 0.000 1.052 639 T CB 1.449 70.313 68.868 -0.006 0.000 0.897 639 T HN 0.616 nan 8.240 nan 0.000 0.522 640 Q N 2.708 122.494 119.800 -0.022 0.000 3.170 640 Q HA 0.430 4.778 4.340 0.013 0.000 0.346 640 Q C -0.920 175.063 176.000 -0.029 0.000 1.333 640 Q CA -0.204 55.580 55.803 -0.032 0.000 0.958 640 Q CB -0.150 28.570 28.738 -0.030 0.000 1.600 640 Q HN 0.690 nan 8.270 nan 0.000 0.482 641 V N 0.417 120.317 119.914 -0.024 0.000 2.925 641 V HA 0.330 4.458 4.120 0.013 0.000 0.311 641 V C -0.176 175.911 176.094 -0.012 0.000 1.104 641 V CA -1.061 61.230 62.300 -0.016 0.000 0.954 641 V CB 2.307 34.127 31.823 -0.006 0.000 1.022 641 V HN 0.077 nan 8.190 nan 0.000 0.427 642 V N 3.660 123.571 119.914 -0.006 0.000 2.814 642 V HA 0.285 4.413 4.120 0.013 0.000 0.307 642 V C 1.688 177.806 176.094 0.039 0.000 1.089 642 V CA 1.804 64.113 62.300 0.015 0.000 1.212 642 V CB 0.286 32.128 31.823 0.031 0.000 0.912 642 V HN 1.418 nan 8.190 nan 0.000 0.497 643 G N 3.833 112.676 108.800 0.071 0.000 2.270 643 G HA2 -0.292 3.676 3.960 0.013 0.000 0.268 643 G HA3 -0.292 3.676 3.960 0.013 0.000 0.268 643 G C 0.401 175.330 174.900 0.049 0.000 0.982 643 G CA 0.450 45.594 45.100 0.075 0.000 0.628 643 G HN 0.845 nan 8.290 nan 0.000 0.544 644 S N 1.781 117.499 115.700 0.030 0.000 2.452 644 S HA 0.488 4.966 4.470 0.013 0.000 0.284 644 S C -0.160 174.447 174.600 0.012 0.000 1.171 644 S CA -0.650 57.560 58.200 0.017 0.000 1.064 644 S CB 1.380 64.584 63.200 0.006 0.000 0.967 644 S HN 0.339 nan 8.310 nan 0.000 0.484 645 D N 2.385 122.794 120.400 0.015 0.000 2.478 645 D HA 0.190 4.838 4.640 0.013 0.000 0.234 645 D C -0.049 176.248 176.300 -0.005 0.000 1.154 645 D CA 0.880 54.886 54.000 0.010 0.000 0.874 645 D CB 0.251 41.057 40.800 0.011 0.000 1.198 645 D HN 0.406 nan 8.370 nan 0.000 0.455 646 M N 0.575 120.167 119.600 -0.015 0.000 2.421 646 M HA 0.262 4.750 4.480 0.013 0.000 0.287 646 M C -1.484 174.793 176.300 -0.039 0.000 1.183 646 M CA -0.472 54.810 55.300 -0.030 0.000 0.916 646 M CB 2.090 34.663 32.600 -0.045 0.000 1.701 646 M HN 0.197 nan 8.290 nan 0.000 0.470 647 T N 3.085 117.614 114.554 -0.041 0.000 2.794 647 T HA 0.588 4.946 4.350 0.013 0.000 0.280 647 T C -0.858 173.800 174.700 -0.069 0.000 0.987 647 T CA -0.512 61.558 62.100 -0.050 0.000 0.993 647 T CB 1.420 70.269 68.868 -0.031 0.000 0.939 647 T HN 0.429 nan 8.240 nan 0.000 0.449 648 V N 3.803 123.654 119.914 -0.105 0.000 2.370 648 V HA 0.415 4.543 4.120 0.013 0.000 0.283 648 V C 0.254 176.269 176.094 -0.132 0.000 1.023 648 V CA -0.704 61.520 62.300 -0.128 0.000 0.857 648 V CB 1.637 33.352 31.823 -0.181 0.000 0.985 648 V HN 0.972 nan 8.190 nan 0.000 0.443 649 T N 4.858 119.366 114.554 -0.076 0.000 2.756 649 T HA 0.529 4.887 4.350 0.013 0.000 0.290 649 T C -0.256 174.438 174.700 -0.010 0.000 0.985 649 T CA -0.288 61.792 62.100 -0.032 0.000 0.955 649 T CB 1.268 70.135 68.868 -0.002 0.000 0.930 649 T HN 0.334 nan 8.240 nan 0.000 0.451 650 V N 4.693 124.624 119.914 0.028 0.000 2.513 650 V HA 0.595 4.722 4.120 0.013 0.000 0.299 650 V C -0.176 176.019 176.094 0.168 