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 2ijd_1_1 DATA FIRST_RESID 1 DATA SEQUENCE GPGFDYAVAM AKRNIVTATT SKGEFTMLGV HDNVAILPTH ASPGESIVID DATA SEQUENCE GKEVAILAAK ALADQAGTNL EITIITLKRN EKFRDIRPHI PTQITETNDG DATA SEQUENCE VLIVNTSKYP NMYVPVGAVT EQGYLNLGGR QTARTLMYNF PTRAGQAGGV DATA SEQUENCE ITCTGKVIGM HVGGNGSHGF AAALKRSYFT QSQGEIQWMR PSKEVGYPII DATA SEQUENCE NAPSKTKLEP SAFHYVFEGV KEPAVLTKND PRLKTDFEEA IFSKYVGNKI DATA SEQUENCE TEVDEYMKEA VDHYAGQLMS LDINTEQMCL EDAMYGTDGL EALDLSTSAG DATA SEQUENCE YPYVAMGKKK RDILNKQTRD TKEMQKLLDT YGINLPLVTY VKDELRSKTK DATA SEQUENCE VEQGKSRLIE ASSLNDSVAM RMAFGNLYAA FHKNPGVITG SAVGCDPDLF DATA SEQUENCE WSKIPVLMEE KLFAFDYTGY DASLSPAWFE ALKMVLEKIG FGDRVDYIDY DATA SEQUENCE LNHSHHLYKN KTYCVKGGMP SGCSGTSIFN SMINNLIIRT LLLKTYKGID DATA SEQUENCE LDHLKMIAYG DDVIASYPHE VDASLLAQSG KDYGLTMTPA DKSATFETVT DATA SEQUENCE WENVTFLKRF FRADEKYPFL IHPVMPMKEI HESIRWTKDP RNTQDHVRSL DATA SEQUENCE CLLAWHNGEE EYNKFLAKIR SVPIGRALDL PEYSTLYDRW LDSF 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.943 174.900 0.072 0.000 0.946 1 G CA 0.000 45.116 45.100 0.027 0.000 0.502 2 P HA 0.078 nan 4.420 nan 0.000 0.236 2 P C 1.621 178.980 177.300 0.098 0.000 1.177 2 P CA 1.022 64.165 63.100 0.072 0.000 0.773 2 P CB 0.496 32.219 31.700 0.038 0.000 0.878 3 G N -0.212 108.641 108.800 0.090 0.000 2.394 3 G HA2 -0.241 3.720 3.960 0.001 0.000 0.215 3 G HA3 -0.241 3.720 3.960 0.001 0.000 0.215 3 G C 1.313 176.302 174.900 0.148 0.000 1.165 3 G CA 0.107 45.261 45.100 0.090 0.000 0.784 3 G HN 0.179 nan 8.290 nan 0.000 0.535 4 F N 1.986 121.940 119.950 0.007 0.000 2.060 4 F HA -0.045 4.483 4.527 0.001 0.000 0.295 4 F C 2.363 178.122 175.800 -0.067 0.000 1.120 4 F CA 1.861 59.838 58.000 -0.039 0.000 1.205 4 F CB -0.056 38.899 39.000 -0.075 0.000 0.986 4 F HN 0.058 nan 8.300 nan 0.000 0.470 5 D N -0.734 119.770 120.400 0.174 0.000 2.190 5 D HA -0.269 4.372 4.640 0.001 0.000 0.200 5 D C 1.909 178.201 176.300 -0.014 0.000 0.992 5 D CA 1.583 55.617 54.000 0.057 0.000 0.854 5 D CB -0.733 40.121 40.800 0.091 0.000 0.936 5 D HN 0.442 nan 8.370 nan 0.000 0.462 6 Y N 1.674 121.925 120.300 -0.081 0.000 2.089 6 Y HA -0.176 4.375 4.550 0.001 0.000 0.282 6 Y C 2.387 178.208 175.900 -0.132 0.000 1.139 6 Y CA 1.866 59.915 58.100 -0.084 0.000 1.123 6 Y CB -0.607 37.824 38.460 -0.049 0.000 0.980 6 Y HN -0.044 nan 8.280 nan 0.000 0.493 7 A N -0.335 122.431 122.820 -0.091 0.000 1.927 7 A HA -0.253 4.068 4.320 0.001 0.000 0.220 7 A C 2.333 179.781 177.584 -0.226 0.000 1.185 7 A CA 2.535 54.462 52.037 -0.182 0.000 0.639 7 A CB -1.482 17.432 19.000 -0.143 0.000 0.820 7 A HN 0.404 nan 8.150 nan 0.000 0.451 8 V N -0.580 119.089 119.914 -0.408 0.000 2.323 8 V HA -0.183 3.938 4.120 0.001 0.000 0.244 8 V C 3.053 179.022 176.094 -0.208 0.000 1.041 8 V CA 1.854 63.933 62.300 -0.369 0.000 1.025 8 V CB -1.232 30.285 31.823 -0.511 0.000 0.656 8 V HN 0.641 nan 8.190 nan 0.000 0.451 9 A N -0.347 122.328 122.820 -0.242 0.000 1.940 9 A HA -0.225 4.096 4.320 0.001 0.000 0.219 9 A C 2.232 179.647 177.584 -0.281 0.000 1.176 9 A CA 2.044 53.951 52.037 -0.218 0.000 0.631 9 A CB -0.446 18.439 19.000 -0.192 0.000 0.814 9 A HN 0.412 nan 8.150 nan 0.000 0.446 10 M N -0.471 118.860 119.600 -0.448 0.000 2.099 10 M HA -0.075 4.406 4.480 0.001 0.000 0.262 10 M C 2.564 178.718 176.300 -0.243 0.000 1.067 10 M CA 1.600 56.634 55.300 -0.442 0.000 1.124 10 M CB -1.665 30.571 32.600 -0.607 0.000 1.353 10 M HN 0.471 nan 8.290 nan 0.000 0.410 11 A N 0.521 123.237 122.820 -0.174 0.000 1.883 11 A HA -0.233 4.088 4.320 0.001 0.000 0.217 11 A C 2.288 179.841 177.584 -0.051 0.000 1.186 11 A CA 2.234 54.222 52.037 -0.081 0.000 0.624 11 A CB -0.847 18.163 19.000 0.015 0.000 0.822 11 A HN 0.549 nan 8.150 nan 0.000 0.444 12 K N -0.874 119.495 120.400 -0.052 0.000 2.189 12 K HA -0.213 4.108 4.320 0.001 0.000 0.207 12 K C 1.898 178.484 176.600 -0.025 0.000 1.046 12 K CA 2.079 58.347 56.287 -0.032 0.000 0.928 12 K CB -0.115 32.357 32.500 -0.045 0.000 0.720 12 K HN 0.434 nan 8.250 nan 0.000 0.458 13 R N -1.166 119.310 120.500 -0.040 0.000 2.541 13 R HA 0.172 4.513 4.340 0.001 0.000 0.332 13 R C -0.031 176.291 176.300 0.038 0.000 0.951 13 R CA 0.084 56.184 56.100 -0.001 0.000 1.136 13 R CB 0.544 30.836 30.300 -0.013 0.000 1.449 13 R HN 0.152 nan 8.270 nan 0.000 0.531 14 N N -0.677 118.012 118.700 -0.019 0.000 2.160 14 N HA 0.306 5.046 4.740 0.001 0.000 0.226 14 N C -1.101 174.352 175.510 -0.095 0.000 1.256 14 N CA -0.088 52.934 53.050 -0.047 0.000 0.890 14 N CB 1.528 39.937 38.487 -0.132 0.000 1.116 14 N HN -0.008 nan 8.380 nan 0.000 0.517 15 I N 1.590 122.132 120.570 -0.046 0.000 2.466 15 I HA 0.435 4.606 4.170 0.001 0.000 0.289 15 I C -0.731 175.389 176.117 0.005 0.000 1.026 15 I CA -1.116 60.154 61.300 -0.051 0.000 1.078 15 I CB 1.703 39.658 38.000 -0.076 0.000 1.249 15 I HN -0.251 nan 8.210 nan 0.000 0.429 16 V N 1.403 121.332 119.914 0.024 0.000 3.102 16 V HA 0.633 4.754 4.120 0.001 0.000 0.312 16 V C -0.277 175.847 176.094 0.050 0.000 1.135 16 V CA -0.612 61.723 62.300 0.059 0.000 1.022 16 V CB 1.822 33.721 31.823 0.126 0.000 1.056 16 V HN 0.622 nan 8.190 nan 0.000 0.436 17 T N 2.481 117.066 114.554 0.053 0.000 2.743 17 T HA 0.763 5.114 4.350 0.001 0.000 0.293 17 T C 0.041 174.787 174.700 0.076 0.000 0.945 17 T CA 0.303 62.437 62.100 0.057 0.000 1.030 17 T CB 1.015 69.905 68.868 0.037 0.000 0.912 17 T HN 1.368 nan 8.240 nan 0.000 0.483 18 A N 3.120 126.003 122.820 0.106 0.000 2.342 18 A HA 0.741 5.062 4.320 0.001 0.000 0.323 18 A C 0.066 177.741 177.584 0.151 0.000 1.125 18 A CA -0.772 51.336 52.037 0.119 0.000 0.785 18 A CB 1.043 20.115 19.000 0.119 0.000 1.221 18 A HN 0.672 nan 8.150 nan 0.000 0.463 19 T N 2.261 116.887 114.554 0.120 0.000 2.786 19 T HA 0.600 4.951 4.350 0.001 0.000 0.283 19 T C 0.501 175.278 174.700 0.128 0.000 0.992 19 T CA -0.051 62.124 62.100 0.125 0.000 0.954 19 T CB 1.134 70.046 68.868 0.073 0.000 0.934 19 T HN 0.971 nan 8.240 nan 0.000 0.440 20 T N -0.979 113.682 114.554 0.178 0.000 2.876 20 T HA 0.405 4.756 4.350 0.001 0.000 0.277 20 T C 1.711 176.484 174.700 0.122 0.000 0.997 20 T CA -0.186 61.994 62.100 0.135 0.000 0.966 20 T CB 0.769 69.713 68.868 0.127 0.000 1.312 20 T HN 0.378 nan 8.240 nan 0.000 0.598 21 S N -0.910 114.848 115.700 0.097 0.000 2.555 21 S HA 0.076 4.547 4.470 0.001 0.000 0.230 21 S C 0.799 175.464 174.600 0.109 0.000 0.978 21 S CA 0.116 58.366 58.200 0.083 0.000 0.934 21 S CB -0.615 62.622 63.200 0.061 0.000 0.766 21 S HN 0.689 nan 8.310 nan 0.000 0.533 22 K N 1.873 122.375 120.400 0.170 0.000 3.135 22 K HA 0.469 4.790 4.320 0.001 0.000 0.210 22 K C 0.627 177.403 176.600 0.293 0.000 1.176 22 K CA 0.023 56.447 56.287 0.227 0.000 1.064 22 K CB 0.435 33.091 32.500 0.260 0.000 1.009 22 K HN 0.439 nan 8.250 nan 0.000 0.472 23 G N 1.397 110.288 108.800 0.151 0.000 2.782 23 G HA2 -0.253 3.708 3.960 0.001 0.000 0.228 23 G HA3 -0.253 3.708 3.960 0.001 0.000 0.228 23 G C -0.864 174.025 174.900 -0.019 0.000 1.372 23 G CA -0.802 44.307 45.100 0.015 0.000 0.862 23 G HN 0.392 nan 8.290 nan 0.000 0.547 24 E N -0.659 119.429 120.200 -0.185 0.000 2.331 24 E HA 0.582 4.933 4.350 0.001 0.000 0.272 24 E C -0.659 175.683 176.600 -0.430 0.000 1.036 24 E CA 0.089 56.400 56.400 -0.150 0.000 0.864 24 E CB 0.778 30.418 29.700 -0.099 0.000 1.035 24 E HN 0.327 nan 8.360 nan 0.000 0.408 25 F N -0.057 119.922 119.950 0.049 0.000 2.599 25 F HA 0.238 4.766 4.527 0.001 0.000 0.311 25 F C 0.271 176.087 175.800 0.026 0.000 1.076 25 F CA -0.903 57.125 58.000 0.046 0.000 0.937 25 F CB 1.999 41.019 39.000 0.034 0.000 1.282 25 F HN 0.166 nan 8.300 nan 0.000 0.460 26 T N 3.335 118.015 114.554 0.210 0.000 2.884 26 T HA 0.435 4.786 4.350 0.001 0.000 0.298 26 T C -0.470 174.285 174.700 0.092 0.000 0.998 26 T CA -0.148 62.010 62.100 0.097 0.000 1.124 26 T CB 0.548 69.441 68.868 0.041 0.000 0.931 26 T HN 0.538 nan 8.240 nan 0.000 0.531 27 M N 4.043 123.667 119.600 0.039 0.000 2.263 27 M HA 0.502 4.982 4.480 0.001 0.000 0.295 27 M C -1.688 174.564 176.300 -0.079 0.000 1.028 27 M CA -1.135 54.164 55.300 -0.000 0.000 0.921 27 M CB 1.464 34.076 32.600 0.020 0.000 1.601 27 M HN 0.461 nan 8.290 nan 0.000 0.440 28 L N 5.072 126.225 121.223 -0.116 0.000 2.278 28 L HA 0.629 4.970 4.340 0.001 0.000 0.287 28 L C 0.027 176.648 176.870 -0.414 0.000 1.072 28 L CA 0.328 55.044 54.840 -0.206 0.000 0.819 28 L CB 1.093 43.070 42.059 -0.137 0.000 1.176 28 L HN 0.765 nan 8.230 nan 0.000 0.435 29 G N 4.421 112.789 108.800 -0.721 0.000 2.351 29 G HA2 0.427 4.388 3.960 0.001 0.000 0.287 29 G HA3 0.427 4.388 3.960 0.001 0.000 0.287 29 G C 0.546 174.914 174.900 -0.888 0.000 1.159 29 G CA -0.408 43.665 45.100 -1.712 0.000 0.929 29 G HN 0.610 nan 8.290 nan 0.000 0.435 30 V N 2.498 122.024 119.914 -0.646 0.000 2.575 30 V HA 0.190 4.311 4.120 0.001 0.000 0.242 30 V C 0.801 176.812 176.094 -0.139 0.000 1.045 30 V CA 1.870 63.921 62.300 -0.415 0.000 1.065 30 V CB -0.860 30.535 31.823 -0.714 0.000 0.717 30 V HN 1.027 nan 8.190 nan 0.000 0.467 31 H N -4.495 114.495 119.070 -0.133 0.000 3.005 31 H HA 0.368 4.925 4.556 0.001 0.000 0.311 31 H C -0.112 175.322 175.328 0.176 0.000 1.366 31 H CA -0.469 55.599 56.048 0.033 0.000 1.210 31 H CB 0.336 30.075 29.762 -0.038 0.000 1.894 31 H HN -0.047 nan 8.280 nan 0.000 0.520 32 D N 0.837 121.318 120.400 0.135 0.000 4.266 32 D HA -0.351 4.290 4.640 0.001 0.000 0.296 32 D C 0.219 176.532 176.300 0.021 0.000 0.601 32 D CA 2.584 56.611 54.000 0.046 0.000 0.963 32 D CB -0.979 39.846 40.800 0.041 0.000 0.415 32 D HN 0.856 nan 8.370 nan 0.000 0.337 33 N N -0.834 117.846 118.700 -0.033 0.000 2.177 33 N HA 0.310 5.051 4.740 0.001 0.000 0.218 33 N C -1.025 174.532 175.510 0.078 0.000 1.182 33 N CA -0.224 52.844 53.050 0.030 0.000 0.882 33 N CB 1.717 40.196 38.487 -0.013 0.000 1.052 33 N HN -0.019 nan 8.380 nan 0.000 0.519 34 V N 1.530 121.393 119.914 -0.084 0.000 2.407 34 V HA 0.752 4.873 4.120 0.001 0.000 0.278 34 V C -0.119 175.902 176.094 -0.122 0.000 1.037 34 V CA -0.494 61.737 62.300 -0.115 0.000 0.900 34 V CB 1.067 32.716 31.823 -0.291 0.000 0.983 34 V HN 0.160 nan 8.190 nan 0.000 0.459 35 A N 6.033 128.824 122.820 -0.048 0.000 2.556 35 A HA 0.954 5.275 4.320 0.001 0.000 0.294 35 A C -0.849 176.734 177.584 -0.003 0.000 1.091 35 A CA -0.680 51.259 52.037 -0.162 0.000 0.704 35 A CB 1.755 20.619 19.000 -0.228 0.000 1.300 35 A HN 0.910 nan 8.150 nan 0.000 0.406 36 I N -0.634 119.935 120.570 -0.000 0.000 2.797 36 I HA 0.923 5.093 4.170 0.001 0.000 0.307 36 I C -0.779 175.333 176.117 -0.009 0.000 1.033 36 I CA -1.096 60.236 61.300 0.054 0.000 1.071 36 I CB 1.891 39.982 38.000 0.153 0.000 1.255 36 I HN 0.865 nan 8.210 nan 0.000 0.445 37 L N 0.278 121.477 121.223 -0.040 0.000 2.671 37 L HA 0.740 5.080 4.340 0.001 0.000 0.259 37 L C -3.075 173.683 176.870 -0.187 0.000 1.021 37 L CA -2.121 52.653 54.840 -0.111 0.000 0.871 37 L CB 1.471 43.445 42.059 -0.142 0.000 1.472 37 L HN 0.265 nan 8.230 nan 0.000 0.410 38 P HA 0.159 nan 4.420 nan 0.000 0.268 38 P C 0.383 177.413 177.300 -0.449 0.000 1.205 38 P CA -0.004 62.851 63.100 -0.408 0.000 0.771 38 P CB 0.877 32.162 31.700 -0.691 0.000 0.858 39 T N 1.207 115.591 114.554 -0.282 0.000 2.720 39 T HA -0.214 4.136 4.350 0.001 0.000 0.268 39 T C 1.497 176.082 174.700 -0.192 0.000 1.037 39 T CA 1.687 63.676 62.100 -0.184 0.000 1.144 39 T CB -1.010 67.807 68.868 -0.085 0.000 0.864 39 T HN 0.637 nan 8.240 nan 0.000 0.444 40 H N 0.659 119.668 119.070 -0.101 0.000 2.543 40 H HA 0.272 4.829 4.556 0.001 0.000 0.286 40 H C 1.679 176.935 175.328 -0.120 0.000 1.037 40 H CA 0.814 56.819 56.048 -0.072 0.000 1.250 40 H CB -0.279 29.473 29.762 -0.017 0.000 1.373 40 H HN 0.367 nan 8.280 nan 0.000 0.580 41 A N 1.125 123.653 122.820 -0.487 0.000 2.310 41 A HA 0.109 4.430 4.320 0.001 0.000 0.230 41 A C 0.787 178.229 177.584 -0.238 0.000 1.294 41 A CA -0.087 51.612 52.037 -0.562 0.000 0.898 41 A CB -0.448 17.734 19.000 -1.364 0.000 0.917 41 A HN 0.339 nan 8.150 nan 0.000 0.491 42 S N 1.933 117.560 115.700 -0.122 0.000 4.268 42 S HA -0.074 4.397 4.470 0.001 0.000 0.291 42 S C -2.399 172.176 174.600 -0.040 0.000 0.440 42 S CA 0.290 58.457 58.200 -0.055 0.000 1.363 42 S CB -0.840 62.359 63.200 -0.002 0.000 1.853 42 S HN 0.528 nan 8.310 nan 0.000 0.331 43 P HA 0.350 nan 4.420 nan 0.000 0.276 43 P C 0.808 178.105 177.300 -0.005 0.000 1.230 43 P CA -0.214 62.870 63.100 -0.026 0.000 0.776 43 P CB 0.701 32.381 31.700 -0.034 0.000 0.888 44 G N 1.417 110.223 108.800 0.009 0.000 2.630 44 G HA2 0.077 4.038 3.960 0.001 0.000 0.223 44 G HA3 0.077 4.038 3.960 0.001 0.000 0.223 44 G C 0.678 175.586 174.900 0.013 0.000 1.434 44 G CA -0.288 44.820 45.100 0.013 0.000 1.057 44 G HN 0.507 nan 8.290 nan 0.000 0.570 45 E N -1.137 119.071 120.200 0.015 0.000 2.208 45 E HA 0.027 4.378 4.350 0.001 0.000 0.193 45 E C 1.264 177.874 176.600 0.017 0.000 0.988 45 E CA 0.946 57.355 56.400 0.014 0.000 0.828 45 E CB 0.073 29.781 29.700 0.013 0.000 0.763 45 E HN 0.399 nan 8.360 nan 0.000 0.478 46 S N -1.014 114.698 115.700 0.020 0.000 2.851 46 S HA 0.655 5.126 4.470 0.001 0.000 0.317 46 S C -0.549 174.068 174.600 0.029 0.000 1.144 46 S CA -0.970 57.244 58.200 0.023 0.000 0.862 46 S CB 2.139 65.352 63.200 0.021 0.000 1.259 46 S HN 0.167 nan 8.310 nan 0.000 0.564 47 I N 0.491 121.081 120.570 0.033 0.000 2.752 47 I HA 0.349 4.520 4.170 0.001 0.000 0.290 47 I C -1.872 174.272 176.117 0.044 0.000 1.507 47 I CA -0.855 60.471 61.300 0.043 0.000 1.038 47 I CB 1.912 39.941 38.000 0.048 0.000 1.390 47 I HN 0.649 nan 8.210 nan 0.000 0.435 48 V N 7.640 127.584 119.914 0.049 0.000 2.455 48 V HA 0.374 4.494 4.120 0.001 0.000 0.273 48 V C 0.091 176.215 176.094 0.050 0.000 1.045 48 V CA 0.108 62.434 62.300 0.043 0.000 0.976 48 V CB 0.882 32.729 31.823 0.040 0.000 0.993 48 V HN 0.342 nan 8.190 nan 0.000 0.475 49 I N 4.082 124.677 120.570 0.042 0.000 2.418 49 I HA 0.391 4.562 4.170 0.001 0.000 0.287 49 I C -0.114 176.024 176.117 0.035 0.000 1.008 49 I CA -0.678 60.651 61.300 0.048 0.000 1.104 49 I CB 1.708 39.741 38.000 0.056 0.000 1.264 49 I HN 0.540 nan 8.210 nan 0.000 0.438 50 D N 5.730 126.152 120.400 0.036 0.000 2.692 50 D HA -0.212 4.429 4.640 0.001 0.000 0.233 50 D C 1.040 177.350 176.300 0.016 0.000 1.172 50 D CA 1.763 55.778 54.000 0.025 0.000 0.636 50 D CB -0.685 40.129 40.800 0.024 0.000 1.028 50 D HN 1.150 nan 8.370 nan 0.000 0.419 51 G N -1.260 107.550 108.800 0.017 0.000 2.436 51 G HA2 -0.271 3.690 3.960 0.001 0.000 0.204 51 G HA3 -0.271 3.690 3.960 0.001 0.000 0.204 51 G C 0.367 175.274 174.900 0.012 0.000 1.026 51 G CA 0.365 45.473 45.100 0.012 0.000 0.658 51 G HN 0.620 nan 8.290 nan 0.000 0.499 52 K N 0.633 121.041 120.400 0.013 0.000 2.409 52 K HA 0.572 4.892 4.320 0.001 0.000 0.252 52 K C -0.719 175.891 176.600 0.016 0.000 1.036 52 K CA -0.684 55.610 56.287 0.012 0.000 0.871 52 K CB 1.860 34.364 32.500 0.006 0.000 1.374 52 K HN 0.150 nan 8.250 nan 0.000 0.459 53 E N 1.193 121.402 120.200 0.015 0.000 2.384 53 E HA 0.203 4.554 4.350 0.001 0.000 0.266 53 E C -1.416 175.192 176.600 0.014 0.000 1.012 53 E CA -0.324 56.086 56.400 0.017 0.000 0.901 53 E CB 0.879 30.588 29.700 0.015 0.000 0.967 53 E HN 0.222 nan 8.360 nan 0.000 0.435 54 V N 3.334 123.259 119.914 0.018 0.000 2.668 54 V HA 0.450 4.571 4.120 0.001 0.000 0.304 54 V C -0.219 175.886 176.094 0.019 0.000 1.071 54 V CA -0.752 61.557 62.300 0.015 0.000 0.894 54 V CB 1.512 33.345 31.823 0.017 0.000 1.008 54 V HN 0.874 nan 8.190 nan 0.000 0.425 55 A N 5.409 128.238 122.820 0.014 0.000 2.351 55 A HA 0.777 5.098 4.320 0.001 0.000 0.257 55 A C -0.274 177.321 177.584 0.018 0.000 1.087 55 A CA -0.293 51.753 52.037 0.015 0.000 0.798 55 A CB 0.300 19.307 19.000 0.012 0.000 1.033 55 A HN 0.781 nan 8.150 nan 0.000 0.488 56 I N 3.212 123.793 120.570 0.019 0.000 2.307 56 I HA 0.067 4.238 4.170 0.001 0.000 0.287 56 I C 1.093 177.220 176.117 0.017 0.000 1.054 56 I CA -0.343 60.969 61.300 0.020 0.000 1.218 56 I CB 1.313 39.324 38.000 0.019 0.000 1.398 56 I HN 0.817 nan 8.210 nan 0.000 0.475 57 L N 7.201 128.435 121.223 0.018 0.000 2.043 57 L HA -0.015 4.326 4.340 0.001 0.000 0.212 57 L C 0.740 177.620 176.870 0.016 0.000 1.075 57 L CA 1.628 56.478 54.840 0.016 0.000 0.752 57 L CB -0.118 41.952 42.059 0.017 0.000 0.891 57 L HN 0.737 nan 8.230 nan 0.000 0.432 58 A N -2.248 120.582 122.820 0.017 0.000 2.585 58 A HA 0.735 5.056 4.320 0.001 0.000 0.299 58 A C -1.137 176.455 177.584 0.014 0.000 1.047 58 A CA -0.289 51.756 52.037 0.014 0.000 0.723 58 A CB -0.073 18.935 19.000 0.015 0.000 1.275 58 A HN 0.525 nan 8.150 nan 0.000 0.408 59 A N 1.274 124.097 122.820 0.006 0.000 2.354 59 A HA 0.947 5.268 4.320 0.001 0.000 0.321 59 A C -0.324 177.254 177.584 -0.010 0.000 1.125 59 A CA -0.562 51.475 52.037 -0.000 0.000 0.799 59 A CB 1.469 20.464 19.000 -0.007 0.000 1.293 59 A HN 1.054 nan 8.150 nan 0.000 0.452 60 K N 0.745 121.134 120.400 -0.019 0.000 2.535 60 K HA 0.629 4.950 4.320 0.001 0.000 0.250 60 K C -0.642 175.925 176.600 -0.054 0.000 0.948 60 K CA -0.433 55.833 56.287 -0.035 0.000 0.796 60 K CB 1.914 34.392 32.500 -0.036 0.000 1.216 60 K HN 1.011 nan 8.250 nan 0.000 0.432 61 A N 4.085 126.868 122.820 -0.062 0.000 2.271 61 A HA 0.719 5.040 4.320 0.001 0.000 0.288 61 A C -0.921 176.602 177.584 -0.102 0.000 1.094 61 A CA -0.664 51.329 52.037 -0.073 0.000 0.828 61 A CB 0.500 19.464 19.000 -0.060 0.000 1.091 61 A HN 0.673 nan 8.150 nan 0.000 0.493 62 L N 0.095 121.249 121.223 -0.114 0.000 2.408 62 L HA 0.712 5.052 4.340 0.001 0.000 0.268 62 L C 0.096 176.882 176.870 -0.141 0.000 0.986 62 L CA -0.433 54.306 54.840 -0.167 0.000 0.820 62 L CB 2.049 43.959 42.059 -0.248 0.000 1.303 62 L HN 0.895 nan 8.230 nan 0.000 0.411 63 A N 1.364 124.094 122.820 -0.150 0.000 2.486 63 A HA 0.832 5.152 4.320 0.001 0.000 0.289 63 A C -1.572 175.933 177.584 -0.131 0.000 1.176 63 A CA -0.559 51.408 52.037 -0.115 0.000 0.757 63 A CB 1.790 20.741 19.000 -0.082 0.000 1.337 63 A HN 0.711 nan 8.150 nan 0.000 0.423 64 D N -1.312 119.031 120.400 -0.095 0.000 2.588 64 D HA 0.266 4.907 4.640 0.001 0.000 0.268 64 D C 1.100 177.368 176.300 -0.054 0.000 1.176 64 D CA -0.107 53.844 54.000 -0.081 0.000 1.080 64 D CB 0.073 40.836 40.800 -0.062 0.000 1.186 64 D HN 0.403 nan 8.370 nan 0.000 0.619 65 Q N -0.551 119.227 119.800 -0.036 0.000 2.297 65 Q HA -0.150 4.191 4.340 0.001 0.000 0.208 65 Q C 1.451 177.446 176.000 -0.009 0.000 0.981 65 Q CA 1.945 57.735 55.803 -0.021 0.000 0.876 65 Q CB -0.814 27.918 28.738 -0.009 0.000 0.921 65 Q HN 0.543 nan 8.270 nan 0.000 0.446 66 A N 0.219 123.040 122.820 0.000 0.000 2.147 66 A HA 0.466 4.787 4.320 0.001 0.000 0.211 66 A C 1.758 179.344 177.584 0.004 0.000 1.160 66 A CA 1.074 53.119 52.037 0.015 0.000 0.781 66 A CB -0.013 19.016 19.000 0.049 0.000 0.842 66 A HN 0.645 nan 8.150 nan 0.000 0.475 67 G N -1.699 107.093 108.800 -0.013 0.000 2.218 67 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 67 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 67 G C 0.416 175.301 174.900 -0.024 0.000 0.994 67 G CA 0.178 45.266 45.100 -0.021 0.000 0.637 67 G HN 0.607 nan 8.290 nan 0.000 0.505 68 T N 1.648 116.191 114.554 -0.019 0.000 2.928 68 T HA 0.342 4.693 4.350 0.001 0.000 0.305 68 T C 0.578 175.244 174.700 -0.056 0.000 1.035 68 T CA 0.523 62.606 62.100 -0.028 0.000 1.145 68 T CB 1.000 69.849 68.868 -0.031 0.000 0.963 68 T HN 0.548 nan 8.240 nan 0.000 0.545 69 N N 1.937 120.605 118.700 -0.053 0.000 2.492 69 N HA 0.056 4.797 4.740 0.001 0.000 0.260 69 N C 0.569 176.036 175.510 -0.071 0.000 1.215 69 N CA -0.024 52.990 53.050 -0.059 0.000 0.923 69 N CB 0.298 38.760 38.487 -0.042 0.000 1.092 69 N HN 0.564 nan 8.380 nan 0.000 0.448 70 L N 1.368 122.552 121.223 -0.065 0.000 2.590 70 L HA 0.220 4.561 4.340 0.001 0.000 0.227 70 L C 0.516 177.376 176.870 -0.017 0.000 1.099 70 L CA 0.106 54.922 54.840 -0.041 0.000 0.872 70 L CB -0.258 41.778 42.059 -0.038 0.000 1.088 70 L HN 0.679 nan 8.230 nan 0.000 0.479 71 E N 0.812 120.994 120.200 -0.029 0.000 2.868 71 E HA -0.219 4.132 4.350 0.001 0.000 0.278 71 E C -0.471 176.106 176.600 -0.039 0.000 1.009 71 E CA 0.535 56.922 56.400 -0.023 0.000 0.856 71 E CB -1.527 28.176 29.700 0.005 0.000 1.428 71 E HN 0.483 nan 8.360 nan 0.000 0.423 72 I N 0.686 121.234 120.570 -0.036 0.000 2.465 72 I HA 0.450 4.621 4.170 0.001 0.000 0.291 72 I C 0.089 176.171 176.117 -0.058 0.000 1.014 72 I CA -0.315 60.967 61.300 -0.030 0.000 1.093 72 I CB 2.097 40.120 38.000 0.038 0.000 1.267 72 I HN 0.158 nan 8.210 nan 0.000 0.431 73 T N 3.878 118.396 114.554 -0.059 0.000 2.848 73 T HA 0.672 5.023 4.350 0.001 0.000 0.285 73 T C -0.569 174.119 174.700 -0.020 0.000 0.995 73 T CA -0.624 61.442 62.100 -0.057 0.000 0.970 73 T CB 1.476 70.301 68.868 -0.071 0.000 0.976 73 T HN 0.336 nan 8.240 nan 0.000 0.441 74 I N 4.914 125.480 120.570 -0.007 0.000 2.337 74 I HA 0.365 4.536 4.170 0.001 0.000 0.285 74 I C 0.566 176.707 176.117 0.040 0.000 1.041 74 I CA -1.056 60.275 61.300 0.052 0.000 1.199 74 I CB 0.494 38.533 38.000 0.066 0.000 1.370 74 I HN 0.688 nan 8.210 nan 0.000 0.470 75 I N 2.247 122.840 120.570 0.037 0.000 2.970 75 I HA 0.593 4.764 4.170 0.001 0.000 0.310 75 I C -0.272 175.873 176.117 0.048 0.000 1.010 75 I CA -0.204 61.114 61.300 0.031 0.000 1.228 75 I CB 1.558 39.572 38.000 0.023 0.000 1.433 75 I HN 0.284 nan 8.210 nan 0.000 0.573 76 T N 5.166 119.745 114.554 0.042 0.000 2.840 76 T HA 0.500 4.850 4.350 0.001 0.000 0.287 76 T C -0.346 174.380 174.700 0.043 0.000 0.991 76 T CA -0.536 61.590 62.100 0.044 0.000 0.964 76 T CB 1.341 70.230 68.868 0.034 0.000 0.954 76 T HN 0.270 nan 8.240 nan 0.000 0.438 77 L N 2.644 123.899 121.223 0.054 0.000 2.375 77 L HA 0.507 4.847 4.340 0.001 0.000 0.271 77 L C 0.647 177.523 176.870 0.010 0.000 1.107 77 L CA -0.408 54.455 54.840 0.038 0.000 0.806 77 L CB 0.630 42.718 42.059 0.049 0.000 1.146 77 L HN 0.659 nan 8.230 nan 0.000 0.447 78 K N 3.861 124.264 120.400 0.004 0.000 2.290 78 K HA 0.441 4.762 4.320 0.001 0.000 0.250 78 K C -0.507 176.084 176.600 -0.016 0.000 1.092 78 K CA -0.288 55.998 56.287 -0.003 0.000 1.006 78 K CB 0.475 32.978 32.500 0.004 0.000 1.549 78 K HN 0.658 nan 8.250 nan 0.000 0.436 79 R N 2.015 122.496 120.500 -0.031 0.000 2.828 79 R HA 0.001 4.342 4.340 0.001 0.000 0.280 79 R C -0.460 175.801 176.300 -0.066 0.000 1.020 79 R CA -0.489 55.583 56.100 -0.046 0.000 0.855 79 R CB 0.355 30.620 30.300 -0.058 0.000 1.278 79 R HN 0.629 nan 8.270 nan 0.000 0.495 80 N N 0.606 119.268 118.700 -0.063 0.000 