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 2eq9_1_H DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.228 176.300 -0.119 0.000 1.140 7 M CA 0.000 55.215 55.300 -0.142 0.000 0.988 7 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 8 K N 2.590 122.888 120.400 -0.170 0.000 2.401 8 K HA 0.447 4.768 4.320 0.000 0.000 0.278 8 K C 0.163 176.790 176.600 0.045 0.000 1.018 8 K CA 0.349 56.592 56.287 -0.074 0.000 0.981 8 K CB 0.713 33.225 32.500 0.020 0.000 0.933 8 K HN 0.609 nan 8.250 nan 0.000 0.477 9 T N -0.679 113.828 114.554 -0.078 0.000 2.932 9 T HA 0.702 5.052 4.350 0.000 0.000 0.289 9 T C -0.820 173.773 174.700 -0.179 0.000 1.039 9 T CA -0.765 61.357 62.100 0.036 0.000 1.024 9 T CB 0.694 69.573 68.868 0.017 0.000 1.090 9 T HN 0.340 nan 8.240 nan 0.000 0.496 10 Y N -0.938 119.401 120.300 0.065 0.000 2.677 10 Y HA 0.433 4.983 4.550 0.000 0.000 0.334 10 Y C 0.926 176.850 175.900 0.040 0.000 1.154 10 Y CA -1.310 56.821 58.100 0.051 0.000 1.070 10 Y CB 1.058 39.551 38.460 0.054 0.000 1.294 10 Y HN 0.581 nan 8.280 nan 0.000 0.475 11 D N 0.101 120.623 120.400 0.202 0.000 2.137 11 D HA 0.024 4.664 4.640 0.000 0.000 0.202 11 D C -0.328 176.041 176.300 0.116 0.000 0.970 11 D CA 1.472 55.544 54.000 0.120 0.000 0.837 11 D CB 0.483 41.333 40.800 0.083 0.000 0.981 11 D HN 0.216 nan 8.370 nan 0.000 0.475 12 L N 0.321 121.617 121.223 0.121 0.000 2.431 12 L HA 0.444 4.784 4.340 0.000 0.000 0.266 12 L C -1.620 175.257 176.870 0.012 0.000 0.978 12 L CA -0.544 54.333 54.840 0.063 0.000 0.822 12 L CB 2.348 44.418 42.059 0.019 0.000 1.310 12 L HN -0.226 nan 8.230 nan 0.000 0.409 13 I N 5.253 125.817 120.570 -0.011 0.000 2.389 13 I HA 0.496 4.666 4.170 0.000 0.000 0.288 13 I C -0.948 175.127 176.117 -0.070 0.000 0.999 13 I CA -0.867 60.377 61.300 -0.093 0.000 1.129 13 I CB 1.989 39.945 38.000 -0.073 0.000 1.288 13 I HN 0.292 nan 8.210 nan 0.000 0.444 14 V N 7.658 127.512 119.914 -0.101 0.000 2.384 14 V HA 0.423 4.543 4.120 0.000 0.000 0.287 14 V C 0.045 176.082 176.094 -0.093 0.000 1.020 14 V CA -0.462 61.795 62.300 -0.071 0.000 0.850 14 V CB 1.848 33.639 31.823 -0.054 0.000 0.987 14 V HN 0.475 nan 8.190 nan 0.000 0.436 15 I N 4.836 125.357 120.570 -0.082 0.000 2.306 15 I HA 0.715 4.885 4.170 0.000 0.000 0.288 15 I C 0.671 176.741 176.117 -0.078 0.000 1.036 15 I CA 0.062 61.298 61.300 -0.107 0.000 1.221 15 I CB 1.162 39.084 38.000 -0.131 0.000 1.385 15 I HN 0.869 nan 8.210 nan 0.000 0.472 16 G N 3.225 111.984 108.800 -0.068 0.000 3.014 16 G HA2 -0.076 3.884 3.960 0.000 0.000 0.683 16 G HA3 -0.076 3.884 3.960 0.000 0.000 0.683 16 G C -0.134 174.769 174.900 0.004 0.000 1.271 16 G CA -0.373 44.708 45.100 -0.033 0.000 0.843 16 G HN 0.664 nan 8.290 nan 0.000 0.612 17 T N 0.090 114.666 114.554 0.036 0.000 3.308 17 T HA 0.634 4.984 4.350 0.000 0.000 0.270 17 T C 1.249 176.072 174.700 0.205 0.000 0.992 17 T CA 0.856 63.022 62.100 0.111 0.000 0.931 17 T CB 0.654 69.567 68.868 0.075 0.000 1.142 17 T HN 1.652 nan 8.240 nan 0.000 0.525 18 G N 1.999 110.870 108.800 0.120 0.000 2.535 18 G HA2 0.460 4.420 3.960 0.000 0.000 0.282 18 G HA3 0.460 4.420 3.960 0.000 0.000 0.282 18 G C -1.544 173.366 174.900 0.016 0.000 1.350 18 G CA -1.650 43.518 45.100 0.113 0.000 1.039 18 G HN 0.044 nan 8.290 nan 0.000 0.509 19 P HA -0.138 nan 4.420 nan 0.000 0.216 19 P C 2.017 179.006 177.300 -0.517 0.000 1.157 19 P CA 2.079 64.877 63.100 -0.503 0.000 0.880 19 P CB -0.018 31.523 31.700 -0.266 0.000 0.791 20 G N -0.664 107.980 108.800 -0.259 0.000 2.433 20 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 20 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 20 G C 1.833 176.670 174.900 -0.106 0.000 1.186 20 G CA 0.962 45.960 45.100 -0.170 0.000 0.779 20 G HN 0.359 nan 8.290 nan 0.000 0.543 21 G N 0.555 109.317 108.800 -0.063 0.000 2.446 21 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 21 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 21 G C 1.735 176.668 174.900 0.056 0.000 1.168 21 G CA 1.444 46.544 45.100 -0.002 0.000 0.771 21 G HN 0.670 nan 8.290 nan 0.000 0.551 22 Y N -0.299 120.030 120.300 0.048 0.000 2.439 22 Y HA 0.154 4.704 4.550 0.000 0.000 0.292 22 Y C 2.386 178.293 175.900 0.013 0.000 1.130 22 Y CA 1.111 59.224 58.100 0.022 0.000 1.254 22 Y CB -0.761 37.706 38.460 0.012 0.000 1.000 22 Y HN 0.264 nan 8.280 nan 0.000 0.554 23 H N 0.657 119.615 119.070 -0.187 0.000 2.363 23 H HA 0.099 4.655 4.556 0.000 0.000 0.301 23 H C 2.367 177.669 175.328 -0.043 0.000 1.074 23 H CA 1.601 57.586 56.048 -0.105 0.000 1.354 23 H CB -0.400 29.241 29.762 -0.203 0.000 1.397 23 H HN 0.478 nan 8.280 nan 0.000 0.516 24 A N 0.625 123.477 122.820 0.054 0.000 1.902 24 A HA -0.105 4.215 4.320 0.000 0.000 0.217 24 A C 2.515 180.096 177.584 -0.004 0.000 1.181 24 A CA 1.683 53.723 52.037 0.006 0.000 0.623 24 A CB -1.054 17.936 19.000 -0.017 0.000 0.818 24 A HN 0.468 nan 8.150 nan 0.000 0.443 25 A N -0.019 122.809 122.820 0.014 0.000 1.855 25 A HA -0.060 4.260 4.320 0.000 0.000 0.215 25 A C 2.142 179.728 177.584 0.004 0.000 1.191 25 A CA 1.531 53.572 52.037 0.006 0.000 0.613 25 A CB -0.613 18.399 19.000 0.020 0.000 0.829 25 A HN 0.482 nan 8.150 nan 0.000 0.442 26 I N -1.102 119.475 120.570 0.011 0.000 2.202 26 I HA -0.222 3.948 4.170 0.000 0.000 0.242 26 I C 2.675 178.779 176.117 -0.022 0.000 1.091 26 I CA 1.674 62.967 61.300 -0.011 0.000 1.368 26 I CB -0.261 37.724 38.000 -0.026 0.000 1.058 26 I HN 0.265 nan 8.210 nan 0.000 0.410 27 R N 1.752 122.236 120.500 -0.026 0.000 2.096 27 R HA -0.099 4.241 4.340 0.000 0.000 0.235 27 R C 2.126 178.414 176.300 -0.020 0.000 1.127 27 R CA 1.804 57.890 56.100 -0.023 0.000 0.968 27 R CB -0.748 29.543 30.300 -0.016 0.000 0.861 27 R HN 0.356 nan 8.270 nan 0.000 0.440 28 A N 0.064 122.872 122.820 -0.021 0.000 1.933 28 A HA 0.009 4.329 4.320 0.000 0.000 0.218 28 A C 2.344 179.924 177.584 -0.007 0.000 1.175 28 A CA 1.675 53.700 52.037 -0.021 0.000 0.628 28 A CB -0.939 18.045 19.000 -0.026 0.000 0.814 28 A HN 0.462 nan 8.150 nan 0.000 0.444 29 A N -0.627 122.191 122.820 -0.004 0.000 1.898 29 A HA -0.169 4.151 4.320 0.000 0.000 0.216 29 A C 2.081 179.664 177.584 -0.001 0.000 1.181 29 A CA 1.495 53.534 52.037 0.003 0.000 0.620 29 A CB -0.558 18.443 19.000 0.003 0.000 0.819 29 A HN 0.637 nan 8.150 nan 0.000 0.442 30 Q N -0.344 119.451 119.800 -0.009 0.000 2.181 30 Q HA -0.061 4.279 4.340 0.000 0.000 0.205 30 Q C 1.340 177.336 176.000 -0.006 0.000 0.980 30 Q CA 1.138 56.935 55.803 -0.010 0.000 0.862 30 Q CB -0.332 28.397 28.738 -0.016 0.000 0.905 30 Q HN 0.646 nan 8.270 nan 0.000 0.429 31 L N -0.198 121.022 121.223 -0.006 0.000 2.645 31 L HA 0.143 4.484 4.340 0.000 0.000 0.235 31 L C 0.776 177.647 176.870 0.002 0.000 1.150 31 L CA 0.191 55.028 54.840 -0.004 0.000 0.911 31 L CB -0.356 41.699 42.059 -0.007 0.000 1.077 31 L HN 0.363 nan 8.230 nan 0.000 0.438 32 G N 0.724 109.526 108.800 0.004 0.000 2.212 32 G HA2 -0.243 3.717 3.960 0.000 0.000 0.255 32 G HA3 -0.243 3.717 3.960 0.000 0.000 0.255 32 G C -0.086 174.823 174.900 0.015 0.000 1.062 32 G CA -0.172 44.934 45.100 0.009 0.000 0.815 32 G HN 0.242 nan 8.290 nan 0.000 0.497 33 L N -0.814 120.421 121.223 0.019 0.000 2.334 33 L HA 0.807 5.147 4.340 0.000 0.000 0.272 33 L C 0.845 177.747 176.870 0.052 0.000 1.020 33 L CA -0.622 54.238 54.840 0.033 0.000 0.812 33 L CB 1.535 43.611 42.059 0.028 0.000 1.264 33 L HN 0.251 nan 8.230 nan 0.000 0.439 34 K N 2.251 122.698 120.400 0.079 0.000 2.284 34 K HA 0.568 4.888 4.320 0.000 0.000 0.287 34 K C -0.730 175.993 176.600 0.205 0.000 1.081 34 K CA -0.354 56.011 56.287 0.129 0.000 0.910 34 K CB 0.674 33.236 32.500 0.104 0.000 1.088 34 K HN 0.373 nan 8.250 nan 0.000 0.478 35 V N 2.713 122.725 119.914 0.163 0.000 2.513 35 V HA 0.552 4.672 4.120 0.000 0.000 0.299 35 V C -0.613 175.453 176.094 -0.047 0.000 1.035 35 V CA -1.033 61.310 62.300 0.071 0.000 0.889 35 V CB 1.437 33.268 31.823 0.014 0.000 0.988 35 V HN 0.812 nan 8.190 nan 0.000 0.440 36 L N 4.599 125.636 121.223 -0.311 0.000 2.305 36 L HA 0.893 5.233 4.340 0.000 0.000 0.284 36 L C 0.047 176.724 176.870 -0.321 0.000 1.013 36 L CA -0.347 54.154 54.840 -0.566 0.000 0.819 36 L CB 1.194 42.492 42.059 -1.270 0.000 1.227 36 L HN 0.764 nan 8.230 nan 0.000 0.417 37 A N 5.495 128.178 122.820 -0.229 0.000 2.291 37 A HA 0.741 5.061 4.320 0.000 0.000 0.311 37 A C -1.093 176.389 177.584 -0.170 0.000 1.224 37 A CA -0.540 51.404 52.037 -0.154 0.000 0.821 37 A CB 1.004 19.955 19.000 -0.081 0.000 1.172 37 A HN 0.515 nan 8.150 nan 0.000 0.494 38 V N 2.120 121.928 119.914 -0.175 0.000 2.427 38 V HA 0.609 4.729 4.120 0.000 0.000 0.286 38 V C -0.193 175.832 176.094 -0.114 0.000 1.034 38 V CA -0.445 61.750 62.300 -0.175 0.000 0.893 38 V CB 1.385 33.074 31.823 -0.224 0.000 0.982 38 V HN 0.952 nan 8.190 nan 0.000 0.452 39 E N 3.163 123.313 120.200 -0.084 0.000 2.260 39 E HA 0.692 5.042 4.350 0.000 0.000 0.266 39 E C 0.191 176.781 176.600 -0.017 0.000 0.887 39 E CA -0.099 56.275 56.400 -0.044 0.000 0.777 39 E CB 1.843 31.527 29.700 -0.028 0.000 1.205 39 E HN 0.619 nan 8.360 nan 0.000 0.414 40 A N 3.177 126.007 122.820 0.016 0.000 2.081 40 A HA 0.399 4.719 4.320 0.000 0.000 0.214 40 A C 1.129 178.751 177.584 0.063 0.000 1.158 40 A CA 1.234 53.321 52.037 0.083 0.000 0.724 40 A CB -0.030 19.105 19.000 0.224 0.000 0.826 40 A HN 0.600 nan 8.150 nan 0.000 0.463 41 G N -0.981 107.841 108.800 0.038 0.000 3.387 41 G HA2 0.455 4.415 3.960 0.000 0.000 0.194 41 G HA3 0.455 4.415 3.960 0.000 0.000 0.194 41 G C -0.696 174.207 174.900 0.004 0.000 1.417 41 G CA -0.312 44.800 45.100 0.021 0.000 0.777 41 G HN 0.121 nan 8.290 nan 0.000 0.721 42 E N 0.477 120.675 120.200 -0.002 0.000 2.249 42 E HA 0.403 4.753 4.350 0.000 0.000 0.280 42 E C -0.188 176.408 176.600 -0.007 0.000 1.016 42 E CA -0.424 55.969 56.400 -0.011 0.000 0.830 42 E CB 2.256 31.945 29.700 -0.018 0.000 1.081 42 E HN 0.068 nan 8.360 nan 0.000 0.395 43 V N 1.836 121.739 119.914 -0.018 0.000 2.763 43 V HA 0.239 4.359 4.120 0.000 0.000 0.306 43 V C 1.485 177.573 176.094 -0.010 0.000 1.059 43 V CA 1.659 63.948 62.300 -0.018 0.000 1.138 43 V CB 0.661 32.456 31.823 -0.048 0.000 0.940 43 V HN 1.045 nan 8.190 nan 0.000 0.489 44 G N 2.723 111.546 108.800 0.038 0.000 2.232 44 G HA2 0.067 4.027 3.960 0.000 0.000 0.226 44 G HA3 0.067 4.027 3.960 0.000 0.000 0.226 44 G C 0.975 175.945 174.900 0.116 0.000 0.996 44 G CA 0.211 45.365 45.100 0.090 0.000 0.626 44 G HN 2.252 nan 8.290 nan 0.000 0.509 45 G N -1.207 107.632 108.800 0.066 0.000 2.601 45 G HA2 -0.064 3.896 3.960 0.000 0.000 0.261 45 G HA3 -0.064 3.896 3.960 0.000 0.000 0.261 45 G C 1.133 176.047 174.900 0.023 0.000 1.289 45 G CA 1.318 46.444 45.100 0.044 0.000 0.920 45 G HN 1.301 nan 8.290 nan 0.000 0.571 46 V N 0.065 119.988 119.914 0.014 0.000 2.261 46 V HA -0.229 3.891 4.120 0.000 0.000 0.246 46 V C 3.162 179.256 176.094 0.001 0.000 1.047 46 V CA 2.918 65.219 62.300 0.001 0.000 1.015 46 V CB -1.066 30.756 31.823 -0.001 0.000 0.642 46 V HN 1.113 nan 8.190 nan 0.000 0.446 47 c N 0.033 118.640 118.600 0.011 0.000 2.376 47 c HA -0.220 4.350 4.570 0.000 0.000 0.275 47 c C 2.565 176.656 174.090 0.002 0.000 1.200 47 c CA 1.761 58.096 56.329 0.010 0.000 1.756 47 c CB -1.100 41.425 42.510 0.024 0.000 2.050 47 c HN 0.544 nan 8.230 nan 0.000 0.460 48 L N 1.168 122.404 121.223 0.022 0.000 2.179 48 L HA 0.017 4.357 4.340 0.000 0.000 0.208 48 L C 2.426 179.275 176.870 -0.035 0.000 1.096 48 L CA 1.588 56.426 54.840 -0.003 0.000 0.779 48 L CB -0.749 41.322 42.059 0.019 0.000 0.922 48 L HN 0.450 nan 8.230 nan 0.000 0.443 49 N N -0.655 118.029 118.700 -0.027 0.000 2.349 49 N HA 0.030 4.770 4.740 0.000 0.000 0.180 49 N C 1.189 176.670 175.510 -0.049 0.000 1.024 49 N CA 1.666 54.691 53.050 -0.042 0.000 0.869 49 N CB 0.621 39.089 38.487 -0.031 0.000 1.022 49 N HN 0.302 nan 8.380 nan 0.000 0.433 50 V N -3.265 116.625 119.914 -0.040 0.000 3.199 50 V HA 0.628 4.748 4.120 0.000 0.000 0.331 50 V C 0.647 176.722 176.094 -0.032 0.000 1.446 50 V CA -0.059 62.216 62.300 -0.043 0.000 1.120 50 V CB 0.549 32.344 31.823 -0.048 0.000 1.051 50 V HN 0.139 nan 8.190 nan 0.000 0.495 51 G N -0.202 108.581 108.800 -0.028 0.000 3.054 51 G HA2 0.165 4.125 3.960 0.000 0.000 0.201 51 G HA3 0.165 4.125 3.960 0.000 0.000 0.201 51 G C 1.040 175.921 174.900 -0.031 0.000 1.694 51 G CA 0.753 45.842 45.100 -0.018 0.000 0.742 51 G HN 0.255 nan 8.290 nan 0.000 0.790 52 c N 1.029 119.609 118.600 -0.033 0.000 2.328 52 c HA -0.121 4.449 4.570 0.000 0.000 0.276 52 c C 2.801 176.821 174.090 -0.117 0.000 1.173 52 c CA 0.778 57.064 56.329 -0.072 0.000 1.774 52 c CB -1.251 41.227 42.510 -0.054 0.000 2.009 52 c HN 0.415 nan 8.230 nan 0.000 0.436 53 I N 2.236 122.747 120.570 -0.098 0.000 2.099 53 I HA -0.121 4.049 4.170 0.000 0.000 0.239 53 I C 0.110 176.140 176.117 -0.145 0.000 1.066 53 I CA 1.951 63.176 61.300 -0.125 0.000 1.324 53 I CB -2.887 35.048 38.000 -0.110 0.000 1.037 53 I HN 0.281 nan 8.210 nan 0.000 0.401 54 P HA -0.109 nan 4.420 nan 0.000 0.218 54 P C 1.647 178.896 177.300 -0.084 0.000 1.149 54 P CA 1.574 64.597 63.100 -0.128 0.000 0.817 54 P CB -0.215 31.425 31.700 -0.099 0.000 0.785 55 T N 0.278 114.795 114.554 -0.061 0.000 2.737 55 T HA -0.086 4.264 4.350 0.000 0.000 0.265 55 T C 1.853 176.537 174.700 -0.026 0.000 1.038 55 T CA 1.571 63.658 62.100 -0.022 0.000 1.144 55 T CB -0.413 68.452 68.868 -0.006 0.000 0.866 55 T HN 0.072 nan 8.240 nan 0.000 0.434 56 K N 1.390 121.733 120.400 -0.096 0.000 2.147 56 K HA 0.121 4.441 4.320 0.000 0.000 0.205 56 K C 2.288 178.898 176.600 0.016 0.000 1.049 56 K CA 1.057 57.284 56.287 -0.099 0.000 0.936 56 K CB -0.557 31.793 32.500 -0.251 0.000 0.722 56 K HN 0.311 nan 8.250 nan 0.000 0.446 57 A N 0.513 123.311 122.820 -0.037 0.000 1.873 57 A HA -0.122 4.198 4.320 0.000 0.000 0.215 57 A C 2.094 179.821 177.584 0.238 0.000 1.186 57 A CA 1.284 53.321 52.037 -0.000 0.000 0.616 57 A CB -0.636 18.110 19.000 -0.422 0.000 0.823 57 A HN 0.198 nan 8.150 nan 0.000 0.442 58 L N -0.743 120.552 121.223 0.120 0.000 2.017 58 L HA -0.188 4.152 4.340 0.000 0.000 0.208 58 L C 2.600 179.555 176.870 0.141 0.000 1.073 58 L CA 1.136 56.058 54.840 0.136 0.000 0.745 58 L CB -0.608 41.483 42.059 0.053 0.000 0.894 58 L HN 0.365 nan 8.230 nan 0.000 0.432 59 L N -0.875 120.427 121.223 0.131 0.000 2.042 59 L HA -0.287 4.053 4.340 0.000 0.000 0.210 59 L C 2.695 179.665 176.870 0.166 0.000 1.076 59 L CA 1.356 56.277 54.840 0.135 0.000 0.749 59 L CB -0.632 41.515 42.059 0.146 0.000 0.893 59 L HN 0.330 nan 8.230 nan 0.000 0.432 60 H N -0.219 118.936 119.070 0.142 0.000 2.353 60 H HA -0.123 4.433 4.556 0.000 0.000 0.300 60 H C 2.087 177.486 175.328 0.119 0.000 1.090 60 H CA 1.519 57.655 56.048 0.147 0.000 1.327 60 H CB 0.066 29.953 29.762 0.209 0.000 1.383 60 H HN 0.285 nan 8.280 nan 0.000 0.508 61 A N 0.726 123.583 122.820 0.062 0.000 1.898 61 A HA -0.006 4.314 4.320 0.000 0.000 0.216 61 A C 2.607 180.157 177.584 -0.057 0.000 1.181 61 A CA 1.585 53.584 52.037 -0.063 0.000 0.620 61 A CB -1.274 17.768 19.000 0.069 0.000 0.819 61 A HN 0.603 nan 8.150 nan 0.000 0.442 62 A N -0.164 122.661 122.820 0.009 0.000 1.902 62 A HA -0.142 4.178 4.320 0.000 0.000 0.217 62 A C 1.979 179.587 177.584 0.040 0.000 1.181 62 A CA 2.152 54.202 52.037 0.022 0.000 0.623 62 A CB -0.440 18.577 19.000 0.029 0.000 0.818 62 A HN 0.546 nan 8.150 nan 0.000 0.443 63 E N -0.107 120.104 120.200 0.018 0.000 2.106 63 E HA -0.105 4.245 4.350 0.000 0.000 0.192 63 E C 1.933 178.555 176.600 0.037 0.000 0.984 63 E CA 2.031 58.460 56.400 0.049 0.000 0.806 63 E CB -0.723 29.002 29.700 0.040 0.000 0.750 63 E HN 