0.000 1.035 650 V CA -0.822 61.538 62.300 0.100 0.000 0.889 650 V CB 1.542 33.460 31.823 0.158 0.000 0.988 650 V HN 0.991 nan 8.190 nan 0.000 0.440 651 E N 4.404 124.690 120.200 0.144 0.000 2.304 651 E HA 0.577 4.935 4.350 0.013 0.000 0.277 651 E C -1.716 174.992 176.600 0.181 0.000 0.898 651 E CA -0.716 55.762 56.400 0.130 0.000 0.764 651 E CB 2.251 31.994 29.700 0.071 0.000 1.216 651 E HN 0.353 nan 8.360 nan 0.000 0.419 652 F N 1.707 121.627 119.950 -0.049 0.000 2.520 652 F HA 0.517 5.052 4.527 0.013 0.000 0.322 652 F C -0.943 174.805 175.800 -0.087 0.000 1.103 652 F CA -0.863 57.100 58.000 -0.061 0.000 0.926 652 F CB 2.437 41.393 39.000 -0.072 0.000 1.154 652 F HN 0.450 nan 8.300 nan 0.000 0.453 653 T N 5.113 119.223 114.554 -0.741 0.000 2.770 653 T HA 0.125 4.483 4.350 0.013 0.000 0.297 653 T C -0.317 173.814 174.700 -0.948 0.000 0.997 653 T CA -0.572 61.145 62.100 -0.637 0.000 0.949 653 T CB 0.052 68.720 68.868 -0.333 0.000 0.941 653 T HN 0.535 nan 8.240 nan 0.000 0.457 654 N N 5.653 123.934 118.700 -0.698 0.000 2.394 654 N HA -0.014 4.734 4.740 0.013 0.000 0.282 654 N C -1.245 174.080 175.510 -0.307 0.000 1.351 654 N CA -1.652 51.108 53.050 -0.484 0.000 0.936 654 N CB 0.777 39.118 38.487 -0.244 0.000 1.274 654 N HN 0.288 nan 8.380 nan 0.000 0.489 655 P HA 0.013 nan 4.420 nan 0.000 0.249 655 P C 0.109 177.383 177.300 -0.042 0.000 1.229 655 P CA 0.397 63.432 63.100 -0.109 0.000 0.788 655 P CB 0.481 32.156 31.700 -0.041 0.000 1.072 656 L N 0.435 121.636 121.223 -0.037 0.000 2.379 656 L HA 0.282 4.630 4.340 0.013 0.000 0.269 656 L C 1.428 178.284 176.870 -0.025 0.000 1.084 656 L CA -0.711 54.124 54.840 -0.009 0.000 0.802 656 L CB 1.012 43.079 42.059 0.012 0.000 1.175 656 L HN -0.311 nan 8.230 nan 0.000 0.448 657 K N 1.622 122.013 120.400 -0.015 0.000 2.551 657 K HA 0.212 4.540 4.320 0.013 0.000 0.204 657 K C -0.389 176.200 176.600 -0.018 0.000 1.033 657 K CA 0.164 56.439 56.287 -0.020 0.000 1.187 657 K CB 0.102 32.592 32.500 -0.017 0.000 0.900 657 K HN 0.580 nan 8.250 nan 0.000 0.499 658 E N -0.661 119.530 120.200 -0.015 0.000 2.423 658 E HA 0.171 4.529 4.350 0.013 0.000 0.269 658 E C -0.901 175.692 176.600 -0.012 0.000 0.948 658 E CA -0.683 55.711 56.400 -0.010 0.000 0.802 658 E CB 1.386 31.085 29.700 -0.001 0.000 1.339 658 E HN -0.151 nan 8.360 nan 0.000 0.445 659 T N 1.119 115.668 114.554 -0.009 0.000 2.729 659 T HA 0.307 4.665 4.350 0.013 0.000 0.296 659 T C -0.513 174.188 174.700 0.003 0.000 0.928 659 T CA -0.460 61.635 62.100 -0.009 0.000 1.045 659 T CB -0.194 68.668 68.868 -0.010 0.000 0.902 659 T HN 0.242 nan 8.240 nan 0.000 0.500 660 L N 6.679 127.905 121.223 0.006 0.000 2.312 660 L HA 0.411 4.759 4.340 0.013 0.000 0.287 660 L C 1.276 178.157 176.870 0.018 0.000 1.091 660 L CA -0.714 54.143 54.840 0.027 0.000 0.846 660 L CB 0.233 42.323 42.059 0.052 0.000 1.219 660 L HN 0.442 nan 8.230 nan 0.000 0.439 661 R N 2.958 123.468 120.500 0.017 0.000 2.582 661 R HA 0.118 4.466 4.340 0.013 0.000 0.271 661 R C 0.144 176.442 176.300 -0.003 0.000 1.078 661 R CA -0.498 55.605 