2.626 80 N HA -0.087 4.654 4.740 0.001 0.000 0.193 80 N C -0.179 175.266 175.510 -0.109 0.000 1.213 80 N CA 0.159 53.169 53.050 -0.068 0.000 0.914 80 N CB 0.062 38.521 38.487 -0.047 0.000 0.994 80 N HN 0.399 nan 8.380 nan 0.000 0.447 81 E N 1.670 121.774 120.200 -0.160 0.000 1.944 81 E HA 0.052 4.403 4.350 0.001 0.000 0.272 81 E C -0.754 175.621 176.600 -0.376 0.000 1.195 81 E CA -0.213 56.025 56.400 -0.270 0.000 0.926 81 E CB 0.094 29.598 29.700 -0.327 0.000 1.051 81 E HN -0.029 nan 8.360 nan 0.000 0.404 82 K N 4.618 124.853 120.400 -0.274 0.000 2.262 82 K HA 0.179 4.500 4.320 0.001 0.000 0.282 82 K C -0.462 176.004 176.600 -0.223 0.000 1.066 82 K CA -0.389 55.773 56.287 -0.209 0.000 0.901 82 K CB 0.209 32.659 32.500 -0.082 0.000 1.089 82 K HN 0.369 nan 8.250 nan 0.000 0.476 83 F N 1.461 121.388 119.950 -0.038 0.000 2.403 83 F HA 0.217 4.745 4.527 0.002 0.000 0.320 83 F C 1.516 177.304 175.800 -0.022 0.000 1.176 83 F CA -0.322 57.654 58.000 -0.040 0.000 1.206 83 F CB 0.406 39.370 39.000 -0.060 0.000 1.235 83 F HN 0.210 nan 8.300 nan 0.000 0.565 84 R N 0.793 121.406 120.500 0.188 0.000 2.537 84 R HA 0.041 4.382 4.340 0.001 0.000 0.280 84 R C -0.624 175.745 176.300 0.115 0.000 1.058 84 R CA -0.463 55.698 56.100 0.102 0.000 1.057 84 R CB 0.104 30.435 30.300 0.052 0.000 0.973 84 R HN 0.446 nan 8.270 nan 0.000 0.438 85 D N 3.988 124.451 120.400 0.106 0.000 2.363 85 D HA -0.001 4.640 4.640 0.001 0.000 0.263 85 D C 0.433 176.789 176.300 0.093 0.000 1.258 85 D CA 0.004 54.070 54.000 0.109 0.000 0.907 85 D CB 0.451 41.305 40.800 0.090 0.000 1.107 85 D HN 0.580 nan 8.370 nan 0.000 0.495 86 I N 0.787 121.399 120.570 0.070 0.000 3.707 86 I HA 0.287 4.457 4.170 0.001 0.000 0.330 86 I C 1.337 177.510 176.117 0.093 0.000 1.572 86 I CA -0.768 60.617 61.300 0.142 0.000 1.104 86 I CB 0.403 38.412 38.000 0.015 0.000 1.240 86 I HN 0.047 nan 8.210 nan 0.000 0.475 87 R N 2.307 122.806 120.500 -0.003 0.000 2.080 87 R HA -0.040 4.301 4.340 0.001 0.000 0.236 87 R C -0.491 175.813 176.300 0.007 0.000 1.137 87 R CA 2.115 58.183 56.100 -0.054 0.000 0.943 87 R CB -1.665 28.569 30.300 -0.109 0.000 0.846 87 R HN 0.389 nan 8.270 nan 0.000 0.431 88 P HA -0.195 nan 4.420 nan 0.000 0.219 88 P C 0.542 177.765 177.300 -0.128 0.000 1.144 88 P CA 1.566 64.617 63.100 -0.082 0.000 0.806 88 P CB -0.206 31.406 31.700 -0.146 0.000 0.771 89 H N -1.003 118.077 119.070 0.017 0.000 2.502 89 H HA 0.137 4.694 4.556 0.001 0.000 0.283 89 H C 1.166 176.515 175.328 0.034 0.000 1.015 89 H CA 0.194 56.273 56.048 0.051 0.000 1.298 89 H CB 0.009 29.830 29.762 0.099 0.000 1.411 89 H HN 0.209 nan 8.280 nan 0.000 0.556 90 I N 4.381 125.019 120.570 0.113 0.000 2.471 90 I HA 0.059 4.230 4.170 0.001 0.000 0.286 90 I C -1.855 174.282 176.117 0.033 0.000 1.079 90 I CA -1.797 59.546 61.300 0.072 0.000 1.398 90 I CB 1.098 39.147 38.000 0.081 0.000 1.403 90 I HN -0.094 nan 8.210 nan 0.000 0.530 91 P HA 0.020 nan 4.420 nan 0.000 0.272 91 P C 0.629 177.920 177.300 -0.015 0.000 1.240 91 P CA -0.201 62.894 63.100 -0.009 0.000 0.791 91 P CB 0.619 32.309 31.700 -0.017 0.000 0.978 92 T N -2.356 112.190 114.554 -0.014 0.000 2.978 92 T HA 0.005 4.356 4.350 0.001 0.000 0.262 92 T C 0.709 175.398 174.700 -0.018 0.000 1.063 92 T CA 0.872 62.968 62.100 -0.008 0.000 1.140 92 T CB -0.109 68.758 68.868 -0.002 0.000 0.886 92 T HN 0.453 nan 8.240 nan 0.000 0.470 93 Q N -0.318 119.468 119.800 -0.023 0.000 2.484 93 Q HA 0.560 4.901 4.340 0.001 0.000 0.285 93 Q C -1.233 174.748 176.000 -0.032 0.000 1.097 93 Q CA -1.315 54.474 55.803 -0.024 0.000 0.802 93 Q CB 2.036 30.770 28.738 -0.007 0.000 1.444 93 Q HN 0.232 nan 8.270 nan 0.000 0.429 94 I N 1.668 122.222 120.570 -0.028 0.000 3.022 94 I HA -0.096 4.075 4.170 0.001 0.000 0.290 94 I C 0.057 176.170 176.117 -0.006 0.000 1.212 94 I CA 1.154 62.442 61.300 -0.020 0.000 1.377 94 I CB -0.707 37.291 38.000 -0.003 0.000 1.417 94 I HN 0.331 nan 8.210 nan 0.000 0.540 95 T N 6.450 121.000 114.554 -0.006 0.000 2.829 95 T HA 0.403 4.754 4.350 0.001 0.000 0.282 95 T C 0.042 174.753 174.700 0.017 0.000 0.990 95 T CA -0.748 61.353 62.100 0.002 0.000 1.028 95 T CB 0.894 69.758 68.868 -0.006 0.000 0.951 95 T HN 0.486 nan 8.240 nan 0.000 0.460 96 E N 1.194 121.406 120.200 0.020 0.000 2.214 96 E HA 0.583 4.934 4.350 0.001 0.000 0.274 96 E C -0.396 176.217 176.600 0.022 0.000 0.977 96 E CA -0.682 55.737 56.400 0.032 0.000 0.827 96 E CB 1.750 31.471 29.700 0.035 0.000 1.130 96 E HN 0.458 nan 8.360 nan 0.000 0.394 97 T N 0.873 115.444 114.554 0.028 0.000 2.933 97 T HA 0.156 4.507 4.350 0.001 0.000 0.305 97 T C 0.034 174.749 174.700 0.024 0.000 1.092 97 T CA -0.645 61.463 62.100 0.014 0.000 1.008 97 T CB 1.208 70.075 68.868 -0.003 0.000 1.102 97 T HN 0.406 nan 8.240 nan 0.000 0.469 98 N N 2.405 121.115 118.700 0.017 0.000 2.467 98 N HA 0.077 4.818 4.740 0.001 0.000 0.184 98 N C -0.220 175.302 175.510 0.021 0.000 1.106 98 N CA 0.382 53.446 53.050 0.024 0.000 0.892 98 N CB 0.326 38.823 38.487 0.018 0.000 0.969 98 N HN 0.616 nan 8.380 nan 0.000 0.454 99 D N -0.396 120.010 120.400 0.010 0.000 2.846 99 D HA 0.275 4.916 4.640 0.001 0.000 0.279 99 D C -0.239 176.057 176.300 -0.007 0.000 1.222 99 D CA -0.378 53.625 54.000 0.005 0.000 0.769 99 D CB -0.076 40.728 40.800 0.006 0.000 1.299 99 D HN 0.151 nan 8.370 nan 0.000 0.537 100 G N -0.039 108.747 108.800 -0.023 0.000 2.537 100 G HA2 0.550 4.511 3.960 0.001 0.000 0.273 100 G HA3 0.550 4.511 3.960 0.001 0.000 0.273 100 G C -0.573 174.274 174.900 -0.089 0.000 1.189 100 G CA -0.362 44.701 45.100 -0.061 0.000 0.881 100 G HN 0.208 nan 8.290 nan 0.000 0.535 101 V N 1.094 120.946 119.914 -0.103 0.000 2.638 101 V HA 0.338 4.459 4.120 0.001 0.000 0.306 101 V C -0.730 175.261 176.094 -0.171 0.000 1.052 101 V CA -0.769 61.466 62.300 -0.108 0.000 0.885 101 V CB 1.701 33.504 31.823 -0.034 0.000 0.999 101 V HN 0.695 nan 8.190 nan 0.000 0.424 102 L N 6.747 127.833 121.223 -0.228 0.000 2.276 102 L HA 0.634 4.975 4.340 0.001 0.000 0.286 102 L C -0.536 176.193 176.870 -0.235 0.000 1.061 102 L CA 0.276 54.962 54.840 -0.258 0.000 0.807 102 L CB 0.808 42.681 42.059 -0.310 0.000 1.177 102 L HN 0.534 nan 8.230 nan 0.000 0.429 103 I N 6.121 126.553 120.570 -0.230 0.000 2.355 103 I HA 0.507 4.678 4.170 0.001 0.000 0.288 103 I C -0.735 175.205 176.117 -0.295 0.000 0.999 103 I CA -0.667 60.432 61.300 -0.334 0.000 1.163 103 I CB 1.651 39.498 38.000 -0.255 0.000 1.316 103 I HN 0.290 nan 8.210 nan 0.000 0.454 104 V N 5.625 125.326 119.914 -0.355 0.000 2.962 104 V HA 0.503 4.623 4.120 0.001 0.000 0.313 104 V C -0.535 175.436 176.094 -0.206 0.000 1.099 104 V CA -0.735 61.425 62.300 -0.233 0.000 0.971 104 V CB 2.487 34.165 31.823 -0.242 0.000 1.028 104 V HN 0.853 nan 8.190 nan 0.000 0.430 105 N N 1.335 119.978 118.700 -0.095 0.000 2.812 105 N HA 0.483 5.224 4.740 0.001 0.000 0.262 105 N C -0.994 174.516 175.510 -0.000 0.000 1.241 105 N CA -0.038 52.979 53.050 -0.056 0.000 0.854 105 N CB 1.532 39.967 38.487 -0.087 0.000 1.506 105 N HN 0.933 nan 8.380 nan 0.000 0.576 106 T N -1.227 113.345 114.554 0.030 0.000 2.778 106 T HA 0.287 4.638 4.350 0.001 0.000 0.293 106 T C 1.228 175.927 174.700 -0.003 0.000 1.144 106 T CA -0.279 61.832 62.100 0.019 0.000 1.010 106 T CB 1.033 69.916 68.868 0.026 0.000 1.325 106 T HN 0.227 nan 8.240 nan 0.000 0.515 107 S N -0.445 115.239 115.700 -0.027 0.000 2.481 107 S HA -0.034 4.437 4.470 0.001 0.000 0.231 107 S C 1.665 176.210 174.600 -0.091 0.000 0.996 107 S CA 0.796 58.970 58.200 -0.044 0.000 0.942 107 S CB -0.499 62.677 63.200 -0.040 0.000 0.768 107 S HN 0.768 nan 8.310 nan 0.000 0.520 108 K N -0.067 120.254 120.400 -0.133 0.000 2.186 108 K HA 0.079 4.399 4.320 0.001 0.000 0.202 108 K C -0.563 175.723 176.600 -0.524 0.000 1.052 108 K CA 0.579 56.675 56.287 -0.318 0.000 0.965 108 K CB 0.147 32.441 32.500 -0.344 0.000 0.746 108 K HN 0.470 nan 8.250 nan 0.000 0.457 109 Y N 1.150 121.422 120.300 -0.047 0.000 2.584 109 Y HA 0.345 4.896 4.550 0.001 0.000 0.358 109 Y C -2.590 173.275 175.900 -0.060 0.000 1.028 109 Y CA -2.986 55.085 58.100 -0.049 0.000 1.148 109 Y CB 1.080 39.503 38.460 -0.062 0.000 1.126 109 Y HN 0.038 nan 8.280 nan 0.000 0.658 110 P HA 0.099 nan 4.420 nan 0.000 0.275 110 P C -0.305 177.010 177.300 0.025 0.000 1.227 110 P CA -0.109 63.007 63.100 0.026 0.000 0.781 110 P CB 0.578 32.287 31.700 0.016 0.000 0.906 111 N N 0.489 119.180 118.700 -0.014 0.000 2.689 111 N HA -0.224 4.517 4.740 0.001 0.000 0.263 111 N C -0.322 175.138 175.510 -0.084 0.000 0.987 111 N CA 0.972 54.009 53.050 -0.021 0.000 0.782 111 N CB -1.194 37.384 38.487 0.153 0.000 0.903 111 N HN 0.587 nan 8.380 nan 0.000 0.547 112 M N 1.200 120.636 119.600 -0.273 0.000 2.144 112 M HA 0.244 4.725 4.480 0.001 0.000 0.356 112 M C -1.058 174.940 176.300 -0.504 0.000 1.217 112 M CA -0.385 54.791 55.300 -0.207 0.000 1.087 112 M CB 0.523 33.049 32.600 -0.123 0.000 1.609 112 M HN 0.169 nan 8.290 nan 0.000 0.467 113 Y N 4.141 124.420 120.300 -0.035 0.000 2.402 113 Y HA 0.438 4.989 4.550 0.001 0.000 0.325 113 Y C -0.749 175.128 175.900 -0.038 0.000 1.009 113 Y CA -0.860 57.186 58.100 -0.091 0.000 1.278 113 Y CB 1.318 39.657 38.460 -0.201 0.000 1.105 113 Y HN 0.305 nan 8.280 nan 0.000 0.476 114 V N 5.472 125.346 119.914 -0.067 0.000 2.370 114 V HA 0.373 4.494 4.120 0.001 0.000 0.279 114 V C -2.223 173.742 176.094 -0.215 0.000 1.029 114 V CA -2.279 59.893 62.300 -0.213 0.000 0.870 114 V CB 1.639 33.166 31.823 -0.494 0.000 0.984 114 V HN 0.464 nan 8.190 nan 0.000 0.451 115 P HA 0.093 nan 4.420 nan 0.000 0.260 115 P C 0.703 177.874 177.300 -0.213 0.000 1.651 115 P CA 0.022 63.060 63.100 -0.103 0.000 1.139 115 P CB 0.757 32.447 31.700 -0.017 0.000 1.756 116 V N 0.363 120.136 119.914 -0.235 0.000 3.510 116 V HA 0.235 4.356 4.120 0.001 0.000 0.270 116 V C 1.173 177.274 176.094 0.012 0.000 1.201 116 V CA 0.643 62.844 62.300 -0.165 0.000 1.166 116 V CB -1.646 30.062 31.823 -0.191 0.000 0.825 116 V HN 0.655 nan 8.190 nan 0.000 0.484 117 G N 0.505 109.302 108.800 -0.005 0.000 2.552 117 G HA2 -0.048 3.913 3.960 0.001 0.000 0.265 117 G HA3 -0.048 3.913 3.960 0.001 0.000 0.265 117 G C 0.394 175.327 174.900 0.055 0.000 1.234 117 G CA 0.223 45.346 45.100 0.038 0.000 0.944 117 G HN 1.906 nan 8.290 nan 0.000 0.568 118 A N -1.089 121.777 122.820 0.076 0.000 2.540 118 A HA 0.481 4.802 4.320 0.001 0.000 0.239 118 A C 0.422 178.084 177.584 0.130 0.000 1.061 118 A CA 0.961 53.048 52.037 0.084 0.000 0.758 118 A CB 0.349 19.397 19.000 0.080 0.000 0.991 118 A HN 1.858 nan 8.150 nan 0.000 0.502 119 V N 4.111 124.094 119.914 0.115 0.000 2.325 119 V HA 0.428 4.549 4.120 0.001 0.000 0.280 119 V C 0.498 176.670 176.094 0.130 0.000 1.016 119 V CA 0.118 62.518 62.300 0.166 0.000 0.818 119 V CB 0.907 32.803 31.823 0.122 0.000 1.019 119 V HN 1.162 nan 8.190 nan 0.000 0.434 120 T N 0.994 115.628 114.554 0.134 0.000 2.948 120 T HA 0.626 4.977 4.350 0.001 0.000 0.285 120 T C -0.243 174.518 174.700 0.102 0.000 1.019 120 T CA -0.871 61.287 62.100 0.097 0.000 1.013 120 T CB 1.849 70.764 68.868 0.078 0.000 1.117 120 T HN 0.530 nan 8.240 nan 0.000 0.533 121 E N 0.858 121.104 120.200 0.077 0.000 2.289 121 E HA 0.140 4.491 4.350 0.001 0.000 0.278 121 E C 0.411 177.053 176.600 0.071 0.000 1.032 121 E CA -0.379 56.064 56.400 0.072 0.000 0.854 121 E CB 1.416 31.147 29.700 0.053 0.000 1.046 121 E HN 0.682 nan 8.360 nan 0.000 0.409 122 Q N 2.806 122.651 119.800 0.076 0.000 2.297 122 Q HA 0.067 4.407 4.340 0.001 0.000 0.203 122 Q C 0.903 176.927 176.000 0.041 0.000 0.931 122 Q CA 1.369 57.210 55.803 0.064 0.000 0.885 122 Q CB 0.314 29.100 28.738 0.081 0.000 0.991 122 Q HN 0.872 nan 8.270 nan 0.000 0.498 123 G N -0.535 108.283 108.800 0.029 0.000 2.536 123 G HA2 -0.346 3.615 3.960 0.001 0.000 0.277 123 G HA3 -0.346 3.615 3.960 0.001 0.000 0.277 123 G C -0.763 174.120 174.900 -0.027 0.000 1.155 123 G CA 0.058 45.188 45.100 0.050 0.000 0.960 123 G HN 0.237 nan 8.290 nan 0.000 0.544 124 Y N 0.559 120.831 120.300 -0.045 0.000 2.393 124 Y HA 0.629 5.180 4.550 0.001 0.000 0.338 124 Y C 0.765 176.600 175.900 -0.109 0.000 1.029 124 Y CA 0.005 58.066 58.100 -0.065 0.000 1.239 124 Y CB 1.257 39.686 38.460 -0.051 0.000 1.170 124 Y HN 0.668 nan 8.280 nan 0.000 0.515 125 L N 3.462 124.639 121.223 -0.076 0.000 2.333 125 L HA 0.484 4.825 4.340 0.001 0.000 0.269 125 L C -0.436 176.347 176.870 -0.144 0.000 1.010 125 L CA -0.532 54.191 54.840 -0.194 0.000 0.818 125 L CB 1.911 43.752 42.059 -0.364 0.000 1.306 125 L HN 0.691 nan 8.230 nan 0.000 0.430 126 N N 3.719 122.315 118.700 -0.173 0.000 2.886 126 N HA 0.241 4.982 4.740 0.001 0.000 0.285 126 N C -1.176 174.255 175.510 -0.133 0.000 1.706 126 N CA -0.396 52.588 53.050 -0.111 0.000 0.904 126 N CB 0.435 38.880 38.487 -0.070 0.000 1.224 126 N HN 0.627 nan 8.380 nan 0.000 0.488 127 L N 1.951 123.084 121.223 -0.151 0.000 2.418 127 L HA 0.328 4.669 4.340 0.001 0.000 0.274 127 L C 0.859 177.686 176.870 -0.071 0.000 1.135 127 L CA -0.087 54.677 54.840 -0.126 0.000 0.870 127 L CB 0.153 42.139 42.059 -0.123 0.000 1.154 127 L HN 0.459 nan 8.230 nan 0.000 0.462 128 G N 4.224 112.991 108.800 -0.054 0.000 2.816 128 G HA2 -0.050 3.911 3.960 0.001 0.000 0.341 128 G HA3 -0.050 3.911 3.960 0.001 0.000 0.341 128 G C 1.099 175.979 174.900 -0.034 0.000 0.171 128 G CA 0.630 45.706 45.100 -0.039 0.000 1.218 128 G HN 1.609 nan 8.290 nan 0.000 0.433 129 G N 1.747 110.532 108.800 -0.026 0.000 2.480 129 G HA2 -0.348 3.613 3.960 0.001 0.000 0.246 129 G HA3 -0.348 3.613 3.960 0.001 0.000 0.246 129 G C 0.761 175.651 174.900 -0.016 0.000 1.073 129 G CA 1.324 46.413 45.100 -0.018 0.000 0.643 129 G HN 1.311 nan 8.290 nan 0.000 0.525 130 R N 0.760 121.247 120.500 -0.021 0.000 2.388 130 R HA 0.521 4.862 4.340 0.001 0.000 0.314 130 R C 0.056 176.338 176.300 -0.030 0.000 0.959 130 R CA -0.673 55.417 56.100 -0.017 0.000 0.851 130 R CB 0.890 31.186 30.300 -0.008 0.000 1.168 130 R HN 0.304 nan 8.270 nan 0.000 0.472 131 Q N 2.628 122.413 119.800 -0.024 0.000 2.311 131 Q HA 0.135 4.476 4.340 0.001 0.000 0.272 131 Q C -0.868 175.105 176.000 -0.044 0.000 1.012 131 Q CA 0.907 56.694 55.803 -0.027 0.000 0.891 131 Q CB 0.777 29.520 28.738 0.008 0.000 1.201 131 Q HN 0.701 nan 8.270 nan 0.000 0.391 132 T N 2.042 116.546 114.554 -0.083 0.000 2.916 132 T HA 0.836 5.187 4.350 0.001 0.000 0.292 132 T C -1.103 173.470 174.700 -0.212 0.000 1.055 132 T CA -0.447 61.582 62.100 -0.118 0.000 1.009 132 T CB 1.747 70.554 68.868 -0.101 0.000 1.118 132 T HN 0.704 nan 8.240 nan 0.000 0.497 133 A N 1.122 123.794 122.820 -0.246 0.000 2.430 133 A HA 0.832 5.153 4.320 0.001 0.000 0.300 133 A C -0.382 177.081 177.584 -0.203 0.000 1.124 133 A CA -0.992 50.816 52.037 -0.382 0.000 0.766 133 A CB 0.756 19.428 19.000 -0.546 0.000 1.328 133 A HN 0.856 nan 8.150 nan 0.000 0.424 134 R N -0.612 119.777 120.500 -0.185 0.000 3.209 134 R HA -0.131 4.210 4.340 0.001 0.000 0.252 134 R C -0.218 176.067 176.300 -0.025 0.000 0.958 134 R CA 0.987 57.047 56.100 -0.066 0.000 0.651 134 R CB -2.456 27.842 30.300 -0.004 0.000 1.142 134 R HN 1.128 nan 8.270 nan 0.000 0.441 135 T N -2.125 112.413 114.554 -0.027 0.000 2.912 135 T HA 0.788 5.139 4.350 0.001 0.000 0.288 135 T C 0.208 174.962 174.700 0.089 0.000 1.030 135 T CA -1.115 61.003 62.100 0.031 0.000 1.020 135 T CB 2.248 71.112 68.868 -0.007 0.000 1.056 135 T HN 0.182 nan 8.240 nan 0.000 0.480 136 L N 2.203 123.523 121.223 0.163 0.000 2.346 136 L HA 0.582 4.923 4.340 0.001 0.000 0.274 136 L C -0.093 176.918 176.870 0.235 0.000 1.007 136 L CA -1.047 53.914 54.840 0.201 0.000 0.818 136 L CB 2.068 44.260 42.059 0.221 0.000 1.284 136 L HN 0.593 nan 8.230 nan 0.000 0.424 137 M N 4.147 123.854 119.600 0.178 0.000 2.227 137 M HA 0.434 4.915 4.480 0.001 0.000 0.335 137 M C -1.784 174.541 176.300 0.041 0.000 1.053 137 M CA -0.551 54.752 55.300 0.004 0.000 0.973 137 M CB 1.224 33.870 32.600 0.077 0.000 1.623 137 M HN 0.530 nan 8.290 nan 0.000 0.434 138 Y N 2.039 122.340 120.300 0.002 0.000 2.425 138 Y HA 0.477 5.027 4.550 0.001 0.000 0.344 138 Y C -0.481 175.477 175.900 0.096 0.000 0.969 138 Y CA -1.352 56.784 58.100 0.059 0.000 1.052 138 Y CB 0.603 39.095 38.460 0.054 0.000 1.215 138 Y HN 0.639 nan 8.280 nan 0.000 0.451 139 N N 3.525 122.373 118.700 0.246 0.000 2.968 139 N HA 0.157 4.898 4.740 0.001 0.000 0.271 139 N C -2.054 173.532 175.510 0.126 0.000 1.174 139 N CA -0.216 52.909 53.050 0.125 0.000 1.096 139 N CB -0.614 37.949 38.487 0.128 0.000 1.403 139 N HN 0.698 nan 8.380 nan 0.000 0.522 140 F N 2.668 122.583 119.950 -0.059 0.000 2.689 140 F HA 0.403 4.931 4.527 0.001 0.000 0.332 140 F C -2.389 173.379 175.800 -0.055 0.000 1.209 140 F CA -2.014 55.973 58.000 -0.021 0.000 1.028 140 F CB 1.900 40.948 39.000 0.079 0.000 1.291 140 F HN 0.139 nan 8.300 nan 0.000 0.500 141 P HA -0.047 nan 4.420 nan 0.000 0.221 141 P C -0.372 176.739 177.300 -0.314 0.000 1.287 141 P CA 0.824 63.644 63.100 -0.468 0.000 1.317 141 P CB -0.252 31.140 31.700 -0.513 0.000 1.721 142 T N 3.229 117.754 114.554 -0.047 0.000 2.834 142 T HA 0.110 4.461 4.350 0.001 0.000 0.298 142 T C 0.658 175.380 174.700 0.036 0.000 0.966 142 T CA -0.026 62.131 62.100 0.094 0.000 1.141 142 T CB 0.383 69.403 68.868 0.252 0.000 0.905 142 T HN 0.217 nan 8.240 nan 0.000 0.535 143 R N 1.637 122.138 120.500 0.001 0.000 2.549 143 R HA 0.653 4.993 4.340 0.001 0.000 0.267 143 R C 0.150 176.481 176.300 0.052 0.000 1.045 143 R CA -0.789 55.323 56.100 0.020 0.000 1.115 143 R CB 0.569 30.890 30.300 0.033 0.000 1.121 143 R HN 0.720 nan 8.270 nan 0.000 0.543 144 A N 0.636 123.510 122.820 0.091 0.000 2.498 144 A HA 0.361 4.682 4.320 0.001 0.000 0.239 144 A C 0.915 178.575 177.584 0.126 0.000 1.068 144 A CA 0.696 52.801 52.037 0.113 0.000 0.766 144 A CB -0.304 18.751 19.000 0.092 0.000 1.003 144 A HN 1.026 nan 8.150 nan 0.000 0.497 145 G N 1.065 109.944 108.800 0.131 0.000 2.147 145 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 145 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 145 G C 0.348 175.277 174.900 0.048 0.000 1.005 145 G CA 0.722 45.864 45.100 0.071 0.000 0.713 145 G HN 0.873 nan 8.290 nan 0.000 0.515 146 Q N -0.542 119.277 119.800 0.031 0.000 2.247 146 Q HA 0.555 4.896 4.340 0.001 0.000 0.204 146 Q C 1.462 177.515 176.000 0.090 0.000 0.872 146 Q CA 0.292 56.006 55.803 -0.148 0.000 0.951 146 Q CB 0.817 29.281 28.738 -0.457 0.000 1.099 146 Q HN 0.820 nan 8.270 nan 0.000 0.501 147 A N 0.145 123.224 122.820 0.431 0.000 2.483 147 A HA 0.441 4.762 4.320 0.001 0.000 0.238 147 A C 1.271 179.144 177.584 0.483 0.000 1.070 147 A CA 0.945 53.354 52.037 0.619 0.000 0.770 147 A CB -0.124 19.300 19.000 0.707 0.000 1.008 147 A HN 0.490 nan 8.150 nan 0.000 0.497 148 G N 1.067 110.062 108.800 0.324 0.000 2.308 148 G HA2 -0.003 3.958 3.960 0.001 0.000 0.221 148 G HA3 -0.003 3.958 3.960 0.001 0.000 0.221 148 G C 1.126 176.107 174.900 0.135 0.000 1.032 148 G CA 0.365 45.583 45.100 0.198 0.000 0.623 148 G HN 2.127 nan 8.290 nan 0.000 0.506 149 G N -0.150 108.729 108.800 0.132 0.000 2.647 149 G HA2 0.493 4.453 3.960 0.001 0.000 0.234 149 G HA3 0.493 4.453 3.960 0.001 0.000 0.234 149 G C 0.189 175.117 174.900 0.047 0.000 1.252 149 G CA 0.706 45.822 45.100 0.026 0.000 0.846 149 G HN 1.169 nan 8.290 nan 0.000 0.589 150 V N 2.082 121.979 119.914 -0.027 0.000 2.732 150 V HA 0.411 4.532 4.120 0.001 0.000 0.310 150 V C -0.028 176.034 176.094 -0.054 0.000 1.053 150 V CA -0.883 61.405 62.300 -0.020 0.000 0.957 150 V CB 1.825 33.622 31.823 -0.044 0.000 1.018 150 V HN 0.500 nan 8.190 nan 0.000 0.452 151 I N 3.385 123.932 120.570 -0.038 0.000 2.362 151 I HA 0.540 4.711 4.170 0.001 0.000 0.289 151 I C 0.328 176.428 176.117 -0.029 0.000 0.994 151 I CA 0.058 61.304 61.300 -0.090 0.000 1.158 151 I CB 1.407 39.333 38.000 -0.124 0.000 1.315 151 I HN 0.910 nan 8.210 nan 0.000 0.451 152 T N 2.944 117.490 114.554 -0.013 0.000 2.888 152 T HA 0.838 5.189 4.350 0.001 0.000 0.288 152 T C -0.275 174.450 174.700 0.042 0.000 1.063 152 T CA -0.666 61.479 62.100 0.076 0.000 1.010 152 T CB 2.214 71.219 68.868 0.227 0.000 1.214 152 T HN 0.809 nan 8.240 nan 0.000 0.533 153 C N -0.914 118.405 119.300 0.031 0.000 3.318 153 C HA 0.772 5.233 4.460 0.001 0.000 0.322 153 C C 0.198 175.054 174.990 -0.224 0.000 1.398 153 C CA -0.847 58.141 59.018 -0.050 0.000 1.339 153 C CB 0.587 28.295 27.740 -0.054 0.000 1.668 153 C HN 1.063 nan 8.230 nan 0.000 0.462 154 T N 1.866 116.280 114.554 -0.233 0.000 2.704 154 T HA 0.400 4.751 4.350 0.001 0.000 0.271 154 T C 1.490 175.788 174.700 -0.671 0.000 1.000 154 T CA 1.795 63.642 62.100 -0.423 0.000 1.216 154 T CB -0.622 68.127 68.868 -0.199 0.000 0.961 154 T HN 2.548 nan 8.240 nan 0.000 0.515 155 G N 3.098 110.996 108.800 -1.504 0.000 2.184 155 G HA2 -0.261 3.700 3.960 0.001 0.000 0.264 155 G HA3 -0.261 3.700 3.960 0.001 0.000 0.264 155 G C -0.056 174.643 174.900 -0.334 0.000 0.975 155 G CA 0.270 44.840 45.100 -0.884 0.000 0.642 155 G HN 0.717 nan 8.290 nan 0.000 0.536 156 K N -0.666 119.552 120.400 -0.303 0.000 2.464 156 K HA 0.623 4.944 4.320 0.001 0.000 0.253 156 K C -0.854 175.845 176.600 0.165 0.000 0.933 156 K CA -0.930 55.376 56.287 0.032 0.000 0.801 156 K CB 3.213 35.695 32.500 -0.030 0.000 1.271 156 K HN 0.041 nan 8.250 nan 0.000 0.430 157 V N 4.697 124.717 119.914 0.177 0.000 2.275 157 V HA 0.177 4.298 4.120 0.001 0.000 0.272 157 V C 0.882 177.015 176.094 0.065 0.000 1.028 157 V CA -0.421 61.954 62.300 0.125 0.000 0.810 157 V CB 0.343 32.222 31.823 0.094 0.000 1.043 157 V HN 0.808 nan 8.190 nan 0.000 0.453 158 I N 1.476 122.071 120.570 0.041 0.000 3.462 158 I HA 0.627 4.797 4.170 0.001 0.000 0.290 158 I C 0.838 176.965 176.117 0.018 0.000 1.236 158 I CA 0.448 61.759 61.300 0.019 0.000 1.418 158 I CB 0.559 38.567 38.000 0.014 0.000 1.102 158 I HN 0.554 nan 8.210 nan 0.000 0.441 159 G N 1.345 110.164 108.800 0.032 0.000 2.692 159 G HA2 0.573 4.533 3.960 0.001 0.000 0.291 159 G HA3 0.573 4.533 3.960 0.001 0.000 0.291 159 G C -1.622 173.321 174.900 0.072 0.000 1.423 159 G CA -0.682 44.453 45.100 0.057 0.000 0.843 159 G HN 0.075 nan 8.290 nan 0.000 0.486 160 M N 1.586 121.243 119.600 0.096 0.000 2.181 160 M HA 0.374 4.855 4.480 0.001 0.000 0.323 160 M C -0.547 175.853 176.300 0.166 0.000 1.004 160 M CA -0.860 54.506 55.300 0.111 0.000 0.941 160 M CB 1.278 33.929 32.600 0.085 0.000 1.579 160 M HN 0.805 nan 8.290 nan 0.000 0.427 161 H N 3.533 122.677 119.070 0.122 0.000 2.964 161 H HA 0.225 4.782 4.556 0.001 0.000 0.328 161 H C 0.468 175.909 175.328 0.189 0.000 1.030 161 H CA 