0.474 nan 8.360 nan 0.000 0.458 64 T N 1.231 115.716 114.554 -0.114 0.000 2.746 64 T HA -0.144 4.206 4.350 0.000 0.000 0.267 64 T C 1.693 176.391 174.700 -0.004 0.000 1.039 64 T CA 1.308 63.342 62.100 -0.110 0.000 1.142 64 T CB -0.416 68.291 68.868 -0.270 0.000 0.866 64 T HN 0.177 nan 8.240 nan 0.000 0.444 65 L N 0.793 122.010 121.223 -0.010 0.000 1.994 65 L HA -0.083 4.257 4.340 0.000 0.000 0.208 65 L C 2.295 179.190 176.870 0.041 0.000 1.071 65 L CA 2.155 56.999 54.840 0.008 0.000 0.745 65 L CB -1.017 41.047 42.059 0.008 0.000 0.892 65 L HN 0.331 nan 8.230 nan 0.000 0.431 66 H N -1.602 117.473 119.070 0.010 0.000 2.319 66 H HA -0.273 4.283 4.556 0.000 0.000 0.297 66 H C 2.278 177.633 175.328 0.044 0.000 1.097 66 H CA 2.234 58.298 56.048 0.025 0.000 1.285 66 H CB -0.243 29.544 29.762 0.042 0.000 1.368 66 H HN 0.641 nan 8.280 nan 0.000 0.495 67 H N -0.059 119.024 119.070 0.023 0.000 2.489 67 H HA -0.086 4.470 4.556 0.000 0.000 0.295 67 H C 2.075 177.336 175.328 -0.113 0.000 1.082 67 H CA 1.443 57.482 56.048 -0.015 0.000 1.295 67 H CB -0.318 29.477 29.762 0.056 0.000 1.380 67 H HN 0.403 nan 8.280 nan 0.000 0.548 68 L N -0.121 121.018 121.223 -0.141 0.000 2.191 68 L HA -0.191 4.149 4.340 0.000 0.000 0.212 68 L C 2.308 178.996 176.870 -0.304 0.000 1.103 68 L CA 1.333 56.045 54.840 -0.213 0.000 0.769 68 L CB -0.310 41.676 42.059 -0.122 0.000 0.908 68 L HN 0.322 nan 8.230 nan 0.000 0.438 69 K N -0.213 119.994 120.400 -0.323 0.000 2.026 69 K HA -0.128 4.192 4.320 0.000 0.000 0.208 69 K C 2.055 178.453 176.600 -0.337 0.000 1.048 69 K CA 1.248 57.351 56.287 -0.308 0.000 0.929 69 K CB -0.312 31.982 32.500 -0.343 0.000 0.713 69 K HN 0.094 nan 8.250 nan 0.000 0.439 70 V N 1.554 121.229 119.914 -0.399 0.000 2.427 70 V HA -0.198 3.922 4.120 0.000 0.000 0.248 70 V C 2.323 178.050 176.094 -0.612 0.000 1.051 70 V CA 1.871 63.935 62.300 -0.394 0.000 1.048 70 V CB -0.684 30.943 31.823 -0.328 0.000 0.666 70 V HN 0.354 nan 8.190 nan 0.000 0.456 71 A N -0.487 121.820 122.820 -0.856 0.000 2.131 71 A HA -0.253 4.067 4.320 0.000 0.000 0.220 71 A C 2.126 179.024 177.584 -1.143 0.000 1.158 71 A CA 1.736 52.906 52.037 -1.445 0.000 0.665 71 A CB -0.486 18.013 19.000 -0.835 0.000 0.795 71 A HN 0.641 nan 8.150 nan 0.000 0.460 72 E N -0.712 119.128 120.200 -0.599 0.000 2.153 72 E HA -0.122 4.228 4.350 0.000 0.000 0.194 72 E C 2.083 178.487 176.600 -0.326 0.000 0.988 72 E CA 0.637 56.817 56.400 -0.366 0.000 0.811 72 E CB -0.322 29.233 29.700 -0.240 0.000 0.746 72 E HN 0.649 nan 8.360 nan 0.000 0.466 73 G N 1.159 109.738 108.800 -0.369 0.000 2.462 73 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 73 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 73 G C 0.917 175.777 174.900 -0.066 0.000 1.121 73 G CA 0.705 45.692 45.100 -0.188 0.000 0.758 73 G HN 0.343 nan 8.290 nan 0.000 0.559 74 F N -1.222 118.701 119.950 -0.045 0.000 2.923 74 F HA 0.599 5.126 4.527 0.000 0.000 0.314 74 F C 1.241 177.026 175.800 -0.025 0.000 1.196 74 F CA -1.675 56.308 58.000 -0.028 0.000 1.320 74 F CB -0.030 38.958 39.000 -0.019 0.000 0.953 74 F HN 0.122 nan 8.300 nan 0.000 0.505 75 G N 0.834 109.674 108.800 0.066 0.000 2.176 75 G HA2 -0.305 3.655 3.960 0.000 0.000 0.253 75 G HA3 -0.305 3.655 3.960 0.000 0.000 0.253 75 G C -0.315 174.601 174.900 0.026 0.000 0.979 75 G CA 0.059 45.191 45.100 0.054 0.000 0.641 75 G HN 0.527 nan 8.290 nan 0.000 0.530 76 L N 1.534 122.738 121.223 -0.033 0.000 2.342 76 L HA 0.697 5.037 4.340 0.000 0.000 0.285 76 L C 0.538 177.348 176.870 -0.101 0.000 1.095 76 L CA 0.440 55.258 54.840 -0.038 0.000 0.843 76 L CB -0.151 41.890 42.059 -0.031 0.000 1.201 76 L HN 0.551 nan 8.230 nan 0.000 0.445 77 K N 3.970 124.337 120.400 -0.055 0.000 2.182 77 K HA 0.977 5.297 4.320 0.000 0.000 0.262 77 K C -0.521 176.050 176.600 -0.049 0.000 0.957 77 K CA -0.007 56.242 56.287 -0.062 0.000 0.842 77 K CB 1.517 33.991 32.500 -0.044 0.000 1.099 77 K HN 1.111 nan 8.250 nan 0.000 0.438 81 P HA 0.614 nan 4.420 nan 0.000 0.276 81 P C -0.367 176.917 177.300 -0.026 0.000 1.235 81 P CA 0.240 63.319 63.100 -0.034 0.000 0.772 81 P CB 1.426 33.102 31.700 -0.040 0.000 0.871 82 E N 2.809 122.995 120.200 -0.025 0.000 2.255 82 E HA 0.405 4.755 4.350 0.000 0.000 0.256 82 E C -1.588 174.999 176.600 -0.020 0.000 0.887 82 E CA -0.839 55.550 56.400 -0.018 0.000 0.782 82 E CB 1.314 31.005 29.700 -0.015 0.000 1.214 82 E HN 0.519 nan 8.360 nan 0.000 0.417 83 L N 2.560 123.773 121.223 -0.017 0.000 2.265 83 L HA 0.393 4.733 4.340 0.000 0.000 0.289 83 L C -0.380 176.485 176.870 -0.009 0.000 1.033 83 L CA -0.699 54.130 54.840 -0.018 0.000 0.814 83 L CB 1.743 43.791 42.059 -0.018 0.000 1.203 83 L HN 0.631 nan 8.230 nan 0.000 0.423 84 D N 4.960 125.355 120.400 -0.008 0.000 2.374 84 D HA 0.069 4.709 4.640 0.000 0.000 0.240 84 D C 1.200 177.505 176.300 0.010 0.000 1.229 84 D CA 0.010 54.011 54.000 0.001 0.000 0.895 84 D CB 0.773 41.574 40.800 0.001 0.000 1.046 84 D HN 0.662 nan 8.370 nan 0.000 0.498 85 L N 3.625 124.854 121.223 0.011 0.000 2.079 85 L HA -0.169 4.171 4.340 0.000 0.000 0.210 85 L C 2.504 179.388 176.870 0.024 0.000 1.081 85 L CA 0.996 55.844 54.840 0.014 0.000 0.752 85 L CB -0.267 41.797 42.059 0.008 0.000 0.896 85 L HN 0.385 nan 8.230 nan 0.000 0.433 86 K N 0.746 121.160 120.400 0.023 0.000 2.057 86 K HA -0.242 4.078 4.320 0.000 0.000 0.207 86 K C 2.226 178.849 176.600 0.039 0.000 1.049 86 K CA 1.484 57.786 56.287 0.025 0.000 0.931 86 K CB 0.088 32.600 32.500 0.020 0.000 0.714 86 K HN -0.041 nan 8.250 nan 0.000 0.440 87 K N 0.652 121.075 120.400 0.039 0.000 2.097 87 K HA -0.125 4.196 4.320 0.000 0.000 0.205 87 K C 1.959 178.619 176.600 0.101 0.000 1.050 87 K CA 0.913 57.233 56.287 0.054 0.000 0.938 87 K CB -0.253 32.264 32.500 0.028 0.000 0.718 87 K HN 0.126 nan 8.250 nan 0.000 0.442 88 L N 0.075 121.355 121.223 0.094 0.000 2.046 88 L HA 0.013 4.353 4.340 0.000 0.000 0.208 88 L C 2.039 179.022 176.870 0.188 0.000 1.077 88 L CA 2.372 57.311 54.840 0.164 0.000 0.747 88 L CB -1.144 40.979 42.059 0.106 0.000 0.896 88 L HN 0.267 nan 8.230 nan 0.000 0.432 89 G N -1.140 107.718 108.800 0.097 0.000 2.422 89 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 89 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 89 G C 1.512 176.447 174.900 0.060 0.000 1.146 89 G CA 0.566 45.700 45.100 0.056 0.000 0.769 89 G HN 0.609 nan 8.290 nan 0.000 0.547 90 G N 0.028 108.879 108.800 0.085 0.000 2.446 90 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 90 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 90 G C 1.585 176.560 174.900 0.126 0.000 1.168 90 G CA 1.024 46.173 45.100 0.083 0.000 0.771 90 G HN 0.471 nan 8.290 nan 0.000 0.551 91 W N 1.556 122.853 121.300 -0.005 0.000 2.358 91 W HA -0.038 4.622 4.660 0.000 0.000 0.303 91 W C 2.678 179.195 176.519 -0.004 0.000 1.208 91 W CA 1.548 58.892 57.345 -0.001 0.000 1.274 91 W CB -0.280 29.185 29.460 0.008 0.000 1.138 91 W HN 0.128 nan 8.180 nan 0.000 0.515 92 R N 0.453 120.881 120.500 -0.119 0.000 2.083 92 R HA -0.203 4.137 4.340 0.000 0.000 0.237 92 R C 1.798 177.935 176.300 -0.272 0.000 1.137 92 R CA 2.327 58.227 56.100 -0.332 0.000 0.951 92 R CB -0.869 29.354 30.300 -0.128 0.000 0.851 92 R HN 0.117 nan 8.270 nan 0.000 0.434 93 D N 0.246 120.563 120.400 -0.138 0.000 2.117 93 D HA -0.223 4.417 4.640 0.000 0.000 0.197 93 D C 1.866 178.092 176.300 -0.125 0.000 0.987 93 D CA 1.108 55.043 54.000 -0.109 0.000 0.829 93 D CB -0.344 40.423 40.800 -0.056 0.000 0.961 93 D HN 0.436 nan 8.370 nan 0.000 0.460 94 Q N 0.736 120.465 119.800 -0.118 0.000 2.096 94 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 94 Q C 2.179 178.080 176.000 -0.165 0.000 0.982 94 Q CA 1.242 56.987 55.803 -0.096 0.000 0.850 94 Q CB 0.109 28.839 28.738 -0.013 0.000 0.901 94 Q HN 0.098 nan 8.270 nan 0.000 0.422 