56.100 0.004 0.000 1.127 661 R CB 0.642 30.947 30.300 0.008 0.000 1.038 661 R HN 0.574 nan 8.270 nan 0.000 0.500 662 N N 0.433 119.103 118.700 -0.050 0.000 2.666 662 N HA -0.169 4.579 4.740 0.013 0.000 0.274 662 N C -0.873 174.536 175.510 -0.169 0.000 1.043 662 N CA 0.578 53.548 53.050 -0.134 0.000 0.782 662 N CB -0.916 37.545 38.487 -0.044 0.000 0.912 662 N HN 0.237 nan 8.380 nan 0.000 0.556 663 V N 1.022 120.838 119.914 -0.163 0.000 2.408 663 V HA 0.243 4.371 4.120 0.013 0.000 0.267 663 V C 0.622 176.627 176.094 -0.147 0.000 1.047 663 V CA -0.573 61.697 62.300 -0.051 0.000 0.937 663 V CB 0.190 32.058 31.823 0.075 0.000 0.999 663 V HN 0.273 nan 8.190 nan 0.000 0.472 664 W N 3.372 124.717 121.300 0.074 0.000 2.469 664 W HA 0.673 5.338 4.660 0.007 0.000 0.320 664 W C -0.453 176.115 176.519 0.082 0.000 1.086 664 W CA -0.624 56.731 57.345 0.016 0.000 1.211 664 W CB 1.676 31.177 29.460 0.069 0.000 1.298 664 W HN 0.303 nan 8.180 nan 0.000 0.525 665 V N 3.808 123.869 119.914 0.245 0.000 2.540 665 V HA 0.337 4.464 4.120 0.013 0.000 0.302 665 V C -0.303 175.950 176.094 0.265 0.000 1.035 665 V CA -1.034 61.441 62.300 0.291 0.000 0.873 665 V CB 1.299 33.335 31.823 0.356 0.000 0.992 665 V HN 0.480 nan 8.190 nan 0.000 0.428 666 H N 4.430 123.671 119.070 0.286 0.000 2.489 666 H HA 0.543 5.107 4.556 0.013 0.000 0.343 666 H C -1.077 174.410 175.328 0.264 0.000 1.086 666 H CA -0.686 55.528 56.048 0.276 0.000 1.198 666 H CB 2.751 32.574 29.762 0.102 0.000 1.490 666 H HN 0.418 nan 8.280 nan 0.000 0.504 667 L N 3.243 124.669 121.223 0.339 0.000 2.322 667 L HA 0.396 4.743 4.340 0.013 0.000 0.281 667 L C -0.672 176.231 176.870 0.055 0.000 1.014 667 L CA -0.102 54.793 54.840 0.091 0.000 0.815 667 L CB 1.354 43.295 42.059 -0.197 0.000 1.247 667 L HN 0.629 nan 8.230 nan 0.000 0.421 668 D N 2.227 122.623 120.400 -0.006 0.000 2.626 668 D HA 0.832 5.480 4.640 0.013 0.000 0.278 668 D C -1.156 175.098 176.300 -0.077 0.000 1.211 668 D CA 0.192 54.174 54.000 -0.030 0.000 0.903 668 D CB 2.547 43.310 40.800 -0.060 0.000 1.408 668 D HN 0.764 nan 8.370 nan 0.000 0.454 669 G N 1.656 110.403 108.800 -0.088 0.000 2.040 669 G HA2 0.181 4.149 3.960 0.013 0.000 0.195 669 G HA3 0.181 4.149 3.960 0.013 0.000 0.195 669 G C -3.090 171.725 174.900 -0.142 0.000 2.245 669 G CA -0.867 44.154 45.100 -0.131 0.000 0.911 669 G HN 0.260 nan 8.290 nan 0.000 0.566 670 P HA 0.367 nan 4.420 nan 0.000 0.271 670 P C 1.210 178.388 177.300 -0.203 0.000 1.226 670 P CA 1.624 64.684 63.100 -0.066 0.000 0.765 670 P CB 1.326 33.021 31.700 -0.007 0.000 0.835 671 G N 2.096 110.682 108.800 -0.356 0.000 2.241 671 G HA2 -0.272 3.696 3.960 0.013 0.000 0.244 671 G HA3 -0.272 3.696 3.960 0.013 0.000 0.244 671 G C 0.570 174.628 174.900 -1.404 0.000 0.998 671 G CA 0.265 44.852 45.100 -0.855 0.000 0.621 671 G HN 0.400 nan 8.290 nan 0.000 0.519 672 V N -0.678 118.669 119.914 -0.945 0.000 2.854 672 V HA 0.505 4.632 4.120 0.013 0.000 0.236 672 V C 1.110 176.879 176.094 -0.542 0.000 1.157 672 V CA 1.921 63.807 62.300 -0.691 0.000 1.187 672 V CB 0.896 32.498 