0.789 56.954 56.048 0.194 0.000 1.445 161 H CB 0.762 30.627 29.762 0.172 0.000 1.449 161 H HN 0.500 nan 8.280 nan 0.000 0.581 162 V N 1.543 121.330 119.914 -0.211 0.000 3.451 162 V HA 0.607 4.728 4.120 0.001 0.000 0.288 162 V C 0.809 176.931 176.094 0.047 0.000 1.502 162 V CA 0.594 62.909 62.300 0.026 0.000 1.026 162 V CB 0.111 31.971 31.823 0.063 0.000 0.840 162 V HN 0.976 nan 8.190 nan 0.000 0.437 163 G N -1.168 107.457 108.800 -0.292 0.000 2.333 163 G HA2 0.623 4.583 3.960 0.001 0.000 0.288 163 G HA3 0.623 4.583 3.960 0.001 0.000 0.288 163 G C -0.517 174.434 174.900 0.085 0.000 1.286 163 G CA 0.343 45.445 45.100 0.003 0.000 0.865 163 G HN 1.361 nan 8.290 nan 0.000 0.506 164 G N -1.273 107.665 108.800 0.230 0.000 2.495 164 G HA2 0.584 4.544 3.960 0.001 0.000 0.294 164 G HA3 0.584 4.544 3.960 0.001 0.000 0.294 164 G C -0.683 174.368 174.900 0.251 0.000 1.397 164 G CA 0.534 45.768 45.100 0.224 0.000 0.790 164 G HN 1.614 nan 8.290 nan 0.000 0.486 165 N N -1.101 117.733 118.700 0.224 0.000 2.299 165 N HA 0.417 5.158 4.740 0.001 0.000 0.246 165 N C 1.277 176.842 175.510 0.091 0.000 1.254 165 N CA 0.809 53.970 53.050 0.185 0.000 0.879 165 N CB 1.006 39.655 38.487 0.270 0.000 1.214 165 N HN 2.011 nan 8.380 nan 0.000 0.510 166 G N -0.002 108.821 108.800 0.037 0.000 2.527 166 G HA2 -0.367 3.594 3.960 0.001 0.000 0.218 166 G HA3 -0.367 3.594 3.960 0.001 0.000 0.218 166 G C 1.172 176.020 174.900 -0.088 0.000 1.177 166 G CA 0.474 45.564 45.100 -0.018 0.000 0.695 166 G HN 0.362 nan 8.290 nan 0.000 0.517 167 S N 0.197 115.845 115.700 -0.086 0.000 2.427 167 S HA 0.305 4.776 4.470 0.001 0.000 0.224 167 S C 0.866 175.197 174.600 -0.447 0.000 1.047 167 S CA 1.190 59.244 58.200 -0.244 0.000 0.953 167 S CB 0.008 63.092 63.200 -0.193 0.000 0.824 167 S HN 0.783 nan 8.310 nan 0.000 0.502 168 H N -0.782 118.174 119.070 -0.191 0.000 2.737 168 H HA 0.689 5.246 4.556 0.001 0.000 0.358 168 H C 0.285 175.240 175.328 -0.620 0.000 1.187 168 H CA -0.354 55.450 56.048 -0.407 0.000 1.221 168 H CB 1.157 30.600 29.762 -0.531 0.000 1.799 168 H HN 0.290 nan 8.280 nan 0.000 0.568 169 G N 0.118 108.443 108.800 -0.792 0.000 2.524 169 G HA2 0.551 4.512 3.960 0.001 0.000 0.310 169 G HA3 0.551 4.512 3.960 0.001 0.000 0.310 169 G C -1.639 172.321 174.900 -1.567 0.000 1.279 169 G CA -0.477 44.133 45.100 -0.817 0.000 0.974 169 G HN 0.302 nan 8.290 nan 0.000 0.484 170 F N 0.293 119.966 119.950 -0.460 0.000 2.563 170 F HA 0.811 5.339 4.527 0.001 0.000 0.316 170 F C 0.401 176.106 175.800 -0.158 0.000 1.076 170 F CA -0.896 56.902 58.000 -0.338 0.000 0.921 170 F CB 2.805 41.685 39.000 -0.200 0.000 1.209 170 F HN 0.698 nan 8.300 nan 0.000 0.462 171 A N 1.004 123.971 122.820 0.244 0.000 2.486 171 A HA 0.847 5.168 4.320 0.001 0.000 0.300 171 A C -1.265 176.410 177.584 0.153 0.000 1.048 171 A CA -0.808 51.362 52.037 0.222 0.000 0.696 171 A CB 1.117 20.336 19.000 0.365 0.000 1.278 171 A HN 1.061 nan 8.150 nan 0.000 0.405 172 A N 1.327 124.207 122.820 0.100 0.000 2.409 172 A HA 0.622 4.943 4.320 0.001 0.000 0.267 172 A C 0.771 178.395 177.584 0.067 0.000 1.127 172 A CA 0.333 52.413 52.037 0.071 0.000 0.795 172 A CB -0.224 18.813 19.000 0.062 0.000 1.061 172 A HN 2.270 nan 8.150 nan 0.000 0.502 173 A N 2.948 125.794 122.820 0.044 0.000 2.462 173 A HA 0.522 4.842 4.320 0.001 0.000 0.243 173 A C 0.078 177.605 177.584 -0.095 0.000 1.076 173 A CA -0.015 52.022 52.037 -0.000 0.000 0.773 173 A CB -0.055 18.941 19.000 -0.007 0.000 1.010 173 A HN 0.843 nan 8.150 nan 0.000 0.493 174 L N 1.891 123.038 121.223 -0.128 0.000 2.322 174 L HA 0.521 4.861 4.340 0.001 0.000 0.279 174 L C 0.140 176.793 176.870 -0.361 0.000 1.036 174 L CA -0.351 54.336 54.840 -0.255 0.000 0.807 174 L CB 1.572 43.599 42.059 -0.053 0.000 1.226 174 L HN 0.730 nan 8.230 nan 0.000 0.433 175 K N 1.293 121.280 120.400 -0.688 0.000 2.464 175 K HA 0.362 4.682 4.320 0.001 0.000 0.253 175 K C 0.038 176.537 176.600 -0.169 0.000 0.933 175 K CA -0.967 55.054 56.287 -0.444 0.000 0.801 175 K CB 2.860 35.070 32.500 -0.483 0.000 1.271 175 K HN 0.276 nan 8.250 nan 0.000 0.430 176 R N 1.107 121.615 120.500 0.012 0.000 2.096 176 R HA -0.174 4.167 4.340 0.001 0.000 0.240 176 R C 1.433 177.852 176.300 0.198 0.000 1.139 176 R CA 2.521 58.704 56.100 0.139 0.000 0.952 176 R CB -0.528 29.819 30.300 0.078 0.000 0.854 176 R HN 0.735 nan 8.270 nan 0.000 0.436 177 S N -0.226 115.563 115.700 0.148 0.000 2.393 177 S HA -0.262 4.209 4.470 0.001 0.000 0.235 177 S C 1.650 176.354 174.600 0.173 0.000 1.061 177 S CA 1.830 60.130 58.200 0.168 0.000 1.129 177 S CB -0.814 62.502 63.200 0.194 0.000 1.011 177 S HN 0.389 nan 8.310 nan 0.000 0.436 178 Y N 0.741 120.933 120.300 -0.180 0.000 2.465 178 Y HA -0.110 4.441 4.550 0.001 0.000 0.277 178 Y C 0.356 175.814 175.900 -0.736 0.000 1.190 178 Y CA 0.174 57.976 58.100 -0.498 0.000 1.385 178 Y CB -1.112 36.913 38.460 -0.724 0.000 0.966 178 Y HN 0.198 nan 8.280 nan 0.000 0.579 179 F N -1.549 118.503 119.950 0.170 0.000 2.539 179 F HA 0.300 4.828 4.527 0.001 0.000 0.328 179 F C 0.475 176.303 175.800 0.047 0.000 1.148 179 F CA -1.546 56.526 58.000 0.121 0.000 0.940 179 F CB 0.891 39.965 39.000 0.124 0.000 1.194 179 F HN -0.472 nan 8.300 nan 0.000 0.438 180 T N 3.547 118.209 114.554 0.181 0.000 2.656 180 T HA -0.098 4.253 4.350 0.001 0.000 0.258 180 T C 0.355 175.089 174.700 0.057 0.000 1.020 180 T CA 0.388 62.546 62.100 0.097 0.000 1.191 180 T CB -0.246 68.672 68.868 0.083 0.000 1.004 180 T HN 0.534 nan 8.240 nan 0.000 0.498 181 Q N 1.849 121.679 119.800 0.050 0.000 2.428 181 Q HA 0.058 4.399 4.340 0.001 0.000 0.276 181 Q C 1.095 177.094 176.000 -0.001 0.000 1.059 181 Q CA -0.015 55.803 55.803 0.024 0.000 0.923 181 Q CB 0.334 29.093 28.738 0.035 0.000 1.283 181 Q HN 0.611 nan 8.270 nan 0.000 0.447 182 S N 0.751 116.441 115.700 -0.017 0.000 2.583 182 S HA -0.005 4.465 4.470 0.001 0.000 0.239 182 S C 0.922 175.527 174.600 0.009 0.000 0.966 182 S CA -0.111 58.080 58.200 -0.014 0.000 0.973 182 S CB 0.155 63.336 63.200 -0.032 0.000 0.794 182 S HN 0.593 nan 8.310 nan 0.000 0.463 183 Q N 0.509 120.319 119.800 0.017 0.000 2.425 183 Q HA 0.243 4.584 4.340 0.001 0.000 0.204 183 Q C 0.540 176.559 176.000 0.031 0.000 0.933 183 Q CA 0.229 56.047 55.803 0.027 0.000 0.939 183 Q CB 0.227 28.982 28.738 0.028 0.000 1.044 183 Q HN 0.546 nan 8.270 nan 0.000 0.513 184 G N -0.626 108.191 108.800 0.029 0.000 2.733 184 G HA2 0.240 4.201 3.960 0.001 0.000 0.297 184 G HA3 0.240 4.201 3.960 0.001 0.000 0.297 184 G C -0.792 174.124 174.900 0.026 0.000 1.422 184 G CA -0.534 44.590 45.100 0.040 0.000 0.942 184 G HN 0.185 nan 8.290 nan 0.000 0.510 185 E N 0.269 120.483 120.200 0.023 0.000 2.004 185 E HA 0.053 4.404 4.350 0.001 0.000 0.194 185 E C 0.787 177.363 176.600 -0.040 0.000 0.981 185 E CA 0.318 56.749 56.400 0.052 0.000 0.842 185 E CB 0.084 29.835 29.700 0.085 0.000 0.796 185 E HN 0.301 nan 8.360 nan 0.000 0.477 186 I N 1.691 122.170 120.570 -0.151 0.000 2.882 186 I HA -0.056 4.115 4.170 0.001 0.000 0.286 186 I C 1.334 177.371 176.117 -0.134 0.000 1.139 186 I CA 0.470 61.618 61.300 -0.253 0.000 1.379 186 I CB 0.863 38.645 38.000 -0.363 0.000 1.410 186 I HN 0.207 nan 8.210 nan 0.000 0.594 187 Q N 4.076 123.787 119.800 -0.147 0.000 2.163 187 Q HA 0.041 4.382 4.340 0.001 0.000 0.198 187 Q C -0.765 175.292 176.000 0.095 0.000 0.954 187 Q CA 1.204 56.987 55.803 -0.034 0.000 0.851 187 Q CB 0.506 29.224 28.738 -0.032 0.000 0.928 187 Q HN 0.677 nan 8.270 nan 0.000 0.459 188 W N -1.662 119.650 121.300 0.020 0.000 3.298 188 W HA 0.500 5.161 4.660 0.001 0.000 0.302 188 W C -1.722 174.814 176.519 0.027 0.000 1.255 188 W CA -0.981 56.370 57.345 0.011 0.000 1.196 188 W CB -0.132 29.337 29.460 0.015 0.000 1.364 188 W HN 0.011 nan 8.180 nan 0.000 0.566 189 M N 3.265 123.100 119.600 0.391 0.000 2.578 189 M HA 0.743 5.224 4.480 0.001 0.000 0.276 189 M C -1.633 174.882 176.300 0.359 0.000 1.245 189 M CA -0.565 54.895 55.300 0.267 0.000 0.871 189 M CB 2.946 35.543 32.600 -0.005 0.000 1.722 189 M HN 0.644 nan 8.290 nan 0.000 0.473 190 R N 1.355 122.045 120.500 0.316 0.000 3.231 190 R HA 0.380 4.721 4.340 0.001 0.000 0.279 190 R C -3.283 173.138 176.300 0.202 0.000 0.990 190 R CA -1.364 54.868 56.100 0.219 0.000 0.879 190 R CB -0.256 30.154 30.300 0.184 0.000 1.289 190 R HN 0.330 nan 8.270 nan 0.000 0.529 191 P HA -0.104 nan 4.420 nan 0.000 0.255 191 P C 0.220 177.602 177.300 0.137 0.000 1.141 191 P CA 0.630 63.802 63.100 0.120 0.000 0.767 191 P CB 0.611 32.360 31.700 0.082 0.000 0.726 192 S N 3.994 119.786 115.700 0.152 0.000 2.370 192 S HA -0.213 4.258 4.470 0.001 0.000 0.226 192 S C 1.641 176.324 174.600 0.138 0.000 1.033 192 S CA 1.594 59.901 58.200 0.178 0.000 1.011 192 S CB -0.416 62.886 63.200 0.170 0.000 0.852 192 S HN 0.607 nan 8.310 nan 0.000 0.457 193 K N 1.465 121.925 120.400 0.099 0.000 2.211 193 K HA -0.119 4.202 4.320 0.001 0.000 0.204 193 K C 1.318 177.941 176.600 0.039 0.000 1.047 193 K CA 1.458 57.784 56.287 0.065 0.000 0.935 193 K CB -0.334 32.199 32.500 0.055 0.000 0.728 193 K HN 0.424 nan 8.250 nan 0.000 0.452 194 E N 1.153 121.379 120.200 0.043 0.000 2.481 194 E HA -0.035 4.316 4.350 0.001 0.000 0.195 194 E C 0.516 177.109 176.600 -0.012 0.000 1.047 194 E CA 0.690 57.099 56.400 0.013 0.000 0.867 194 E CB 0.503 30.212 29.700 0.016 0.000 0.858 194 E HN 0.322 nan 8.360 nan 0.000 0.513 195 V N -3.838 116.075 119.914 -0.001 0.000 2.724 195 V HA 0.535 4.656 4.120 0.001 0.000 0.341 195 V C 0.821 176.785 176.094 -0.217 0.000 1.254 195 V CA -0.088 62.170 62.300 -0.069 0.000 1.261 195 V CB 0.015 31.845 31.823 0.012 0.000 1.445 195 V HN 0.203 nan 8.190 nan 0.000 0.652 196 G N 0.707 109.411 108.800 -0.159 0.000 2.530 196 G HA2 -0.386 3.575 3.960 0.001 0.000 0.247 196 G HA3 -0.386 3.575 3.960 0.001 0.000 0.247 196 G C 0.160 174.978 174.900 -0.137 0.000 1.067 196 G CA 0.954 45.936 45.100 -0.197 0.000 0.650 196 G HN 0.731 nan 8.290 nan 0.000 0.531 197 Y N 2.928 123.250 120.300 0.035 0.000 2.480 197 Y HA 0.414 4.965 4.550 0.001 0.000 0.338 197 Y C -1.219 174.722 175.900 0.069 0.000 1.220 197 Y CA -0.996 57.127 58.100 0.040 0.000 1.430 197 Y CB 0.542 38.957 38.460 -0.075 0.000 1.311 197 Y HN 0.176 nan 8.280 nan 0.000 0.575 198 P HA 0.307 nan 4.420 nan 0.000 0.283 198 P C -0.670 176.716 177.300 0.142 0.000 1.271 198 P CA -0.591 62.619 63.100 0.184 0.000 0.841 198 P CB 1.287 33.093 31.700 0.176 0.000 1.122 199 I N 1.119 121.749 120.570 0.100 0.000 2.692 199 I HA 0.080 4.250 4.170 0.001 0.000 0.284 199 I C 0.618 176.768 176.117 0.055 0.000 1.159 199 I CA -0.065 61.278 61.300 0.071 0.000 1.423 199 I CB 0.048 38.084 38.000 0.061 0.000 1.380 199 I HN 0.072 nan 8.210 nan 0.000 0.580 200 I N 5.650 126.233 120.570 0.021 0.000 2.321 200 I HA 0.227 4.398 4.170 0.001 0.000 0.291 200 I C 0.047 176.169 176.117 0.008 0.000 0.998 200 I CA -0.521 60.778 61.300 -0.001 0.000 1.227 200 I CB 0.613 38.569 38.000 -0.075 0.000 1.368 200 I HN 0.513 nan 8.210 nan 0.000 0.466 201 N N 4.691 123.422 118.700 0.051 0.000 2.513 201 N HA 0.643 5.384 4.740 0.001 0.000 0.274 201 N C -0.316 175.267 175.510 0.121 0.000 1.189 201 N CA -0.287 52.804 53.050 0.068 0.000 0.975 201 N CB 1.569 40.098 38.487 0.070 0.000 1.157 201 N HN 0.737 nan 8.380 nan 0.000 0.465 202 A N 1.294 124.172 122.820 0.098 0.000 2.459 202 A HA 0.516 4.837 4.320 0.001 0.000 0.296 202 A C -2.617 175.004 177.584 0.061 0.000 1.039 202 A CA -1.178 50.938 52.037 0.131 0.000 0.698 202 A CB 0.789 19.867 19.000 0.130 0.000 1.261 202 A HN 0.529 nan 8.150 nan 0.000 0.405 203 P HA 0.090 nan 4.420 nan 0.000 0.263 203 P C 0.940 178.242 177.300 0.003 0.000 1.195 203 P CA 0.377 63.476 63.100 -0.001 0.000 0.762 203 P CB 1.092 32.771 31.700 -0.036 0.000 0.799 204 S N 2.573 118.275 115.700 0.002 0.000 2.377 204 S HA -0.053 4.418 4.470 0.001 0.000 0.223 204 S C 0.839 175.427 174.600 -0.020 0.000 1.030 204 S CA 0.498 58.695 58.200 -0.005 0.000 0.970 204 S CB -0.118 63.080 63.200 -0.003 0.000 0.830 204 S HN 0.500 nan 8.310 nan 0.000 0.473 205 K N 1.861 122.252 120.400 -0.016 0.000 2.156 205 K HA 0.314 4.635 4.320 0.001 0.000 0.271 205 K C -0.240 176.349 176.600 -0.019 0.000 0.995 205 K CA -0.314 55.963 56.287 -0.017 0.000 0.890 205 K CB 1.285 33.780 32.500 -0.008 0.000 1.073 205 K HN 0.164 nan 8.250 nan 0.000 0.454 206 T N 2.136 116.676 114.554 -0.022 0.000 2.932 206 T HA 0.062 4.413 4.350 0.001 0.000 0.312 206 T C 0.608 175.302 174.700 -0.010 0.000 1.071 206 T CA 0.304 62.388 62.100 -0.027 0.000 1.128 206 T CB 0.462 69.306 68.868 -0.040 0.000 0.984 206 T HN 0.634 nan 8.240 nan 0.000 0.549 207 K N 3.088 123.478 120.400 -0.018 0.000 2.410 207 K HA 0.263 4.583 4.320 0.001 0.000 0.200 207 K C -0.045 176.572 176.600 0.028 0.000 1.023 207 K CA -0.068 56.218 56.287 -0.001 0.000 1.149 207 K CB 0.211 32.698 32.500 -0.022 0.000 0.859 207 K HN 0.501 nan 8.250 nan 0.000 0.514 208 L N 2.887 124.134 121.223 0.040 0.000 2.265 208 L HA 0.169 4.510 4.340 0.001 0.000 0.288 208 L C 0.115 177.149 176.870 0.275 0.000 1.058 208 L CA -0.248 54.664 54.840 0.120 0.000 0.809 208 L CB 0.764 42.820 42.059 -0.005 0.000 1.179 208 L HN 0.200 nan 8.230 nan 0.000 0.429 209 E N 3.983 124.386 120.200 0.337 0.000 2.312 209 E HA 0.569 4.920 4.350 0.001 0.000 0.267 209 E C -2.804 173.942 176.600 0.244 0.000 0.894 209 E CA -2.722 53.859 56.400 0.301 0.000 0.773 209 E CB 1.674 31.446 29.700 0.121 0.000 1.241 209 E HN 0.174 nan 8.360 nan 0.000 0.432 210 P HA -0.057 nan 4.420 nan 0.000 0.265 210 P C -0.261 176.954 177.300 -0.142 0.000 1.193 210 P CA 0.218 63.055 63.100 -0.438 0.000 0.765 210 P CB 0.767 32.008 31.700 -0.765 0.000 0.823 211 S N 2.465 118.141 115.700 -0.039 0.000 2.652 211 S HA 0.447 4.918 4.470 0.001 0.000 0.267 211 S C 1.429 175.990 174.600 -0.065 0.000 1.201 211 S CA 0.023 58.242 58.200 0.032 0.000 0.996 211 S CB 0.304 63.628 63.200 0.207 0.000 1.054 211 S HN 0.381 nan 8.310 nan 0.000 0.561 212 A N -0.495 122.184 122.820 -0.235 0.000 2.172 212 A HA 0.231 4.552 4.320 0.001 0.000 0.216 212 A C 0.856 178.118 177.584 -0.536 0.000 1.154 212 A CA 0.545 52.293 52.037 -0.483 0.000 0.701 212 A CB -0.930 17.619 19.000 -0.751 0.000 0.789 212 A HN 0.729 nan 8.150 nan 0.000 0.465 213 F N -2.079 117.949 119.950 0.131 0.000 2.772 213 F HA 0.248 4.776 4.527 0.001 0.000 0.302 213 F C 1.366 177.293 175.800 0.210 0.000 1.136 213 F CA -0.236 57.879 58.000 0.191 0.000 1.322 213 F CB -0.400 38.812 39.000 0.353 0.000 0.967 213 F HN 0.323 nan 8.300 nan 0.000 0.513 214 H N -0.813 118.342 119.070 0.142 0.000 2.389 214 H HA -0.169 4.388 4.556 0.002 0.000 0.299 214 H C 1.537 176.974 175.328 0.182 0.000 1.081 214 H CA 2.126 58.216 56.048 0.070 0.000 1.345 214 H CB 0.106 29.818 29.762 -0.083 0.000 1.393 214 H HN 0.273 nan 8.280 nan 0.000 0.520 215 Y N -1.159 119.189 120.300 0.080 0.000 2.510 215 Y HA 0.052 4.603 4.550 0.001 0.000 0.273 215 Y C 2.182 178.053 175.900 -0.048 0.000 1.119 215 Y CA 0.281 58.389 58.100 0.012 0.000 1.286 215 Y CB 0.311 38.778 38.460 0.012 0.000 1.061 215 Y HN 0.077 nan 8.280 nan 0.000 0.542 216 V N -0.764 119.182 119.914 0.052 0.000 2.307 216 V HA -0.211 3.910 4.120 0.001 0.000 0.245 216 V C 0.556 176.378 176.094 -0.453 0.000 1.045 216 V CA 1.449 63.611 62.300 -0.230 0.000 1.024 216 V CB -0.517 31.138 31.823 -0.280 0.000 0.651 216 V HN -0.020 nan 8.190 nan 0.000 0.449 217 F N -0.780 119.183 119.950 0.021 0.000 2.497 217 F HA 0.530 5.058 4.527 0.001 0.000 0.331 217 F C 0.470 176.188 175.800 -0.137 0.000 1.060 217 F CA -1.013 56.965 58.000 -0.037 0.000 0.989 217 F CB 0.803 39.865 39.000 0.104 0.000 1.245 217 F HN -0.072 nan 8.300 nan 0.000 0.486 218 E N -0.122 120.101 120.200 0.038 0.000 2.222 218 E HA 0.733 5.084 4.350 0.001 0.000 0.272 218 E C -0.369 176.232 176.600 0.001 0.000 0.982 218 E CA -0.866 55.496 56.400 -0.063 0.000 0.842 218 E CB 2.094 31.733 29.700 -0.101 0.000 1.144 218 E HN 0.808 nan 8.360 nan 0.000 0.397 219 G N -0.637 108.156 108.800 -0.012 0.000 2.387 219 G HA2 0.312 4.273 3.960 0.001 0.000 0.294 219 G HA3 0.312 4.273 3.960 0.001 0.000 0.294 219 G C -0.270 174.672 174.900 0.070 0.000 1.509 219 G CA -0.258 44.876 45.100 0.057 0.000 0.806 219 G HN 0.462 nan 8.290 nan 0.000 0.546 220 V N -2.786 117.187 119.914 0.100 0.000 3.548 220 V HA 0.468 4.589 4.120 0.001 0.000 0.279 220 V C 0.673 176.841 176.094 0.124 0.000 1.446 220 V CA 0.264 62.626 62.300 0.103 0.000 1.023 220 V CB -0.279 31.581 31.823 0.063 0.000 0.820 220 V HN 0.495 nan 8.190 nan 0.000 0.438 221 K N 1.583 122.057 120.400 0.124 0.000 2.276 221 K HA 0.504 4.825 4.320 0.001 0.000 0.259 221 K C -0.298 176.319 176.600 0.027 0.000 1.001 221 K CA 0.202 56.521 56.287 0.053 0.000 0.927 221 K CB 0.698 33.204 32.500 0.009 0.000 0.969 221 K HN 0.551 nan 8.250 nan 0.000 0.490 222 E N 0.739 120.853 120.200 -0.142 0.000 2.429 222 E HA 0.282 4.633 4.350 0.001 0.000 0.276 222 E C -2.704 173.618 176.600 -0.464 0.000 0.953 222 E CA -2.361 53.831 56.400 -0.347 0.000 0.787 222 E CB 2.001 31.646 29.700 -0.090 0.000 1.307 222 E HN 0.256 nan 8.360 nan 0.000 0.458 223 P HA -0.026 nan 4.420 nan 0.000 0.265 223 P C -0.915 176.269 177.300 -0.194 0.000 1.193 223 P CA 0.275 63.144 63.100 -0.386 0.000 0.765 223 P CB 0.407 31.911 31.700 -0.327 0.000 0.823 224 A N 3.604 126.345 122.820 -0.133 0.000 2.492 224 A HA 0.140 4.461 4.320 0.001 0.000 0.236 224 A C 0.127 177.695 177.584 -0.028 0.000 1.078 224 A CA -0.194 51.810 52.037 -0.054 0.000 0.773 224 A CB -0.224 18.762 19.000 -0.025 0.000 1.023 224 A HN 0.406 nan 8.150 nan 0.000 0.504 225 V N 1.941 121.871 119.914 0.025 0.000 2.637 225 V HA 0.102 4.223 4.120 0.001 0.000 0.296 225 V C 1.069 177.141 176.094 -0.036 0.000 1.046 225 V CA 0.391 62.673 62.300 -0.030 0.000 1.066 225 V CB 0.615 32.425 31.823 -0.022 0.000 0.968 225 V HN 0.766 nan 8.190 nan 0.000 0.483 226 L N 3.147 124.273 121.223 -0.161 0.000 2.749 226 L HA 0.245 4.586 4.340 0.001 0.000 0.242 226 L C 0.788 177.526 176.870 -0.220 0.000 1.103 226 L CA 0.351 55.143 54.840 -0.080 0.000 0.906 226 L CB 0.772 42.813 42.059 -0.030 0.000 1.228 226 L HN 0.881 nan 8.230 nan 0.000 0.517 227 T N -4.971 109.306 114.554 -0.462 0.000 2.883 227 T HA 0.345 4.696 4.350 0.001 0.000 0.301 227 T C 0.397 174.710 174.700 -0.645 0.000 1.158 227 T CA -0.795 61.054 62.100 -0.419 0.000 1.007 227 T CB 2.343 71.120 68.868 -0.152 0.000 1.186 227 T HN -0.226 nan 8.240 nan 0.000 0.499 228 K N 1.200 121.398 120.400 -0.337 0.000 2.144 228 K HA -0.107 4.214 4.320 0.001 0.000 0.209 228 K C 1.266 177.804 176.600 -0.102 0.000 1.047 228 K CA 1.767 57.990 56.287 -0.107 0.000 0.927 228 K CB -0.549 32.008 32.500 0.095 0.000 0.716 228 K HN 0.515 nan 8.250 nan 0.000 0.454 229 N N 0.935 119.575 118.700 -0.100 0.000 2.313 229 N HA -0.037 4.704 4.740 0.001 0.000 0.207 229 N C -0.759 174.707 175.510 -0.073 0.000 1.141 229 N CA 0.024 53.039 53.050 -0.057 0.000 0.830 229 N CB -0.020 38.451 38.487 -0.028 0.000 1.008 229 N HN 0.168 nan 8.380 nan 0.000 0.481 230 D N 1.034 121.356 120.400 -0.130 0.000 2.412 230 D HA 0.023 4.664 4.640 0.001 0.000 0.257 230 D C -1.573 174.697 176.300 -0.049 0.000 1.217 230 D CA -1.522 52.417 54.000 -0.101 0.000 0.897 230 D CB 1.215 41.924 40.800 -0.151 0.000 1.132 230 D HN 0.088 nan 8.370 nan 0.000 0.493 231 P HA -0.016 nan 4.420 nan 0.000 0.231 231 P C 0.955 178.259 177.300 0.006 0.000 1.158 231 P CA 0.674 63.772 63.100 -0.003 0.000 0.763 231 P CB 0.255 31.957 31.700 0.003 0.000 0.805 232 R N -1.131 119.370 120.500 0.002 0.000 2.200 232 R HA 0.111 4.452 4.340 0.001 0.000 0.208 232 R C 0.802 177.116 176.300 0.023 0.000 1.033 232 R CA 0.031 56.140 56.100 0.015 0.000 1.000 232 R CB -0.446 29.862 30.300 0.014 0.000 0.906 232 R HN 0.248 nan 8.270 nan 0.000 0.462 233 L N 1.549 122.785 121.223 0.022 0.000 2.485 233 L HA -0.039 4.302 4.340 0.001 0.000 0.275 233 L C 1.027 177.926 176.870 0.048 0.000 1.207 233 L CA 0.778 55.647 54.840 0.048 0.000 0.855 233 L CB 0.446 42.542 42.059 0.063 0.000 1.114 233 L HN 0.035 nan 8.230 nan 0.000 0.485 234 K N 0.746 121.179 120.400 0.056 0.000 2.469 234 K HA 0.194 4.515 4.320 0.001 0.000 0.204 234 K C -0.134 176.497 176.600 0.052 0.000 1.047 234 K CA 0.004 56.319 56.287 0.047 0.000 1.072 234 K CB 0.966 33.489 32.500 0.038 0.000 0.863 234 K HN 0.699 nan 8.250 nan 0.000 0.530 235 T N -0.614 113.981 114.554 0.070 0.000 2.749 235 T HA 0.045 4.396 4.350 0.001 0.000 0.310 235 T C -1.999 172.762 174.700 0.102 0.000 1.496 235 T CA -0.768 61.375 62.100 0.072 0.000 1.006 235 T CB 1.612 70.515 68.868 0.058 0.000 1.457 235 T HN 0.045 nan 8.240 nan 0.000 0.497 236 D N 1.377 121.831 120.400 0.091 0.000 2.401 236 D HA 0.153 4.794 4.640 0.001 0.000 0.254 236 D C 0.760 177.151 176.300 0.151 0.000 1.192 236 D CA -0.171 53.899 54.000 0.117 0.000 0.885 236 D CB 0.245 41.093 40.800 0.081 0.000 1.147 236 D HN 0.412 nan 8.370 nan 0.000 0.478 237 F N 4.060 124.039 119.950 0.049 0.000 2.060 237 F HA -0.115 4.413 4.527 0.001 0.000 0.295 237 F C 1.946 177.794 175.800 0.080 0.000 1.120 237 F CA 1.242 59.275 58.000 0.055 0.000 1.205 237 F CB -0.003 39.034 39.000 0.062 0.000 0.986 237 F HN 0.408 nan 8.300 nan 0.000 0.470 238 E N 0.617 120.868 120.200 0.085 0.000 2.068 238 E HA -0.342 4.009 4.350 0.001 0.000 0.207 238 E C 2.191 178.799 176.600 0.014 0.000 1.032 238 E CA 1.920 58.342 56.400 0.037 0.000 0.839 238 E CB -0.962 28.820 29.700 0.137 0.000 0.758 238 E HN 0.649 nan 8.360 nan 0.000 0.457 239 E N 0.412 120.620 120.200 0.014 0.000 2.097 239 E HA -0.212 4.139 4.350 0.001 0.000 0.196 239 E C 2.005 178.594 176.600 -0.019 0.000 1.000 239 E CA 1.259 57.663 56.400 0.007 0.000 0.804 239 E CB -0.070 29.636 29.700 0.010 0.000 0.740 239 E HN 0.209 nan 8.360 nan 0.000 0.454 240 A N 1.549 124.325 122.820 -0.074 0.000 1.902 240 A HA -0.162 4.159 4.320 0.001 0.000 0.217 240 A C 2.269 179.726 177.584 -0.211 0.000 1.181 240 A CA 1.595 53.568 52.037 -0.107 0.000 0.623 240 A CB -0.846 18.112 19.000 -0.069 0.000 0.818 240 A HN 0.573 nan 8.150 nan 0.000 0.443 241 I N -5.051 115.275 120.570 -0.407 0.000 2.546 241 I HA -0.025 4.146 4.170 0.001 0.000 0.255 241 I C 1.926 177.756 176.117 -0.478 0.000 1.163 241 I CA 1.323 62.320 61.300 -0.505 0.000 1.457 241 I CB -0.366 37.179 38.000 -0.758 0.000 1.092 241 I HN 0.111 nan 8.210 nan 0.000 0.434 242 F N 2.308 122.072 119.950 -0.310 0.000 2.710 242 F HA -0.005 4.522 4.527 0.001 0.000 0.298 242 F C 2.705 178.428 175.800 -0.129 0.000 1.137 242 F CA 0.959 58.836 58.000 -0.206 0.000 1.444 242 F CB -0.215 38.655 39.000 -0.217 0.000 1.111 242 F HN 0.199 nan 8.300 nan 0.000 0.580 243 S N 0.680 