95 V N 0.053 119.771 119.914 -0.326 0.000 2.343 95 V HA -0.234 3.886 4.120 0.000 0.000 0.247 95 V C 2.364 178.326 176.094 -0.219 0.000 1.051 95 V CA 1.456 63.555 62.300 -0.335 0.000 1.036 95 V CB -0.403 31.068 31.823 -0.586 0.000 0.654 95 V HN 0.250 nan 8.190 nan 0.000 0.451 96 V N -0.073 119.716 119.914 -0.208 0.000 2.295 96 V HA -0.305 3.815 4.120 0.000 0.000 0.246 96 V C 2.435 178.465 176.094 -0.107 0.000 1.049 96 V CA 2.422 64.637 62.300 -0.143 0.000 1.024 96 V CB -0.655 31.092 31.823 -0.126 0.000 0.648 96 V HN 0.552 nan 8.190 nan 0.000 0.447 97 K N 0.075 120.415 120.400 -0.099 0.000 2.057 97 K HA -0.221 4.099 4.320 0.000 0.000 0.207 97 K C 2.265 178.822 176.600 -0.071 0.000 1.049 97 K CA 1.602 57.845 56.287 -0.074 0.000 0.931 97 K CB -0.117 32.348 32.500 -0.059 0.000 0.714 97 K HN 0.396 nan 8.250 nan 0.000 0.440 98 K N 0.480 120.834 120.400 -0.076 0.000 2.032 98 K HA -0.138 4.182 4.320 0.000 0.000 0.209 98 K C 2.171 178.726 176.600 -0.074 0.000 1.048 98 K CA 1.583 57.831 56.287 -0.065 0.000 0.927 98 K CB -0.162 32.302 32.500 -0.060 0.000 0.712 98 K HN 0.170 nan 8.250 nan 0.000 0.441 99 L N 0.741 121.914 121.223 -0.084 0.000 2.093 99 L HA -0.152 4.188 4.340 0.000 0.000 0.208 99 L C 2.699 179.509 176.870 -0.101 0.000 1.085 99 L CA 1.503 56.292 54.840 -0.086 0.000 0.755 99 L CB -0.904 41.109 42.059 -0.077 0.000 0.904 99 L HN 0.398 nan 8.230 nan 0.000 0.435 100 T N -3.377 111.122 114.554 -0.091 0.000 2.857 100 T HA -0.059 4.291 4.350 0.000 0.000 0.266 100 T C 1.948 176.585 174.700 -0.104 0.000 1.048 100 T CA 0.889 62.931 62.100 -0.096 0.000 1.139 100 T CB -0.779 68.047 68.868 -0.070 0.000 0.874 100 T HN 0.361 nan 8.240 nan 0.000 0.455 101 G N 1.370 110.118 108.800 -0.086 0.000 2.402 101 G HA2 0.095 4.055 3.960 0.000 0.000 0.216 101 G HA3 0.095 4.055 3.960 0.000 0.000 0.216 101 G C 1.739 176.582 174.900 -0.094 0.000 1.162 101 G CA 0.588 45.641 45.100 -0.078 0.000 0.777 101 G HN 0.636 nan 8.290 nan 0.000 0.539 102 G N 0.449 109.188 108.800 -0.102 0.000 2.442 102 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 102 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 102 G C 1.764 176.566 174.900 -0.164 0.000 1.141 102 G CA 1.259 46.291 45.100 -0.112 0.000 0.763 102 G HN 0.332 nan 8.290 nan 0.000 0.554 103 V N 1.448 121.225 119.914 -0.228 0.000 2.307 103 V HA -0.051 4.069 4.120 0.000 0.000 0.245 103 V C 3.169 179.123 176.094 -0.233 0.000 1.045 103 V CA 2.004 64.090 62.300 -0.357 0.000 1.024 103 V CB -1.092 30.427 31.823 -0.507 0.000 0.651 103 V HN 0.437 nan 8.190 nan 0.000 0.449 104 G N -0.463 108.241 108.800 -0.160 0.000 2.469 104 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 104 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 104 G C 1.691 176.536 174.900 -0.092 0.000 1.150 104 G CA 1.689 46.724 45.100 -0.107 0.000 0.763 104 G HN 0.468 nan 8.290 nan 0.000 0.561 105 T N 1.233 115.732 114.554 -0.092 0.000 2.746 105 T HA -0.067 4.283 4.350 0.000 0.000 0.267 105 T C 2.299 176.954 174.700 -0.076 0.000 1.039 105 T CA 0.791 62.848 62.100 -0.073 0.000 1.142 105 T CB -0.141 68.686 68.868 -0.067 0.000 0.866 105 T HN 0.012 nan 8.240 nan 0.000 0.444 106 L N 0.678 121.839 121.223 -0.104 0.000 2.056 106 L HA 0.077 4.417 4.340 0.000 0.000 0.207 106 L C 2.345 179.169 176.870 -0.077 0.000 1.078 106 L CA 1.370 56.152 54.840 -0.097 0.000 0.749 106 L CB -1.420 40.556 42.059 -0.138 0.000 0.901 106 L HN 0.304 nan 8.230 nan 0.000 0.433 107 L N -0.630 120.541 121.223 -0.085 0.000 2.017 107 L HA -0.261 4.079 4.340 0.000 0.000 0.208 107 L C 2.638 179.486 176.870 -0.037 0.000 1.073 107 L CA 1.460 56.267 54.840 -0.054 0.000 0.745 107 L CB -0.510 41.515 42.059 -0.057 0.000 0.894 107 L HN 0.270 nan 8.230 nan 0.000 0.432 108 K N 0.200 120.576 120.400 -0.040 0.000 2.026 108 K HA -0.151 4.169 4.320 0.000 0.000 0.208 108 K C 2.020 178.606 176.600 -0.022 0.000 1.048 108 K CA 1.448 57.720 56.287 -0.026 0.000 0.929 108 K CB -0.364 32.119 32.500 -0.028 0.000 0.713 108 K HN 0.335 nan 8.250 nan 0.000 0.439 109 G N 0.703 109.485 108.800 -0.031 0.000 2.479 109 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 109 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 109 G C 1.172 176.059 174.900 -0.021 0.000 1.115 109 G CA 0.603 45.688 45.100 -0.026 0.000 0.757 109 G HN 0.359 nan 8.290 nan 0.000 0.560 110 N N 0.317 119.004 118.700 -0.021 0.000 2.280 110 N HA 0.087 4.827 4.740 0.000 0.000 0.192 110 N C 1.561 177.069 175.510 -0.003 0.000 1.109 110 N CA 0.699 53.740 53.050 -0.015 0.000 0.855 110 N CB 0.521 38.997 38.487 -0.019 0.000 0.974 110 N HN 0.344 nan 8.380 nan 0.000 0.482 111 G N 0.897 109.696 108.800 -0.001 0.000 2.147 111 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 111 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 111 G C 0.033 174.947 174.900 0.024 0.000 1.005 111 G CA 0.053 45.161 45.100 0.013 0.000 0.713 111 G HN 0.156 nan 8.290 nan 0.000 0.515 112 V N 0.586 120.506 119.914 0.010 0.000 2.498 112 V HA 0.398 4.518 4.120 0.000 0.000 0.279 112 V C 0.785 176.881 176.094 0.004 0.000 1.048 112 V CA -0.283 62.021 62.300 0.008 0.000 0.967 112 V CB 1.769 33.586 31.823 -0.010 0.000 0.988 112 V HN 0.450 nan 8.190 nan 0.000 0.473 113 E N 3.928 124.135 120.200 0.012 0.000 2.194 113 E HA 0.326 4.676 4.350 0.000 0.000 0.284 113 E C -1.066 175.499 176.600 -0.058 0.000 1.035 113 E CA -0.764 55.641 56.400 0.009 0.000 0.836 113 E CB 1.213 30.966 29.700 0.089 0.000 1.070 113 E HN 0.528 nan 8.360 nan 0.000 0.401 114 L N 6.471 127.667 121.223 -0.046 0.000 2.264 114 L HA 0.358 4.698 4.340 0.000 0.000 0.289 114 L C -1.543 175.284 176.870 -0.071 0.000 1.044 114 L CA -0.581 54.220 54.840 -0.066 0.000 0.807 114 L CB 1.188 43.219 42.059 -0.048 0.000 1.192 114 L HN 0.554 nan 8.230 nan 0.000 0.425 115 L N 5.825 126.980 121.223 -0.114 0.000 2.325 115 L HA 0.607 4.947 4.340 0.000 0.000 0.281 115 L C -0.709 176.106 176.870 -0.093 0.000 1.004 115 L CA -0.386 54.385 54.840 -0.115 0.000 0.823 115 L CB 0.929 42.853 42.059 -0.226 0.000 1.236 115 L HN 0.509 nan 8.230 nan 0.000 0.415 116 R N 4.266 124.737 120.500 -0.049 0.000 2.265 116 R HA 0.843 5.183 4.340 0.000 0.000 0.314 116 R C 0.071 176.364 176.300 -0.012 0.000 1.053 116 R CA -0.212 55.872 56.100 -0.027 0.000 0.931 116 R CB 0.653 30.947 30.300 -0.010 0.000 1.024 116 R HN 0.932 nan 8.270 nan 0.000 0.457 117 G N 1.602 110.403 108.800 0.002 0.000 2.339 117 G HA2 0.111 4.071 3.960 0.000 0.000 0.302 117 G HA3 0.111 4.071 3.960 0.000 0.000 0.302 117 G C -1.944 173.000 174.900 0.073 0.000 1.425 117 G CA -1.026 44.101 45.100 0.045 0.000 0.899 117 G HN 0.316 nan 8.290 nan 0.000 0.619 118 F N 1.836 121.772 119.950 -0.025 0.000 2.411 118 F HA 0.707 5.234 4.527 0.000 0.000 0.355 118 F C 0.595 176.383 175.800 -0.021 0.000 1.117 118 F CA 0.099 58.086 58.000 -0.023 0.000 1.139 118 F CB 1.054 40.047 39.000 -0.013 0.000 1.120 118 F HN 0.808 nan 8.300 nan 0.000 0.493 119 A N 6.959 129.419 122.820 -0.600 0.000 2.303 119 A HA 0.870 5.190 4.320 0.000 0.000 0.317 119 A C -0.850 176.429 177.584 -0.508 0.000 1.149 119 A CA -0.796 50.994 52.037 -0.413 0.000 0.822 119 A CB 0.836 19.654 19.000 -0.304 0.000 1.131 119 A HN 0.907 nan 8.150 nan 0.000 0.493 120 R N 1.003 121.385 120.500 -0.196 0.000 2.626 120 R HA 0.672 5.012 4.340 0.000 0.000 0.274 120 R C -1.844 174.435 176.300 -0.036 0.000 1.031 120 R CA -0.852 55.189 56.100 -0.098 0.000 0.898 120 R CB 0.713 31.035 30.300 0.038 0.000 1.222 120 R HN 0.360 nan 8.270 nan 0.000 0.455 121 L N 1.917 123.125 121.223 -0.025 0.000 2.397 121 L HA 0.254 4.594 4.340 0.000 0.000 0.271 121 L C 0.193 177.074 176.870 0.018 0.000 1.148 121 L CA 0.121 54.960 54.840 -0.002 0.000 0.825 121 L CB 1.780 43.837 42.059 -0.005 0.000 1.117 121 L HN 0.676 nan 8.230 nan 0.000 0.456 122 V N 2.037 121.967 119.914 0.026 0.000 2.925 122 V HA 0.682 