31.823 -0.368 0.000 0.949 672 V HN 0.721 nan 8.190 nan 0.000 0.488 673 T N -0.650 113.735 114.554 -0.282 0.000 2.883 673 T HA 0.597 4.955 4.350 0.013 0.000 0.301 673 T C -1.047 173.781 174.700 0.214 0.000 1.158 673 T CA -0.546 61.582 62.100 0.046 0.000 1.007 673 T CB 2.124 70.981 68.868 -0.018 0.000 1.186 673 T HN 0.103 nan 8.240 nan 0.000 0.499 674 R N 2.469 123.143 120.500 0.291 0.000 2.560 674 R HA 0.551 4.898 4.340 0.013 0.000 0.270 674 R C -2.226 174.154 176.300 0.134 0.000 1.074 674 R CA -1.790 54.446 56.100 0.227 0.000 1.140 674 R CB 0.408 30.813 30.300 0.176 0.000 1.073 674 R HN 0.455 nan 8.270 nan 0.000 0.527 675 P HA 0.055 nan 4.420 nan 0.000 0.268 675 P C -0.891 176.491 177.300 0.137 0.000 1.205 675 P CA 0.517 63.684 63.100 0.113 0.000 0.771 675 P CB 0.749 32.520 31.700 0.118 0.000 0.858 676 M N 2.161 121.862 119.600 0.168 0.000 2.631 676 M HA 0.517 5.004 4.480 0.013 0.000 0.288 676 M C -0.110 176.374 176.300 0.305 0.000 1.260 676 M CA -0.738 54.702 55.300 0.234 0.000 0.842 676 M CB 3.207 35.962 32.600 0.259 0.000 1.743 676 M HN 0.274 nan 8.290 nan 0.000 0.461 677 K N 0.629 121.178 120.400 0.248 0.000 2.536 677 K HA 0.774 5.102 4.320 0.013 0.000 0.269 677 K C -1.760 174.736 176.600 -0.174 0.000 0.965 677 K CA -1.139 55.127 56.287 -0.034 0.000 0.860 677 K CB 3.243 35.476 32.500 -0.446 0.000 1.423 677 K HN 0.628 nan 8.250 nan 0.000 0.438 678 K N 1.989 122.089 120.400 -0.501 0.000 2.525 678 K HA 0.356 4.684 4.320 0.013 0.000 0.254 678 K C -1.740 174.440 176.600 -0.700 0.000 0.934 678 K CA -0.728 55.062 56.287 -0.827 0.000 0.802 678 K CB 2.437 33.783 32.500 -1.923 0.000 1.295 678 K HN 0.802 nan 8.250 nan 0.000 0.433 679 M N 4.817 123.869 119.600 -0.914 0.000 2.227 679 M HA 0.429 4.917 4.480 0.013 0.000 0.335 679 M C -1.761 173.972 176.300 -0.945 0.000 1.053 679 M CA -0.653 53.959 55.300 -1.147 0.000 0.973 679 M CB 0.720 32.263 32.600 -1.762 0.000 1.623 679 M HN 0.509 nan 8.290 nan 0.000 0.434 680 F N 3.894 123.548 119.950 -0.493 0.000 2.415 680 F HA 0.439 4.975 4.527 0.014 0.000 0.348 680 F C 1.332 176.965 175.800 -0.278 0.000 1.119 680 F CA -0.521 57.293 58.000 -0.310 0.000 1.069 680 F CB 0.997 39.872 39.000 -0.208 0.000 1.124 680 F HN 0.694 nan 8.300 nan 0.000 0.472 681 R N 2.254 122.706 120.500 -0.081 0.000 2.162 681 R HA -0.195 4.152 4.340 0.013 0.000 0.245 681 R C -0.249 176.025 176.300 -0.043 0.000 1.129 681 R CA 2.470 58.521 56.100 -0.083 0.000 0.940 681 R CB 0.016 30.285 30.300 -0.052 0.000 0.875 681 R HN 0.903 nan 8.270 nan 0.000 0.437 682 E N -1.559 118.642 120.200 0.001 0.000 2.409 682 E HA 0.337 4.694 4.350 0.013 0.000 0.280 682 E C -1.276 175.322 176.600 -0.005 0.000 1.079 682 E CA -0.783 55.615 56.400 -0.003 0.000 0.840 682 E CB 0.932 30.625 29.700 -0.012 0.000 1.309 682 E HN 0.124 nan 8.360 nan 0.000 0.447 683 I N 1.479 122.034 120.570 -0.024 0.000 2.410 683 I HA 0.400 4.578 4.170 0.013 0.000 0.286 683 I C -0.448 175.637 176.117 -0.054 0.000 1.009 683 I CA -1.064 60.200 61.300 -0.059 0.000 1.111 683 I CB 1.553 39.499 38.000 -0.090 0.000 1.262 683 I HN 0.366 nan 