116.380 115.700 -0.001 0.000 2.584 243 S HA -0.189 4.282 4.470 0.001 0.000 0.240 243 S C 1.748 176.311 174.600 -0.062 0.000 0.975 243 S CA 0.755 58.950 58.200 -0.008 0.000 0.949 243 S CB -0.785 62.402 63.200 -0.022 0.000 0.761 243 S HN 0.623 nan 8.310 nan 0.000 0.536 244 K N 0.305 120.591 120.400 -0.189 0.000 2.062 244 K HA -0.043 4.278 4.320 0.001 0.000 0.205 244 K C -0.156 176.304 176.600 -0.233 0.000 1.051 244 K CA 0.409 56.527 56.287 -0.283 0.000 0.941 244 K CB -0.642 31.558 32.500 -0.501 0.000 0.719 244 K HN 0.460 nan 8.250 nan 0.000 0.440 245 Y N 2.209 122.491 120.300 -0.030 0.000 2.537 245 Y HA 0.051 4.601 4.550 0.001 0.000 0.339 245 Y C 1.125 177.028 175.900 0.005 0.000 1.066 245 Y CA -0.831 57.265 58.100 -0.006 0.000 1.357 245 Y CB 1.045 39.504 38.460 -0.002 0.000 1.175 245 Y HN -0.067 nan 8.280 nan 0.000 0.525 246 V N 0.565 120.566 119.914 0.145 0.000 3.578 246 V HA 0.525 4.645 4.120 0.001 0.000 0.290 246 V C 0.865 177.016 176.094 0.096 0.000 1.376 246 V CA -0.186 62.173 62.300 0.098 0.000 1.083 246 V CB -0.455 31.410 31.823 0.069 0.000 0.911 246 V HN 1.078 nan 8.190 nan 0.000 0.433 247 G N 1.669 110.539 108.800 0.116 0.000 2.825 247 G HA2 -0.252 3.708 3.960 0.001 0.000 0.686 247 G HA3 -0.252 3.708 3.960 0.001 0.000 0.686 247 G C -0.366 174.585 174.900 0.086 0.000 1.362 247 G CA 0.001 45.155 45.100 0.090 0.000 0.975 247 G HN 0.803 nan 8.290 nan 0.000 0.594 248 N N 0.721 119.470 118.700 0.082 0.000 2.030 248 N HA 0.023 4.764 4.740 0.001 0.000 0.292 248 N C 1.245 176.794 175.510 0.064 0.000 1.315 248 N CA 0.797 53.896 53.050 0.080 0.000 0.810 248 N CB 0.476 39.000 38.487 0.061 0.000 1.048 248 N HN 0.675 nan 8.380 nan 0.000 0.492 249 K N 3.388 123.831 120.400 0.072 0.000 2.276 249 K HA 0.202 4.523 4.320 0.001 0.000 0.198 249 K C 0.151 176.758 176.600 0.012 0.000 1.052 249 K CA 0.672 56.988 56.287 0.048 0.000 0.984 249 K CB 0.471 33.015 32.500 0.073 0.000 0.836 249 K HN 0.679 nan 8.250 nan 0.000 0.490 250 I N -3.599 116.976 120.570 0.008 0.000 2.894 250 I HA 0.411 4.582 4.170 0.001 0.000 0.302 250 I C -0.232 175.867 176.117 -0.031 0.000 1.188 250 I CA -0.840 60.436 61.300 -0.040 0.000 1.014 250 I CB 2.374 40.312 38.000 -0.104 0.000 1.242 250 I HN -0.257 nan 8.210 nan 0.000 0.430 251 T N 0.675 115.205 114.554 -0.041 0.000 3.056 251 T HA 0.198 4.549 4.350 0.001 0.000 0.243 251 T C 0.388 175.061 174.700 -0.045 0.000 0.995 251 T CA 0.349 62.434 62.100 -0.027 0.000 1.091 251 T CB 0.050 68.908 68.868 -0.016 0.000 0.990 251 T HN 0.620 nan 8.240 nan 0.000 0.464 252 E N 1.720 121.884 120.200 -0.059 0.000 2.283 252 E HA 0.408 4.759 4.350 0.001 0.000 0.278 252 E C -1.022 175.523 176.600 -0.090 0.000 1.027 252 E CA -0.406 55.959 56.400 -0.059 0.000 0.843 252 E CB 1.873 31.546 29.700 -0.045 0.000 1.062 252 E HN -0.016 nan 8.360 nan 0.000 0.401 253 V N 4.514 124.382 119.914 -0.076 0.000 2.405 253 V HA -0.018 4.103 4.120 0.001 0.000 0.264 253 V C 0.169 176.239 176.094 -0.040 0.000 1.048 253 V CA -0.237 62.009 62.300 -0.089 0.000 0.966 253 V CB -0.032 31.760 31.823 -0.053 0.000 1.015 253 V HN 0.677 nan 8.190 nan 0.000 0.477 254 D N 3.251 123.647 120.400 -0.007 0.000 2.451 254 D HA 0.108 4.749 4.640 0.001 0.000 0.259 254 D C 1.235 177.540 176.300 0.009 0.000 1.201 254 D CA -0.367 53.650 54.000 0.028 0.000 1.028 254 D CB 0.631 41.496 40.800 0.109 0.000 1.095 254 D HN 0.610 nan 8.370 nan 0.000 0.539 255 E N -0.598 119.548 120.200 -0.091 0.000 2.097 255 E HA -0.332 4.019 4.350 0.001 0.000 0.196 255 E C 1.813 178.303 176.600 -0.184 0.000 1.000 255 E CA 1.295 57.577 56.400 -0.196 0.000 0.804 255 E CB -0.857 28.629 29.700 -0.357 0.000 0.740 255 E HN 0.610 nan 8.360 nan 0.000 0.454 256 Y N 0.991 121.339 120.300 0.080 0.000 2.128 256 Y HA -0.188 4.363 4.550 0.001 0.000 0.284 256 Y C 2.697 178.642 175.900 0.076 0.000 1.154 256 Y CA 1.656 59.805 58.100 0.081 0.000 1.149 256 Y CB -0.418 38.107 38.460 0.108 0.000 0.976 256 Y HN -0.018 nan 8.280 nan 0.000 0.505 257 M N 0.117 119.849 119.600 0.219 0.000 2.086 257 M HA -0.242 4.239 4.480 0.001 0.000 0.261 257 M C 2.057 178.434 176.300 0.129 0.000 1.067 257 M CA 1.816 57.204 55.300 0.147 0.000 1.116 257 M CB -0.435 32.160 32.600 -0.007 0.000 1.348 257 M HN 0.105 nan 8.290 nan 0.000 0.407 258 K N 0.105 120.552 120.400 0.078 0.000 2.113 258 K HA -0.233 4.088 4.320 0.001 0.000 0.208 258 K C 1.920 178.577 176.600 0.095 0.000 1.047 258 K CA 1.688 58.018 56.287 0.072 0.000 0.928 258 K CB -0.213 32.307 32.500 0.033 0.000 0.716 258 K HN 0.372 nan 8.250 nan 0.000 0.446 259 E N 0.260 120.515 120.200 0.091 0.000 2.230 259 E HA -0.052 4.299 4.350 0.001 0.000 0.192 259 E C 1.792 178.491 176.600 0.165 0.000 0.987 259 E CA 0.624 57.090 56.400 0.111 0.000 0.841 259 E CB 0.108 29.856 29.700 0.080 0.000 0.783 259 E HN 0.315 nan 8.360 nan 0.000 0.481 260 A N 0.302 123.229 122.820 0.178 0.000 1.898 260 A HA -0.122 4.199 4.320 0.001 0.000 0.216 260 A C 2.332 180.071 177.584 0.260 0.000 1.181 260 A CA 1.333 53.494 52.037 0.206 0.000 0.620 260 A CB -0.711 18.409 19.000 0.201 0.000 0.819 260 A HN 0.198 nan 8.150 nan 0.000 0.442 261 V N 0.831 120.883 119.914 0.230 0.000 2.220 261 V HA -0.315 3.805 4.120 0.001 0.000 0.246 261 V C 2.286 178.509 176.094 0.215 0.000 1.049 261 V CA 2.482 64.923 62.300 0.235 0.000 1.003 261 V CB -0.981 30.950 31.823 0.179 0.000 0.634 261 V HN 0.520 nan 8.190 nan 0.000 0.444 262 D N -1.065 119.436 120.400 0.169 0.000 2.154 262 D HA -0.239 4.402 4.640 0.001 0.000 0.190 262 D C 2.076 178.467 176.300 0.152 0.000 1.003 262 D CA 1.971 56.053 54.000 0.136 0.000 0.849 262 D CB -0.526 40.343 40.800 0.115 0.000 0.942 262 D HN 0.605 nan 8.370 nan 0.000 0.446 263 H N -0.769 118.373 119.070 0.120 0.000 2.270 263 H HA -0.185 4.372 4.556 0.001 0.000 0.299 263 H C 2.219 177.637 175.328 0.150 0.000 1.077 263 H CA 1.615 57.735 56.048 0.119 0.000 1.294 263 H CB -0.470 29.370 29.762 0.130 0.000 1.371 263 H HN 0.192 nan 8.280 nan 0.000 0.491 264 Y N 1.221 121.633 120.300 0.187 0.000 2.181 264 Y HA -0.144 4.406 4.550 0.001 0.000 0.288 264 Y C 2.713 178.636 175.900 0.038 0.000 1.146 264 Y CA 1.799 59.968 58.100 0.114 0.000 1.164 264 Y CB -0.831 37.734 38.460 0.174 0.000 0.982 264 Y HN 0.294 nan 8.280 nan 0.000 0.515 265 A N 0.194 122.994 122.820 -0.033 0.000 1.933 265 A HA -0.104 4.216 4.320 0.001 0.000 0.218 265 A C 2.533 180.035 177.584 -0.136 0.000 1.175 265 A CA 1.711 53.679 52.037 -0.115 0.000 0.628 265 A CB -1.724 17.289 19.000 0.022 0.000 0.814 265 A HN 0.601 nan 8.150 nan 0.000 0.444 266 G N -0.767 107.972 108.800 -0.102 0.000 2.514 266 G HA2 -0.323 3.637 3.960 0.001 0.000 0.217 266 G HA3 -0.323 3.637 3.960 0.001 0.000 0.217 266 G C 1.596 176.387 174.900 -0.181 0.000 1.198 266 G CA 1.117 46.140 45.100 -0.128 0.000 0.780 266 G HN 0.623 nan 8.290 nan 0.000 0.565 267 Q N -0.210 119.434 119.800 -0.259 0.000 2.112 267 Q HA -0.044 4.297 4.340 0.001 0.000 0.206 267 Q C 2.676 178.554 176.000 -0.203 0.000 0.987 267 Q CA 1.093 56.763 55.803 -0.223 0.000 0.858 267 Q CB -0.328 28.306 28.738 -0.174 0.000 0.905 267 Q HN 0.480 nan 8.270 nan 0.000 0.420 268 L N 0.091 121.146 121.223 -0.280 0.000 2.447 268 L HA -0.167 4.174 4.340 0.001 0.000 0.225 268 L C 2.220 179.011 176.870 -0.132 0.000 1.148 268 L CA 0.543 55.236 54.840 -0.245 0.000 0.808 268 L CB -0.353 41.531 42.059 -0.291 0.000 0.928 268 L HN 0.360 nan 8.230 nan 0.000 0.448 269 M N -0.896 118.642 119.600 -0.103 0.000 2.419 269 M HA -0.071 4.409 4.480 0.001 0.000 0.264 269 M C 2.504 178.775 176.300 -0.048 0.000 1.082 269 M CA 1.260 56.529 55.300 -0.051 0.000 1.119 269 M CB -0.361 32.217 32.600 -0.037 0.000 1.398 269 M HN 0.366 nan 8.290 nan 0.000 0.453 270 S N 1.080 116.741 115.700 -0.066 0.000 2.442 270 S HA -0.076 4.395 4.470 0.001 0.000 0.236 270 S C 1.756 176.327 174.600 -0.049 0.000 1.007 270 S CA 0.855 59.024 58.200 -0.053 0.000 0.965 270 S CB -0.853 62.313 63.200 -0.057 0.000 0.773 270 S HN 0.474 nan 8.310 nan 0.000 0.504 271 L N 1.318 122.501 121.223 -0.066 0.000 2.275 271 L HA 0.012 4.353 4.340 0.001 0.000 0.215 271 L C 0.880 177.736 176.870 -0.024 0.000 1.119 271 L CA 0.797 55.600 54.840 -0.062 0.000 0.790 271 L CB -0.952 41.044 42.059 -0.106 0.000 0.919 271 L HN 0.288 nan 8.230 nan 0.000 0.443 272 D N 0.932 121.327 120.400 -0.009 0.000 2.737 272 D HA -0.224 4.417 4.640 0.001 0.000 0.238 272 D C 0.032 176.357 176.300 0.042 0.000 1.157 272 D CA 0.329 54.339 54.000 0.016 0.000 0.694 272 D CB -0.926 39.879 40.800 0.009 0.000 1.021 272 D HN 0.195 nan 8.370 nan 0.000 0.420 273 I N 0.834 121.448 120.570 0.073 0.000 2.648 273 I HA -0.055 4.116 4.170 0.001 0.000 0.284 273 I C 1.549 177.758 176.117 0.153 0.000 1.153 273 I CA 0.063 61.441 61.300 0.131 0.000 1.426 273 I CB 0.412 38.526 38.000 0.190 0.000 1.381 273 I HN 0.268 nan 8.210 nan 0.000 0.571 274 N N 5.228 124.009 118.700 0.135 0.000 2.406 274 N HA -0.034 4.707 4.740 0.001 0.000 0.269 274 N C 1.032 176.589 175.510 0.078 0.000 1.210 274 N CA -0.254 52.847 53.050 0.086 0.000 0.966 274 N CB 0.594 39.120 38.487 0.065 0.000 1.293 274 N HN 0.742 nan 8.380 nan 0.000 0.491 275 T N -0.094 114.436 114.554 -0.041 0.000 3.427 275 T HA 0.009 4.360 4.350 0.001 0.000 0.256 275 T C 0.531 174.986 174.700 -0.408 0.000 1.172 275 T CA 0.415 62.274 62.100 -0.402 0.000 1.018 275 T CB -0.057 68.586 68.868 -0.374 0.000 0.981 275 T HN 0.507 nan 8.240 nan 0.000 0.555 276 E N 0.690 120.783 120.200 -0.178 0.000 2.602 276 E HA 0.319 4.670 4.350 0.001 0.000 0.255 276 E C 0.040 176.570 176.600 -0.117 0.000 1.268 276 E CA -0.742 55.575 56.400 -0.139 0.000 1.007 276 E CB 0.601 30.263 29.700 -0.064 0.000 1.208 276 E HN 0.387 nan 8.360 nan 0.000 0.584 277 Q N 0.537 120.288 119.800 -0.081 0.000 2.212 277 Q HA 0.378 4.719 4.340 0.001 0.000 0.238 277 Q C -1.029 174.959 176.000 -0.021 0.000 0.955 277 Q CA -0.421 55.345 55.803 -0.061 0.000 0.906 277 Q CB 1.204 29.905 28.738 -0.062 0.000 1.215 277 Q HN 0.395 nan 8.270 nan 0.000 0.478 278 M N 2.723 122.317 119.600 -0.010 0.000 2.268 278 M HA 0.337 4.818 4.480 0.001 0.000 0.344 278 M C -0.631 175.679 176.300 0.017 0.000 1.106 278 M CA -0.840 54.471 55.300 0.018 0.000 1.010 278 M CB 0.615 33.239 32.600 0.040 0.000 1.649 278 M HN 0.942 nan 8.290 nan 0.000 0.443 279 C N 3.744 123.061 119.300 0.027 0.000 2.702 279 C HA 0.065 4.526 4.460 0.001 0.000 0.411 279 C C 1.755 176.769 174.990 0.040 0.000 1.286 279 C CA -0.858 58.178 59.018 0.031 0.000 1.979 279 C CB -0.336 27.426 27.740 0.037 0.000 2.728 279 C HN 1.112 nan 8.230 nan 0.000 0.652 280 L N 1.613 122.859 121.223 0.039 0.000 1.978 280 L HA -0.173 4.168 4.340 0.001 0.000 0.218 280 L C 2.676 179.584 176.870 0.064 0.000 1.075 280 L CA 2.654 57.519 54.840 0.042 0.000 0.767 280 L CB -1.229 40.857 42.059 0.045 0.000 0.890 280 L HN 0.990 nan 8.230 nan 0.000 0.434 281 E N -0.894 119.373 120.200 0.112 0.000 2.049 281 E HA -0.299 4.052 4.350 0.001 0.000 0.198 281 E C 1.807 178.525 176.600 0.197 0.000 1.007 281 E CA 1.905 58.437 56.400 0.219 0.000 0.809 281 E CB -0.157 29.655 29.700 0.187 0.000 0.749 281 E HN 0.605 nan 8.360 nan 0.000 0.450 282 D N -0.016 120.459 120.400 0.125 0.000 2.117 282 D HA -0.137 4.504 4.640 0.001 0.000 0.197 282 D C 1.811 178.161 176.300 0.084 0.000 0.987 282 D CA 1.421 55.486 54.000 0.108 0.000 0.829 282 D CB -0.433 40.418 40.800 0.085 0.000 0.961 282 D HN 0.333 nan 8.370 nan 0.000 0.460 283 A N 0.085 122.941 122.820 0.061 0.000 1.972 283 A HA -0.145 4.176 4.320 0.001 0.000 0.219 283 A C 2.189 179.769 177.584 -0.007 0.000 1.169 283 A CA 1.269 53.333 52.037 0.045 0.000 0.635 283 A CB -0.367 18.653 19.000 0.033 0.000 0.810 283 A HN 0.164 nan 8.150 nan 0.000 0.446 284 M N -2.686 116.871 119.600 -0.071 0.000 2.257 284 M HA 0.051 4.532 4.480 0.001 0.000 0.260 284 M C 1.421 177.511 176.300 -0.349 0.000 1.102 284 M CA 1.238 56.368 55.300 -0.284 0.000 1.169 284 M CB -0.149 32.135 32.600 -0.527 0.000 1.323 284 M HN 0.460 nan 8.290 nan 0.000 0.447 285 Y N 0.683 120.997 120.300 0.023 0.000 2.461 285 Y HA 0.359 4.910 4.550 0.001 0.000 0.277 285 Y C 1.112 177.025 175.900 0.022 0.000 1.182 285 Y CA 0.029 58.140 58.100 0.018 0.000 1.276 285 Y CB -0.386 38.083 38.460 0.015 0.000 1.087 285 Y HN 0.401 nan 8.280 nan 0.000 0.519 286 G N 0.315 109.188 108.800 0.122 0.000 2.733 286 G HA2 -0.009 3.952 3.960 0.001 0.000 0.686 286 G HA3 -0.009 3.952 3.960 0.001 0.000 0.686 286 G C -0.422 174.538 174.900 0.101 0.000 1.373 286 G CA -0.113 45.045 45.100 0.096 0.000 0.838 286 G HN 0.333 nan 8.290 nan 0.000 0.588 287 T N -0.893 113.713 114.554 0.086 0.000 2.612 287 T HA 0.529 4.880 4.350 0.001 0.000 0.296 287 T C -1.026 173.717 174.700 0.072 0.000 1.148 287 T CA 0.646 62.793 62.100 0.078 0.000 1.077 287 T CB 1.417 70.334 68.868 0.080 0.000 1.591 287 T HN 1.142 nan 8.240 nan 0.000 0.479 288 D N -0.346 120.095 120.400 0.068 0.000 2.358 288 D HA 0.463 5.104 4.640 0.001 0.000 0.258 288 D C 1.236 177.590 176.300 0.089 0.000 1.223 288 D CA 1.875 55.915 54.000 0.065 0.000 0.886 288 D CB -0.136 40.697 40.800 0.055 0.000 1.120 288 D HN 1.056 nan 8.370 nan 0.000 0.482 289 G N 2.888 111.745 108.800 0.094 0.000 2.175 289 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 289 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 289 G C -0.163 174.866 174.900 0.216 0.000 0.982 289 G CA 0.207 45.396 45.100 0.148 0.000 0.641 289 G HN 0.655 nan 8.290 nan 0.000 0.527 290 L N 1.190 122.499 121.223 0.143 0.000 2.482 290 L HA 0.629 4.970 4.340 0.001 0.000 0.269 290 L C -0.079 176.828 176.870 0.062 0.000 0.967 290 L CA -0.877 54.050 54.840 0.145 0.000 0.851 290 L CB 1.359 43.531 42.059 0.189 0.000 1.242 290 L HN 0.225 nan 8.230 nan 0.000 0.404 291 E N 2.575 122.775 120.200 -0.000 0.000 2.390 291 E HA 0.539 4.889 4.350 0.001 0.000 0.261 291 E C -0.056 176.551 176.600 0.012 0.000 1.076 291 E CA -0.176 56.219 56.400 -0.008 0.000 0.905 291 E CB 0.990 30.660 29.700 -0.051 0.000 0.984 291 E HN 0.789 nan 8.360 nan 0.000 0.427 292 A N 2.298 125.130 122.820 0.019 0.000 2.366 292 A HA 0.123 4.444 4.320 0.001 0.000 0.250 292 A C 0.098 177.670 177.584 -0.020 0.000 1.099 292 A CA -0.365 51.678 52.037 0.011 0.000 0.794 292 A CB 0.037 19.062 19.000 0.041 0.000 1.056 292 A HN 0.586 nan 8.150 nan 0.000 0.499 293 L N 0.929 122.119 121.223 -0.055 0.000 2.593 293 L HA -0.060 4.281 4.340 0.001 0.000 0.287 293 L C 0.519 177.367 176.870 -0.036 0.000 1.243 293 L CA 0.099 54.906 54.840 -0.056 0.000 0.890 293 L CB -0.032 41.967 42.059 -0.099 0.000 1.134 293 L HN 0.702 nan 8.230 nan 0.000 0.502 294 D N 3.411 123.797 120.400 -0.025 0.000 2.371 294 D HA 0.068 4.709 4.640 0.001 0.000 0.256 294 D C 0.763 177.056 176.300 -0.012 0.000 1.193 294 D CA 0.166 54.157 54.000 -0.015 0.000 0.881 294 D CB 1.000 41.794 40.800 -0.010 0.000 1.143 294 D HN 0.360 nan 8.370 nan 0.000 0.473 295 L N 2.908 124.125 121.223 -0.009 0.000 2.418 295 L HA -0.068 4.272 4.340 0.001 0.000 0.218 295 L C 2.336 179.205 176.870 -0.001 0.000 1.125 295 L CA 0.322 55.158 54.840 -0.008 0.000 0.835 295 L CB -0.331 41.726 42.059 -0.003 0.000 0.953 295 L HN 0.399 nan 8.230 nan 0.000 0.454 296 S N -0.592 115.108 115.700 0.000 0.000 2.349 296 S HA -0.138 4.333 4.470 0.001 0.000 0.216 296 S C 1.390 175.996 174.600 0.010 0.000 1.033 296 S CA 0.810 59.011 58.200 0.001 0.000 1.021 296 S CB -1.306 61.892 63.200 -0.003 0.000 0.968 296 S HN 0.518 nan 8.310 nan 0.000 0.426 297 T N 1.288 115.854 114.554 0.019 0.000 2.769 297 T HA 0.116 4.467 4.350 0.001 0.000 0.353 297 T C 0.337 175.078 174.700 0.068 0.000 1.081 297 T CA 0.224 62.351 62.100 0.047 0.000 1.118 297 T CB -0.227 68.672 68.868 0.052 0.000 1.042 297 T HN 0.476 nan 8.240 nan 0.000 0.541 298 S N 0.269 116.045 115.700 0.126 0.000 2.589 298 S HA 0.449 4.920 4.470 0.001 0.000 0.265 298 S C 1.476 176.147 174.600 0.119 0.000 1.342 298 S CA -0.280 58.021 58.200 0.168 0.000 1.005 298 S CB 0.029 63.419 63.200 0.317 0.000 0.909 298 S HN 1.108 nan 8.310 nan 0.000 0.555 299 A N 2.538 125.429 122.820 0.119 0.000 2.132 299 A HA 0.522 4.843 4.320 0.001 0.000 0.213 299 A C 1.382 179.080 177.584 0.190 0.000 1.154 299 A CA 0.856 52.949 52.037 0.093 0.000 0.753 299 A CB -1.465 17.569 19.000 0.057 0.000 0.826 299 A HN 1.977 nan 8.150 nan 0.000 0.469 300 G N -1.398 107.510 108.800 0.179 0.000 2.645 300 G HA2 -0.231 3.730 3.960 0.001 0.000 0.239 300 G HA3 -0.231 3.730 3.960 0.001 0.000 0.239 300 G C -0.176 174.829 174.900 0.176 0.000 1.331 300 G CA 0.005 45.206 45.100 0.169 0.000 0.890 300 G HN 1.179 nan 8.290 nan 0.000 0.572 301 Y N 2.488 122.791 120.300 0.004 0.000 2.299 301 Y HA 0.557 5.108 4.550 0.001 0.000 0.326 301 Y C -1.219 174.537 175.900 -0.239 0.000 1.164 301 Y CA -1.427 56.616 58.100 -0.095 0.000 1.234 301 Y CB 2.069 40.473 38.460 -0.094 0.000 1.219 301 Y HN 0.323 nan 8.280 nan 0.000 0.497 302 P HA 0.080 nan 4.420 nan 0.000 0.258 302 P C 0.013 176.847 177.300 -0.778 0.000 1.416 302 P CA 0.560 62.827 63.100 -1.387 0.000 0.927 302 P CB -0.249 30.509 31.700 -1.571 0.000 1.444 303 Y N -0.799 119.310 120.300 -0.319 0.000 2.421 303 Y HA -0.115 4.435 4.550 0.001 0.000 0.292 303 Y C 2.482 178.326 175.900 -0.094 0.000 1.136 303 Y CA 0.476 58.462 58.100 -0.189 0.000 1.255 303 Y CB -0.640 37.746 38.460 -0.123 0.000 0.991 303 Y HN -0.089 nan 8.280 nan 0.000 0.552 304 V N -0.068 119.881 119.914 0.058 0.000 2.346 304 V HA -0.161 3.960 4.120 0.001 0.000 0.244 304 V C 2.238 178.355 176.094 0.039 0.000 1.037 304 V CA 1.784 64.131 62.300 0.077 0.000 1.029 304 V CB -0.566 31.318 31.823 0.100 0.000 0.663 304 V HN 0.338 nan 8.190 nan 0.000 0.454 305 A N -0.501 122.315 122.820 -0.006 0.000 2.067 305 A HA -0.055 4.266 4.320 0.001 0.000 0.219 305 A C 2.060 179.631 177.584 -0.022 0.000 1.158 305 A CA 1.909 53.945 52.037 -0.002 0.000 0.661 305 A CB -0.466 18.535 19.000 0.002 0.000 0.801 305 A HN 0.618 nan 8.150 nan 0.000 0.452 306 M N -1.075 118.494 119.600 -0.053 0.000 2.428 306 M HA 0.196 4.677 4.480 0.001 0.000 0.239 306 M C 1.037 177.347 176.300 0.016 0.000 1.121 306 M CA 0.577 55.858 55.300 -0.031 0.000 1.019 306 M CB 0.249 32.807 32.600 -0.071 0.000 1.485 306 M HN 0.513 nan 8.290 nan 0.000 0.484 307 G N 3.193 112.012 108.800 0.032 0.000 2.374 307 G HA2 -0.270 3.691 3.960 0.001 0.000 0.289 307 G HA3 -0.270 3.691 3.960 0.001 0.000 0.289 307 G C -0.337 174.594 174.900 0.053 0.000 1.004 307 G CA 0.250 45.378 45.100 0.046 0.000 1.292 307 G HN 0.491 nan 8.290 nan 0.000 0.502 308 K N 0.250 120.692 120.400 0.071 0.000 2.687 308 K HA 0.426 4.747 4.320 0.001 0.000 0.249 308 K C 0.314 176.936 176.600 0.036 0.000 0.994 308 K CA -0.978 55.346 56.287 0.061 0.000 0.913 308 K CB 0.851 33.407 32.500 0.093 0.000 1.202 308 K HN 0.172 nan 8.250 nan 0.000 0.460 309 K N 1.750 122.159 120.400 0.015 0.000 2.120 309 K HA 0.179 4.500 4.320 0.001 0.000 0.245 309 K C 0.797 177.367 176.600 -0.050 0.000 1.024 309 K CA -0.165 56.120 56.287 -0.004 0.000 0.906 309 K CB 0.494 32.998 32.500 0.007 0.000 1.051 309 K HN 0.375 nan 8.250 nan 0.000 0.491 310 K N 0.849 121.215 120.400 -0.056 0.000 2.217 310 K HA -0.070 4.251 4.320 0.001 0.000 0.202 310 K C 1.744 178.313 176.600 -0.052 0.000 1.051 310 K CA 1.109 57.345 56.287 -0.085 0.000 0.952 310 K CB 0.005 32.462 32.500 -0.072 0.000 0.736 310 K HN 0.319 nan 8.250 nan 0.000 0.453 311 R N 1.174 121.660 120.500 -0.022 0.000 2.081 311 R HA -0.112 4.229 4.340 0.001 0.000 0.235 311 R C 1.345 177.648 176.300 0.005 0.000 1.131 311 R CA 1.469 57.569 56.100 -0.001 0.000 0.960 311 R CB -0.286 30.017 30.300 0.007 0.000 0.856 311 R HN 0.220 nan 8.270 nan 0.000 0.436 312 D N 0.191 120.589 120.400 -0.003 0.000 2.378 312 D HA -0.063 4.578 4.640 0.001 0.000 0.222 312 D C 1.601 177.903 176.300 0.002 0.000 0.980 312 D CA 0.934 54.937 54.000 0.005 0.000 0.907 312 D CB 0.125 40.929 40.800 0.006 0.000 0.899 312 D HN 0.350 nan 8.370 nan 0.000 0.527 313 I N -0.433 120.127 120.570 -0.017 0.000 3.445 313 I HA 0.035 4.206 4.170 0.001 0.000 0.288 313 I C 0.735 176.868 176.117 0.028 0.000 1.198 313 I CA 0.142 61.431 61.300 -0.020 0.000 1.417 313 I CB 0.515 38.457 38.000 -0.097 0.000 1.205 313 I HN -0.198 nan 8.210 nan 0.000 0.448 314 L N 1.261 122.507 121.223 0.040 0.000 2.307 314 L HA 0.287 4.627 4.340 0.001 0.000 0.282 314 L C -0.143 176.855 176.870 0.213 0.000 1.051 314 L CA -0.029 54.901 54.840 0.151 0.000 0.804 314 L CB 0.884 42.984 42.059 0.069 0.000 1.197 314 L HN 0.116 nan 8.230 nan 0.000 0.431 315 N N 2.651 121.541 118.700 0.315 0.000 3.170 315 N HA 0.041 4.782 4.740 0.001 0.000 0.305 315 N C 0.822 176.338 175.510 0.011 0.000 1.499 315 N CA -0.286 52.826 53.050 0.103 0.000 1.110 315 N CB 0.467 38.956 38.487 0.003 0.000 1.390 315 N HN 0.587 nan 8.380 nan 0.000 0.508 316 K N 0.236 120.723 120.400 0.145 0.000 2.728 316 K HA -0.395 3.926 4.320 0.001 0.000 0.202 316 K C 1.450 178.027 176.600 -0.038 0.000 0.892 316 K CA 1.937 58.287 56.287 0.105 0.000 0.885 316 K CB -0.383 32.161 32.500 0.073 0.000 1.360 316 K HN 0.384 nan 8.250 nan 0.000 0.539 317 Q N 0.073 119.827 119.800 -0.076 0.000 2.316 317 Q HA 0.101 4.442 4.340 0.001 0.000 0.235 317 Q C 1.455 177.366 176.000 -0.149 0.000 0.863 317 Q CA 1.145 56.889 55.803 -0.098 0.000 0.939 317 Q CB 0.179 28.889 28.738 -0.047 0.000 1.108 317 Q HN 0.409 nan 8.270 nan 0.000 0.522 318 T N 1.571 116.024 114.554 -0.169 0.000 2.857 318 T HA 0.066 4.417 4.350 0.001 0.000 0.266 318 T C 0.134 174.662 174.700 -0.287 0.000 1.048 318 T CA 0.731 62.731 62.100 -0.165 0.000 1.139 318 T CB -0.147 68.657 68.868 -0.107 0.000 0.874 318 T HN 0.430 nan 8.240 nan 0.000 0.455 319 R N 1.850 121.995 120.500 -0.591 0.000 3.209 319 R HA -0.122 4.219 4.340 0.001 0.000 0.252 319 R C -1.064 174.899 176.300 -0.561 0.000 0.958 319 R CA 0.220 55.600 56.100 -1.200 0.000 0.651 319 R CB -1.742 28.127 30.300 -0.719 0.000 1.142 319 R HN 0.410 nan 8.270 nan 0.000 0.441 320 D N 0.399 120.643 120.400 -0.261 0.000 2.249 320 D HA 0.163 4.804 4.640 0.001 0.000 0.246 320 D C 1.215 177.661 176.300 0.243 0.000 1.114 320 D CA 0.288 54.308 54.000 0.033 0.000 0.854 320 D CB 1.296 42.114 40.800 0.030 0.000 1.132 320 D HN 0.270 nan 8.370 nan 0.000 0.461 321 T N 0.817 115.480 114.554 0.182 0.000 3.042 321 T HA 0.040 4.391 4.350 0.001 0.000 0.245 321 T C 1.677 176.436 174.700 0.098 0.000 1.029 321 T CA 0.128 62.329 62.100 0.169 0.000 1.120 321 T CB -0.035 68.918 68.868 0.142 0.000 0.917 321 T HN 0.352 nan 8.240 nan 0.000 0.467 322 K N 1.128 121.573 120.400 0.075 0.000 2.108 322 K HA -0.340 3.981 4.320 0.001 0.000 0.219 322 K C 2.223 178.858 176.600 0.059 0.000 1.054 322 K CA 2.408 58.728 56.287 0.056 0.000 0.945 322 K CB -0.365 