4.802 4.120 0.000 0.000 0.361 122 V C 0.291 176.400 176.094 0.026 0.000 1.361 122 V CA 0.266 62.584 62.300 0.030 0.000 1.184 122 V CB -0.101 31.744 31.823 0.038 0.000 1.245 122 V HN 0.951 nan 8.190 nan 0.000 0.575 123 G N 0.548 109.360 108.800 0.021 0.000 2.329 123 G HA2 0.194 4.154 3.960 0.000 0.000 0.308 123 G HA3 0.194 4.154 3.960 0.000 0.000 0.308 123 G C -2.796 172.115 174.900 0.018 0.000 1.587 123 G CA -0.490 44.621 45.100 0.019 0.000 0.978 123 G HN 0.019 nan 8.290 nan 0.000 0.685 124 P HA -0.019 nan 4.420 nan 0.000 0.222 124 P C 0.995 178.307 177.300 0.020 0.000 1.142 124 P CA 1.278 64.383 63.100 0.009 0.000 0.788 124 P CB 0.179 31.881 31.700 0.002 0.000 0.767 125 K N -1.356 119.062 120.400 0.030 0.000 2.564 125 K HA 0.232 4.552 4.320 0.000 0.000 0.201 125 K C 0.066 176.700 176.600 0.057 0.000 1.086 125 K CA 0.027 56.340 56.287 0.045 0.000 1.062 125 K CB 1.491 34.017 32.500 0.045 0.000 0.849 125 K HN 0.203 nan 8.250 nan 0.000 0.529 126 E N 1.120 121.351 120.200 0.051 0.000 2.292 126 E HA 0.392 4.742 4.350 0.000 0.000 0.272 126 E C -1.500 175.138 176.600 0.063 0.000 0.881 126 E CA -0.697 55.744 56.400 0.067 0.000 0.754 126 E CB 2.280 32.014 29.700 0.056 0.000 1.201 126 E HN -0.191 nan 8.360 nan 0.000 0.425 127 V N 2.982 122.953 119.914 0.094 0.000 2.769 127 V HA 0.390 4.510 4.120 0.000 0.000 0.312 127 V C -0.618 175.562 176.094 0.142 0.000 1.061 127 V CA -0.742 61.604 62.300 0.076 0.000 0.931 127 V CB 1.931 33.768 31.823 0.023 0.000 1.010 127 V HN 0.733 nan 8.190 nan 0.000 0.433 128 E N 2.349 122.609 120.200 0.100 0.000 2.171 128 E HA 0.774 5.124 4.350 0.000 0.000 0.271 128 E C -1.604 175.068 176.600 0.120 0.000 0.916 128 E CA -0.307 56.175 56.400 0.138 0.000 0.774 128 E CB 2.038 31.795 29.700 0.095 0.000 1.128 128 E HN 0.467 nan 8.360 nan 0.000 0.403 135 G N -0.057 108.804 108.800 0.101 0.000 2.299 135 G HA2 -0.261 3.699 3.960 0.000 0.000 0.237 135 G HA3 -0.261 3.699 3.960 0.000 0.000 0.237 135 G C 0.231 175.172 174.900 0.068 0.000 1.027 135 G CA 0.414 45.558 45.100 0.074 0.000 0.619 135 G HN 0.547 nan 8.290 nan 0.000 0.513 136 E N 1.156 121.417 120.200 0.102 0.000 2.366 136 E HA 0.501 4.851 4.350 0.000 0.000 0.266 136 E C 0.498 177.108 176.600 0.017 0.000 1.051 136 E CA -0.236 56.175 56.400 0.020 0.000 0.884 136 E CB 0.701 30.415 29.700 0.024 0.000 1.006 136 E HN 0.307 nan 8.360 nan 0.000 0.417 137 R N 1.671 122.064 120.500 -0.177 0.000 2.604 137 R HA 0.467 4.807 4.340 0.000 0.000 0.287 137 R C -0.723 175.398 176.300 -0.299 0.000 0.970 137 R CA -0.710 55.342 56.100 -0.081 0.000 0.946 137 R CB 0.690 30.962 30.300 -0.047 0.000 1.127 137 R HN 0.459 nan 8.270 nan 0.000 0.473 138 Y N -1.115 119.221 120.300 0.060 0.000 2.433 138 Y HA 0.540 5.090 4.550 0.000 0.000 0.337 138 Y C 0.595 176.549 175.900 0.091 0.000 1.026 138 Y CA -0.851 57.311 58.100 0.104 0.000 1.037 138 Y CB 2.563 41.078 38.460 0.093 0.000 1.245 138 Y HN 0.745 nan 8.280 nan 0.000 0.443 139 G N 0.671 109.619 108.800 0.247 0.000 2.537 139 G HA2 0.905 4.865 3.960 0.000 0.000 0.308 139 G HA3 0.905 4.865 3.960 0.000 0.000 0.308 139 G C -1.520 173.499 174.900 0.197 0.000 1.237 139 G CA -0.720 44.482 45.100 0.170 0.000 0.968 139 G HN 0.919 nan 8.290 nan 0.000 0.481 140 A N 0.089 122.994 122.820 0.141 0.000 2.586 140 A HA 0.652 4.972 4.320 0.000 0.000 0.291 140 A C 0.678 178.323 177.584 0.102 0.000 1.062 140 A CA -0.231 51.890 52.037 0.140 0.000 0.666 140 A CB 1.227 20.321 19.000 0.157 0.000 1.281 140 A HN 0.709 nan 8.150 nan 0.000 0.421 141 K N 0.086 120.543 120.400 0.095 0.000 2.097 141 K HA 0.052 4.372 4.320 0.000 0.000 0.205 141 K C 0.186 176.849 176.600 0.105 0.000 1.050 141 K CA 1.786 58.124 56.287 0.085 0.000 0.938 141 K CB -0.076 32.470 32.500 0.077 0.000 0.718 141 K HN 0.622 nan 8.250 nan 0.000 0.442 142 S N -0.093 115.680 115.700 0.121 0.000 2.542 142 S HA 0.539 5.009 4.470 0.000 0.000 0.293 142 S C -1.038 173.646 174.600 0.141 0.000 1.089 142 S CA -0.883 57.419 58.200 0.171 0.000 0.961 142 S CB 1.902 65.219 63.200 0.196 0.000 1.062 142 S HN 0.136 nan 8.310 nan 0.000 0.483 143 L N 2.618 123.950 121.223 0.181 0.000 2.408 143 L HA 0.633 4.973 4.340 0.000 0.000 0.268 143 L C -1.204 175.773 176.870 0.179 0.000 0.986 143 L CA -0.590 54.323 54.840 0.121 0.000 0.820 143 L CB 1.661 43.764 42.059 0.074 0.000 1.303 143 L HN 0.517 nan 8.230 nan 0.000 0.411 144 I N 4.071 124.697 120.570 0.093 0.000 2.382 144 I HA 0.332 4.502 4.170 0.000 0.000 0.286 144 I C -0.520 175.621 176.117 0.040 0.000 1.002 144 I CA -0.433 60.923 61.300 0.093 0.000 1.135 144 I CB 1.816 39.826 38.000 0.017 0.000 1.288 144 I HN 0.371 nan 8.210 nan 0.000 0.448 145 L N 6.628 127.881 121.223 0.050 0.000 2.261 145 L HA 0.515 4.855 4.340 0.000 0.000 0.289 145 L C 0.605 177.479 176.870 0.007 0.000 1.059 145 L CA -0.183 54.662 54.840 0.009 0.000 0.816 145 L CB 1.016 43.079 42.059 0.008 0.000 1.191 145 L HN 0.713 nan 8.230 nan 0.000 0.431 146 A N 1.208 124.019 122.820 -0.014 0.000 2.959 146 A HA 0.233 4.553 4.320 0.000 0.000 0.280 146 A C 1.149 178.719 177.584 -0.022 0.000 0.953 146 A CA -0.227 51.802 52.037 -0.014 0.000 1.047 146 A CB -0.175 18.815 19.000 -0.017 0.000 1.147 146 A HN 0.739 nan 8.150 nan 0.000 0.489 147 T N -2.933 111.605 114.554 -0.028 0.000 3.163 147 T HA 0.372 4.722 4.350 0.000 0.000 0.260 147 T C 1.405 176.096 174.700 -0.014 0.000 1.156 147 T CA 1.071 63.152 62.100 -0.031 0.000 1.072 147 T CB -0.476 68.365 68.868 -0.045 0.000 0.937 147 T HN 1.992 nan 8.240 nan 0.000 0.528 148 G N 1.401 110.196 108.800 -0.008 0.000 2.569 148 G HA2 -0.061 3.899 3.960 0.000 0.000 0.259 148 G HA3 -0.061 3.899 3.960 0.000 0.000 0.259 148 G C -0.013 174.884 174.900 -0.006 0.000 1.263 148 G CA 0.412 45.511 45.100 -0.001 0.000 0.928 148 G HN 1.668 nan 8.290 nan 0.000 0.572 149 S N -1.018 114.681 115.700 -0.002 0.000 2.776 149 S HA 0.825 5.295 4.470 0.000 0.000 0.292 149 S C -0.731 173.863 174.600 -0.010 0.000 1.187 149 S CA 0.440 58.632 58.200 -0.014 0.000 0.834 149 S CB 2.295 65.502 63.200 0.013 0.000 1.199 149 S HN 1.932 nan 8.310 nan 0.000 0.514 150 E N -0.726 119.467 120.200 -0.012 0.000 2.433 150 E HA 0.601 4.951 4.350 0.000 0.000 0.278 150 E C -3.370 173.231 176.600 0.001 0.000 0.976 150 E CA -2.561 53.829 56.400 -0.016 0.000 0.793 150 E CB 1.132 30.818 29.700 -0.023 0.000 1.311 150 E HN 0.306 nan 8.360 nan 0.000 0.460 151 P HA -0.030 nan 4.420 nan 0.000 0.262 151 P C -0.726 176.661 177.300 0.144 0.000 1.182 151 P CA -0.224 62.892 63.100 0.028 0.000 0.761 151 P CB 0.229 31.852 31.700 -0.128 0.000 0.795 152 L N 3.584 124.914 121.223 0.179 0.000 2.331 152 L HA 0.210 4.550 4.340 0.000 0.000 0.278 152 L C 0.407 177.439 176.870 0.270 0.000 1.106 152 L CA -0.014 54.933 54.840 0.178 0.000 0.824 152 L CB -0.094 42.032 42.059 0.112 0.000 1.142 152 L HN 0.324 nan 8.230 nan 0.000 0.443 153 E N 3.168 123.504 120.200 0.226 0.000 2.331 153 E HA 0.307 4.657 4.350 0.000 0.000 0.272 153 E C -1.316 175.263 176.600 -0.035 0.000 1.036 153 E CA -0.686 55.750 56.400 0.059 0.000 0.864 153 E CB 1.147 30.892 29.700 0.075 0.000 1.035 153 E HN 0.576 nan 8.360 nan 0.000 0.408 154 L N 4.285 125.431 121.223 -0.129 0.000 2.307 154 L HA 0.286 4.626 4.340 0.000 0.000 0.284 154 L C -0.446 176.451 176.870 0.045 0.000 1.023 154 L CA -0.329 54.500 54.840 -0.019 0.000 0.810 154 L CB 1.266 43.315 42.059 -0.018 0.000 1.231 154 L HN 0.408 nan 8.230 nan 0.000 0.423 155 K N 4.183 124.617 120.400 0.056 0.000 2.453 155 K HA 0.318 4.638 4.320 0.000 0.000 0.280 155 K C 0.895 177.549 176.600 0.089 0.000 1.045 155 K CA 1.139 57.455 56.287 0.048 0.000 1.059 155 K CB -0.064 32.455 32.500 0.031 0.000 0.901 155 K HN 0.978 nan 8.250 nan 0.000 0.475 156 G N 3.815 112.606 108.800 -0.015 0.000 2.194 156 G HA2 -0.238 3.722 3.960 0.000 0.000 0.236 156 G HA3 -0.238 3.722 3.960 0.000 0.000 0.236 