8.210 nan 0.000 0.443 684 R N 6.105 126.571 120.500 -0.056 0.000 2.734 684 R HA 0.204 4.552 4.340 0.013 0.000 0.266 684 R C -2.443 173.818 176.300 -0.064 0.000 1.044 684 R CA -1.195 54.875 56.100 -0.049 0.000 1.128 684 R CB -0.403 29.870 30.300 -0.044 0.000 1.010 684 R HN 0.241 nan 8.270 nan 0.000 0.461 685 P HA -0.074 nan 4.420 nan 0.000 0.264 685 P C -0.557 176.699 177.300 -0.074 0.000 1.183 685 P CA 0.562 63.627 63.100 -0.058 0.000 0.763 685 P CB 0.247 31.923 31.700 -0.041 0.000 0.807 686 N N -1.463 117.180 118.700 -0.095 0.000 2.690 686 N HA -0.201 4.547 4.740 0.013 0.000 0.249 686 N C -0.148 175.293 175.510 -0.116 0.000 1.125 686 N CA 0.771 53.757 53.050 -0.106 0.000 0.794 686 N CB -1.105 37.338 38.487 -0.074 0.000 1.152 686 N HN 0.535 nan 8.380 nan 0.000 0.571 687 S N -1.133 114.491 115.700 -0.126 0.000 2.707 687 S HA 0.637 5.114 4.470 0.013 0.000 0.276 687 S C 0.181 174.680 174.600 -0.169 0.000 1.179 687 S CA -0.469 57.659 58.200 -0.121 0.000 0.992 687 S CB 2.179 65.321 63.200 -0.097 0.000 1.030 687 S HN 0.066 nan 8.310 nan 0.000 0.554 688 T N 1.434 115.901 114.554 -0.144 0.000 2.890 688 T HA 0.535 4.893 4.350 0.013 0.000 0.295 688 T C -0.154 174.461 174.700 -0.140 0.000 0.993 688 T CA -0.714 61.290 62.100 -0.161 0.000 0.979 688 T CB 0.971 69.769 68.868 -0.117 0.000 0.967 688 T HN 0.850 nan 8.240 nan 0.000 0.441 689 V N 1.998 121.791 119.914 -0.202 0.000 2.716 689 V HA 0.728 4.855 4.120 0.013 0.000 0.304 689 V C -0.405 175.623 176.094 -0.111 0.000 1.053 689 V CA -0.767 61.388 62.300 -0.241 0.000 0.984 689 V CB 1.630 33.048 31.823 -0.675 0.000 1.021 689 V HN 0.860 nan 8.190 nan 0.000 0.467 690 Q N 2.037 121.846 119.800 0.016 0.000 2.347 690 Q HA 0.469 4.817 4.340 0.013 0.000 0.271 690 Q C -2.074 174.133 176.000 0.345 0.000 1.064 690 Q CA -0.536 55.354 55.803 0.146 0.000 0.800 690 Q CB 2.589 31.390 28.738 0.105 0.000 1.304 690 Q HN 0.907 nan 8.270 nan 0.000 0.438 691 W N 3.597 124.992 121.300 0.159 0.000 2.600 691 W HA 0.451 5.115 4.660 0.006 0.000 0.325 691 W C -1.289 175.293 176.519 0.104 0.000 1.034 691 W CA -0.715 56.746 57.345 0.194 0.000 1.226 691 W CB 1.308 30.924 29.460 0.260 0.000 1.379 691 W HN 0.544 nan 8.180 nan 0.000 0.466 692 E N 3.855 124.199 120.200 0.241 0.000 2.210 692 E HA 0.320 4.677 4.350 0.013 0.000 0.266 692 E C -1.284 175.256 176.600 -0.100 0.000 0.883 692 E CA -0.775 55.622 56.400 -0.006 0.000 0.761 692 E CB 2.775 32.509 29.700 0.057 0.000 1.156 692 E HN 0.324 nan 8.360 nan 0.000 0.412 693 E N 1.297 121.359 120.200 -0.229 0.000 2.383 693 E HA 0.358 4.716 4.350 0.013 0.000 0.275 693 E C -1.735 174.791 176.600 -0.123 0.000 0.918 693 E CA -0.701 55.586 56.400 -0.188 0.000 0.764 693 E CB 2.035 31.509 29.700 -0.377 0.000 1.252 693 E HN 0.150 nan 8.360 nan 0.000 0.449 694 V N 3.000 122.879 119.914 -0.059 0.000 2.370 694 V HA 0.381 4.508 4.120 0.013 0.000 0.283 694 V C -0.385 175.696 176.094 -0.022 0.000 1.023 694 V CA -0.660 61.618 62.300 -0.036 0.000 0.857 694 V CB 0.874 32.692 31.823 -0.008 0.000 0.985 694 V HN 0.793 nan 8.190 nan 0.000 0.443 695 C N 