32.162 32.500 0.044 0.000 0.728 322 K HN 0.453 nan 8.250 nan 0.000 0.462 323 E N 0.884 121.123 120.200 0.063 0.000 2.033 323 E HA -0.204 4.147 4.350 0.001 0.000 0.199 323 E C 1.946 178.582 176.600 0.061 0.000 1.011 323 E CA 1.660 58.096 56.400 0.061 0.000 0.815 323 E CB -0.165 29.570 29.700 0.057 0.000 0.755 323 E HN 0.136 nan 8.360 nan 0.000 0.451 324 M N 0.100 119.730 119.600 0.049 0.000 2.159 324 M HA -0.154 4.327 4.480 0.001 0.000 0.263 324 M C 2.267 178.604 176.300 0.062 0.000 1.063 324 M CA 1.736 57.057 55.300 0.035 0.000 1.110 324 M CB -0.852 31.750 32.600 0.002 0.000 1.374 324 M HN 0.249 nan 8.290 nan 0.000 0.411 325 Q N 0.562 120.398 119.800 0.060 0.000 2.020 325 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 325 Q C 1.942 177.980 176.000 0.064 0.000 0.982 325 Q CA 2.101 57.939 55.803 0.058 0.000 0.838 325 Q CB -0.314 28.453 28.738 0.049 0.000 0.899 325 Q HN 0.388 nan 8.270 nan 0.000 0.423 326 K N -0.544 119.893 120.400 0.063 0.000 2.160 326 K HA -0.147 4.174 4.320 0.001 0.000 0.206 326 K C 1.939 178.590 176.600 0.085 0.000 1.047 326 K CA 1.241 57.562 56.287 0.057 0.000 0.930 326 K CB -0.147 32.385 32.500 0.053 0.000 0.720 326 K HN 0.272 nan 8.250 nan 0.000 0.450 327 L N 0.379 121.691 121.223 0.149 0.000 2.044 327 L HA -0.171 4.170 4.340 0.001 0.000 0.205 327 L C 2.263 179.288 176.870 0.258 0.000 1.075 327 L CA 0.961 55.974 54.840 0.289 0.000 0.747 327 L CB -0.362 41.907 42.059 0.350 0.000 0.903 327 L HN 0.192 nan 8.230 nan 0.000 0.435 328 L N -0.293 121.034 121.223 0.174 0.000 2.127 328 L HA -0.232 4.108 4.340 0.001 0.000 0.211 328 L C 2.008 178.928 176.870 0.084 0.000 1.089 328 L CA 0.947 55.869 54.840 0.137 0.000 0.757 328 L CB -0.565 41.552 42.059 0.096 0.000 0.899 328 L HN 0.314 nan 8.230 nan 0.000 0.434 329 D N -1.198 119.231 120.400 0.049 0.000 2.194 329 D HA -0.092 4.549 4.640 0.001 0.000 0.204 329 D C 2.143 178.418 176.300 -0.041 0.000 0.964 329 D CA 1.145 55.150 54.000 0.009 0.000 0.846 329 D CB -0.065 40.736 40.800 0.002 0.000 0.962 329 D HN 0.228 nan 8.370 nan 0.000 0.490 330 T N -0.264 114.234 114.554 -0.093 0.000 2.684 330 T HA -0.087 4.264 4.350 0.001 0.000 0.253 330 T C 1.493 175.970 174.700 -0.371 0.000 1.057 330 T CA 0.817 62.723 62.100 -0.323 0.000 1.162 330 T CB -0.507 67.997 68.868 -0.607 0.000 0.868 330 T HN 0.190 nan 8.240 nan 0.000 0.409 331 Y N 1.545 121.864 120.300 0.032 0.000 2.490 331 Y HA 0.380 4.931 4.550 0.001 0.000 0.281 331 Y C 1.845 177.778 175.900 0.054 0.000 1.174 331 Y CA -0.241 57.871 58.100 0.021 0.000 1.295 331 Y CB -0.726 37.708 38.460 -0.044 0.000 1.062 331 Y HN 0.466 nan 8.280 nan 0.000 0.522 332 G N 1.907 110.792 108.800 0.142 0.000 2.578 332 G HA2 -0.328 3.633 3.960 0.001 0.000 0.284 332 G HA3 -0.328 3.633 3.960 0.001 0.000 0.284 332 G C -0.017 174.963 174.900 0.132 0.000 1.283 332 G CA 0.455 45.621 45.100 0.110 0.000 0.944 332 G HN 0.490 nan 8.290 nan 0.000 0.558 333 I N -4.039 116.587 120.570 0.094 0.000 3.580 333 I HA 0.827 4.998 4.170 0.001 0.000 0.296 333 I C 0.538 176.683 176.117 0.046 0.000 1.146 333 I CA -0.270 61.070 61.300 0.066 0.000 1.051 333 I CB 1.754 39.774 38.000 0.034 0.000 1.364 333 I HN 1.147 nan 8.210 nan 0.000 0.482 334 N N 0.474 119.148 118.700 -0.044 0.000 2.746 334 N HA -0.137 4.604 4.740 0.001 0.000 0.250 334 N C -1.569 174.038 175.510 0.161 0.000 1.055 334 N CA 0.555 53.624 53.050 0.032 0.000 0.699 334 N CB -1.182 37.331 38.487 0.044 0.000 0.919 334 N HN 0.605 nan 8.380 nan 0.000 0.548 335 L N 0.345 121.681 121.223 0.188 0.000 2.360 335 L HA 0.641 4.982 4.340 0.001 0.000 0.271 335 L C -1.431 175.502 176.870 0.105 0.000 1.057 335 L CA -1.963 52.992 54.840 0.191 0.000 0.803 335 L CB 0.928 43.140 42.059 0.255 0.000 1.207 335 L HN 0.076 nan 8.230 nan 0.000 0.445 336 P HA 0.033 nan 4.420 nan 0.000 0.268 336 P C -1.058 176.119 177.300 -0.206 0.000 1.208 336 P CA 0.073 62.984 63.100 -0.315 0.000 0.777 336 P CB 0.456 31.715 31.700 -0.735 0.000 0.875 337 L N 1.679 122.753 121.223 -0.247 0.000 2.289 337 L HA 0.321 4.662 4.340 0.001 0.000 0.285 337 L C 0.391 177.213 176.870 -0.079 0.000 1.049 337 L CA -1.244 53.551 54.840 -0.075 0.000 0.804 337 L CB 1.156 43.224 42.059 0.015 0.000 1.195 337 L HN 0.089 nan 8.230 nan 0.000 0.428 338 V N 2.186 122.059 119.914 -0.068 0.000 2.555 338 V HA 0.153 4.274 4.120 0.001 0.000 0.286 338 V C 0.469 176.453 176.094 -0.183 0.000 1.044 338 V CA 0.017 62.221 62.300 -0.161 0.000 1.026 338 V CB 1.150 32.840 31.823 -0.220 0.000 0.981 338 V HN 0.777 nan 8.190 nan 0.000 0.480 339 T N 5.577 120.037 114.554 -0.158 0.000 2.772 339 T HA 0.567 4.918 4.350 0.001 0.000 0.288 339 T C -0.737 173.922 174.700 -0.069 0.000 0.994 339 T CA -0.137 61.940 62.100 -0.037 0.000 0.951 339 T CB 0.362 69.337 68.868 0.178 0.000 0.933 339 T HN 0.456 nan 8.240 nan 0.000 0.447 340 Y N 0.905 121.255 120.300 0.083 0.000 2.496 340 Y HA 0.561 5.112 4.550 0.001 0.000 0.331 340 Y C 0.310 176.256 175.900 0.078 0.000 1.140 340 Y CA -1.409 56.727 58.100 0.060 0.000 1.166 340 Y CB 1.303 39.787 38.460 0.040 0.000 1.249 340 Y HN 0.255 nan 8.280 nan 0.000 0.479 341 V N 2.519 122.606 119.914 0.289 0.000 2.432 341 V HA 0.116 4.237 4.120 0.001 0.000 0.271 341 V C -0.004 176.162 176.094 0.121 0.000 1.046 341 V CA -1.133 61.282 62.300 0.192 0.000 0.945 341 V CB 0.909 32.872 31.823 0.234 0.000 0.992 341 V HN 0.580 nan 8.190 nan 0.000 0.471 342 K N 3.368 123.813 120.400 0.075 0.000 2.402 342 K HA 0.038 4.359 4.320 0.001 0.000 0.285 342 K C -0.107 176.495 176.600 0.003 0.000 1.054 342 K CA -0.285 56.021 56.287 0.031 0.000 1.001 342 K CB 0.202 32.711 32.500 0.014 0.000 0.946 342 K HN 0.740 nan 8.250 nan 0.000 0.473 343 D N 5.418 125.803 120.400 -0.025 0.000 2.435 343 D HA 0.026 4.667 4.640 0.001 0.000 0.230 343 D C -0.643 175.617 176.300 -0.066 0.000 1.215 343 D CA 0.023 53.994 54.000 -0.048 0.000 0.947 343 D CB 0.216 40.977 40.800 -0.064 0.000 1.048 343 D HN 0.623 nan 8.370 nan 0.000 0.512 344 E N 1.776 121.929 120.200 -0.078 0.000 2.460 344 E HA 0.423 4.773 4.350 0.001 0.000 0.277 344 E C -0.698 175.812 176.600 -0.151 0.000 1.010 344 E CA -1.063 55.278 56.400 -0.099 0.000 0.838 344 E CB 0.681 30.340 29.700 -0.067 0.000 1.448 344 E HN 0.117 nan 8.360 nan 0.000 0.462 345 L N 1.043 122.166 121.223 -0.167 0.000 2.371 345 L HA 0.464 4.805 4.340 0.001 0.000 0.272 345 L C 0.217 177.008 176.870 -0.131 0.000 1.124 345 L CA -0.575 54.132 54.840 -0.222 0.000 0.816 345 L CB 0.386 42.317 42.059 -0.214 0.000 1.129 345 L HN 0.415 nan 8.230 nan 0.000 0.448 346 R N 0.857 121.283 120.500 -0.123 0.000 2.836 346 R HA 0.414 4.755 4.340 0.001 0.000 0.269 346 R C -0.639 175.638 176.300 -0.038 0.000 1.010 346 R CA -0.802 55.260 56.100 -0.063 0.000 0.930 346 R CB 1.949 32.220 30.300 -0.049 0.000 1.218 346 R HN 0.729 nan 8.270 nan 0.000 0.473 347 S N 0.174 115.865 115.700 -0.016 0.000 2.614 347 S HA 0.076 4.546 4.470 0.001 0.000 0.265 347 S C 1.191 175.796 174.600 0.009 0.000 1.303 347 S CA -0.380 57.821 58.200 0.002 0.000 1.000 347 S CB 1.235 64.439 63.200 0.006 0.000 0.935 347 S HN 0.585 nan 8.310 nan 0.000 0.551 348 K N 0.961 121.373 120.400 0.020 0.000 2.113 348 K HA -0.114 4.207 4.320 0.001 0.000 0.208 348 K C 1.929 178.543 176.600 0.023 0.000 1.047 348 K CA 2.449 58.751 56.287 0.026 0.000 0.928 348 K CB -1.232 31.286 32.500 0.030 0.000 0.716 348 K HN 0.771 nan 8.250 nan 0.000 0.446 349 T N 0.602 115.167 114.554 0.019 0.000 2.698 349 T HA -0.043 4.308 4.350 0.001 0.000 0.260 349 T C 1.408 176.119 174.700 0.019 0.000 1.044 349 T CA 1.416 63.527 62.100 0.018 0.000 1.149 349 T CB -0.174 68.703 68.868 0.014 0.000 0.864 349 T HN 0.267 nan 8.240 nan 0.000 0.419 350 K N 0.961 121.369 120.400 0.014 0.000 2.589 350 K HA 0.011 4.332 4.320 0.001 0.000 0.195 350 K C 1.798 178.414 176.600 0.026 0.000 1.040 350 K CA 0.354 56.650 56.287 0.014 0.000 0.950 350 K CB -0.143 32.358 32.500 0.002 0.000 0.781 350 K HN 0.208 nan 8.250 nan 0.000 0.486 351 V N 0.488 120.417 119.914 0.026 0.000 2.521 351 V HA -0.102 4.019 4.120 0.001 0.000 0.239 351 V C 1.852 177.974 176.094 0.046 0.000 1.053 351 V CA 1.023 63.342 62.300 0.031 0.000 1.073 351 V CB -0.132 31.700 31.823 0.015 0.000 0.746 351 V HN 0.225 nan 8.190 nan 0.000 0.476 352 E N 0.355 120.578 120.200 0.039 0.000 2.085 352 E HA -0.257 4.094 4.350 0.001 0.000 0.194 352 E C 1.898 178.530 176.600 0.053 0.000 0.994 352 E CA 1.324 57.750 56.400 0.042 0.000 0.801 352 E CB -0.094 29.627 29.700 0.034 0.000 0.743 352 E HN 0.608 nan 8.360 nan 0.000 0.453 353 Q N -0.506 119.323 119.800 0.048 0.000 2.282 353 Q HA 0.094 4.434 4.340 0.001 0.000 0.205 353 Q C 0.698 176.736 176.000 0.064 0.000 0.915 353 Q CA 0.248 56.080 55.803 0.048 0.000 0.949 353 Q CB 0.753 29.507 28.738 0.027 0.000 1.035 353 Q HN 0.394 nan 8.270 nan 0.000 0.484 354 G N 1.995 110.861 108.800 0.110 0.000 2.269 354 G HA2 -0.293 3.668 3.960 0.001 0.000 0.277 354 G HA3 -0.293 3.668 3.960 0.001 0.000 0.277 354 G C 0.334 175.278 174.900 0.073 0.000 1.008 354 G CA 0.289 45.502 45.100 0.188 0.000 0.774 354 G HN 0.191 nan 8.290 nan 0.000 0.511 355 K N 1.173 121.589 120.400 0.026 0.000 3.245 355 K HA 0.173 4.494 4.320 0.001 0.000 0.285 355 K C 0.654 177.240 176.600 -0.023 0.000 1.156 355 K CA 0.135 56.406 56.287 -0.028 0.000 1.162 355 K CB -0.170 32.316 32.500 -0.024 0.000 1.365 355 K HN 0.338 nan 8.250 nan 0.000 0.316 356 S N 1.448 117.151 115.700 0.004 0.000 2.528 356 S HA 0.192 4.663 4.470 0.001 0.000 0.277 356 S C 0.514 175.085 174.600 -0.050 0.000 1.297 356 S CA -0.486 57.732 58.200 0.030 0.000 1.052 356 S CB 0.942 64.246 63.200 0.172 0.000 0.917 356 S HN 0.299 nan 8.310 nan 0.000 0.492 357 R N 2.010 122.484 120.500 -0.043 0.000 2.543 357 R HA 0.328 4.668 4.340 0.001 0.000 0.277 357 R C -0.429 175.834 176.300 -0.061 0.000 1.074 357 R CA -0.182 55.874 56.100 -0.073 0.000 1.076 357 R CB 0.300 30.570 30.300 -0.051 0.000 0.993 357 R HN 0.505 nan 8.270 nan 0.000 0.459 358 L N 3.529 124.688 121.223 -0.107 0.000 2.322 358 L HA 0.462 4.803 4.340 0.001 0.000 0.279 358 L C 0.059 176.924 176.870 -0.009 0.000 1.036 358 L CA -0.714 54.086 54.840 -0.066 0.000 0.807 358 L CB 1.329 43.286 42.059 -0.170 0.000 1.226 358 L HN 0.443 nan 8.230 nan 0.000 0.433 359 I N 2.329 122.941 120.570 0.070 0.000 2.321 359 I HA 0.178 4.349 4.170 0.001 0.000 0.291 359 I C -0.524 175.647 176.117 0.090 0.000 0.998 359 I CA -0.420 60.942 61.300 0.103 0.000 1.227 359 I CB 1.427 39.541 38.000 0.191 0.000 1.368 359 I HN 0.574 nan 8.210 nan 0.000 0.466 360 E N 5.910 126.153 120.200 0.072 0.000 2.121 360 E HA 0.450 4.800 4.350 0.001 0.000 0.255 360 E C -0.374 176.286 176.600 0.100 0.000 0.906 360 E CA -0.383 56.068 56.400 0.084 0.000 0.745 360 E CB 1.477 31.247 29.700 0.117 0.000 1.155 360 E HN 0.622 nan 8.360 nan 0.000 0.424 361 A N 2.551 125.421 122.820 0.082 0.000 2.409 361 A HA 0.414 4.735 4.320 0.001 0.000 0.267 361 A C 0.469 178.122 177.584 0.114 0.000 1.127 361 A CA -0.581 51.520 52.037 0.106 0.000 0.795 361 A CB 0.243 19.313 19.000 0.117 0.000 1.061 361 A HN 0.556 nan 8.150 nan 0.000 0.502 362 S N 2.753 118.544 115.700 0.152 0.000 2.584 362 S HA 0.412 4.883 4.470 0.001 0.000 0.273 362 S C 0.516 175.229 174.600 0.188 0.000 1.311 362 S CA 0.093 58.416 58.200 0.206 0.000 1.034 362 S CB 1.011 64.390 63.200 0.299 0.000 0.939 362 S HN 1.227 nan 8.310 nan 0.000 0.513 363 S N 1.808 117.633 115.700 0.209 0.000 2.558 363 S HA 0.013 4.484 4.470 0.001 0.000 0.288 363 S C 1.148 175.868 174.600 0.200 0.000 1.318 363 S CA -0.637 57.697 58.200 0.224 0.000 1.056 363 S CB -0.077 63.265 63.200 0.237 0.000 0.853 363 S HN 0.903 nan 8.310 nan 0.000 0.505 364 L N 5.287 126.631 121.223 0.203 0.000 2.137 364 L HA -0.133 4.208 4.340 0.001 0.000 0.213 364 L C 1.720 178.652 176.870 0.104 0.000 1.085 364 L CA 2.025 56.916 54.840 0.086 0.000 0.760 364 L CB -1.184 40.821 42.059 -0.091 0.000 0.893 364 L HN 0.721 nan 8.230 nan 0.000 0.434 365 N N 0.024 118.842 118.700 0.197 0.000 2.084 365 N HA -0.166 4.575 4.740 0.001 0.000 0.190 365 N C 1.526 177.096 175.510 0.099 0.000 1.030 365 N CA 1.644 54.791 53.050 0.163 0.000 0.849 365 N CB -0.471 38.148 38.487 0.219 0.000 1.012 365 N HN 0.437 nan 8.380 nan 0.000 0.423 366 D N -0.076 120.375 120.400 0.084 0.000 2.097 366 D HA -0.109 4.532 4.640 0.001 0.000 0.195 366 D C 1.884 178.211 176.300 0.045 0.000 0.989 366 D CA 0.793 54.794 54.000 0.002 0.000 0.827 366 D CB -0.480 40.283 40.800 -0.062 0.000 0.966 366 D HN 0.087 nan 8.370 nan 0.000 0.456 367 S N 0.014 115.769 115.700 0.091 0.000 2.365 367 S HA -0.159 4.312 4.470 0.001 0.000 0.221 367 S C 2.242 176.879 174.600 0.061 0.000 1.037 367 S CA 1.327 59.583 58.200 0.093 0.000 1.060 367 S CB -0.381 62.868 63.200 0.082 0.000 0.974 367 S HN 0.040 nan 8.310 nan 0.000 0.427 368 V N 2.080 122.014 119.914 0.034 0.000 2.295 368 V HA -0.180 3.941 4.120 0.001 0.000 0.246 368 V C 2.724 178.820 176.094 0.003 0.000 1.049 368 V CA 1.857 64.164 62.300 0.012 0.000 1.024 368 V CB -1.343 30.476 31.823 -0.006 0.000 0.648 368 V HN 0.610 nan 8.190 nan 0.000 0.447 369 A N -0.697 122.125 122.820 0.002 0.000 1.908 369 A HA -0.272 4.048 4.320 0.001 0.000 0.218 369 A C 2.225 179.671 177.584 -0.229 0.000 1.181 369 A CA 2.405 54.421 52.037 -0.035 0.000 0.627 369 A CB -0.499 18.544 19.000 0.071 0.000 0.818 369 A HN 0.517 nan 8.150 nan 0.000 0.445 370 M N -1.498 117.973 119.600 -0.216 0.000 2.394 370 M HA -0.065 4.416 4.480 0.001 0.000 0.264 370 M C 2.258 178.563 176.300 0.008 0.000 1.073 370 M CA 0.953 56.087 55.300 -0.276 0.000 1.111 370 M CB -0.163 32.492 32.600 0.091 0.000 1.401 370 M HN 0.380 nan 8.290 nan 0.000 0.448 371 R N -0.007 120.550 120.500 0.094 0.000 2.090 371 R HA 0.027 4.368 4.340 0.001 0.000 0.228 371 R C 2.115 178.440 176.300 0.043 0.000 1.110 371 R CA 1.185 57.400 56.100 0.192 0.000 0.973 371 R CB -0.213 30.182 30.300 0.160 0.000 0.869 371 R HN 0.379 nan 8.270 nan 0.000 0.440 372 M N 0.235 119.811 119.600 -0.039 0.000 2.117 372 M HA -0.091 4.390 4.480 0.001 0.000 0.262 372 M C 2.521 178.736 176.300 -0.141 0.000 1.065 372 M CA 1.673 56.938 55.300 -0.059 0.000 1.114 372 M CB -0.345 32.226 32.600 -0.048 0.000 1.361 372 M HN 0.234 nan 8.290 nan 0.000 0.408 373 A N 0.345 122.972 122.820 -0.322 0.000 1.841 373 A HA -0.100 4.221 4.320 0.001 0.000 0.214 373 A C 1.481 178.742 177.584 -0.538 0.000 1.195 373 A CA 1.525 53.218 52.037 -0.574 0.000 0.611 373 A CB -0.700 17.598 19.000 -1.169 0.000 0.835 373 A HN 0.469 nan 8.150 nan 0.000 0.443 374 F N -0.077 119.779 119.950 -0.157 0.000 2.695 374 F HA 0.284 4.812 4.527 0.001 0.000 0.303 374 F C 2.221 177.656 175.800 -0.609 0.000 1.091 374 F CA -0.398 57.363 58.000 -0.399 0.000 1.300 374 F CB -0.726 37.813 39.000 -0.769 0.000 1.071 374 F HN 0.241 nan 8.300 nan 0.000 0.578 375 G N 1.184 109.930 108.800 -0.089 0.000 2.624 375 G HA2 -0.376 3.585 3.960 0.001 0.000 0.221 375 G HA3 -0.376 3.585 3.960 0.001 0.000 0.221 375 G C 1.826 176.768 174.900 0.071 0.000 1.169 375 G CA 1.498 46.652 45.100 0.090 0.000 0.771 375 G HN 0.266 nan 8.290 nan 0.000 0.598 376 N N 0.212 118.961 118.700 0.083 0.000 2.120 376 N HA -0.088 4.653 4.740 0.001 0.000 0.188 376 N C 2.122 177.694 175.510 0.103 0.000 1.024 376 N CA 1.218 54.343 53.050 0.125 0.000 0.852 376 N CB -0.422 38.162 38.487 0.162 0.000 1.003 376 N HN 0.306 nan 8.380 nan 0.000 0.424 377 L N 0.690 121.921 121.223 0.014 0.000 2.012 377 L HA -0.159 4.182 4.340 0.001 0.000 0.210 377 L C 1.830 178.634 176.870 -0.110 0.000 1.073 377 L CA 1.603 56.354 54.840 -0.148 0.000 0.748 377 L CB -0.936 40.795 42.059 -0.547 0.000 0.891 377 L HN 0.061 nan 8.230 nan 0.000 0.431 378 Y N 0.108 120.321 120.300 -0.146 0.000 2.114 378 Y HA -0.154 4.397 4.550 0.001 0.000 0.284 378 Y C 2.674 178.406 175.900 -0.281 0.000 1.143 378 Y CA 0.988 58.892 58.100 -0.328 0.000 1.135 378 Y CB -1.681 36.652 38.460 -0.212 0.000 0.980 378 Y HN 0.297 nan 8.280 nan 0.000 0.499 379 A N 0.307 123.214 122.820 0.145 0.000 1.917 379 A HA -0.194 4.127 4.320 0.001 0.000 0.219 379 A C 2.546 180.203 177.584 0.122 0.000 1.182 379 A CA 2.368 54.513 52.037 0.179 0.000 0.633 379 A CB -1.340 17.759 19.000 0.165 0.000 0.819 379 A HN 0.426 nan 8.150 nan 0.000 0.448 380 A N -1.213 121.673 122.820 0.110 0.000 1.883 380 A HA -0.108 4.213 4.320 0.001 0.000 0.217 380 A C 2.044 179.657 177.584 0.049 0.000 1.186 380 A CA 1.642 53.730 52.037 0.084 0.000 0.624 380 A CB -0.861 18.198 19.000 0.098 0.000 0.822 380 A HN 0.521 nan 8.150 nan 0.000 0.444 381 F N -0.680 119.184 119.950 -0.142 0.000 2.216 381 F HA -0.174 4.354 4.527 0.001 0.000 0.300 381 F C 2.385 178.110 175.800 -0.125 0.000 1.085 381 F CA 1.861 59.760 58.000 -0.170 0.000 1.326 381 F CB -0.287 38.552 39.000 -0.268 0.000 1.027 381 F HN 0.393 nan 8.300 nan 0.000 0.497 382 H N -0.697 118.458 119.070 0.142 0.000 2.403 382 H HA -0.025 4.532 4.556 0.001 0.000 0.298 382 H C 1.571 176.911 175.328 0.020 0.000 1.059 382 H CA 0.836 56.914 56.048 0.051 0.000 1.363 382 H CB 0.018 29.807 29.762 0.044 0.000 1.410 382 H HN 0.108 nan 8.280 nan 0.000 0.528 383 K N 0.569 121.056 120.400 0.144 0.000 2.487 383 K HA 0.041 4.362 4.320 0.001 0.000 0.192 383 K C -0.012 176.610 176.600 0.036 0.000 1.027 383 K CA 0.269 56.605 56.287 0.081 0.000 1.054 383 K CB 0.436 32.978 32.500 0.071 0.000 0.824 383 K HN 0.288 nan 8.250 nan 0.000 0.510 384 N N 1.375 120.077 118.700 0.003 0.000 2.672 384 N HA 0.164 4.905 4.740 0.001 0.000 0.295 384 N C -2.969 172.511 175.510 -0.050 0.000 1.924 384 N CA -1.066 51.962 53.050 -0.036 0.000 0.851 384 N CB 1.483 39.906 38.487 -0.108 0.000 1.281 384 N HN -0.043 nan 8.380 nan 0.000 0.494 385 P HA 0.324 nan 4.420 nan 0.000 0.276 385 P C 0.444 177.821 177.300 0.128 0.000 1.253 385 P CA 0.288 63.334 63.100 -0.091 0.000 0.766 385 P CB 1.256 32.695 31.700 -0.436 0.000 0.845 386 G N 1.084 109.976 108.800 0.152 0.000 2.392 386 G HA2 0.219 4.180 3.960 0.001 0.000 0.260 386 G HA3 0.219 4.180 3.960 0.001 0.000 0.260 386 G C -0.073 174.892 174.900 0.108 0.000 1.226 386 G CA -0.259 44.977 45.100 0.226 0.000 0.913 386 G HN 0.295 nan 8.290 nan 0.000 0.483 387 V N -0.467 119.486 119.914 0.065 0.000 3.421 387 V HA 0.427 4.548 4.120 0.001 0.000 0.316 387 V C 1.199 177.313 176.094 0.034 0.000 1.347 387 V CA 0.057 62.382 62.300 0.042 0.000 1.183 387 V CB -0.286 31.553 31.823 0.027 0.000 1.092 387 V HN 0.508 nan 8.190 nan 0.000 0.433 388 I N 1.607 122.174 120.570 -0.005 0.000 3.194 388 I HA 0.027 4.198 4.170 0.001 0.000 0.271 388 I C 2.646 178.705 176.117 -0.097 0.000 1.150 388 I CA 1.895 63.165 61.300 -0.050 0.000 1.440 388 I CB -0.945 37.004 38.000 -0.085 0.000 1.276 388 I HN 0.496 nan 8.210 nan 0.000 0.457 389 T N -1.091 113.348 114.554 -0.190 0.000 2.942 389 T HA 0.098 4.449 4.350 0.001 0.000 0.265 389 T C 1.702 176.419 174.700 0.028 0.000 1.062 389 T CA 0.984 62.850 62.100 -0.390 0.000 1.139 389 T CB -0.359 68.020 68.868 -0.815 0.000 0.883 389 T HN 0.483 nan 8.240 nan 0.000 0.468 390 G N 0.798 109.642 108.800 0.072 0.000 2.155 390 G HA2 -0.235 3.725 3.960 0.001 0.000 0.257 390 G HA3 -0.235 3.725 3.960 0.001 0.000 0.257 390 G C 0.130 175.100 174.900 0.116 0.000 0.983 390 G CA 0.429 45.602 45.100 0.123 0.000 0.676 390 G HN 1.089 nan 8.290 nan 0.000 0.528 391 S N -0.799 114.969 115.700 0.113 0.000 2.482 391 S HA 0.785 5.256 4.470 0.001 0.000 0.303 391 S C 0.778 175.433 174.600 0.091 0.000 1.091 391 S CA 0.530 58.811 58.200 0.134 0.000 1.057 391 S CB 1.760 65.131 63.200 0.285 0.000 1.031 391 S HN 1.595 nan 8.310 nan 0.000 0.485 392 A N 4.079 126.980 122.820 0.135 0.000 2.430 392 A HA 0.442 4.763 4.320 0.001 0.000 0.243 392 A C 0.185 177.778 177.584 0.015 0.000 1.254 392 A CA -0.165 51.971 52.037 0.166 0.000 0.914 392 A CB -0.023 19.423 19.000 0.744 0.000 0.998 392 A HN 0.687 nan 8.150 nan 0.000 0.515 393 V N 0.578 120.318 119.914 -0.290 0.000 2.529 393 V HA 0.438 4.559 4.120 0.001 0.000 0.292 393 V C 1.557 177.665 176.094 0.024 0.000 1.028 393 V CA 1.428 63.460 62.300 -0.447 0.000 1.074 393 V CB 0.253 31.782 31.823 -0.490 0.000 0.958 393 V HN 1.074 nan 8.190 nan 0.000 0.481 394 G N 3.179 112.035 108.800 0.093 0.000 2.194 394 G HA2 -0.255 3.706 3.960 0.001 0.000 0.236 394 G HA3 -0.255 3.706 3.960 0.001 0.000 0.236 394 G C 0.522 175.423 174.900 0.001 0.000 0.987 394 G CA -0.021 45.109 45.100 0.051 0.000 0.635 394 G HN 1.257 nan 8.290 nan 0.000 0.520 395 C N 0.186 119.465 119.300 -0.035 0.000 2.705 395 C HA 0.640 5.101 4.460 0.001 0.000 0.365 395 C C 0.457 175.451 174.990 0.008 0.000 1.353 395 C CA -0.099 58.836 59.018 -0.138 0.000 2.339 395 C CB 1.406 28.870 27.740 -0.459 0.000 2.576 395 C HN 0.535 nan 8.230 nan 0.000 0.716 396 D N 1.515 121.957 120.400 0.070 0.000 2.432 396 D HA 0.378 5.019 4.640 0.001 0.000 0.265 396 D C -1.566 174.828 176.300 0.156 0.000 1.160 396 D CA -2.080 51.964 54.000 0.075 0.000 0.911 396 D CB 0.941 41.768 40.800 0.044 0.000 1.052 396 D HN 0.276 nan 8.370 nan 0.000 0.508 397 P HA -0.195 nan 4.420 nan 0.000 0.219 397 P C 0.854 178.152 177.300 -0.004 0.000 1.158 397 P CA 1.155 64.242 63.100 -0.021 0.000 0.895 397 P CB 0.320 31.660 31.700 -0.601 0.000 0.792 398 D N -1.407 118.962 120.400 -0.051 0.000 2.220 398 D HA -0.162 4.479 4.640 0.001 0.000 0.198 398 D C 1.833 178.307 176.300 0.290 0.000 1.001 398 D CA 1.181 55.263 54.000 0.136 0.000 0.875 398 D CB -0.384 40.563 40.800 0.246 0.000 0.921 398 D HN 0.264 nan 8.370 nan 0.000 0.454 399 L N -1.629 119.670 121.223 0.126 0.000 2.445 399 L HA 0.091 4.432 4.340 0.001 0.000 0.207 399 L C 2.036 179.102 176.870 0.326 0.000 1.053 399 L CA -0.084 54.750 54.840 -0.010 0.000 0.841 399 L CB -0.182 41.786 42.059 -0.152 0.000 1.074 399 L HN -0.127 nan 8.230 nan 0.000 0.479 400 F N 0.119 120.231 119.950 0.270 0.000 2.293 400 F HA -0.179 4.349 4.527 0.001 0.000 0.300 400 F C 2.162 178.257 175.800 0.491 0.000 1.086 400 F CA 1.268 59.480 58.000 0.355 0.000 1.375 400 F CB -0.216 39.018 39.000 0.390 0.000 1.045 400 F HN 0.098 nan 8.300 nan 0.000 0.516 401 W N 0.263 121.667 121.300 0.172 0.000 2.350 401 W HA -0.228 4.433 4.660 0.001 0.000 0.289 401 W C 2.307 178.925 176.519 0.165 0.000 1.215 401 W CA 1.256 58.690 57.345 0.148 0.000 1.236 401 W CB -0.333 29.155 29.460 0.047 0.000 1.130 401 W HN 0.000 nan 8.180 nan 0.000 0.541 402 S N -0.131 115.793 115.700 0.374 0.000 2.453 402 S HA -0.094 4.377 4.470 0.001 0.000 0.231 402 S C 1.440 176.063 174.600 0.038 0.000 1.005 402 S CA 0.931 59.267 58.200 0.228 0.000 0.949 402 S CB -0.106 63.273 63.200 0.298 0.000 0.774 402 S HN 0.311 nan 8.310 nan 0.000 0.510 403 K N 1.082 121.452 120.400 -0.051 0.000 2.137 403 K HA 0.211 4.532 4.320 0.001 