156 G C -0.044 174.599 174.900 -0.427 0.000 0.987 156 G CA 0.014 44.998 45.100 -0.194 0.000 0.635 156 G HN 0.592 nan 8.290 nan 0.000 0.520 157 F N 2.335 122.291 119.950 0.009 0.000 2.566 157 F HA 0.355 4.882 4.527 0.000 0.000 0.347 157 F C -1.991 173.714 175.800 -0.159 0.000 1.515 157 F CA -1.734 56.274 58.000 0.013 0.000 1.103 157 F CB 1.629 40.578 39.000 -0.084 0.000 1.385 157 F HN -0.078 nan 8.300 nan 0.000 0.560 158 P HA -0.029 nan 4.420 nan 0.000 0.267 158 P C -0.156 177.133 177.300 -0.017 0.000 1.205 158 P CA 0.100 63.163 63.100 -0.062 0.000 0.765 158 P CB 0.600 32.307 31.700 0.013 0.000 0.828 159 F N 2.293 122.324 119.950 0.134 0.000 2.607 159 F HA 0.385 4.912 4.527 0.000 0.000 0.374 159 F C 1.728 177.605 175.800 0.129 0.000 1.104 159 F CA 1.696 59.775 58.000 0.132 0.000 1.296 159 F CB -0.201 38.861 39.000 0.105 0.000 1.085 159 F HN 0.556 nan 8.300 nan 0.000 0.584 160 G N 1.897 110.907 108.800 0.351 0.000 2.490 160 G HA2 0.151 4.111 3.960 0.000 0.000 0.308 160 G HA3 0.151 4.111 3.960 0.000 0.000 0.308 160 G C 0.047 175.111 174.900 0.274 0.000 1.286 160 G CA -0.559 44.691 45.100 0.251 0.000 0.825 160 G HN 0.308 nan 8.290 nan 0.000 0.479 161 E N -0.270 120.061 120.200 0.218 0.000 2.209 161 E HA -0.093 4.257 4.350 0.000 0.000 0.196 161 E C 1.012 177.783 176.600 0.285 0.000 0.993 161 E CA 1.259 57.806 56.400 0.245 0.000 0.819 161 E CB 0.181 29.982 29.700 0.169 0.000 0.745 161 E HN 0.426 nan 8.360 nan 0.000 0.477 162 D N -0.870 119.627 120.400 0.161 0.000 2.417 162 D HA 0.044 4.684 4.640 0.000 0.000 0.207 162 D C -0.115 176.077 176.300 -0.180 0.000 1.075 162 D CA 0.146 54.128 54.000 -0.030 0.000 0.851 162 D CB 1.240 42.017 40.800 -0.038 0.000 0.976 162 D HN -0.099 nan 8.370 nan 0.000 0.505 163 V N 2.413 122.353 119.914 0.044 0.000 2.326 163 V HA 0.233 4.353 4.120 0.000 0.000 0.281 163 V C -0.572 175.775 176.094 0.422 0.000 1.015 163 V CA -0.917 61.428 62.300 0.077 0.000 0.823 163 V CB 1.249 33.133 31.823 0.102 0.000 1.009 163 V HN -0.012 nan 8.190 nan 0.000 0.436 164 W N 2.956 124.343 121.300 0.146 0.000 2.448 164 W HA 0.582 5.242 4.660 0.000 0.000 0.339 164 W C 0.214 176.861 176.519 0.213 0.000 1.124 164 W CA -1.259 56.172 57.345 0.143 0.000 1.262 164 W CB 0.968 30.439 29.460 0.017 0.000 1.251 164 W HN 0.696 nan 8.180 nan 0.000 0.597 165 D N -1.227 119.300 120.400 0.211 0.000 2.442 165 D HA 0.217 4.857 4.640 0.000 0.000 0.254 165 D C 1.082 177.397 176.300 0.026 0.000 1.069 165 D CA -0.497 53.491 54.000 -0.020 0.000 1.017 165 D CB 0.356 40.766 40.800 -0.650 0.000 1.172 165 D HN 0.202 nan 8.370 nan 0.000 0.561 166 S N -0.579 115.127 115.700 0.009 0.000 2.383 166 S HA -0.218 4.252 4.470 0.000 0.000 0.229 166 S C 1.749 176.338 174.600 -0.018 0.000 1.030 166 S CA 1.662 59.878 58.200 0.027 0.000 1.002 166 S CB -1.179 62.037 63.200 0.027 0.000 0.829 166 S HN 0.616 nan 8.310 nan 0.000 0.467 167 T N 2.174 116.683 114.554 -0.076 0.000 2.684 167 T HA -0.088 4.262 4.350 0.000 0.000 0.267 167 T C 1.938 176.557 174.700 -0.136 0.000 1.036 167 T CA 1.789 63.830 62.100 -0.098 0.000 1.148 167 T CB -0.349 68.447 68.868 -0.119 0.000 0.863 167 T HN 0.463 nan 8.240 nan 0.000 0.436 168 R N 1.836 122.221 120.500 -0.192 0.000 2.096 168 R HA 0.131 4.471 4.340 0.000 0.000 0.235 168 R C 2.312 178.346 176.300 -0.444 0.000 1.127 168 R CA 1.654 57.534 56.100 -0.366 0.000 0.968 168 R CB -0.979 29.010 30.300 -0.519 0.000 0.861 168 R HN 0.323 nan 8.270 nan 0.000 0.440 169 A N 0.492 123.192 122.820 -0.201 0.000 2.070 169 A HA -0.069 4.251 4.320 0.000 0.000 0.220 169 A C 2.143 179.809 177.584 0.136 0.000 1.159 169 A CA 1.297 53.353 52.037 0.032 0.000 0.656 169 A CB -0.575 18.564 19.000 0.232 0.000 0.800 169 A HN 0.387 nan 8.150 nan 0.000 0.453 170 L N -0.815 120.417 121.223 0.016 0.000 2.201 170 L HA -0.110 4.230 4.340 0.000 0.000 0.212 170 L C 0.848 177.704 176.870 -0.024 0.000 1.105 170 L CA 0.931 55.779 54.840 0.013 0.000 0.775 170 L CB -0.287 41.756 42.059 -0.026 0.000 0.913 170 L HN 0.281 nan 8.230 nan 0.000 0.440 171 K N 0.911 121.261 120.400 -0.084 0.000 2.737 171 K HA 0.038 4.358 4.320 0.000 0.000 0.251 171 K C 1.463 178.030 176.600 -0.056 0.000 1.280 171 K CA -0.179 56.053 56.287 -0.092 0.000 1.219 171 K CB 0.129 32.540 32.500 -0.149 0.000 1.587 171 K HN 0.154 nan 8.250 nan 0.000 0.279 172 V N -0.889 119.010 119.914 -0.025 0.000 2.828 172 V HA -0.204 3.916 4.120 0.000 0.000 0.260 172 V C 1.176 177.271 176.094 0.001 0.000 1.101 172 V CA 1.262 63.543 62.300 -0.032 0.000 1.123 172 V CB -0.643 31.085 31.823 -0.158 0.000 0.704 172 V HN 0.542 nan 8.190 nan 0.000 0.493 173 E N 2.439 122.636 120.200 -0.006 0.000 2.261 173 E HA 0.264 4.614 4.350 0.000 0.000 0.308 173 E C 0.495 177.103 176.600 0.014 0.000 1.400 173 E CA 0.207 56.612 56.400 0.008 0.000 1.542 173 E CB -0.102 29.602 29.700 0.006 0.000 1.369 173 E HN 0.536 nan 8.360 nan 0.000 0.493 174 G N 2.219 111.078 108.800 0.099 0.000 2.351 174 G HA2 0.323 4.283 3.960 0.000 0.000 0.287 174 G HA3 0.323 4.283 3.960 0.000 0.000 0.287 174 G C -0.692 174.362 174.900 0.255 0.000 1.159 174 G CA -0.617 44.576 45.100 0.155 0.000 0.929 174 G HN 0.416 nan 8.290 nan 0.000 0.435 175 L N 6.002 127.357 121.223 0.220 0.000 2.260 175 L HA 0.457 4.797 4.340 0.000 0.000 0.289 175 L C -1.506 175.511 176.870 0.245 0.000 1.057 175 L CA -2.070 52.944 54.840 0.290 0.000 0.811 175 L CB 1.100 43.264 42.059 0.176 0.000 1.184 175 L HN 0.366 nan 8.230 nan 0.000 0.429 176 P HA 0.175 nan 4.420 nan 0.000 0.275 176 P C -0.241 177.107 177.300 0.080 0.000 1.228 176 P CA -0.387 62.777 63.100 0.107 0.000 0.786 176 P CB 1.151 32.826 31.700 -0.041 0.000 0.927 177 K N 1.397 121.821 120.400 0.041 0.000 2.097 177 K HA -0.054 4.266 4.320 0.000 0.000 0.205 177 K C 0.707 177.313 176.600 0.010 0.000 1.050 177 K CA 1.185 57.492 56.287 0.032 0.000 0.938 177 K CB 0.000 32.511 32.500 0.019 0.000 0.718 177 K HN 0.451 nan 8.250 nan 0.000 0.442 178 R N 0.529 121.012 120.500 -0.029 0.000 2.532 178 R HA 0.390 4.730 4.340 0.000 0.000 0.297 178 R C -1.522 174.707 176.300 -0.118 0.000 0.984 178 R CA -0.703 55.362 56.100 -0.057 0.000 0.884 178 R CB 1.807 32.070 30.300 -0.063 0.000 1.182 178 R HN -0.085 nan 8.270 nan 0.000 0.442 179 L N 3.286 124.436 121.223 -0.122 0.000 2.386 179 L HA 0.567 4.907 4.340 0.000 0.000 0.271 179 L C -1.783 174.983 176.870 -0.173 0.000 0.993 179 L CA -0.955 53.760 54.840 -0.208 0.000 0.819 179 L CB 1.953 43.869 42.059 -0.238 0.000 1.294 179 L HN 0.572 nan 8.230 nan 0.000 0.414 180 L N 5.655 126.748 121.223 -0.215 0.000 2.305 180 L HA 0.705 5.045 4.340 0.000 0.000 0.284 180 L C -1.281 175.473 176.870 -0.194 0.000 1.013 180 L CA -0.273 54.460 54.840 -0.178 0.000 0.819 180 L CB 1.743 43.694 42.059 -0.180 0.000 1.227 180 L HN 0.421 nan 8.230 nan 0.000 0.417 181 V N 6.716 126.543 119.914 -0.144 0.000 2.398 181 V HA 0.453 4.573 4.120 0.000 0.000 0.286 181 V C 0.130 176.146 176.094 -0.130 0.000 1.026 181 V CA -0.407 61.820 62.300 -0.123 0.000 0.868 181 V CB 1.523 33.305 31.823 -0.067 0.000 0.982 181 V HN 0.594 nan 8.190 nan 0.000 0.443 182 I N 4.533 125.009 120.570 -0.156 0.000 2.330 182 I HA 0.743 4.913 4.170 0.000 0.000 0.286 182 I C 0.574 176.637 176.117 -0.091 0.000 1.025 182 I CA -0.092 61.108 61.300 -0.166 0.000 1.197 182 I CB 1.316 39.130 38.000 -0.309 0.000 1.358 182 I HN 0.865 nan 8.210 nan 0.000 0.467 183 G N 3.376 112.143 108.800 -0.055 0.000 3.088 183 G HA2 0.097 4.057 3.960 0.000 0.000 0.620 183 G HA3 0.097 4.057 3.960 0.000 0.000 0.620 183 G C -0.099 174.788 174.900 -0.021 0.000 1.375 183 G CA -0.543 44.542 45.100 -0.026 0.000 1.016 183 G HN 0.848 nan 8.290 nan 0.000 0.590 184 G N 0.401 109.188 108.800 -0.020 0.000 3.702 184 G HA2 0.635 4.595 3.960 0.000 0.000 0.288 184 G HA3 0.635 4.595 3.960 0.000 0.000 0.288 184 G C 0.844 175.714 174.900 -0.051 0.000 1.193 184 G CA 