5.010 124.291 119.300 -0.033 0.000 2.365 695 C HA 0.635 5.103 4.460 0.013 0.000 0.349 695 C C 0.548 175.548 174.990 0.017 0.000 1.191 695 C CA -0.994 58.019 59.018 -0.008 0.000 2.114 695 C CB 0.992 28.695 27.740 -0.063 0.000 2.367 695 C HN 0.813 nan 8.230 nan 0.000 0.530 696 R N 1.931 122.480 120.500 0.081 0.000 2.494 696 R HA 0.261 4.609 4.340 0.013 0.000 0.284 696 R C -2.707 173.677 176.300 0.141 0.000 1.525 696 R CA -1.118 55.045 56.100 0.106 0.000 1.460 696 R CB 0.997 31.384 30.300 0.145 0.000 1.134 696 R HN 0.602 nan 8.270 nan 0.000 0.592 697 P HA -0.103 nan 4.420 nan 0.000 0.262 697 P C -0.235 177.029 177.300 -0.059 0.000 1.199 697 P CA 0.079 63.043 63.100 -0.226 0.000 0.763 697 P CB 0.331 31.897 31.700 -0.223 0.000 0.790 698 W N 3.081 124.382 121.300 0.001 0.000 3.316 698 W HA 0.486 5.159 4.660 0.021 0.000 0.327 698 W C -0.976 175.550 176.519 0.012 0.000 1.232 698 W CA -0.593 56.759 57.345 0.011 0.000 1.805 698 W CB -0.298 29.174 29.460 0.019 0.000 1.090 698 W HN -0.106 nan 8.180 nan 0.000 0.654 699 V N 1.545 121.315 119.914 -0.240 0.000 2.841 699 V HA 0.484 4.612 4.120 0.013 0.000 0.310 699 V C 0.042 176.055 176.094 -0.135 0.000 1.090 699 V CA -0.824 61.389 62.300 -0.144 0.000 0.930 699 V CB 1.897 33.596 31.823 -0.207 0.000 1.014 699 V HN 0.067 nan 8.190 nan 0.000 0.425 700 S N 1.563 117.225 115.700 -0.063 0.000 2.745 700 S HA 0.947 5.425 4.470 0.013 0.000 0.292 700 S C 0.336 174.905 174.600 -0.051 0.000 1.127 700 S CA 0.032 58.200 58.200 -0.052 0.000 1.007 700 S CB 1.521 64.711 63.200 -0.017 0.000 1.165 700 S HN 1.909 nan 8.310 nan 0.000 0.544 701 G N 0.410 109.193 108.800 -0.029 0.000 2.757 701 G HA2 -0.145 3.823 3.960 0.013 0.000 0.638 701 G HA3 -0.145 3.823 3.960 0.013 0.000 0.638 701 G C -0.496 174.397 174.900 -0.012 0.000 1.344 701 G CA -0.481 44.618 45.100 -0.002 0.000 0.855 701 G HN 1.055 nan 8.290 nan 0.000 0.537 702 H N 1.858 120.912 119.070 -0.027 0.000 3.046 702 H HA 0.373 4.939 4.556 0.017 0.000 0.303 702 H C 0.513 175.817 175.328 -0.041 0.000 1.002 702 H CA 0.410 56.439 56.048 -0.032 0.000 1.460 702 H CB 0.237 29.986 29.762 -0.022 0.000 1.493 702 H HN 0.532 nan 8.280 nan 0.000 0.559 703 R N 3.582 123.651 120.500 -0.717 0.000 3.151 703 R HA 0.476 4.824 4.340 0.013 0.000 0.231 703 R C -0.736 175.190 176.300 -0.623 0.000 1.511 703 R CA -1.029 54.715 56.100 -0.593 0.000 1.047 703 R CB 1.361 31.462 30.300 -0.331 0.000 1.565 703 R HN 0.710 nan 8.270 nan 0.000 0.513 704 K N 0.416 120.610 120.400 -0.344 0.000 2.557 704 K HA 0.402 4.730 4.320 0.013 0.000 0.261 704 K C -1.621 174.878 176.600 -0.169 0.000 0.932 704 K CA -0.492 55.664 56.287 -0.219 0.000 0.829 704 K CB 1.639 34.045 32.500 -0.156 0.000 1.358 704 K HN 0.347 nan 8.250 nan 0.000 0.430 705 L N 4.662 125.808 121.223 -0.129 0.000 2.325 705 L HA 0.616 4.964 4.340 0.013 0.000 0.278 705 L C -0.591 176.226 176.870 -0.088 0.000 1.023 705 L CA -0.780 53.991 54.840 -0.114 0.000 0.811 705 L CB 1.525 43.520 42.059 -0.106 0.000 1.249 705 L HN 0.531 nan 8.230 nan 0.000 0.431 706 I N 2.037 122.557 120.570 -0.083 0.000 