0.000 0.202 403 K C 1.854 178.273 176.600 -0.302 0.000 1.052 403 K CA 0.532 56.721 56.287 -0.163 0.000 0.961 403 K CB -0.261 32.144 32.500 -0.160 0.000 0.741 403 K HN 0.259 nan 8.250 nan 0.000 0.452 404 I N 2.361 122.631 120.570 -0.500 0.000 2.113 404 I HA -0.285 3.886 4.170 0.001 0.000 0.242 404 I C -0.739 175.200 176.117 -0.297 0.000 1.057 404 I CA 1.666 62.682 61.300 -0.473 0.000 1.314 404 I CB -1.385 36.322 38.000 -0.489 0.000 1.022 404 I HN 0.120 nan 8.210 nan 0.000 0.408 405 P HA -0.080 nan 4.420 nan 0.000 0.220 405 P C 1.940 179.074 177.300 -0.276 0.000 1.148 405 P CA 1.238 64.012 63.100 -0.543 0.000 0.803 405 P CB -0.068 31.010 31.700 -1.037 0.000 0.782 406 V N 0.504 120.289 119.914 -0.215 0.000 2.343 406 V HA -0.205 3.916 4.120 0.001 0.000 0.247 406 V C 2.768 178.804 176.094 -0.097 0.000 1.051 406 V CA 1.531 63.748 62.300 -0.138 0.000 1.036 406 V CB -1.202 30.553 31.823 -0.115 0.000 0.654 406 V HN 0.031 nan 8.190 nan 0.000 0.451 407 L N -1.116 120.044 121.223 -0.105 0.000 2.141 407 L HA -0.059 4.282 4.340 0.001 0.000 0.209 407 L C 1.374 178.220 176.870 -0.040 0.000 1.094 407 L CA 0.592 55.392 54.840 -0.067 0.000 0.763 407 L CB -0.337 41.673 42.059 -0.081 0.000 0.908 407 L HN 0.320 nan 8.230 nan 0.000 0.437 408 M N 0.232 119.812 119.600 -0.034 0.000 2.240 408 M HA 0.051 4.532 4.480 0.001 0.000 0.333 408 M C 0.488 176.810 176.300 0.038 0.000 1.110 408 M CA 0.244 55.554 55.300 0.016 0.000 1.173 408 M CB 0.606 33.287 32.600 0.133 0.000 1.458 408 M HN -0.058 nan 8.290 nan 0.000 0.458 409 E N 0.901 121.122 120.200 0.035 0.000 2.620 409 E HA 0.018 4.368 4.350 0.001 0.000 0.255 409 E C 0.568 177.195 176.600 0.044 0.000 1.346 409 E CA 0.200 56.614 56.400 0.024 0.000 1.013 409 E CB 0.539 30.250 29.700 0.018 0.000 1.131 409 E HN 0.576 nan 8.360 nan 0.000 0.608 410 E N -0.115 120.085 120.200 0.000 0.000 2.152 410 E HA -0.041 4.310 4.350 0.001 0.000 0.192 410 E C -0.421 176.196 176.600 0.029 0.000 0.983 410 E CA 1.148 57.557 56.400 0.015 0.000 0.818 410 E CB 0.272 29.939 29.700 -0.056 0.000 0.758 410 E HN 0.104 nan 8.360 nan 0.000 0.467 411 K N 0.856 121.264 120.400 0.012 0.000 2.521 411 K HA 0.284 4.604 4.320 0.001 0.000 0.248 411 K C -0.670 175.954 176.600 0.040 0.000 0.978 411 K CA -0.394 55.904 56.287 0.019 0.000 0.947 411 K CB 1.149 33.671 32.500 0.036 0.000 1.165 411 K HN 0.068 nan 8.250 nan 0.000 0.445 412 L N 3.731 124.893 121.223 -0.101 0.000 2.461 412 L HA 0.361 4.702 4.340 0.001 0.000 0.272 412 L C 0.191 177.060 176.870 -0.001 0.000 1.197 412 L CA -0.258 54.463 54.840 -0.199 0.000 0.836 412 L CB -0.086 41.642 42.059 -0.552 0.000 1.105 412 L HN 0.502 nan 8.230 nan 0.000 0.477 413 F N 1.021 120.874 119.950 -0.162 0.000 2.641 413 F HA 0.895 5.423 4.527 0.001 0.000 0.308 413 F C -0.782 174.956 175.800 -0.103 0.000 1.105 413 F CA -0.806 57.146 58.000 -0.081 0.000 0.964 413 F CB 1.412 40.404 39.000 -0.013 0.000 1.294 413 F HN 0.550 nan 8.300 nan 0.000 0.442 414 A N 2.291 125.094 122.820 -0.029 0.000 2.586 414 A HA 0.905 5.226 4.320 0.001 0.000 0.290 414 A C -1.948 175.666 177.584 0.050 0.000 1.086 414 A CA -0.441 51.440 52.037 -0.261 0.000 0.665 414 A CB 1.399 20.201 19.000 -0.330 0.000 1.279 414 A HN 1.795 nan 8.150 nan 0.000 0.423 415 F N -1.428 118.478 119.950 -0.073 0.000 2.773 415 F HA 0.750 5.278 4.527 0.001 0.000 0.314 415 F C -1.569 174.136 175.800 -0.159 0.000 1.160 415 F CA -1.093 56.882 58.000 -0.042 0.000 0.920 415 F CB 0.565 39.574 39.000 0.014 0.000 1.323 415 F HN 0.357 nan 8.300 nan 0.000 0.457 416 D N 0.436 120.922 120.400 0.144 0.000 2.181 416 D HA 0.395 5.036 4.640 0.001 0.000 0.248 416 D C -1.187 175.154 176.300 0.068 0.000 1.020 416 D CA -0.040 53.983 54.000 0.038 0.000 0.891 416 D CB 1.467 42.295 40.800 0.046 0.000 1.187 416 D HN 0.522 nan 8.370 nan 0.000 0.443 417 Y N -0.288 120.121 120.300 0.183 0.000 2.488 417 Y HA 0.464 5.014 4.550 0.001 0.000 0.325 417 Y C 0.743 176.728 175.900 0.141 0.000 1.204 417 Y CA -0.515 57.712 58.100 0.213 0.000 1.229 417 Y CB 1.767 40.380 38.460 0.255 0.000 1.274 417 Y HN 0.053 nan 8.280 nan 0.000 0.493 418 T N 1.451 116.209 114.554 0.339 0.000 2.892 418 T HA 0.422 4.772 4.350 0.001 0.000 0.311 418 T C -0.074 174.727 174.700 0.169 0.000 1.033 418 T CA -0.462 61.754 62.100 0.192 0.000 0.991 418 T CB 0.579 69.528 68.868 0.136 0.000 0.981 418 T HN 1.047 nan 8.240 nan 0.000 0.457 419 G N 2.446 111.325 108.800 0.133 0.000 2.367 419 G HA2 -0.313 3.648 3.960 0.001 0.000 0.295 419 G HA3 -0.313 3.648 3.960 0.001 0.000 0.295 419 G C 0.339 175.302 174.900 0.104 0.000 1.019 419 G CA 0.574 45.722 45.100 0.081 0.000 1.224 419 G HN 0.844 nan 8.290 nan 0.000 0.510 420 Y N 0.582 120.875 120.300 -0.010 0.000 2.070 420 Y HA -0.107 4.444 4.550 0.001 0.000 0.279 420 Y C 2.412 178.249 175.900 -0.105 0.000 1.134 420 Y CA 2.419 60.447 58.100 -0.121 0.000 1.113 420 Y CB -0.133 38.184 38.460 -0.239 0.000 0.981 420 Y HN 0.410 nan 8.280 nan 0.000 0.487 421 D N 0.292 120.736 120.400 0.073 0.000 2.191 421 D HA -0.255 4.386 4.640 0.001 0.000 0.195 421 D C 1.996 178.276 176.300 -0.032 0.000 1.003 421 D CA 1.863 55.863 54.000 -0.000 0.000 0.867 421 D CB -0.453 40.397 40.800 0.082 0.000 0.926 421 D HN 0.501 nan 8.370 nan 0.000 0.450 422 A N 0.048 122.852 122.820 -0.027 0.000 2.132 422 A HA 0.040 4.361 4.320 0.001 0.000 0.213 422 A C 1.997 179.597 177.584 0.027 0.000 1.154 422 A CA 0.943 52.984 52.037 0.006 0.000 0.753 422 A CB -0.167 18.791 19.000 -0.069 0.000 0.826 422 A HN 0.248 nan 8.150 nan 0.000 0.469 423 S N -0.220 115.461 115.700 -0.033 0.000 2.562 423 S HA 0.215 4.685 4.470 0.001 0.000 0.221 423 S C 0.515 175.117 174.600 0.002 0.000 0.975 423 S CA -0.257 57.942 58.200 -0.001 0.000 0.918 423 S CB -0.615 62.585 63.200 0.000 0.000 0.772 423 S HN 0.370 nan 8.310 nan 0.000 0.531 424 L N 3.505 124.688 121.223 -0.066 0.000 2.600 424 L HA 0.187 4.528 4.340 0.001 0.000 0.278 424 L C 0.113 177.162 176.870 0.298 0.000 1.139 424 L CA -0.364 54.482 54.840 0.010 0.000 0.933 424 L CB -0.194 41.750 42.059 -0.192 0.000 1.266 424 L HN 0.174 nan 8.230 nan 0.000 0.471 425 S N 4.995 120.927 115.700 0.386 0.000 2.560 425 S HA 0.062 4.532 4.470 0.001 0.000 0.284 425 S C -1.282 173.529 174.600 0.351 0.000 1.327 425 S CA -0.979 57.401 58.200 0.300 0.000 1.055 425 S CB 0.966 64.282 63.200 0.192 0.000 0.868 425 S HN 0.446 nan 8.310 nan 0.000 0.506 426 P HA -0.199 nan 4.420 nan 0.000 0.218 426 P C 1.250 178.696 177.300 0.243 0.000 1.146 426 P CA 1.409 64.691 63.100 0.303 0.000 0.820 426 P CB 0.015 31.788 31.700 0.122 0.000 0.778 427 A N -2.041 120.819 122.820 0.065 0.000 1.972 427 A HA -0.170 4.151 4.320 0.001 0.000 0.219 427 A C 1.953 179.458 177.584 -0.130 0.000 1.169 427 A CA 1.268 53.247 52.037 -0.096 0.000 0.635 427 A CB -1.754 17.087 19.000 -0.265 0.000 0.810 427 A HN 0.278 nan 8.150 nan 0.000 0.446 428 W N -1.577 119.767 121.300 0.073 0.000 2.436 428 W HA 0.003 4.663 4.660 0.001 0.000 0.284 428 W C 1.812 178.253 176.519 -0.131 0.000 1.225 428 W CA 0.270 57.572 57.345 -0.071 0.000 1.271 428 W CB -0.366 28.961 29.460 -0.221 0.000 1.114 428 W HN 0.356 nan 8.180 nan 0.000 0.559 429 F N 0.612 120.678 119.950 0.193 0.000 2.206 429 F HA -0.165 4.362 4.527 0.001 0.000 0.298 429 F C 2.367 178.217 175.800 0.082 0.000 1.090 429 F CA 1.094 59.159 58.000 0.108 0.000 1.323 429 F CB -0.688 38.346 39.000 0.057 0.000 1.028 429 F HN -0.218 nan 8.300 nan 0.000 0.492 430 E N 0.489 120.834 120.200 0.241 0.000 2.110 430 E HA -0.194 4.157 4.350 0.001 0.000 0.193 430 E C 2.418 179.093 176.600 0.124 0.000 0.988 430 E CA 1.161 57.646 56.400 0.142 0.000 0.804 430 E CB -0.779 28.970 29.700 0.082 0.000 0.745 430 E HN 0.371 nan 8.360 nan 0.000 0.458 431 A N 1.267 124.161 122.820 0.124 0.000 1.902 431 A HA -0.156 4.165 4.320 0.001 0.000 0.217 431 A C 2.263 179.952 177.584 0.175 0.000 1.181 431 A CA 1.342 53.466 52.037 0.146 0.000 0.623 431 A CB -0.612 18.508 19.000 0.200 0.000 0.818 431 A HN 0.253 nan 8.150 nan 0.000 0.443 432 L N -0.115 121.208 121.223 0.167 0.000 2.046 432 L HA -0.143 4.198 4.340 0.001 0.000 0.208 432 L C 2.197 179.148 176.870 0.134 0.000 1.077 432 L CA 2.266 57.191 54.840 0.142 0.000 0.747 432 L CB -0.557 41.542 42.059 0.067 0.000 0.896 432 L HN 0.361 nan 8.230 nan 0.000 0.432 433 K N -0.932 119.549 120.400 0.135 0.000 2.009 433 K HA -0.206 4.115 4.320 0.001 0.000 0.210 433 K C 2.073 178.756 176.600 0.139 0.000 1.049 433 K CA 2.194 58.562 56.287 0.135 0.000 0.929 433 K CB -0.386 32.193 32.500 0.132 0.000 0.714 433 K HN 0.317 nan 8.250 nan 0.000 0.440 434 M N 0.618 120.296 119.600 0.130 0.000 2.143 434 M HA -0.239 4.242 4.480 0.001 0.000 0.258 434 M C 2.216 178.597 176.300 0.136 0.000 1.071 434 M CA 1.499 56.873 55.300 0.123 0.000 1.088 434 M CB -0.498 32.169 32.600 0.113 0.000 1.360 434 M HN 0.001 nan 8.290 nan 0.000 0.404 435 V N 0.605 120.613 119.914 0.156 0.000 2.270 435 V HA -0.256 3.865 4.120 0.001 0.000 0.245 435 V C 2.292 178.470 176.094 0.140 0.000 1.043 435 V CA 1.695 64.090 62.300 0.158 0.000 1.014 435 V CB -0.665 31.290 31.823 0.220 0.000 0.645 435 V HN 0.450 nan 8.190 nan 0.000 0.447 436 L N -0.267 121.049 121.223 0.154 0.000 1.971 436 L HA -0.225 4.116 4.340 0.001 0.000 0.215 436 L C 2.750 179.771 176.870 0.253 0.000 1.072 436 L CA 2.025 56.987 54.840 0.203 0.000 0.758 436 L CB -0.852 41.352 42.059 0.240 0.000 0.889 436 L HN 0.379 nan 8.230 nan 0.000 0.433 437 E N 0.968 121.289 120.200 0.201 0.000 2.086 437 E HA -0.308 4.043 4.350 0.001 0.000 0.205 437 E C 2.130 178.817 176.600 0.144 0.000 1.027 437 E CA 1.988 58.486 56.400 0.164 0.000 0.830 437 E CB -0.052 29.725 29.700 0.129 0.000 0.751 437 E HN 0.436 nan 8.360 nan 0.000 0.456 438 K N 0.120 120.597 120.400 0.128 0.000 2.211 438 K HA -0.071 4.250 4.320 0.001 0.000 0.203 438 K C 2.123 178.787 176.600 0.107 0.000 1.050 438 K CA 1.189 57.536 56.287 0.100 0.000 0.945 438 K CB -0.233 32.314 32.500 0.079 0.000 0.732 438 K HN 0.375 nan 8.250 nan 0.000 0.451 439 I N -2.802 117.861 120.570 0.154 0.000 3.806 439 I HA 0.276 4.447 4.170 0.001 0.000 0.321 439 I C 0.331 176.631 176.117 0.304 0.000 1.315 439 I CA 0.075 61.488 61.300 0.188 0.000 1.148 439 I CB -0.022 38.077 38.000 0.164 0.000 1.028 439 I HN 0.113 nan 8.210 nan 0.000 0.415 440 G N 1.466 110.406 108.800 0.233 0.000 2.248 440 G HA2 -0.282 3.679 3.960 0.001 0.000 0.252 440 G HA3 -0.282 3.679 3.960 0.001 0.000 0.252 440 G C -0.219 174.687 174.900 0.011 0.000 1.085 440 G CA 0.140 45.306 45.100 0.110 0.000 0.845 440 G HN 0.491 nan 8.290 nan 0.000 0.494 441 F N -0.544 119.466 119.950 0.101 0.000 2.899 441 F HA 0.345 4.873 4.527 0.001 0.000 0.337 441 F C 2.159 178.046 175.800 0.145 0.000 1.129 441 F CA 0.180 58.265 58.000 0.141 0.000 1.128 441 F CB 0.410 39.551 39.000 0.234 0.000 1.154 441 F HN 0.223 nan 8.300 nan 0.000 0.531 442 G N -0.027 108.913 108.800 0.234 0.000 2.527 442 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 442 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 442 G C 1.579 176.558 174.900 0.132 0.000 1.117 442 G CA 1.180 46.383 45.100 0.172 0.000 0.759 442 G HN 0.362 nan 8.290 nan 0.000 0.556 443 D N 1.513 121.976 120.400 0.105 0.000 2.178 443 D HA -0.116 4.525 4.640 0.001 0.000 0.201 443 D C 1.604 177.954 176.300 0.084 0.000 0.980 443 D CA 0.699 54.733 54.000 0.056 0.000 0.842 443 D CB 0.052 40.846 40.800 -0.009 0.000 0.948 443 D HN 0.538 nan 8.370 nan 0.000 0.472 444 R N 0.225 120.825 120.500 0.167 0.000 2.718 444 R HA 0.200 4.541 4.340 0.001 0.000 0.307 444 R C 1.091 177.616 176.300 0.375 0.000 1.244 444 R CA -0.114 56.120 56.100 0.223 0.000 1.348 444 R CB -0.003 30.408 30.300 0.185 0.000 1.304 444 R HN -0.043 nan 8.270 nan 0.000 0.663 445 V N -3.267 116.807 119.914 0.267 0.000 3.129 445 V HA -0.019 4.102 4.120 0.001 0.000 0.259 445 V C 1.166 177.371 176.094 0.186 0.000 1.116 445 V CA 0.876 63.330 62.300 0.256 0.000 1.127 445 V CB -0.202 31.728 31.823 0.178 0.000 0.742 445 V HN 0.096 nan 8.190 nan 0.000 0.474 446 D N 0.607 121.061 120.400 0.090 0.000 2.190 446 D HA -0.182 4.459 4.640 0.001 0.000 0.200 446 D C 1.884 178.180 176.300 -0.006 0.000 0.992 446 D CA 1.759 55.744 54.000 -0.025 0.000 0.854 446 D CB -0.414 40.292 40.800 -0.156 0.000 0.936 446 D HN 0.603 nan 8.370 nan 0.000 0.462 447 Y N 0.399 120.797 120.300 0.163 0.000 2.333 447 Y HA -0.117 4.434 4.550 0.001 0.000 0.290 447 Y C 2.230 178.257 175.900 0.212 0.000 1.144 447 Y CA 0.334 58.568 58.100 0.222 0.000 1.228 447 Y CB -0.106 38.562 38.460 0.348 0.000 0.985 447 Y HN 0.019 nan 8.280 nan 0.000 0.542 448 I N -0.200 120.522 120.570 0.253 0.000 2.252 448 I HA -0.239 3.932 4.170 0.001 0.000 0.245 448 I C 1.726 177.878 176.117 0.058 0.000 1.102 448 I CA 1.215 62.570 61.300 0.092 0.000 1.385 448 I CB -1.277 36.761 38.000 0.064 0.000 1.064 448 I HN 0.181 nan 8.210 nan 0.000 0.414 449 D N 0.371 120.809 120.400 0.064 0.000 2.158 449 D HA -0.273 4.368 4.640 0.001 0.000 0.197 449 D C 2.092 178.385 176.300 -0.011 0.000 0.995 449 D CA 1.326 55.324 54.000 -0.004 0.000 0.846 449 D CB -0.607 40.202 40.800 0.015 0.000 0.941 449 D HN 0.459 nan 8.370 nan 0.000 0.456 450 Y N 1.255 121.525 120.300 -0.049 0.000 2.207 450 Y HA -0.167 4.384 4.550 0.001 0.000 0.287 450 Y C 2.026 177.865 175.900 -0.102 0.000 1.156 450 Y CA 1.305 59.375 58.100 -0.051 0.000 1.182 450 Y CB -0.382 38.101 38.460 0.038 0.000 0.979 450 Y HN -0.048 nan 8.280 nan 0.000 0.521 451 L N 0.167 121.232 121.223 -0.263 0.000 2.072 451 L HA -0.169 4.172 4.340 0.001 0.000 0.205 451 L C 2.474 179.022 176.870 -0.536 0.000 1.079 451 L CA 1.433 56.052 54.840 -0.369 0.000 0.752 451 L CB -0.802 41.224 42.059 -0.055 0.000 0.906 451 L HN 0.265 nan 8.230 nan 0.000 0.436 452 N N -0.242 118.000 118.700 -0.764 0.000 2.039 452 N HA -0.209 4.532 4.740 0.001 0.000 0.193 452 N C 0.887 176.147 175.510 -0.417 0.000 1.044 452 N CA 1.328 53.807 53.050 -0.952 0.000 0.847 452 N CB -0.088 37.821 38.487 -0.964 0.000 1.030 452 N HN 0.256 nan 8.380 nan 0.000 0.422 453 H N 0.192 119.029 119.070 -0.388 0.000 2.597 453 H HA 0.364 4.921 4.556 0.001 0.000 0.303 453 H C -1.031 174.036 175.328 -0.435 0.000 1.057 453 H CA -0.284 55.575 56.048 -0.315 0.000 1.261 453 H CB 0.157 29.794 29.762 -0.208 0.000 1.397 453 H HN 0.268 nan 8.280 nan 0.000 0.461 454 S N 5.251 120.460 115.700 -0.818 0.000 2.575 454 S HA 0.312 4.783 4.470 0.001 0.000 0.278 454 S C -1.128 172.797 174.600 -1.125 0.000 1.139 454 S CA -1.074 56.556 58.200 -0.950 0.000 0.954 454 S CB 1.727 64.443 63.200 -0.808 0.000 1.054 454 S HN 0.630 nan 8.310 nan 0.000 0.483 455 H N 2.729 121.299 119.070 -0.833 0.000 2.467 455 H HA 0.526 5.083 4.556 0.001 0.000 0.331 455 H C -0.143 174.549 175.328 -1.059 0.000 1.120 455 H CA -0.250 55.277 56.048 -0.869 0.000 1.270 455 H CB 0.644 30.086 29.762 -0.534 0.000 1.466 455 H HN 0.694 nan 8.280 nan 0.000 0.504 456 H N 1.820 120.459 119.070 -0.718 0.000 2.622 456 H HA 0.328 4.885 4.556 0.001 0.000 0.363 456 H C -0.052 174.890 175.328 -0.643 0.000 1.151 456 H CA -0.775 54.845 56.048 -0.713 0.000 1.184 456 H CB 2.280 31.491 29.762 -0.919 0.000 1.643 456 H HN 0.357 nan 8.280 nan 0.000 0.531 457 L N 3.104 124.158 121.223 -0.281 0.000 2.264 457 L HA 0.108 4.449 4.340 0.001 0.000 0.287 457 L C 0.671 177.556 176.870 0.024 0.000 1.039 457 L CA -0.505 54.228 54.840 -0.179 0.000 0.829 457 L CB 0.499 42.401 42.059 -0.262 0.000 1.211 457 L HN 0.588 nan 8.230 nan 0.000 0.427 458 Y N 4.756 125.115 120.300 0.099 0.000 2.170 458 Y HA -0.073 4.478 4.550 0.002 0.000 0.280 458 Y C 1.996 177.980 175.900 0.140 0.000 1.097 458 Y CA 1.751 59.988 58.100 0.229 0.000 1.087 458 Y CB 0.308 39.091 38.460 0.538 0.000 1.016 458 Y HN 0.594 nan 8.280 nan 0.000 0.485 459 K N -2.148 118.170 120.400 -0.137 0.000 2.868 459 K HA 0.060 4.381 4.320 0.001 0.000 0.217 459 K C 1.238 177.837 176.600 -0.002 0.000 1.712 459 K CA 0.601 56.751 56.287 -0.229 0.000 1.134 459 K CB -0.266 31.967 32.500 -0.446 0.000 2.040 459 K HN 0.198 nan 8.250 nan 0.000 0.487 460 N N 0.335 119.094 118.700 0.097 0.000 2.250 460 N HA 0.138 4.879 4.740 0.001 0.000 0.190 460 N C -0.838 174.772 175.510 0.167 0.000 1.116 460 N CA 0.301 53.427 53.050 0.126 0.000 0.881 460 N CB 0.620 39.186 38.487 0.131 0.000 1.006 460 N HN 0.008 nan 8.380 nan 0.000 0.491 461 K N -0.992 119.553 120.400 0.242 0.000 2.400 461 K HA 0.480 4.801 4.320 0.001 0.000 0.246 461 K C -0.846 175.908 176.600 0.257 0.000 0.995 461 K CA -0.753 55.687 56.287 0.255 0.000 0.840 461 K CB 1.843 34.508 32.500 0.276 0.000 1.293 461 K HN 0.071 nan 8.250 nan 0.000 0.445 462 T N -1.281 113.403 114.554 0.217 0.000 2.876 462 T HA 0.765 5.116 4.350 0.001 0.000 0.289 462 T C -1.295 173.437 174.700 0.053 0.000 1.014 462 T CA -0.765 61.371 62.100 0.060 0.000 0.986 462 T CB 0.591 69.477 68.868 0.029 0.000 1.021 462 T HN 0.527 nan 8.240 nan 0.000 0.458 463 Y N -0.483 119.652 120.300 -0.275 0.000 2.581 463 Y HA 0.707 5.257 4.550 0.001 0.000 0.337 463 Y C -0.581 174.847 175.900 -0.786 0.000 1.108 463 Y CA -1.923 55.796 58.100 -0.635 0.000 1.033 463 Y CB 0.471 38.720 38.460 -0.351 0.000 1.318 463 Y HN 1.032 nan 8.280 nan 0.000 0.459 464 C N 1.640 120.280 119.300 -1.100 0.000 2.382 464 C HA 0.927 5.388 4.460 0.001 0.000 0.327 464 C C -0.707 174.043 174.990 -0.400 0.000 1.250 464 C CA -0.761 57.877 59.018 -0.634 0.000 1.707 464 C CB 0.619 28.157 27.740 -0.336 0.000 2.272 464 C HN 0.806 nan 8.230 nan 0.000 0.506 465 V N 5.017 124.746 119.914 -0.309 0.000 2.398 465 V HA 0.463 4.583 4.120 0.001 0.000 0.286 465 V C 0.034 176.027 176.094 -0.169 0.000 1.026 465 V CA -0.136 62.048 62.300 -0.193 0.000 0.868 465 V CB 1.448 33.234 31.823 -0.062 0.000 0.982 465 V HN 0.868 nan 8.190 nan 0.000 0.443 466 K N 4.033 124.399 120.400 -0.056 0.000 2.357 466 K HA 0.656 4.977 4.320 0.001 0.000 0.251 466 K C -0.023 176.587 176.600 0.017 0.000 1.069 466 K CA 0.433 56.740 56.287 0.033 0.000 0.994 466 K CB 0.697 33.267 32.500 0.117 0.000 1.411 466 K HN 1.113 nan 8.250 nan 0.000 0.450 467 G N 1.284 110.069 108.800 -0.025 0.000 2.459 467 G HA2 0.322 4.283 3.960 0.001 0.000 0.685 467 G HA3 0.322 4.283 3.960 0.001 0.000 0.685 467 G C -0.197 174.773 174.900 0.117 0.000 1.303 467 G CA 0.008 45.141 45.100 0.055 0.000 0.907 467 G HN 0.906 nan 8.290 nan 0.000 0.632 468 G N -1.021 107.944 108.800 0.275 0.000 2.778 468 G HA2 0.268 4.229 3.960 0.001 0.000 0.686 468 G HA3 0.268 4.229 3.960 0.001 0.000 0.686 468 G C 0.050 175.135 174.900 0.308 0.000 1.309 468 G CA 0.628 45.897 45.100 0.282 0.000 0.904 468 G HN 2.294 nan 8.290 nan 0.000 0.593 469 M N 5.154 124.966 119.600 0.353 0.000 2.143 469 M HA 0.479 4.960 4.480 0.001 0.000 0.348 469 M C -1.442 174.964 176.300 0.177 0.000 1.375 469 M CA -2.098 53.403 55.300 0.334 0.000 1.124 469 M CB 0.550 33.302 32.600 0.254 0.000 1.669 469 M HN 0.459 nan 8.290 nan 0.000 0.469 470 P HA 0.094 nan 4.420 nan 0.000 0.270 470 P C -0.172 177.191 177.300 0.104 0.000 1.223 470 P CA 0.002 63.170 63.100 0.114 0.000 0.785 470 P CB 0.380 32.130 31.700 0.083 0.000 0.923 471 S N 0.402 116.150 115.700 0.080 0.000 2.458 471 S HA 0.082 4.553 4.470 0.001 0.000 0.223 471 S C 1.355 176.005 174.600 0.083 0.000 1.019 471 S CA 0.650 58.893 58.200 0.071 0.000 0.937 471 S CB -0.749 62.476 63.200 0.042 0.000 0.788 471 S HN 0.600 nan 8.310 nan 0.000 0.511 472 G N 0.672 109.530 108.800 0.096 0.000 4.804 472 G HA2 0.515 4.476 3.960 0.001 0.000 0.310 472 G HA3 0.515 4.476 3.960 0.001 0.000 0.310 472 G C -0.398 174.578 174.900 0.126 0.000 1.389 472 G CA -0.406 44.756 45.100 0.104 0.000 1.106 472 G HN 0.446 nan 8.290 nan 0.000 0.595 473 C N -0.647 118.738 119.300 0.142 0.000 2.667 473 C HA 0.746 5.207 4.460 0.001 0.000 0.323 473 C C 0.940 176.041 174.990 0.184 0.000 1.214 473 C CA -0.639 58.499 59.018 0.200 0.000 1.721 473 C CB 1.682 29.572 27.740 0.251 0.000 2.275 473 C HN 0.481 nan 8.230 nan 0.000 0.491 474 S N 0.452 116.284 115.700 0.220 0.000 2.549 474 S HA 0.413 4.884 4.470 0.001 0.000 0.286 474 S C 1.258 175.995 174.600 0.228 0.000 1.314 474 S CA 1.248 59.546 58.200 0.164 0.000 1.062 474 S CB -0.001 63.336 63.200 0.229 0.000 0.865 474 S HN 1.998 nan 8.310 nan 0.000 0.498 475 G N 3.664 112.393 108.800 -0.118 0.000 2.212 475 G HA2 -0.326 3.635 3.960 0.001 0.000 0.266 475 G HA3 -0.326 3.635 3.960 0.001 0.000 0.266 475 G C 1.000 175.881 174.900 -0.033 0.000 0.978 475 G CA 0.939 45.897 45.100 -0.237 0.000 0.632 475 G HN 0.826 nan 8.290 nan 0.000 0.537 476 T N 1.226 115.854 114.554 0.123 0.000 2.594 476 T HA -0.259 4.092 4.350 0.001 0.000 0.266 476 T C 2.624 177.352 174.700 0.047 0.000 1.070 476 T CA 2.600 64.791 62.100 0.150 0.000 1.166 476 T CB -0.514 68.423 68.868 0.115 0.000 0.862 476 T HN 0.587 nan 8.240 nan 0.000 0.436 477 S N 0.941 116.609 115.700 -0.054 0.000 2.351 477 S HA -0.058 4.413 4.470 0.001 0.000 0.220 477 S C 2.079 176.552 174.600 -0.213 0.000 1.035 477 S CA 1.309 59.446 58.200 -0.105 0.000 1.031 477 S CB -0.543 62.570 63.200 -0.145 0.000 0.928 477 S HN 0.419 nan 8.310 nan 0.000 0.433 478 I N 0.639 120.989 120.570 -0.367 0.000 2.099 478 I HA -0.220 3.951 4.170 0.001 0.000 0.239 478 I C 2.103 177.959 176.117 -0.436 0.000 1.066 478 I CA 1.577 62.558 61.300 -0.532 0.000 1.324 478 I CB -0.653 36.856 38.000 -0.817 0.000 1.037 478 I HN 0.194 nan 8.210 nan 0.000 0.401 479 F N 1.326 121.161 119.950 -0.192 0.000 2.161 479 F HA -0.229 4.299 4.527 0.001 0.000 0.300 479 F C 2.410 178.145 175.800 -0.108 0.000 1.089 479 F CA 1.283 59.191 58.000 -0.154 0.000 1.282 479 F CB -1.234 37.706 39.000 -0.100 0.000 1.010 479 F HN 0.151 nan 8.300 nan 0.000 0.485 480 N N -0.069 118.687 118.700 0.094 0.000 2.120 480 N HA -0.138 4.603 4.740 0.001 0.000 0.188 480 N C 2.034 177.572 175.510 0.047 0.000 1.024 480 N CA 1.527 54.638 53.050 0.102 0.000 0.852 480 N CB -0.625 37.959 38.487 0.160 0.000 1.003 480 N HN 0.160 nan 8.380 nan 0.000 0.424 481 S N 0.902 116.585 115.700 -0.029 0.000 2.368 481 S HA 0.006 4.477 4.470 0.001 0.000 0.224 481 S C 2.039 176.621 174.600 -0.031 0.000 1.029 481 S CA 0.874 59.050 58.200 -0.040 0.000 0.988 481 S CB -0.092 63.076 63.200 -0.053 0.000 0.838 481 S HN 0.316 nan 8.310 nan 0.000 0.462 482 M N 0.694 120.294 119.600 -0.001 0.000 2.117 482 M HA -0.046 4.435 4.480 0.001 0.000 0.262 482 M C 2.025 178.278 176.300 -0.079 0.000 1.065 482 M CA 1.415 56.746 55.300 0.052 0.000 1.114 482 M CB -0.628 32.083 32.600 0.186 0.000 1.361 482 M HN 0.247 nan 8.290 nan 0.000 0.408 483 I N 0.316 120.852 120.570 -0.056 0.000 2.226 483 I HA -0.317 3.854 4.170 0.001 0.000 0.245 483 I C 2.292 178.266 176.117 -0.238 0.000 1.100 483 I CA 1.045 62.256 61.300 -0.147 0.000 