0.901 45.981 45.100 -0.034 0.000 0.952 184 G HN 1.182 nan 8.290 nan 0.000 0.544 185 G N -0.942 107.839 108.800 -0.032 0.000 2.532 185 G HA2 0.481 4.442 3.960 0.000 0.000 0.291 185 G HA3 0.481 4.442 3.960 0.000 0.000 0.291 185 G C 1.318 176.207 174.900 -0.017 0.000 1.349 185 G CA 0.255 45.333 45.100 -0.037 0.000 1.038 185 G HN 0.306 nan 8.290 nan 0.000 0.518 186 A N -1.256 121.567 122.820 0.005 0.000 1.883 186 A HA -0.041 4.279 4.320 0.000 0.000 0.217 186 A C 2.549 180.178 177.584 0.076 0.000 1.186 186 A CA 2.262 54.331 52.037 0.055 0.000 0.624 186 A CB -0.822 18.241 19.000 0.105 0.000 0.822 186 A HN 0.538 nan 8.150 nan 0.000 0.444 187 V N -0.096 119.858 119.914 0.067 0.000 2.255 187 V HA -0.208 3.912 4.120 0.000 0.000 0.247 187 V C 2.857 178.993 176.094 0.069 0.000 1.051 187 V CA 2.142 64.485 62.300 0.072 0.000 1.018 187 V CB -1.641 30.219 31.823 0.062 0.000 0.641 187 V HN 0.609 nan 8.190 nan 0.000 0.445 188 G N -0.292 108.536 108.800 0.047 0.000 2.418 188 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 188 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 188 G C 1.605 176.531 174.900 0.044 0.000 1.158 188 G CA 1.070 46.192 45.100 0.036 0.000 0.771 188 G HN 0.459 nan 8.290 nan 0.000 0.545 189 L N -0.021 121.224 121.223 0.037 0.000 2.017 189 L HA -0.067 4.273 4.340 0.000 0.000 0.208 189 L C 2.901 179.815 176.870 0.074 0.000 1.073 189 L CA 1.451 56.315 54.840 0.040 0.000 0.745 189 L CB -0.459 41.612 42.059 0.020 0.000 0.894 189 L HN 0.266 nan 8.230 nan 0.000 0.432 190 E N 0.146 120.404 120.200 0.097 0.000 2.031 190 E HA -0.203 4.147 4.350 0.000 0.000 0.193 190 E C 2.339 179.019 176.600 0.133 0.000 0.994 190 E CA 1.124 57.597 56.400 0.122 0.000 0.800 190 E CB -0.148 29.639 29.700 0.143 0.000 0.752 190 E HN 0.403 nan 8.360 nan 0.000 0.447 191 L N 0.260 121.571 121.223 0.146 0.000 2.141 191 L HA -0.084 4.256 4.340 0.000 0.000 0.209 191 L C 2.513 179.541 176.870 0.263 0.000 1.094 191 L CA 0.979 55.954 54.840 0.225 0.000 0.763 191 L CB -0.596 41.592 42.059 0.214 0.000 0.908 191 L HN 0.241 nan 8.230 nan 0.000 0.437 192 G N -0.724 108.169 108.800 0.155 0.000 2.459 192 G HA2 -0.340 3.620 3.960 0.000 0.000 0.217 192 G HA3 -0.340 3.620 3.960 0.000 0.000 0.217 192 G C 1.504 176.489 174.900 0.142 0.000 1.183 192 G CA 0.750 45.926 45.100 0.127 0.000 0.776 192 G HN 0.371 nan 8.290 nan 0.000 0.552 193 Q N -0.260 119.604 119.800 0.106 0.000 2.119 193 Q HA -0.054 4.286 4.340 0.000 0.000 0.201 193 Q C 2.705 178.753 176.000 0.080 0.000 0.972 193 Q CA 1.199 57.045 55.803 0.073 0.000 0.847 193 Q CB -0.103 28.661 28.738 0.043 0.000 0.903 193 Q HN 0.326 nan 8.270 nan 0.000 0.433 194 V N 0.106 120.083 119.914 0.104 0.000 2.295 194 V HA -0.275 3.845 4.120 0.000 0.000 0.246 194 V C 1.719 177.808 176.094 -0.008 0.000 1.049 194 V CA 1.882 64.209 62.300 0.045 0.000 1.024 194 V CB -0.670 31.173 31.823 0.034 0.000 0.648 194 V HN 0.448 nan 8.190 nan 0.000 0.447 195 Y N 0.017 120.358 120.300 0.068 0.000 2.242 195 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 195 Y C 2.686 178.618 175.900 0.054 0.000 1.137 195 Y CA 1.885 60.029 58.100 0.073 0.000 1.181 195 Y CB -0.230 38.282 38.460 0.086 0.000 0.989 195 Y HN 0.123 nan 8.280 nan 0.000 0.527 196 R N 1.030 121.632 120.500 0.170 0.000 2.073 196 R HA -0.095 4.245 4.340 0.000 0.000 0.234 196 R C 1.990 178.336 176.300 0.077 0.000 1.134 196 R CA 1.601 57.764 56.100 0.105 0.000 0.952 196 R CB -0.382 29.963 30.300 0.075 0.000 0.850 196 R HN 0.179 nan 8.270 nan 0.000 0.433 197 R N -0.182 120.353 120.500 0.059 0.000 2.189 197 R HA 0.017 4.357 4.340 0.000 0.000 0.223 197 R C 1.585 177.911 176.300 0.043 0.000 1.092 197 R CA 1.047 57.184 56.100 0.061 0.000 0.989 197 R CB -0.188 30.140 30.300 0.047 0.000 0.876 197 R HN 0.259 nan 8.270 nan 0.000 0.457 198 L N -0.527 120.703 121.223 0.012 0.000 2.612 198 L HA 0.175 4.515 4.340 0.000 0.000 0.230 198 L C 0.993 177.879 176.870 0.026 0.000 1.140 198 L CA 0.351 55.185 54.840 -0.009 0.000 0.896 198 L CB 0.383 42.388 42.059 -0.091 0.000 1.065 198 L HN 0.452 nan 8.230 nan 0.000 0.447 199 G N -0.339 108.490 108.800 0.049 0.000 2.179 199 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 199 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 199 G C 0.308 175.251 174.900 0.072 0.000 0.990 199 G CA -0.103 45.030 45.100 0.054 0.000 0.646 199 G HN 0.442 nan 8.290 nan 0.000 0.517 200 A N -0.153 122.729 122.820 0.104 0.000 2.286 200 A HA 0.739 5.059 4.320 0.000 0.000 0.286 200 A C 0.252 177.884 177.584 0.079 0.000 1.097 200 A CA 0.095 52.202 52.037 0.117 0.000 0.821 200 A CB 0.639 19.767 19.000 0.213 0.000 1.076 200 A HN 0.443 nan 8.150 nan 0.000 0.490 201 E N 0.208 120.437 120.200 0.048 0.000 2.229 201 E HA 0.492 4.842 4.350 0.000 0.000 0.283 201 E C -1.307 175.300 176.600 0.013 0.000 1.030 201 E CA -0.174 56.239 56.400 0.023 0.000 0.836 201 E CB 0.890 30.591 29.700 0.003 0.000 1.068 201 E HN 0.370 nan 8.360 nan 0.000 0.401 202 V N 3.626 123.548 119.914 0.014 0.000 2.588 202 V HA 0.393 4.513 4.120 0.000 0.000 0.304 202 V C -0.386 175.698 176.094 -0.015 0.000 1.042 202 V CA -0.767 61.533 62.300 -0.000 0.000 0.877 202 V CB 2.235 34.078 31.823 0.034 0.000 0.996 202 V HN 0.686 nan 8.190 nan 0.000 0.425 203 T N 5.759 120.290 114.554 -0.038 0.000 2.841 203 T HA 0.647 4.997 4.350 0.000 0.000 0.285 203 T C -0.847 173.822 174.700 -0.052 0.000 0.991 203 T CA -0.279 61.796 62.100 -0.041 0.000 0.966 203 T CB 1.488 70.326 68.868 -0.050 0.000 0.962 203 T HN 0.553 nan 8.240 nan 0.000 0.438 204 L N 5.382 126.580 121.223 -0.041 0.000 2.362 204 L HA 0.785 5.125 4.340 0.000 0.000 0.275 204 L C -0.967 175.876 176.870 -0.046 0.000 0.998 204 L CA -1.103 53.709 54.840 -0.046 0.000 0.820 204 L CB 1.043 43.084 42.059 -0.030 0.000 1.270 204 L HN 0.750 nan 8.230 nan 0.000 0.415 205 I N 1.168 121.705 120.570 -0.055 0.000 2.433 205 I HA 0.693 4.863 4.170 0.000 0.000 0.292 205 I C -1.121 174.980 176.117 -0.027 0.000 1.001 205 I CA -0.444 60.830 61.300 -0.044 0.000 1.119 205 I CB 1.926 39.896 38.000 -0.050 0.000 1.289 205 I HN 0.606 nan 8.210 nan 0.000 0.438 206 E N 4.627 124.819 120.200 -0.013 0.000 2.224 206 E HA 0.224 4.574 4.350 0.000 0.000 0.265 206 E C -0.474 176.152 176.600 0.043 0.000 0.878 206 E CA -0.693 55.715 56.400 0.014 0.000 0.759 206 E CB 1.272 30.967 29.700 -0.009 0.000 1.164 206 E HN 0.633 nan 8.360 nan 0.000 0.414 207 Y N 4.951 125.229 120.300 -0.037 0.000 2.145 207 Y HA -0.094 4.456 4.550 0.000 0.000 0.286 207 Y C 0.748 176.633 175.900 -0.024 0.000 1.145 207 Y CA 1.440 59.524 58.100 -0.026 0.000 1.148 207 Y CB 0.217 38.665 38.460 -0.020 0.000 0.981 207 Y HN 0.469 nan 8.280 nan 0.000 0.507 208 M N 0.295 119.994 119.600 0.165 0.000 2.043 208 M HA 0.028 4.508 4.480 0.000 0.000 0.272 208 M C -1.226 175.059 176.300 -0.025 0.000 1.279 208 M CA -1.794 53.550 55.300 0.074 0.000 1.109 208 M CB -0.971 31.674 32.600 0.075 0.000 1.377 208 M HN -0.065 nan 8.290 nan 0.000 0.469 209 P HA -0.012 nan 4.420 nan 0.000 0.225 209 P C -0.266 177.011 177.300 -0.039 0.000 1.156 209 P CA 1.152 64.226 63.100 -0.043 0.000 0.787 209 P CB 0.392 32.072 31.700 -0.034 0.000 0.802 210 E N -0.884 119.294 120.200 -0.037 0.000 2.408 210 E HA 0.369 4.719 4.350 0.000 0.000 0.275 210 E C -0.530 176.033 176.600 -0.061 0.000 0.935 210 E CA -1.147 55.224 56.400 -0.048 0.000 0.775 210 E CB 0.967 30.636 29.700 -0.052 0.000 1.277 210 E HN -0.100 nan 8.360 nan 0.000 0.455 211 I N 0.065 120.588 120.570 -0.079 0.000 3.004 211 I HA 0.275 4.445 4.170 0.000 0.000 0.287 211 I C 0.367 176.382 176.117 -0.169 0.000 1.144 211 I CA -0.720 60.518 61.300 -0.105 0.000 1.353 211 I CB 0.230 38.166 38.000 -0.107 0.000 1.417 211 I HN 0.681 nan 8.210 nan 0.000 0.602 212 L N 1.477 122.578 121.223 -0.203 0.000 3.739 212 L HA -0.169 4.171 4.340 0.000 0.000 0.442 212 L C -1.231 