2.647 706 I HA 0.778 4.956 4.170 0.013 0.000 0.295 706 I C -0.567 175.537 176.117 -0.022 0.000 1.078 706 I CA -0.459 60.801 61.300 -0.067 0.000 1.048 706 I CB 2.235 40.164 38.000 -0.118 0.000 1.239 706 I HN 0.655 nan 8.210 nan 0.000 0.421 707 A N 3.510 126.342 122.820 0.021 0.000 2.556 707 A HA 0.950 5.278 4.320 0.013 0.000 0.294 707 A C -0.855 176.798 177.584 0.115 0.000 1.091 707 A CA -0.443 51.642 52.037 0.080 0.000 0.704 707 A CB 2.072 21.119 19.000 0.079 0.000 1.300 707 A HN 0.742 nan 8.150 nan 0.000 0.406 708 S N 0.776 116.548 115.700 0.120 0.000 2.625 708 S HA 0.827 5.304 4.470 0.013 0.000 0.271 708 S C -0.983 173.597 174.600 -0.033 0.000 1.161 708 S CA -0.593 57.619 58.200 0.022 0.000 0.820 708 S CB 1.891 65.156 63.200 0.109 0.000 1.137 708 S HN 1.516 nan 8.310 nan 0.000 0.470 709 M N 2.552 122.017 119.600 -0.226 0.000 2.324 709 M HA 0.587 5.074 4.480 0.013 0.000 0.288 709 M C -1.680 174.541 176.300 -0.132 0.000 1.097 709 M CA -0.148 55.058 55.300 -0.157 0.000 0.928 709 M CB 1.854 34.183 32.600 -0.452 0.000 1.648 709 M HN 1.021 nan 8.290 nan 0.000 0.460 710 S N 3.831 119.567 115.700 0.060 0.000 2.789 710 S HA 0.725 5.203 4.470 0.013 0.000 0.286 710 S C -0.959 173.766 174.600 0.208 0.000 1.153 710 S CA -0.289 57.959 58.200 0.080 0.000 1.084 710 S CB 0.722 63.938 63.200 0.026 0.000 1.036 710 S HN 0.791 nan 8.310 nan 0.000 0.484 711 S N 3.303 119.087 115.700 0.139 0.000 2.664 711 S HA 0.489 4.967 4.470 0.013 0.000 0.304 711 S C 0.299 174.980 174.600 0.135 0.000 1.099 711 S CA -0.709 57.577 58.200 0.144 0.000 1.003 711 S CB 1.048 64.308 63.200 0.101 0.000 1.092 711 S HN 0.511 nan 8.310 nan 0.000 0.525 712 D N 1.055 121.527 120.400 0.119 0.000 2.322 712 D HA -0.092 4.555 4.640 0.013 0.000 0.210 712 D C 1.744 178.091 176.300 0.078 0.000 0.983 712 D CA 1.978 56.038 54.000 0.101 0.000 0.902 712 D CB -0.102 40.742 40.800 0.074 0.000 0.905 712 D HN 0.621 nan 8.370 nan 0.000 0.483 713 S N -1.286 114.458 115.700 0.073 0.000 3.200 713 S HA 0.126 4.604 4.470 0.013 0.000 0.209 713 S C 0.463 175.103 174.600 0.067 0.000 0.869 713 S CA -0.554 57.681 58.200 0.059 0.000 0.820 713 S CB 0.158 63.386 63.200 0.047 0.000 0.834 713 S HN 0.080 nan 8.310 nan 0.000 0.622 714 L N 4.001 125.267 121.223 0.073 0.000 2.371 714 L HA 0.623 4.970 4.340 0.013 0.000 0.272 714 L C -0.148 176.753 176.870 0.053 0.000 1.124 714 L CA -0.035 54.848 54.840 0.072 0.000 0.816 714 L CB 0.576 42.696 42.059 0.101 0.000 1.129 714 L HN 0.728 nan 8.230 nan 0.000 0.448 715 R N 1.914 122.432 120.500 0.030 0.000 2.741 715 R HA 0.384 4.732 4.340 0.013 0.000 0.276 715 R C -0.842 175.451 176.300 -0.011 0.000 1.028 715 R CA -0.898 55.192 56.100 -0.018 0.000 0.865 715 R CB 0.384 30.711 30.300 0.046 0.000 1.268 715 R HN 0.631 nan 8.270 nan 0.000 0.475 716 H N -1.504 117.373 119.070 -0.322 0.000 3.031 716 H HA -0.063 4.502 4.556 0.015 0.000 0.293 716 H C -1.760 173.152 175.328 -0.694 0.000 1.305 716 H CA 0.649 56.409 56.048 -0.479 0.000 1.162 716 H CB -0.574 29.098 29.762 -0.150 0.000 1.341 716 H HN 0.397 nan 8.280 nan 0.000 0.413 717 