1.374 483 I CB -0.546 37.312 38.000 -0.236 0.000 1.057 483 I HN 0.375 nan 8.210 nan 0.000 0.413 484 N N 1.399 120.024 118.700 -0.124 0.000 2.043 484 N HA -0.214 4.527 4.740 0.001 0.000 0.193 484 N C 1.552 176.960 175.510 -0.170 0.000 1.037 484 N CA 1.519 54.509 53.050 -0.099 0.000 0.851 484 N CB -0.405 38.031 38.487 -0.085 0.000 1.027 484 N HN 0.253 nan 8.380 nan 0.000 0.422 485 N N 0.599 119.144 118.700 -0.259 0.000 2.060 485 N HA -0.176 4.565 4.740 0.001 0.000 0.195 485 N C 1.844 177.165 175.510 -0.316 0.000 1.028 485 N CA 1.042 53.853 53.050 -0.399 0.000 0.861 485 N CB -0.456 37.443 38.487 -0.979 0.000 1.029 485 N HN 0.331 nan 8.380 nan 0.000 0.428 486 L N 0.804 121.855 121.223 -0.287 0.000 2.083 486 L HA -0.127 4.214 4.340 0.001 0.000 0.209 486 L C 2.290 179.129 176.870 -0.051 0.000 1.083 486 L CA 0.808 55.617 54.840 -0.052 0.000 0.752 486 L CB -0.342 41.785 42.059 0.113 0.000 0.899 486 L HN 0.134 nan 8.230 nan 0.000 0.433 487 I N -0.556 119.826 120.570 -0.313 0.000 2.133 487 I HA -0.292 3.879 4.170 0.001 0.000 0.238 487 I C 2.452 178.533 176.117 -0.060 0.000 1.074 487 I CA 1.010 62.086 61.300 -0.375 0.000 1.342 487 I CB -0.296 37.411 38.000 -0.488 0.000 1.053 487 I HN 0.124 nan 8.210 nan 0.000 0.404 488 I N 0.998 121.586 120.570 0.030 0.000 2.151 488 I HA -0.323 3.848 4.170 0.001 0.000 0.243 488 I C 2.718 178.883 176.117 0.081 0.000 1.080 488 I CA 1.817 63.202 61.300 0.141 0.000 1.339 488 I CB -1.314 36.784 38.000 0.164 0.000 1.039 488 I HN 0.286 nan 8.210 nan 0.000 0.409 489 R N 0.082 120.607 120.500 0.042 0.000 2.082 489 R HA -0.165 4.176 4.340 0.001 0.000 0.234 489 R C 2.314 178.635 176.300 0.035 0.000 1.136 489 R CA 2.295 58.415 56.100 0.032 0.000 0.935 489 R CB -0.809 29.523 30.300 0.054 0.000 0.842 489 R HN 0.366 nan 8.270 nan 0.000 0.430 490 T N 1.853 116.441 114.554 0.056 0.000 2.635 490 T HA -0.169 4.182 4.350 0.001 0.000 0.267 490 T C 1.901 176.545 174.700 -0.093 0.000 1.040 490 T CA 1.499 63.617 62.100 0.030 0.000 1.156 490 T CB -0.295 68.601 68.868 0.046 0.000 0.863 490 T HN 0.146 nan 8.240 nan 0.000 0.430 491 L N 0.174 121.329 121.223 -0.113 0.000 2.083 491 L HA -0.046 4.295 4.340 0.001 0.000 0.209 491 L C 2.546 179.349 176.870 -0.112 0.000 1.083 491 L CA 1.030 55.793 54.840 -0.129 0.000 0.752 491 L CB -0.701 41.309 42.059 -0.082 0.000 0.899 491 L HN 0.242 nan 8.230 nan 0.000 0.433 492 L N -0.481 120.704 121.223 -0.064 0.000 1.994 492 L HA -0.229 4.111 4.340 0.001 0.000 0.208 492 L C 2.576 179.412 176.870 -0.056 0.000 1.071 492 L CA 1.255 56.051 54.840 -0.073 0.000 0.745 492 L CB -0.518 41.475 42.059 -0.111 0.000 0.892 492 L HN 0.228 nan 8.230 nan 0.000 0.431 493 L N -0.119 121.091 121.223 -0.021 0.000 2.043 493 L HA -0.293 4.048 4.340 0.001 0.000 0.212 493 L C 2.690 179.552 176.870 -0.012 0.000 1.075 493 L CA 1.632 56.503 54.840 0.052 0.000 0.752 493 L CB -0.539 41.627 42.059 0.178 0.000 0.891 493 L HN 0.302 nan 8.230 nan 0.000 0.432 494 K N -0.795 119.470 120.400 -0.225 0.000 2.116 494 K HA -0.098 4.223 4.320 0.001 0.000 0.203 494 K C 1.976 178.400 176.600 -0.293 0.000 1.052 494 K CA 1.449 57.436 56.287 -0.501 0.000 0.952 494 K CB 0.140 32.233 32.500 -0.679 0.000 0.729 494 K HN 0.237 nan 8.250 nan 0.000 0.446 495 T N -0.324 114.070 114.554 -0.266 0.000 2.706 495 T HA -0.064 4.287 4.350 0.001 0.000 0.255 495 T C 0.081 174.513 174.700 -0.447 0.000 1.048 495 T CA 1.009 62.876 62.100 -0.389 0.000 1.153 495 T CB -0.196 68.360 68.868 -0.521 0.000 0.865 495 T HN 0.069 nan 8.240 nan 0.000 0.414 496 Y N 2.324 122.530 120.300 -0.156 0.000 2.751 496 Y HA 0.495 5.046 4.550 0.001 0.000 0.333 496 Y C 0.269 176.114 175.900 -0.091 0.000 1.122 496 Y CA -1.372 56.645 58.100 -0.138 0.000 1.367 496 Y CB 0.065 38.407 38.460 -0.197 0.000 1.242 496 Y HN -0.099 nan 8.280 nan 0.000 0.505 497 K N 1.674 122.098 120.400 0.040 0.000 2.451 497 K HA 0.324 4.645 4.320 0.001 0.000 0.280 497 K C 0.858 177.505 176.600 0.077 0.000 1.020 497 K CA 0.961 57.282 56.287 0.056 0.000 1.008 497 K CB 0.077 32.600 32.500 0.039 0.000 0.917 497 K HN 0.826 nan 8.250 nan 0.000 0.478 498 G N 3.901 112.753 108.800 0.085 0.000 2.298 498 G HA2 -0.284 3.677 3.960 0.001 0.000 0.287 498 G HA3 -0.284 3.677 3.960 0.001 0.000 0.287 498 G C 0.040 174.995 174.900 0.091 0.000 1.075 498 G CA 0.257 45.407 45.100 0.083 0.000 0.960 498 G HN 0.604 nan 8.290 nan 0.000 0.502 499 I N -0.714 119.903 120.570 0.078 0.000 3.394 499 I HA 0.660 4.831 4.170 0.001 0.000 0.264 499 I C 0.192 176.389 176.117 0.134 0.000 1.184 499 I CA -0.754 60.588 61.300 0.070 0.000 0.890 499 I CB 1.075 39.038 38.000 -0.062 0.000 1.619 499 I HN 0.105 nan 8.210 nan 0.000 0.820 500 D N 1.993 122.534 120.400 0.234 0.000 2.346 500 D HA 0.225 4.866 4.640 0.001 0.000 0.255 500 D C 0.653 177.091 176.300 0.230 0.000 1.276 500 D CA -0.193 53.951 54.000 0.240 0.000 0.941 500 D CB 0.416 41.410 40.800 0.322 0.000 1.199 500 D HN 0.503 nan 8.370 nan 0.000 0.537 501 L N 1.360 122.584 121.223 0.001 0.000 2.187 501 L HA -0.131 4.210 4.340 0.001 0.000 0.213 501 L C 1.091 177.942 176.870 -0.032 0.000 1.100 501 L CA 0.888 55.598 54.840 -0.216 0.000 0.765 501 L CB -0.064 41.423 42.059 -0.953 0.000 0.904 501 L HN 0.283 nan 8.230 nan 0.000 0.437 502 D N -1.155 119.293 120.400 0.080 0.000 2.403 502 D HA -0.124 4.517 4.640 0.001 0.000 0.227 502 D C 1.330 177.483 176.300 -0.245 0.000 0.995 502 D CA 0.969 54.979 54.000 0.016 0.000 0.928 502 D CB -0.050 40.657 40.800 -0.156 0.000 0.887 502 D HN 0.370 nan 8.370 nan 0.000 0.529 503 H N -0.657 118.509 119.070 0.160 0.000 2.512 503 H HA 0.193 4.750 4.556 0.001 0.000 0.276 503 H C -0.078 175.358 175.328 0.179 0.000 1.126 503 H CA -0.536 55.541 56.048 0.050 0.000 1.060 503 H CB 0.308 29.965 29.762 -0.174 0.000 1.646 503 H HN 0.067 nan 8.280 nan 0.000 0.571 504 L N 2.224 123.649 121.223 0.336 0.000 2.265 504 L HA 0.311 4.652 4.340 0.001 0.000 0.288 504 L C -0.495 176.498 176.870 0.205 0.000 1.058 504 L CA -0.292 54.750 54.840 0.337 0.000 0.809 504 L CB 0.588 42.785 42.059 0.230 0.000 1.179 504 L HN -0.210 nan 8.230 nan 0.000 0.429 505 K N 7.830 128.327 120.400 0.162 0.000 2.450 505 K HA 0.581 4.901 4.320 0.001 0.000 0.257 505 K C -0.890 175.709 176.600 -0.003 0.000 0.953 505 K CA -0.275 56.056 56.287 0.073 0.000 0.844 505 K CB 1.741 34.269 32.500 0.047 0.000 1.103 505 K HN 0.877 nan 8.250 nan 0.000 0.429 506 M N 0.931 120.514 119.600 -0.028 0.000 2.622 506 M HA 0.655 5.136 4.480 0.001 0.000 0.276 506 M C -1.230 174.996 176.300 -0.123 0.000 1.265 506 M CA -0.976 54.243 55.300 -0.135 0.000 0.850 506 M CB 2.125 34.639 32.600 -0.143 0.000 1.720 506 M HN 0.320 nan 8.290 nan 0.000 0.465 507 I N 1.188 121.624 120.570 -0.225 0.000 2.571 507 I HA 0.789 4.959 4.170 0.001 0.000 0.289 507 I C -0.991 175.032 176.117 -0.155 0.000 1.115 507 I CA -0.819 60.376 61.300 -0.176 0.000 1.045 507 I CB 2.153 40.000 38.000 -0.256 0.000 1.238 507 I HN 0.981 nan 8.210 nan 0.000 0.424 508 A N 4.994 127.857 122.820 0.071 0.000 2.354 508 A HA 0.829 5.150 4.320 0.001 0.000 0.321 508 A C -1.823 175.965 177.584 0.340 0.000 1.125 508 A CA -0.436 51.711 52.037 0.185 0.000 0.799 508 A CB 1.586 20.605 19.000 0.032 0.000 1.293 508 A HN 0.639 nan 8.150 nan 0.000 0.452 509 Y N 0.947 121.364 120.300 0.195 0.000 2.422 509 Y HA 0.475 5.026 4.550 0.001 0.000 0.344 509 Y C 0.731 176.605 175.900 -0.044 0.000 1.097 509 Y CA 0.383 58.527 58.100 0.073 0.000 1.307 509 Y CB 0.775 39.215 38.460 -0.032 0.000 1.102 509 Y HN 1.883 nan 8.280 nan 0.000 0.520 510 G N 4.081 112.935 108.800 0.089 0.000 2.561 510 G HA2 -0.380 3.581 3.960 0.001 0.000 0.289 510 G HA3 -0.380 3.581 3.960 0.001 0.000 0.289 510 G C 0.757 175.500 174.900 -0.262 0.000 1.169 510 G CA 0.656 45.758 45.100 0.003 0.000 0.980 510 G HN 0.707 nan 8.290 nan 0.000 0.550 511 D N 1.092 121.244 120.400 -0.414 0.000 2.349 511 D HA 0.099 4.739 4.640 0.001 0.000 0.215 511 D C 0.473 176.631 176.300 -0.236 0.000 1.016 511 D CA 0.807 54.311 54.000 -0.827 0.000 0.870 511 D CB -0.086 40.295 40.800 -0.699 0.000 0.917 511 D HN 0.346 nan 8.370 nan 0.000 0.524 512 D N 0.831 121.177 120.400 -0.091 0.000 2.312 512 D HA 0.250 4.891 4.640 0.001 0.000 0.252 512 D C -1.005 175.374 176.300 0.131 0.000 1.150 512 D CA -0.391 53.617 54.000 0.012 0.000 0.870 512 D CB 1.647 42.431 40.800 -0.027 0.000 1.153 512 D HN -0.106 nan 8.370 nan 0.000 0.457 513 V N 5.688 125.606 119.914 0.008 0.000 2.808 513 V HA 0.485 4.606 4.120 0.001 0.000 0.308 513 V C -1.246 174.687 176.094 -0.270 0.000 1.099 513 V CA -0.912 61.330 62.300 -0.096 0.000 0.920 513 V CB 2.031 33.696 31.823 -0.263 0.000 1.014 513 V HN 0.568 nan 8.190 nan 0.000 0.425 514 I N 6.621 126.941 120.570 -0.416 0.000 2.382 514 I HA 0.869 5.040 4.170 0.001 0.000 0.286 514 I C -0.104 175.663 176.117 -0.582 0.000 1.002 514 I CA -0.122 60.859 61.300 -0.531 0.000 1.135 514 I CB 1.244 38.869 38.000 -0.626 0.000 1.288 514 I HN 0.913 nan 8.210 nan 0.000 0.448 515 A N 5.117 127.503 122.820 -0.723 0.000 2.437 515 A HA 0.960 5.281 4.320 0.001 0.000 0.292 515 A C -0.895 176.331 177.584 -0.596 0.000 1.173 515 A CA -0.298 51.287 52.037 -0.753 0.000 0.785 515 A CB 1.858 20.134 19.000 -1.207 0.000 1.351 515 A HN 0.767 nan 8.150 nan 0.000 0.431 516 S N -1.285 114.312 115.700 -0.172 0.000 2.587 516 S HA 0.740 5.210 4.470 0.001 0.000 0.269 516 S C -1.313 173.520 174.600 0.388 0.000 1.154 516 S CA -0.588 57.692 58.200 0.134 0.000 0.824 516 S CB 1.095 64.292 63.200 -0.005 0.000 1.118 516 S HN 1.898 nan 8.310 nan 0.000 0.462 517 Y N 0.253 120.644 120.300 0.151 0.000 2.604 517 Y HA 0.510 5.060 4.550 0.001 0.000 0.331 517 Y C -2.810 173.079 175.900 -0.019 0.000 1.158 517 Y CA -1.754 56.393 58.100 0.080 0.000 1.056 517 Y CB 1.851 40.350 38.460 0.066 0.000 1.330 517 Y HN 0.489 nan 8.280 nan 0.000 0.457 518 P HA -0.052 nan 4.420 nan 0.000 0.222 518 P C -0.523 176.500 177.300 -0.461 0.000 1.147 518 P CA 1.672 64.446 63.100 -0.544 0.000 0.790 518 P CB 0.178 31.395 31.700 -0.805 0.000 0.780 519 H N -0.629 118.383 119.070 -0.097 0.000 2.499 519 H HA 0.238 4.795 4.556 0.001 0.000 0.340 519 H C -0.050 175.298 175.328 0.032 0.000 1.148 519 H CA -0.771 55.281 56.048 0.008 0.000 1.215 519 H CB 1.186 30.964 29.762 0.026 0.000 1.529 519 H HN 0.037 nan 8.280 nan 0.000 0.510 520 E N 2.670 122.928 120.200 0.097 0.000 2.299 520 E HA 0.212 4.563 4.350 0.001 0.000 0.272 520 E C -0.142 176.386 176.600 -0.120 0.000 1.043 520 E CA -0.500 55.909 56.400 0.015 0.000 0.895 520 E CB 0.526 30.237 29.700 0.018 0.000 1.011 520 E HN 0.391 nan 8.360 nan 0.000 0.432 521 V N 1.567 121.344 119.914 -0.228 0.000 3.134 521 V HA 0.363 4.484 4.120 0.001 0.000 0.313 521 V C 0.004 176.009 176.094 -0.149 0.000 1.069 521 V CA -0.846 61.201 62.300 -0.422 0.000 1.048 521 V CB 1.703 33.096 31.823 -0.715 0.000 1.119 521 V HN 0.639 nan 8.190 nan 0.000 0.461 522 D N 1.166 121.592 120.400 0.044 0.000 2.473 522 D HA 0.595 5.236 4.640 0.001 0.000 0.226 522 D C 0.952 177.150 176.300 -0.169 0.000 1.089 522 D CA 0.188 54.178 54.000 -0.017 0.000 0.883 522 D CB 1.212 42.034 40.800 0.036 0.000 1.029 522 D HN 0.852 nan 8.370 nan 0.000 0.517 523 A N 3.057 125.759 122.820 -0.198 0.000 1.927 523 A HA -0.253 4.067 4.320 0.001 0.000 0.220 523 A C 2.196 179.253 177.584 -0.878 0.000 1.185 523 A CA 2.248 54.088 52.037 -0.329 0.000 0.639 523 A CB -0.538 18.416 19.000 -0.078 0.000 0.820 523 A HN 0.549 nan 8.150 nan 0.000 0.451 524 S N -0.418 114.634 115.700 -1.080 0.000 2.354 524 S HA -0.171 4.299 4.470 0.001 0.000 0.219 524 S C 1.949 176.210 174.600 -0.565 0.000 1.035 524 S CA 1.675 59.202 58.200 -1.122 0.000 1.037 524 S CB -0.603 62.312 63.200 -0.475 0.000 0.956 524 S HN 0.492 nan 8.310 nan 0.000 0.428 525 L N 0.942 121.940 121.223 -0.374 0.000 2.081 525 L HA -0.156 4.185 4.340 0.001 0.000 0.212 525 L C 2.539 179.216 176.870 -0.323 0.000 1.080 525 L CA 1.332 55.986 54.840 -0.309 0.000 0.754 525 L CB -0.536 41.321 42.059 -0.337 0.000 0.893 525 L HN 0.390 nan 8.230 nan 0.000 0.433 526 L N -0.901 120.108 121.223 -0.357 0.000 2.056 526 L HA -0.163 4.178 4.340 0.001 0.000 0.207 526 L C 2.838 179.502 176.870 -0.344 0.000 1.078 526 L CA 1.038 55.682 54.840 -0.326 0.000 0.749 526 L CB -0.707 41.160 42.059 -0.319 0.000 0.901 526 L HN 0.233 nan 8.230 nan 0.000 0.433 527 A N -0.592 121.963 122.820 -0.442 0.000 1.972 527 A HA -0.274 4.047 4.320 0.001 0.000 0.219 527 A C 2.257 179.750 177.584 -0.151 0.000 1.169 527 A CA 1.848 53.686 52.037 -0.331 0.000 0.635 527 A CB -0.470 18.385 19.000 -0.241 0.000 0.810 527 A HN 0.516 nan 8.150 nan 0.000 0.446 528 Q N -0.396 119.312 119.800 -0.155 0.000 1.994 528 Q HA -0.118 4.223 4.340 0.001 0.000 0.198 528 Q C 2.223 178.189 176.000 -0.056 0.000 0.976 528 Q CA 1.683 57.436 55.803 -0.084 0.000 0.828 528 Q CB -0.194 28.485 28.738 -0.098 0.000 0.894 528 Q HN 0.545 nan 8.270 nan 0.000 0.432 529 S N 0.294 115.942 115.700 -0.087 0.000 2.407 529 S HA -0.194 4.277 4.470 0.001 0.000 0.235 529 S C 1.726 176.396 174.600 0.117 0.000 1.036 529 S CA 1.041 59.232 58.200 -0.014 0.000 1.013 529 S CB -0.736 62.420 63.200 -0.074 0.000 0.820 529 S HN 0.689 nan 8.310 nan 0.000 0.476 530 G N 1.761 110.591 108.800 0.051 0.000 2.446 530 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 530 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 530 G C 1.338 176.361 174.900 0.205 0.000 1.168 530 G CA 1.029 46.212 45.100 0.140 0.000 0.771 530 G HN 0.471 nan 8.290 nan 0.000 0.551 531 K N 0.445 120.911 120.400 0.109 0.000 2.077 531 K HA -0.177 4.144 4.320 0.001 0.000 0.213 531 K C 2.148 178.801 176.600 0.088 0.000 1.051 531 K CA 1.687 58.029 56.287 0.091 0.000 0.929 531 K CB -0.251 32.275 32.500 0.042 0.000 0.715 531 K HN 0.190 nan 8.250 nan 0.000 0.451 532 D N -0.096 120.335 120.400 0.052 0.000 2.190 532 D HA -0.169 4.472 4.640 0.001 0.000 0.200 532 D C 1.206 177.396 176.300 -0.183 0.000 0.992 532 D CA 1.392 55.331 54.000 -0.101 0.000 0.854 532 D CB -0.217 40.450 40.800 -0.222 0.000 0.936 532 D HN 0.376 nan 8.370 nan 0.000 0.462 533 Y N -0.332 120.042 120.300 0.124 0.000 2.495 533 Y HA 0.329 4.880 4.550 0.001 0.000 0.293 533 Y C 1.690 177.750 175.900 0.267 0.000 1.186 533 Y CA 0.018 58.249 58.100 0.219 0.000 1.266 533 Y CB 0.300 39.016 38.460 0.427 0.000 1.101 533 Y HN -0.017 nan 8.280 nan 0.000 0.517 534 G N 0.814 109.764 108.800 0.250 0.000 2.160 534 G HA2 -0.289 3.672 3.960 0.001 0.000 0.251 534 G HA3 -0.289 3.672 3.960 0.001 0.000 0.251 534 G C -0.276 174.744 174.900 0.201 0.000 1.008 534 G CA -0.004 45.213 45.100 0.195 0.000 0.724 534 G HN 0.324 nan 8.290 nan 0.000 0.514 535 L N 0.333 121.696 121.223 0.234 0.000 2.317 535 L HA 0.596 4.937 4.340 0.001 0.000 0.281 535 L C 0.178 177.178 176.870 0.216 0.000 1.024 535 L CA -0.762 54.218 54.840 0.233 0.000 0.810 535 L CB 2.101 44.336 42.059 0.293 0.000 1.240 535 L HN 0.052 nan 8.230 nan 0.000 0.427 536 T N 3.955 118.653 114.554 0.240 0.000 2.853 536 T HA 0.533 4.883 4.350 0.001 0.000 0.317 536 T C -0.108 174.717 174.700 0.208 0.000 1.059 536 T CA -0.313 61.898 62.100 0.185 0.000 0.954 536 T CB 0.384 69.338 68.868 0.144 0.000 0.994 536 T HN 0.374 nan 8.240 nan 0.000 0.479 537 M N 3.304 122.972 119.600 0.112 0.000 2.336 537 M HA 0.502 4.982 4.480 0.001 0.000 0.342 537 M C 0.364 176.739 176.300 0.125 0.000 1.128 537 M CA -0.600 54.718 55.300 0.030 0.000 1.016 537 M CB 1.774 34.197 32.600 -0.294 0.000 1.665 537 M HN 0.596 nan 8.290 nan 0.000 0.445 538 T N 0.397 115.034 114.554 0.139 0.000 2.906 538 T HA 0.676 5.027 4.350 0.001 0.000 0.295 538 T C -2.975 171.740 174.700 0.024 0.000 1.075 538 T CA -2.377 59.737 62.100 0.025 0.000 1.005 538 T CB 1.578 70.423 68.868 -0.039 0.000 1.136 538 T HN 0.224 nan 8.240 nan 0.000 0.498 539 P HA 0.300 nan 4.420 nan 0.000 0.265 539 P C -0.007 177.290 177.300 -0.005 0.000 1.187 539 P CA -0.025 62.952 63.100 -0.206 0.000 0.766 539 P CB -0.007 31.406 31.700 -0.479 0.000 0.820 540 A N 3.081 125.953 122.820 0.086 0.000 2.547 540 A HA 0.034 4.354 4.320 0.001 0.000 0.233 540 A C 0.624 178.206 177.584 -0.003 0.000 1.067 540 A CA 0.377 52.430 52.037 0.027 0.000 0.763 540 A CB -0.836 18.171 19.000 0.011 0.000 1.007 540 A HN 0.666 nan 8.150 nan 0.000 0.506 541 D N -0.042 120.346 120.400 -0.021 0.000 2.686 541 D HA -0.164 4.477 4.640 0.001 0.000 0.235 541 D C 0.053 176.350 176.300 -0.004 0.000 1.160 541 D CA 1.747 55.740 54.000 -0.012 0.000 0.645 541 D CB -1.378 39.431 40.800 0.016 0.000 1.039 541 D HN 0.784 nan 8.370 nan 0.000 0.423 542 K N -1.553 118.839 120.400 -0.015 0.000 3.100 542 K HA -0.247 4.074 4.320 0.001 0.000 0.261 542 K C -0.070 176.511 176.600 -0.031 0.000 0.920 542 K CA 0.831 57.105 56.287 -0.022 0.000 0.683 542 K CB -1.447 31.048 32.500 -0.008 0.000 1.349 542 K HN 0.279 nan 8.250 nan 0.000 0.473 543 S N -0.229 115.443 115.700 -0.047 0.000 2.617 543 S HA 0.392 4.863 4.470 0.001 0.000 0.269 543 S C 1.694 176.236 174.600 -0.096 0.000 1.292 543 S CA -0.272 57.898 58.200 -0.051 0.000 1.010 543 S CB 1.622 64.800 63.200 -0.037 0.000 0.944 543 S HN 0.434 nan 8.310 nan 0.000 0.536 544 A N 2.180 124.957 122.820 -0.073 0.000 1.855 544 A HA 0.075 4.396 4.320 0.001 0.000 0.215 544 A C 1.086 178.587 177.584 -0.137 0.000 1.191 544 A CA 1.127 53.113 52.037 -0.085 0.000 0.613 544 A CB -0.654 18.320 19.000 -0.045 0.000 0.829 544 A HN 0.730 nan 8.150 nan 0.000 0.442 545 T N -1.973 112.508 114.554 -0.122 0.000 2.930 545 T HA 0.594 4.945 4.350 0.001 0.000 0.290 545 T C -0.691 173.920 174.700 -0.147 0.000 1.052 545 T CA -0.595 61.425 62.100 -0.133 0.000 1.017 545 T CB 1.075 69.933 68.868 -0.016 0.000 1.137 545 T HN 0.049 nan 8.240 nan 0.000 0.511 546 F N 2.259 122.219 119.950 0.017 0.000 2.472 546 F HA 0.360 4.888 4.527 0.001 0.000 0.364 546 F C 1.179 176.995 175.800 0.027 0.000 1.090 546 F CA -0.150 57.865 58.000 0.025 0.000 1.188 546 F CB 0.354 39.366 39.000 0.020 0.000 1.105 546 F HN 0.353 nan 8.300 nan 0.000 0.536 547 E N 0.771 121.092 120.200 0.202 0.000 2.370 547 E HA 0.345 4.696 4.350 0.001 0.000 0.259 547 E C -0.585 176.086 176.600 0.119 0.000 0.947 547 E CA -0.947 55.529 56.400 0.127 0.000 0.809 547 E CB 0.961 30.709 29.700 0.080 0.000 1.300 547 E HN 0.246 nan 8.360 nan 0.000 0.419 548 T N 1.000 115.601 114.554 0.079 0.000 2.799 548 T HA 0.201 4.552 4.350 0.001 0.000 0.296 548 T C 0.127 174.849 174.700 0.036 0.000 0.947 548 T CA -0.289 61.846 62.100 0.057 0.000 1.141 548 T CB 0.169 69.061 68.868 0.041 0.000 0.891 548 T HN 0.078 nan 8.240 nan 0.000 0.533 549 V N 5.808 125.731 119.914 0.015 0.000 2.455 549 V HA 0.352 4.472 4.120 0.001 0.000 0.273 549 V C 1.001 177.022 176.094 -0.122 0.000 1.045 549 V CA -0.574 61.696 62.300 -0.050 0.000 0.976 549 V CB 0.403 32.168 31.823 -0.097 0.000 0.993 549 V HN 1.089 nan 8.190 nan 0.000 0.475 550 T N 0.166 114.659 114.554 -0.100 0.000 2.927 550 T HA 0.389 4.739 4.350 0.001 0.000 0.286 550 T C 0.369 174.974 174.700 -0.159 0.000 1.040 550 T CA -0.653 61.381 62.100 -0.110 0.000 1.010 550 T CB 1.211 70.090 68.868 0.019 0.000 1.177 550 T HN 0.477 nan 8.240 nan 0.000 0.546 551 W N -0.102 121.195 121.300 -0.005 0.000 2.465 551 W HA 0.098 4.758 4.660 0.001 0.000 0.268 551 W C 2.522 179.100 176.519 0.098 0.000 1.242 551 W CA 0.338 57.673 57.345 -0.016 0.000 1.248 551 W CB 0.109 29.542 29.460 -0.044 0.000 1.118 551 W HN 0.766 nan 8.180 nan 0.000 0.587 552 E N 0.860 121.229 120.200 0.281 0.000 2.208 552 E HA -0.165 4.185 4.350 0.001 0.000 0.193 552 E C 1.317 178.081 176.600 0.274 0.000 0.988 552 E CA 1.379 57.924 56.400 0.241 0.000 0.828 552 E CB -0.360 29.433 29.700 0.155 0.000 0.763 552 E HN 0.629 nan 8.360 nan 0.000 0.478 553 N N -0.530 118.313 118.700 0.238 0.000 2.181 553 N HA 0.007 4.748 4.740 0.001 0.000 0.207 553 N C 0.607 176.261 175.510 0.239 0.000 1.182 553 N CA -0.187 53.053 53.050 0.317 0.000 0.893 553 N CB 0.631 39.234 38.487 0.193 0.000 1.032 553 N HN -0.145 nan 8.380 nan 0.000 0.513 554 V N 2.528 122.501 119.914 0.098 0.000 2.843 554 V HA 0.229 4.349 4.120 0.001 0.000 0.305 554 V C -0.017 176.108 176.094 0.052 0.000 1.065 554 V CA 0.512 62.786 62.300 -0.042 0.000 1.116 554 V CB 1.176 32.813 31.823 -0.309 0.000 0.968 554 V HN 0.489 nan 8.190 nan 0.000 0.487 555 T N 3.773 118.302 114.554 -0.041 0.000 2.881 555 T HA 0.472 4.823 4.350 0.001 0.000 0.290 555 T C -0.111 174.733 174.700 0.239 0.000 1.000 555 T CA -0.429 61.643 62.100 -0.048 0.000 0.978 555 T CB 1.474 70.049 68.868 -0.488 0.000 0.997 555 T HN 0.567 nan 8.240 nan 0.000 0.443 556 F N 2.610 122.739 119.950 0.298 0.000 2.532 556 F HA 0.528 5.056 4.527 0.001 0.000 0.278 556 F C 0.431 176.365 175.800 0.224 0.000 0.975 556 F CA -0.209 57.936 58.000 0.242 0.000 1.292 556 F CB -0.360 38.793 39.000 0.254 0.000 1.112 556 F HN 0.565 nan 8.300 nan 0.000 0.703 557 L N 0.412 121.639 121.223 0.005 0.000 2.657 557 L HA 0.213 4.553 4.340 0.001 0.000 0.152 557 L C 1.648 178.378 176.870 -0.232 0.000 1.773 557 L CA -0.351 54.255 54.840 -0.391 0.000 3.024 557 L CB -0.287 41.512 42.059 -0.434 0.000 3.023 557 L HN -0.288 nan 8.230 nan 0.000 0.780 558 K N 0.012 120.266 120.400 -0.243 0.000 2.525 558 K HA 0.067 4.388 4.320 0.001 0.000 0.192 558 K C -0.018 176.478 176.600 -0.174 0.000 1.029 558 K CA 0.181 56.358 56.287 -0.184 0.000 1.029 558 K CB 0.075 32.480 32.500 -0.157 0.000 0.814 558 K HN 0.256 nan 8.250 nan 0.000 0.503 559 R N -0.016 120.382 120.500 -0.169 0.000 2.459 559 R HA 0.230 4.571 4.340 0.001 0.000 0.281 559 R C -0.243 176.044 176.300 -0.021 0.000 1.050 559 R CA -0.439 55.576 56.100 -0.141 0.000 1.055 559 R CB 0.552 30.619 30.300 -0.389 0.000 1.045 559 R HN -0.119 nan 8.270 nan 0.000 0.495 560 F N 0.718 120.703 119.950 0.057 0.000 2.375 560 F HA 0.360 4.887 4.527 0.001 0.000 0.317 560 F C 0.137 176.075 175.800 0.231 0.000 1.124 560 F CA -0.240 57.891 58.000 0.218 0.000 1.050 560 F CB 0.676 39.765 39.000 0.148 0.000 1.314 560 F HN 0.256 nan 8.300 nan 0.000 0.511 561 F N 1.736 122.054 119.950 0.614 0.000 2.427 561 F HA 0.554 5.082 4.527 0.001 0.000 0.348 561 F C -0.322 175.702 175.800 0.373 0.000 1.125 561 F CA -0.793 57.526 58.000 0.532 0.000 0.989 561 F CB 1.034 40.302 39.000 0.447 0.000 1.165 561 F HN 0.036 nan 8.300 nan 0.000 0.442 562 R N 2.130 122.895 120.500 0.442 0.000 2.538 562 R HA 0.660 5.001 4.340 0.001 0.000 0.292 562 R C -0.601 175.907 176.300 0.346 0.000 1.008 562 R CA -1.097 55.188 56.100 0.308 0.000 0.896 562 R CB 1.884 32.286 30.300 0.171 0.000 1.187 562 R HN 0.693 nan 8.270 nan 0.000 0.440 563 A N 1.864 124.847 122.820 0.271 0.000 2.425 563 A HA 0.147 4.467 4.320 0.001 0.000 0.242 563 A C 0.027 177.827 177.584 0.360 0.000 1.077 563 A CA -0.103 52.095 52.037 0.268 0.000 0.781 563 A CB 0.202 19.284 19.000 0.136 0.000 1.020 563 A HN 0.629 nan 8.150 nan 0.000 0.494 564 D N -0.040 120.624 120.400 0.441 0.000 2.313 564 D HA 0.200 4.841 4.640 0.001 0.000 0.247 564 D C 1.015 177.496 176.300 0.301 0.000 1.094 564 D CA 0.021 54.360 54.000 0.564 0.000 0.925 564 D CB 0.711 41.949 40.800 0.729 0.000 1.188 564 D HN 0.574 nan 8.370 nan 0.000 0.430 565 E N 1.154 121.508 120.200 0.256 0.000 2.152 565 E HA -0.095 4.256 4.350 0.001 0.000 0.192 565 E C 1.312 177.945 176.600 0.055 0.000 0.983 565 E CA 0.698 57.164 56.400 0.109 0.000 0.818 565 E CB 0.262 30.000 29.700 0.063 0.000 0.758 565 E HN 0.437 nan 8.360 nan 0.000 0.467 566 K N -0.043 120.438 120.400 0.136 0.000 2.305 566 K HA -0.007 4.313 4.320 0.001 0.000 0.199 566 K C -0.106 176.205 176.600 -0.483 0.000 1.047 566 K CA 0.630 56.835 56.287 -0.136 0.000 0.976 566 K CB 0.395 32.873 32.500 -0.035 0.000 0.765 566 K HN 0.123 nan 8.250 nan 0.000 0.474 567 Y N -0.118 120.174 120.300 -0.013 0.000 2.563 567 Y HA 0.227 4.778 4.550 0.001 0.000 0.351 567 Y C -2.155 173.531 175.900 -0.357 0.000 1.087 567 Y CA -2.483 55.476 58.100 -0.234 0.000 1.272 567 Y CB 1.262 39.617 38.460 -0.176 0.000 1.095 567 Y HN -0.070 nan 8.280 nan 0.000 0.620 568 P HA -0.268 nan 4.420 nan 0.000 0.222 568 P C 0.682 177.819 177.300 -0.271 0.000 1.152 568 P CA 1.978 64.892 63.100 -0.310 0.000 0.838 568 P CB -0.177 31.282 31.700 -0.402 0.000 0.771 569 F N -3.905 116.068 119.950 0.039 0.000 2.695 569 F HA 0.260 4.788 4.527 0.001 0.000 0.303 569 F C 0.883 176.653 175.800 -0.051 0.000 1.091 569 F CA -0.580 57.404 58.000 -0.026 0.000 1.300 569 F CB -0.631 38.333 39.000 -0.060 0.000 1.071 569 F HN -0.281 nan 8.300 nan 0.000 0.578 570 L N 3.606 124.878 121.223 0.081 0.000 2.290 570 L HA 0.315 4.655 4.340 0.001 0.000 0.284 570 L C -0.379 176.643 176.870 0.253 0.000 1.078 570 L CA -0.561 54.272 54.840 -0.012 0.000 0.815 570 L CB 1.083 42.968 42.059 -0.290 0.000 1.162 570 L HN 0.037 nan 8.230 nan 0.000 0.435 571 I N 3.033 123.819 120.570 0.360 0.000 2.362 571 I HA 0.277 4.448 4.170 0.001 0.000 0.289 571 I C 0.318 176.724 176.117 0.482 0.000 0.994 571 I CA -0.563 60.996 61.300 0.431 0.000 1.158 571 I CB 1.165 39.417 38.000 0.421 0.000 1.315 571 I HN 0.462 nan 8.210 nan 0.000 0.451 572 H N 6.945 126.205 119.070 0.317 0.000 2.722 572 H HA 0.216 4.773 4.556 0.001 0.000 0.328 572 H C -2.123 173.042 175.328 -0.272 0.000 1.067 572 H CA -1.291 54.705 56.048 -0.087 0.000 1.447 572 H CB 1.019 30.683 29.762 -0.163 0.000 1.469 572 H HN 0.233 nan 8.280 nan 0.000 0.544 573 P HA 0.072 nan 4.420 nan 0.000 0.291 573 P C -0.371 176.474 177.300 -0.758 0.000 1.378 573 P CA -0.499 61.913 63.100 -1.147 0.000 0.853 573 P CB 0.634 31.165 31.700 -1.948 0.000 1.002 574 V N 5.445 125.159 119.914 -0.332 0.000 2.339 574 V HA 0.210 4.331 4.120 0.001 0.000 0.261 574 V C 0.678 176.712 176.094 -0.100 0.000 1.058 574 V CA -0.352 61.835 62.300 -0.188 0.000 0.897 574 V CB 0.447 32.242 31.823 -0.046 0.000 1.052 574 V HN 0.512 nan 8.190 nan 0.000 0.480 575 M N 9.530 129.006 119.600 -0.206 0.000 2.162 575 M HA 0.448 4.929 4.480 0.001 0.000 0.356 575 M C -2.549 173.688 176.300 -0.105 0.000 1.303 575 M CA -1.584 53.622 55.300 -0.158 0.000 1.116 575 M CB 0.942 33.401 32.600 -0.235 0.000 1.632 575 M HN 0.235 nan 8.290 nan 0.000 0.469 576 P HA 0.044 nan 4.420 nan 0.000 0.267 576 P C 0.527 177.766 177.300 -0.101 0.000 1.205 576 P CA -0.178 62.915 63.100 -0.011 0.000 0.765 576 P CB 0.480 32.232 31.700 0.086 0.000 0.828 577 M N 2.835 122.358 119.600 -0.129 0.000 2.144 577 M HA -0.209 4.272 4.480 0.001 0.000 0.260 577 M C 1.840 178.048 176.300 -0.154 0.000 1.067 577 M CA 1.905 57.053 55.300 -0.253 0.000 1.095 577 M CB -1.236 31.282 32.600 -0.137 0.000 1.365 577 M HN 0.445 nan 8.290 nan 0.000 0.406 578 K N 0.257 120.705 120.400 0.080 0.000 2.059 578 K HA -0.222 4.099 4.320 0.001 0.000 0.212 578 K C 1.799 178.432 176.600 0.055 0.000 1.050 578 K CA 1.613 57.994 56.287 0.157 0.000 0.927 578 K CB 0.014 32.572 32.500 0.096 0.000 0.714 578 K HN 0.260 nan 8.250 nan 0.000 0.447 579 E N 0.515 120.703 120.200 -0.020 0.000 2.118 579 E HA -0.194 4.157 4.350 0.001 0.000 0.195 579 E C 2.088 178.634 176.600 -0.090 0.000 0.992 579 E CA 1.346 57.720 56.400 -0.044 0.000 0.804 579 E CB -0.182 29.478 29.700 -0.067 0.000 0.741 579 E HN 0.493 nan 8.360 nan 0.000 0.458 580 I N 0.018 120.461 120.570 -0.211 0.000 2.252 580 I HA -0.238 3.932 4.170 0.001 0.000 0.245 580 I C 2.218 178.157 176.117 -0.297 0.000 1.102 580 I CA 1.084 62.197 61.300 -0.312 0.000 1.385 580 I CB -0.484 37.190 38.000 -0.544 0.000 1.064 580 I HN 0.119 nan 8.210 nan 0.000 0.414 581 H N 0.649 119.612 119.070 -0.178 0.000 2.352 581 H HA -0.145 4.412 4.556 0.001 0.000 0.299 581 H C 2.268 177.564 175.328 -0.054 0.000 1.097 581 H CA 1.333 57.270 56.048 -0.185 0.000 1.311 581 H CB 0.065 29.804 29.762 -0.039 0.000 1.377 581 H HN 0.225 nan 8.280 nan 0.000 0.504 582 E N 0.211 120.488 120.200 0.128 0.000 2.038 582 E HA -0.198 4.152 4.350 0.001 0.000 0.195 582 E C 2.495 179.228 176.600 0.221 0.000 1.000 582 E CA 1.252 57.750 56.400 0.163 0.000 0.803 582 E CB -0.510 29.259 29.700 0.116 0.000 0.750 582 E HN 0.302 nan 8.360 nan 0.000 0.448 583 S N 0.591 116.377 115.700 0.143 0.000 2.382 583 S HA -0.106 4.365 4.470 0.001 0.000 0.228 583 S C 2.069 176.846 174.600 0.296 0.000 1.027 583 S CA 0.782 59.105 58.200 0.205 0.000 0.991 583 S CB -0.210 63.062 63.200 0.120 0.000 0.823 583 S HN 0.284 nan 8.310 nan 0.000 0.469 584 I N 0.877 121.518 120.570 0.118 0.000 2.614 584 I HA -0.056 4.114 4.170 0.001 0.000 0.258 584 I C 2.183 178.486 176.117 0.310 0.000 1.189 584 I CA 0.841 62.200 61.300 0.097 0.000 1.462 584 I CB -0.092 37.764 38.000 -0.240 0.000 1.092 584 I HN 0.264 nan 8.210 nan 0.000 0.442 585 R N -0.406 120.260 120.500 0.275 0.000 2.280 585 R HA -0.064 4.276 4.340 0.001 0.000 0.207 585 R C -0.586 175.701 176.300 -0.021 0.000 1.043 585 R CA 0.702 56.887 56.100 0.142 0.000 1.006 585 R CB -0.027 30.238 30.300 -0.057 0.000 0.885 585 R HN 0.257 nan 8.270 nan 0.000 0.467 586 W N -1.435 120.031 121.300 0.278 0.000 2.962 586 W HA 0.458 5.119 4.660 0.001 0.000 0.341 586 W C -0.200 176.402 176.519 0.137 0.000 1.155 586 W CA -0.668 56.800 57.345 0.205 0.000 1.165 586 W CB 1.577 31.127 29.460 0.150 0.000 1.435 586 W HN -0.392 nan 8.180 nan 0.000 0.546 587 T N 0.188 114.932 114.554 0.317 0.000 2.889 587 T HA 0.305 4.656 4.350 0.001 0.000 0.315 587 T C -0.083 174.667 174.700 0.084 0.000 1.291 587 T CA -0.656 61.511 62.100 0.112 0.000 1.028 587 T CB 1.402 70.333 68.868 0.105 0.000 1.235 587 T HN 0.539 nan 8.240 nan 0.000 0.491 588 K N 1.198 121.601 120.400 0.005 0.000 2.353 588 K HA 0.227 4.548 4.320 0.001 0.000 0.195 588 K C -0.524 176.079 176.600 0.005 0.000 1.031 588 K CA -0.048 56.245 56.287 0.010 0.000 1.079 588 K CB 0.460 32.949 32.500 -0.019 0.000 0.857 588 K HN 0.416 nan 8.250 nan 0.000 0.535 589 D N 0.204 120.607 120.400 0.004 0.000 2.318 589 D HA 0.141 4.781 4.640 0.001 0.000 0.233 589 D C -2.557 173.757 176.300 0.023 0.000 1.348 589 D CA -1.776 52.230 54.000 0.010 0.000 0.983 589 D CB 1.559 42.361 40.800 0.003 0.000 1.416 589 D HN -0.253 nan 8.370 nan 0.000 0.558 590 P HA 0.033 nan 4.420 nan 0.000 0.242 590 P C 0.521 177.843 177.300 0.036 0.000 1.198 590 P CA 0.508 63.630 63.100 0.036 0.000 0.756 590 P CB 0.087 31.796 31.700 0.015 0.000 0.911 591 R N -0.560 119.960 120.500 0.033 0.000 2.426 591 R HA 0.203 4.543 4.340 0.001 0.000 0.263 591 R C 0.343 176.670 176.300 0.046 0.000 0.961 591 R CA 0.052 56.171 56.100 0.032 0.000 1.086 591 R CB -0.056 30.257 30.300 0.022 0.000 1.186 591 R HN 0.126 nan 8.270 nan 0.000 0.537 592 N N -1.135 117.605 118.700 0.066 0.000 2.116 592 N HA 0.019 4.760 4.740 0.001 0.000 0.230 592 N C 0.551 176.147 175.510 0.144 0.000 1.326 592 N CA 0.075 53.178 53.050 0.087 0.000 0.867 592 N CB 0.980 39.509 38.487 0.070 0.000 1.174 592 N HN -0.082 nan 8.380 nan 0.000 0.506 593 T N 1.065 115.712 114.554 0.155 0.000 2.685 593 T HA -0.260 4.091 4.350 0.001 0.000 0.268 593 T C 1.890 176.705 174.700 0.191 0.000 1.034 593 T CA 1.755 63.991 62.100 0.227 0.000 1.149 593 T CB 0.029 69.021 68.868 0.207 0.000 0.860 593 T HN 0.230 nan 8.240 nan 0.000 0.449 594 Q N 1.291 121.171 119.800 0.133 0.000 2.045 594 Q HA -0.164 4.177 4.340 0.001 0.000 0.206 594 Q C 1.754 177.812 176.000 0.098 0.000 0.991 594 Q CA 2.081 57.944 55.803 0.101 0.000 0.851 594 Q CB -0.457 28.325 28.738 0.073 0.000 0.911 594 Q HN 0.467 nan 8.270 nan 0.000 0.418 595 D N -1.323 119.141 120.400 0.106 0.000 2.149 595 D HA -0.135 4.506 4.640 0.001 0.000 0.201 595 D C 1.674 178.060 176.300 0.143 0.000 0.972 595 D CA 1.281 55.343 54.000 0.103 0.000 0.835 595 D CB -0.396 40.458 40.800 0.090 0.000 0.966 595 D HN 0.502 nan 8.370 nan 0.000 0.476 596 H N 0.447 119.557 119.070 0.066 0.000 2.284 596 H HA -0.034 4.522 4.556 0.001 0.000 0.304 596 H C 1.923 177.294 175.328 0.071 0.000 1.069 596 H CA 1.041 57.131 56.048 0.071 0.000 1.327 596 H CB 0.143 29.960 29.762 0.092 0.000 1.387 596 H HN -0.101 nan 8.280 nan 0.000 0.498 597 V N 1.410 121.305 119.914 -0.031 0.000 2.407 597 V HA -0.254 3.867 4.120 0.001 0.000 0.248 597 V C 2.720 178.800 176.094 -0.023 0.000 1.055 597 V CA 2.025 64.254 62.300 -0.119 0.000 1.049 597 V CB -0.693 31.079 31.823 -0.086 0.000 0.662 597 V HN 0.318 nan 8.190 nan 0.000 0.455 598 R N 1.136 121.655 120.500 0.031 0.000 2.103 598 R HA -0.181 4.160 4.340 0.001 0.000 0.234 598 R C 2.465 178.802 176.300 0.063 0.000 1.132 598 R CA 2.425 58.559 56.100 0.057 0.000 0.925 598 R CB -1.056 29.277 30.300 0.056 0.000 0.842 598 R HN 0.455 nan 8.270 nan 0.000 0.430 599 S N 0.460 116.188 115.700 0.048 0.000 2.392 599 S HA -0.162 4.309 4.470 0.001 0.000 0.232 599 S C 1.845 176.460 174.600 0.025 0.000 1.041 599 S CA 1.611 59.836 58.200 0.042 0.000 1.026 599 S CB -0.363 62.870 63.200 0.055 0.000 0.845 599 S HN 0.302 nan 8.310 nan 0.000 0.465 600 L N 0.456 121.676 121.223 -0.005 0.000 2.093 600 L HA -0.126 4.215 4.340 0.001 0.000 0.208 600 L C 2.576 179.495 176.870 0.083 0.000 1.085 600 L CA 0.794 55.623 54.840 -0.019 0.000 0.755 600 L CB -0.709 41.312 42.059 -0.062 0.000 0.904 600 L HN 0.420 nan 8.230 nan 0.000 0.435 601 C N 0.076 119.517 119.300 0.236 0.000 2.413 601 C HA -0.167 4.294 4.460 0.001 0.000 0.276 601 C C 2.634 177.806 174.990 0.303 0.000 1.248 601 C CA 0.452 59.726 59.018 0.426 0.000 1.742 601 C CB -0.897 27.120 27.740 0.463 0.000 2.017 601 C HN 0.442 nan 8.230 nan 0.000 0.481 602 L N 0.180 121.526 121.223 0.204 0.000 2.447 602 L HA -0.136 4.205 4.340 0.001 0.000 0.225 602 L C 2.151 179.140 176.870 0.199 0.000 1.148 602 L CA 0.989 55.981 54.840 0.254 0.000 0.808 602 L CB -0.501 41.641 42.059 0.138 0.000 0.928 602 L HN 0.478 nan 8.230 nan 0.000 0.448 603 L N -1.598 119.652 121.223 0.045 0.000 2.349 603 L HA 0.140 4.481 4.340 0.001 0.000 0.200 603 L C 2.785 179.533 176.870 -0.203 0.000 1.064 603 L CA 0.633 55.409 54.840 -0.108 0.000 0.821 603 L CB -0.608 41.356 42.059 -0.158 0.000 1.027 603 L HN 0.088 nan 8.230 nan 0.000 0.476 604 A N 1.394 124.103 122.820 -0.185 0.000 1.908 604 A HA -0.235 4.085 4.320 0.001 0.000 0.218 604 A C 2.115 179.624 177.584 -0.125 0.000 1.181 604 A CA 1.859 53.731 52.037 -0.276 0.000 0.627 604 A CB -1.065 17.600 19.000 -0.558 0.000 0.818 604 A HN 0.728 nan 8.150 nan 0.000 0.445 605 W N -0.045 121.111 121.300 -0.241 0.000 2.364 605 W HA -0.179 4.482 4.660 0.001 0.000 0.281 605 W C 1.185 177.535 176.519 -0.282 0.000 1.219 605 W CA 1.330 58.404 57.345 -0.452 0.000 1.220 605 W CB -1.171 27.634 29.460 -1.092 0.000 1.127 605 W HN 0.536 nan 8.180 nan 0.000 0.556 606 H N 1.186 119.524 119.070 -1.219 0.000 2.560 606 H HA -0.048 4.509 4.556 0.001 0.000 0.283 606 H C 1.299 176.285 175.328 -0.570 0.000 1.028 606 H CA 1.045 56.424 56.048 -1.115 0.000 1.221 606 H CB -0.366 28.784 29.762 -1.020 0.000 1.363 606 H HN 0.290 nan 8.280 nan 0.000 0.594 607 N N 0.531 119.074 118.700 -0.262 0.000 2.521 607 N HA 0.008 4.749 4.740 0.001 0.000 0.188 607 N C 0.769 176.203 175.510 -0.126 0.000 1.146 607 N CA 0.800 53.748 53.050 -0.171 0.000 0.893 607 N CB 0.744 39.151 38.487 -0.133 0.000 0.975 607 N HN 0.438 nan 8.380 nan 0.000 0.451 608 G N 0.659 109.402 108.800 -0.095 0.000 2.576 608 G HA2 -0.154 3.807 3.960 0.001 0.000 0.686 608 G HA3 -0.154 3.807 3.960 0.001 0.000 0.686 608 G C 0.204 175.027 174.900 -0.127 0.000 1.242 608 G CA -0.289 44.748 45.100 -0.106 0.000 0.819 608 G HN 0.121 nan 8.290 nan 0.000 0.655 609 E N -0.242 119.665 120.200 -0.487 0.000 2.072 609 E HA -0.136 4.215 4.350 0.001 0.000 0.191 609 E C 1.963 178.412 176.600 -0.252 0.000 0.985 609 E CA 1.452 57.379 56.400 -0.790 0.000 0.801 609 E CB -0.025 29.047 29.700 -1.047 0.000 0.750 609 E HN 0.641 nan 8.360 nan 0.000 0.452 610 E N 0.078 120.172 120.200 -0.177 0.000 2.085 610 E HA -0.232 4.118 4.350 0.001 0.000 0.194 610 E C 1.978 178.570 176.600 -0.015 0.000 0.994 610 E CA 1.135 57.486 56.400 -0.082 0.000 0.801 610 E CB 0.133 29.789 29.700 -0.073 0.000 0.743 610 E HN 0.240 nan 8.360 nan 0.000 0.453 611 E N 0.032 120.234 120.200 0.004 0.000 2.007 611 E HA -0.213 4.137 4.350 0.001 0.000 0.194 611 E C 1.957 178.643 176.600 0.144 0.000 0.999 611 E CA 1.089 57.524 56.400 0.058 0.000 0.811 611 E CB -0.717 29.000 29.700 0.027 0.000 0.762 611 E HN 0.394 nan 8.360 nan 0.000 0.450 612 Y N 2.505 122.848 120.300 0.072 0.000 2.241 612 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 612 Y C 1.819 177.850 175.900 0.217 0.000 1.166 612 Y CA 1.538 59.754 58.100 0.192 0.000 1.203 612 Y CB -0.171 38.473 38.460 0.307 0.000 0.977 612 Y HN 0.037 nan 8.280 nan 0.000 0.529 613 N N 0.238 118.979 118.700 0.069 0.000 2.216 613 N HA -0.123 4.618 4.740 0.001 0.000 0.183 613 N C 1.655 177.145 175.510 -0.033 0.000 1.017 613 N CA 1.394 54.425 53.050 -0.031 0.000 0.861 613 N CB -0.237 38.254 38.487 0.007 0.000 0.986 613 N HN 0.425 nan 8.380 nan 0.000 0.428 614 K N -0.049 120.371 120.400 0.034 0.000 2.057 614 K HA -0.109 4.211 4.320 0.001 0.000 0.207 614 K C 1.822 178.483 176.600 0.101 0.000 1.049 614 K CA 0.812 57.134 56.287 0.058 0.000 0.931 614 K CB -0.280 32.277 32.500 0.094 0.000 0.714 614 K HN 0.082 nan 8.250 nan 0.000 0.440 615 F N 2.056 121.990 119.950 -0.026 0.000 2.095 615 F HA -0.180 4.348 4.527 0.001 0.000 0.298 615 F C 1.756 177.509 175.800 -0.078 0.000 1.104 615 F CA 1.363 59.367 58.000 0.007 0.000 1.232 615 F CB -0.266 38.686 39.000 -0.080 0.000 0.987 615 F HN -0.107 nan 8.300 nan 0.000 0.475 616 L N -0.266 120.776 121.223 -0.302 0.000 2.005 616 L HA -0.169 4.172 4.340 0.001 0.000 0.207 616 L C 2.840 179.582 176.870 -0.215 0.000 1.072 616 L CA 1.164 55.791 54.840 -0.355 0.000 0.744 616 L CB -1.406 40.460 42.059 -0.322 0.000 0.895 616 L HN 0.202 nan 8.230 nan 0.000 0.433 617 A N 0.234 122.973 122.820 -0.134 0.000 1.940 617 A HA -0.292 4.029 4.320 0.001 0.000 0.221 617 A C 2.353 179.876 177.584 -0.101 0.000 1.190 617 A CA 2.203 54.187 52.037 -0.088 0.000 0.647 617 A CB -0.466 18.501 19.000 -0.055 0.000 0.821 617 A HN 0.369 nan 8.150 nan 0.000 0.457 618 K N -0.881 119.445 120.400 -0.123 0.000 2.031 618 K HA 0.063 4.384 4.320 0.001 0.000 0.205 618 K C 1.885 178.364 176.600 -0.202 0.000 1.049 618 K CA 1.241 57.402 56.287 -0.211 0.000 0.939 618 K CB -0.313 31.986 32.500 -0.334 0.000 0.717 618 K HN 0.547 nan 8.250 nan 0.000 0.438 619 I N 1.033 121.479 120.570 -0.207 0.000 2.194 619 I HA -0.285 3.886 4.170 0.001 0.000 0.246 619 I C 1.587 177.722 176.117 0.030 0.000 1.093 619 I CA 1.379 62.552 61.300 -0.212 0.000 1.355 619 I CB -0.201 37.512 38.000 -0.479 0.000 1.046 619 I HN 0.076 nan 8.210 nan 0.000 0.413 620 R N 0.553 121.026 120.500 -0.045 0.000 2.547 620 R HA 0.038 4.379 4.340 0.001 0.000 0.258 620 R C 1.571 177.866 176.300 -0.008 0.000 1.115 620 R CA 0.492 56.588 56.100 -0.007 0.000 1.152 620 R CB -0.102 30.175 30.300 -0.038 0.000 1.221 620 R HN 0.399 nan 8.270 nan 0.000 0.539 621 S N -1.406 114.290 115.700 -0.007 0.000 2.524 621 S HA 0.076 4.547 4.470 0.001 0.000 0.215 621 S C 0.651 175.247 174.600 -0.007 0.000 0.986 621 S CA -0.481 57.704 58.200 -0.025 0.000 0.911 621 S CB 0.381 63.543 63.200 -0.063 0.000 0.805 621 S HN 0.057 nan 8.310 nan 0.000 0.501 622 V N -2.693 117.237 119.914 0.027 0.000 2.789 622 V HA 0.598 4.718 4.120 0.001 0.000 0.311 622 V C -2.392 173.704 176.094 0.003 0.000 1.073 622 V CA -2.369 59.932 62.300 0.003 0.000 0.921 622 V CB 1.402 33.211 31.823 -0.023 0.000 1.009 622 V HN -0.187 nan 8.190 nan 0.000 0.426 623 P HA -0.182 nan 4.420 nan 0.000 0.217 623 P C 1.688 178.975 177.300 -0.021 0.000 1.162 623 P CA 1.855 64.940 63.100 -0.025 0.000 0.901 623 P CB 0.036 31.710 31.700 -0.042 0.000 0.793 624 I N -1.680 118.848 120.570 -0.069 0.000 2.567 624 I HA -0.108 4.062 4.170 0.001 0.000 0.257 624 I C 2.255 178.407 176.117 0.058 0.000 1.184 624 I CA 1.866 63.126 61.300 -0.067 0.000 1.451 624 I CB -2.154 35.727 38.000 -0.199 0.000 1.089 624 I HN 0.032 nan 8.210 nan 0.000 0.441 625 G N 0.725 109.609 108.800 0.139 0.000 2.408 625 G HA2 -0.124 3.837 3.960 0.001 0.000 0.213 625 G HA3 -0.124 3.837 3.960 0.001 0.000 0.213 625 G C 1.885 176.860 174.900 0.124 0.000 1.177 625 G CA -0.035 45.244 45.100 0.299 0.000 0.802 625 G HN 0.236 nan 8.290 nan 0.000 0.533 626 R N 0.607 121.149 120.500 0.068 0.000 2.105 626 R HA -0.011 4.330 4.340 0.001 0.000 0.239 626 R C 2.534 178.852 176.300 0.029 0.000 1.135 626 R CA 1.042 57.160 56.100 0.031 0.000 0.967 626 R CB -0.321 29.987 30.300 0.014 0.000 0.861 626 R HN 0.315 nan 8.270 nan 0.000 0.442 627 A N 1.004 123.844 122.820 0.033 0.000 2.250 627 A HA 0.100 4.421 4.320 0.001 0.000 0.208 627 A C 0.476 178.083 177.584 0.039 0.000 1.254 627 A CA 0.327 52.381 52.037 0.028 0.000 0.858 627 A CB -0.299 18.712 19.000 0.019 0.000 0.820 627 A HN 0.098 nan 8.150 nan 0.000 0.484 628 L N -0.622 120.630 121.223 0.049 0.000 2.325 628 L HA 0.308 4.649 4.340 0.001 0.000 0.278 628 L C -0.396 176.495 176.870 0.035 0.000 1.023 628 L CA -0.845 54.026 54.840 0.052 0.000 0.811 628 L CB 1.704 43.809 42.059 0.076 0.000 1.249 628 L HN 0.102 nan 8.230 nan 0.000 0.431 629 D N 3.661 124.082 120.400 0.035 0.000 2.483 629 D HA 0.334 4.975 4.640 0.001 0.000 0.220 629 D C -0.860 175.459 176.300 0.031 0.000 1.173 629 D CA 0.065 54.081 54.000 0.028 0.000 0.964 629 D CB 0.009 40.824 40.800 0.026 0.000 1.046 629 D HN 0.213 nan 8.370 nan 0.000 0.517 630 L N 4.350 125.591 121.223 0.030 0.000 2.322 630 L HA 0.503 4.844 4.340 0.001 0.000 0.281 630 L C -1.796 175.112 176.870 0.064 0.000 1.014 630 L CA -2.060 52.808 54.840 0.046 0.000 0.815 630 L CB 1.763 43.839 42.059 0.027 0.000 1.247 630 L HN 0.223 nan 8.230 nan 0.000 0.421 631 P HA 0.066 nan 4.420 nan 0.000 0.265 631 P C -0.711 176.674 177.300 0.141 0.000 1.193 631 P CA -0.187 62.947 63.100 0.055 0.000 0.765 631 P CB 0.712 32.402 31.700 -0.016 0.000 0.823 632 E N 1.604 121.865 120.200 0.101 0.000 2.345 632 E HA 0.004 4.355 4.350 0.001 0.000 0.259 632 E C 0.968 177.668 176.600 0.166 0.000 1.117 632 E CA -0.471 56.045 56.400 0.193 0.000 0.913 632 E CB 0.271 30.048 29.700 0.127 0.000 1.057 632 E HN 0.466 nan 8.360 nan 0.000 0.432 633 Y N 2.203 122.614 120.300 0.185 0.000 2.053 633 Y HA -0.353 4.198 4.550 0.001 0.000 0.277 633 Y C 2.513 178.353 175.900 -0.099 0.000 1.159 633 Y CA 2.896 60.995 58.100 -0.002 0.000 1.125 633 Y CB -0.425 38.121 38.460 0.143 0.000 0.969 633 Y HN 0.608 nan 8.280 nan 0.000 0.492 634 S N -1.001 114.786 115.700 0.145 0.000 2.359 634 S HA -0.301 4.170 4.470 0.001 0.000 0.222 634 S C 1.994 176.542 174.600 -0.086 0.000 1.038 634 S CA 2.221 60.471 58.200 0.083 0.000 1.051 634 S CB -1.549 61.737 63.200 0.144 0.000 0.944 634 S HN 0.595 nan 8.310 nan 0.000 0.433 635 T N 3.309 117.814 114.554 -0.082 0.000 2.653 635 T HA -0.177 4.174 4.350 0.001 0.000 0.267 635 T C 1.736 176.279 174.700 -0.261 0.000 1.037 635 T CA 2.091 64.116 62.100 -0.125 0.000 1.159 635 T CB -0.780 68.032 68.868 -0.094 0.000 0.859 635 T HN 0.372 nan 8.240 nan 0.000 0.449 636 L N -1.099 119.829 121.223 -0.491 0.000 2.023 636 L HA -0.006 4.334 4.340 0.001 0.000 0.205 636 L C 2.386 178.687 176.870 -0.949 0.000 1.073 636 L CA 1.454 55.769 54.840 -0.875 0.000 0.745 636 L CB -0.633 40.478 42.059 -1.579 0.000 0.900 636 L HN 0.208 nan 8.230 nan 0.000 0.435 637 Y N 1.344 120.958 120.300 -1.142 0.000 2.165 637 Y HA -0.316 4.234 4.550 0.001 0.000 0.286 637 Y C 2.294 178.144 175.900 -0.084 0.000 1.155 637 Y CA 1.808 59.540 58.100 -0.613 0.000 1.164 637 Y CB -0.296 37.884 38.460 -0.467 0.000 0.978 637 Y HN 0.242 nan 8.280 nan 0.000 0.513 638 D N -0.121 120.203 120.400 -0.127 0.000 2.092 638 D HA -0.207 4.434 4.640 0.001 0.000 0.193 638 D C 2.300 178.528 176.300 -0.121 0.000 0.994 638 D CA 1.669 55.611 54.000 -0.097 0.000 0.828 638 D CB -0.478 40.309 40.800 -0.020 0.000 0.963 638 D HN 0.330 nan 8.370 nan 0.000 0.450 639 R N -0.564 119.862 120.500 -0.124 0.000 2.105 639 R HA -0.176 4.165 4.340 0.001 0.000 0.239 639 R C 2.146 178.437 176.300 -0.015 0.000 1.135 639 R CA 1.246 57.297 56.100 -0.082 0.000 0.967 639 R CB -0.418 29.819 30.300 -0.106 0.000 0.861 639 R HN 0.239 nan 8.270 nan 0.000 0.442 640 W N 0.699 121.884 121.300 -0.192 0.000 2.392 640 W HA -0.097 4.564 4.660 0.001 0.000 0.279 640 W C 1.097 177.659 176.519 0.070 0.000 1.225 640 W CA 1.113 58.443 57.345 -0.026 0.000 1.233 640 W CB -0.017 29.523 29.460 0.134 0.000 1.122 640 W HN 0.091 nan 8.180 nan 0.000 0.561 641 L N -0.205 120.927 121.223 -0.152 0.000 2.270 641 L HA -0.060 4.281 4.340 0.001 0.000 0.210 641 L C 1.614 178.380 176.870 -0.174 0.000 1.104 641 L CA 0.899 55.544 54.840 -0.325 0.000 0.804 641 L CB -0.563 41.269 42.059 -0.379 0.000 0.937 641 L HN -0.239 nan 8.230 nan 0.000 0.450 642 D N -0.732 119.605 120.400 -0.105 0.000 2.347 642 D HA -0.049 4.592 4.640 0.001 0.000 0.213 642 D C 2.256 178.527 176.300 -0.049 0.000 0.985 642 D CA 0.447 54.406 54.000 -0.069 0.000 0.879 642 D CB 0.249 41.014 40.800 -0.058 0.000 0.919 642 D HN 0.059 nan 8.370 nan 0.000 0.526 643 S N 0.646 116.302 115.700 -0.073 0.000 2.359 643 S HA -0.147 4.323 4.470 0.001 0.000 0.223 643 S C 0.869 175.330 174.600 -0.231 0.000 1.039 643 S CA 0.789 58.878 58.200 -0.185 0.000 1.042 643 S CB -0.326 62.635 63.200 -0.399 0.000 0.915 643 S HN 0.174 nan 8.310 nan 0.000 0.439 644 F N 0.000 119.822 119.950 -0.214 0.000 2.286 644 F HA 0.000 4.528 4.527 0.001 0.000 0.279 644 F CA 0.000 57.894 58.000 -0.176 0.000 1.383 644 F CB 0.000 38.839 39.000 -0.268 0.000 1.145 644 F HN 0.000 nan 8.300 nan 0.000 0.574