V N 2.168 121.571 119.914 -0.851 0.000 2.378 717 V HA 0.460 4.587 4.120 0.013 0.000 0.288 717 V C -0.241 175.323 176.094 -0.883 0.000 1.016 717 V CA -0.484 61.419 62.300 -0.662 0.000 0.840 717 V CB 0.909 32.389 31.823 -0.570 0.000 0.994 717 V HN 0.263 nan 8.190 nan 0.000 0.431 718 Y N 2.091 122.301 120.300 -0.150 0.000 2.536 718 Y HA 0.877 5.434 4.550 0.010 0.000 0.347 718 Y C 0.605 176.454 175.900 -0.084 0.000 1.000 718 Y CA -0.902 57.114 58.100 -0.140 0.000 1.051 718 Y CB 2.567 40.928 38.460 -0.165 0.000 1.259 718 Y HN 0.728 nan 8.280 nan 0.000 0.468 719 G N 0.802 109.657 108.800 0.092 0.000 2.659 719 G HA2 0.659 4.627 3.960 0.013 0.000 0.296 719 G HA3 0.659 4.627 3.960 0.013 0.000 0.296 719 G C -1.764 173.154 174.900 0.030 0.000 1.369 719 G CA -0.911 44.219 45.100 0.051 0.000 0.937 719 G HN 0.662 nan 8.290 nan 0.000 0.485 720 E N 0.202 120.408 120.200 0.010 0.000 2.412 720 E HA 0.635 4.992 4.350 0.013 0.000 0.279 720 E C -2.044 174.549 176.600 -0.012 0.000 0.984 720 E CA -1.023 55.368 56.400 -0.015 0.000 0.788 720 E CB 2.394 32.075 29.700 -0.032 0.000 1.277 720 E HN 0.437 nan 8.360 nan 0.000 0.455 721 L N 1.763 122.971 121.223 -0.025 0.000 2.436 721 L HA 0.338 4.686 4.340 0.013 0.000 0.268 721 L C -1.236 175.625 176.870 -0.014 0.000 0.974 721 L CA -0.781 54.048 54.840 -0.018 0.000 0.826 721 L CB 2.040 44.081 42.059 -0.030 0.000 1.291 721 L HN 0.688 nan 8.230 nan 0.000 0.406 722 D N 3.185 123.603 120.400 0.030 0.000 2.934 722 D HA 0.139 4.787 4.640 0.013 0.000 0.237 722 D C 0.611 176.959 176.300 0.078 0.000 1.158 722 D CA 0.078 54.146 54.000 0.113 0.000 0.971 722 D CB 0.007 40.903 40.800 0.159 0.000 1.123 722 D HN 0.304 nan 8.370 nan 0.000 0.467 723 V N -0.658 119.236 119.914 -0.033 0.000 3.611 723 V HA 0.272 4.399 4.120 0.013 0.000 0.296 723 V C 0.172 176.240 176.094 -0.044 0.000 1.091 723 V CA -0.546 61.727 62.300 -0.044 0.000 1.103 723 V CB 0.757 32.528 31.823 -0.087 0.000 1.157 723 V HN 0.196 nan 8.190 nan 0.000 0.471 724 Q N 0.613 120.391 119.800 -0.036 0.000 2.483 724 Q HA 0.477 4.825 4.340 0.013 0.000 0.245 724 Q C -1.352 174.622 176.000 -0.044 0.000 0.902 724 Q CA -0.538 55.252 55.803 -0.021 0.000 0.767 724 Q CB 1.100 29.860 28.738 0.038 0.000 1.341 724 Q HN 0.768 nan 8.270 nan 0.000 0.453 725 I N 2.384 122.909 120.570 -0.075 0.000 2.720 725 I HA 0.243 4.421 4.170 0.013 0.000 0.287 725 I C 0.496 176.589 176.117 -0.040 0.000 1.090 725 I CA -0.018 61.240 61.300 -0.069 0.000 1.384 725 I CB 0.946 38.884 38.000 -0.104 0.000 1.420 725 I HN 0.701 nan 8.210 nan 0.000 0.575 726 Q N 3.338 123.120 119.800 -0.030 0.000 2.351 726 Q HA 0.750 5.098 4.340 0.013 0.000 0.273 726 Q C -0.492 175.501 176.000 -0.010 0.000 1.077 726 Q CA -0.810 54.984 55.803 -0.016 0.000 0.843 726 Q CB 2.721 31.453 28.738 -0.011 0.000 1.367 726 Q HN 0.550 nan 8.270 nan 0.000 0.449 727 R N 0.000 120.498 120.500 -0.004 0.000 2.786 727 R HA 0.000 4.348 4.340 0.013 0.000 0.208 727 R CA 0.000 56.101 56.100 0.002 0.000 0.921 727 R CB 0.000 30.304 30.300 0.007 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535