175.513 176.870 -0.211 0.000 1.241 212 L CA -0.345 54.315 54.840 -0.299 0.000 0.819 212 L CB -1.696 39.991 42.059 -0.620 0.000 1.679 212 L HN 0.714 nan 8.230 nan 0.000 0.889 213 P HA -0.244 nan 4.420 nan 0.000 0.218 213 P C 1.119 178.388 177.300 -0.051 0.000 1.152 213 P CA 1.545 64.606 63.100 -0.065 0.000 0.857 213 P CB 0.094 31.779 31.700 -0.026 0.000 0.787 214 Q N -0.458 119.313 119.800 -0.048 0.000 2.444 214 Q HA 0.174 4.514 4.340 0.000 0.000 0.206 214 Q C 1.391 177.419 176.000 0.047 0.000 0.948 214 Q CA 0.540 56.344 55.803 0.002 0.000 0.946 214 Q CB -0.203 28.545 28.738 0.017 0.000 1.027 214 Q HN 0.266 nan 8.270 nan 0.000 0.513 215 G N 0.591 109.381 108.800 -0.016 0.000 2.601 215 G HA2 0.247 4.207 3.960 0.000 0.000 0.317 215 G HA3 0.247 4.207 3.960 0.000 0.000 0.317 215 G C -1.202 173.701 174.900 0.004 0.000 1.246 215 G CA -0.662 44.516 45.100 0.130 0.000 1.012 215 G HN 0.069 nan 8.290 nan 0.000 0.494 216 D N -0.037 120.302 120.400 -0.102 0.000 2.412 216 D HA 0.171 4.811 4.640 0.000 0.000 0.257 216 D C -1.252 174.994 176.300 -0.090 0.000 1.217 216 D CA -1.010 52.752 54.000 -0.398 0.000 0.897 216 D CB 1.367 41.560 40.800 -1.011 0.000 1.132 216 D HN -0.060 nan 8.370 nan 0.000 0.493 217 P HA -0.177 nan 4.420 nan 0.000 0.216 217 P C 0.980 178.275 177.300 -0.009 0.000 1.150 217 P CA 1.031 64.102 63.100 -0.049 0.000 0.843 217 P CB 0.159 31.829 31.700 -0.050 0.000 0.787 218 E N -0.646 119.549 120.200 -0.008 0.000 2.028 218 E HA -0.163 4.187 4.350 0.000 0.000 0.191 218 E C 1.777 178.428 176.600 0.085 0.000 0.988 218 E CA 2.123 58.538 56.400 0.026 0.000 0.799 218 E CB -0.366 29.343 29.700 0.015 0.000 0.755 218 E HN 0.265 nan 8.360 nan 0.000 0.447 219 T N -1.361 113.288 114.554 0.157 0.000 2.904 219 T HA 0.065 4.415 4.350 0.000 0.000 0.267 219 T C 1.984 176.898 174.700 0.356 0.000 1.059 219 T CA 0.872 63.138 62.100 0.277 0.000 1.137 219 T CB -0.223 68.848 68.868 0.338 0.000 0.879 219 T HN 0.214 nan 8.240 nan 0.000 0.467 220 A N 1.899 124.880 122.820 0.267 0.000 1.933 220 A HA 0.323 4.643 4.320 0.000 0.000 0.218 220 A C 2.793 180.385 177.584 0.013 0.000 1.175 220 A CA 1.746 53.784 52.037 0.001 0.000 0.628 220 A CB -1.344 17.560 19.000 -0.161 0.000 0.814 220 A HN 0.708 nan 8.150 nan 0.000 0.444 221 A N -0.135 122.705 122.820 0.033 0.000 1.877 221 A HA -0.050 4.270 4.320 0.000 0.000 0.216 221 A C 2.147 179.754 177.584 0.040 0.000 1.186 221 A CA 1.483 53.532 52.037 0.020 0.000 0.620 221 A CB -0.632 18.378 19.000 0.016 0.000 0.822 221 A HN 0.470 nan 8.150 nan 0.000 0.443 222 L N -0.942 120.323 121.223 0.071 0.000 2.083 222 L HA -0.179 4.161 4.340 0.000 0.000 0.209 222 L C 2.553 179.471 176.870 0.080 0.000 1.083 222 L CA 1.129 56.013 54.840 0.073 0.000 0.752 222 L CB -0.516 41.597 42.059 0.089 0.000 0.899 222 L HN 0.501 nan 8.230 nan 0.000 0.433 223 L N 0.264 121.551 121.223 0.106 0.000 2.056 223 L HA -0.190 4.150 4.340 0.000 0.000 0.207 223 L C 2.711 179.607 176.870 0.043 0.000 1.078 223 L CA 1.670 56.566 54.840 0.094 0.000 0.749 223 L CB -0.656 41.473 42.059 0.116 0.000 0.901 223 L HN 0.135 nan 8.230 nan 0.000 0.433 224 R N -0.505 120.007 120.500 0.019 0.000 2.091 224 R HA -0.173 4.167 4.340 0.000 0.000 0.238 224 R C 2.400 178.707 176.300 0.012 0.000 1.136 224 R CA 1.768 57.870 56.100 0.003 0.000 0.959 224 R CB -0.225 30.068 30.300 -0.011 0.000 0.856 224 R HN 0.368 nan 8.270 nan 0.000 0.437 225 R N -0.139 120.373 120.500 0.019 0.000 2.096 225 R HA -0.056 4.284 4.340 0.000 0.000 0.235 225 R C 2.368 178.683 176.300 0.025 0.000 1.127 225 R CA 1.289 57.401 56.100 0.020 0.000 0.968 225 R CB -0.313 29.999 30.300 0.022 0.000 0.861 225 R HN 0.298 nan 8.270 nan 0.000 0.440 226 A N 1.188 124.028 122.820 0.033 0.000 1.930 226 A HA -0.088 4.232 4.320 0.000 0.000 0.217 226 A C 2.147 179.745 177.584 0.024 0.000 1.175 226 A CA 1.015 53.073 52.037 0.035 0.000 0.627 226 A CB -0.406 18.621 19.000 0.044 0.000 0.815 226 A HN 0.162 nan 8.150 nan 0.000 0.443 227 L N -0.799 120.435 121.223 0.020 0.000 2.093 227 L HA -0.170 4.170 4.340 0.000 0.000 0.208 227 L C 2.527 179.405 176.870 0.013 0.000 1.085 227 L CA 1.451 56.298 54.840 0.012 0.000 0.755 227 L CB -0.552 41.514 42.059 0.011 0.000 0.904 227 L HN 0.471 nan 8.230 nan 0.000 0.435 228 E N -0.011 120.196 120.200 0.013 0.000 2.150 228 E HA -0.233 4.117 4.350 0.000 0.000 0.193 228 E C 2.042 178.652 176.600 0.017 0.000 0.985 228 E CA 0.797 57.204 56.400 0.011 0.000 0.814 228 E CB 0.091 29.795 29.700 0.007 0.000 0.752 228 E HN 0.198 nan 8.360 nan 0.000 0.466 229 K N 1.218 121.631 120.400 0.023 0.000 2.147 229 K HA -0.126 4.194 4.320 0.000 0.000 0.205 229 K C 1.436 178.060 176.600 0.040 0.000 1.049 229 K CA 1.043 57.348 56.287 0.030 0.000 0.936 229 K CB 0.115 32.637 32.500 0.037 0.000 0.722 229 K HN 0.096 nan 8.250 nan 0.000 0.446 230 E N -1.268 118.955 120.200 0.038 0.000 2.502 230 E HA 0.064 4.414 4.350 0.000 0.000 0.194 230 E C 0.514 177.139 176.600 0.043 0.000 1.062 230 E CA 0.469 56.900 56.400 0.051 0.000 0.867 230 E CB 0.330 30.043 29.700 0.022 0.000 0.888 230 E HN 0.482 nan 8.360 nan 0.000 0.510 231 G N 1.627 110.445 108.800 0.030 0.000 2.159 231 G HA2 -0.254 3.706 3.960 0.000 0.000 0.227 231 G HA3 -0.254 3.706 3.960 0.000 0.000 0.227 231 G C 0.226 175.138 174.900 0.019 0.000 0.986 231 G CA -0.363 44.751 45.100 0.024 0.000 0.651 231 G HN 0.219 nan 8.290 nan 0.000 0.523 232 I N 1.294 121.875 120.570 0.017 0.000 2.337 232 I HA 0.327 4.497 4.170 0.000 0.000 0.291 232 I C 0.881 176.999 176.117 0.003 0.000 1.046 232 I CA -0.855 60.453 61.300 0.012 0.000 1.324 232 I CB 0.969 38.978 38.000 0.015 0.000 1.409 232 I HN 0.071 nan 8.210 nan 0.000 0.494 233 R N 6.491 126.989 120.500 -0.004 0.000 2.242 233 R HA 0.334 4.674 4.340 0.000 0.000 0.334 233 R C -1.355 174.936 176.300 -0.016 0.000 1.071 233 R CA -0.140 55.954 56.100 -0.010 0.000 0.922 233 R CB 0.412 30.704 30.300 -0.015 0.000 1.023 233 R HN 0.434 nan 8.270 nan 0.000 0.458 234 V N 6.849 126.754 119.914 -0.015 0.000 2.347 234 V HA 0.475 4.595 4.120 0.000 0.000 0.280 234 V C -0.080 175.999 176.094 -0.024 0.000 1.021 234 V CA -0.825 61.463 62.300 -0.020 0.000 0.847 234 V CB 1.363 33.175 31.823 -0.018 0.000 0.990 234 V HN 0.611 nan 8.190 nan 0.000 0.444 235 R N 3.228 123.711 120.500 -0.029 0.000 2.239 235 R HA 0.433 4.773 4.340 0.000 0.000 0.332 235 R C 0.312 176.590 176.300 -0.037 0.000 0.988 235 R CA -0.323 55.757 56.100 -0.032 0.000 0.859 235 R CB 1.269 31.549 30.300 -0.033 0.000 1.148 235 R HN 0.864 nan 8.270 nan 0.000 0.482 236 T N -1.438 113.091 114.554 -0.041 0.000 2.881 236 T HA 0.276 4.626 4.350 0.000 0.000 0.278 236 T C 0.370 175.026 174.700 -0.073 0.000 0.982 236 T CA -0.811 61.259 62.100 -0.049 0.000 0.989 236 T CB 1.203 70.044 68.868 -0.045 0.000 1.058 236 T HN 0.601 nan 8.240 nan 0.000 0.529 237 K N -0.303 120.034 120.400 -0.104 0.000 3.088 237 K HA -0.147 4.173 4.320 0.000 0.000 0.273 237 K C -0.409 176.074 176.600 -0.196 0.000 1.111 237 K CA 0.898 57.079 56.287 -0.176 0.000 0.803 237 K CB -2.238 30.183 32.500 -0.131 0.000 1.226 237 K HN 0.806 nan 8.250 nan 0.000 0.485 238 T N 0.700 115.166 114.554 -0.146 0.000 2.893 238 T HA 0.472 4.822 4.350 0.000 0.000 0.291 238 T C -0.549 174.125 174.700 -0.044 0.000 1.028 238 T CA -0.997 61.045 62.100 -0.098 0.000 0.995 238 T CB 2.102 70.939 68.868 -0.051 0.000 1.051 238 T HN 0.280 nan 8.240 nan 0.000 0.470 239 K N 0.236 120.641 120.400 0.009 0.000 2.375 239 K HA 0.850 5.170 4.320 0.000 0.000 0.249 239 K C -1.080 175.582 176.600 0.103 0.000 0.942 239 K CA -1.099 55.262 56.287 0.124 0.000 0.806 239 K CB 2.037 34.705 32.500 0.280 0.000 1.227 239 K HN 0.578 nan 8.250 nan 0.000 0.430 240 A N 2.785 125.664 122.820 0.098 0.000 2.320 240 A HA 0.377 4.697 4.320 0.000 0.000 0.287 240 A C 0.564 178.349 177.584 0.336 0.000 1.181 240 A CA -0.791 51.343 52.037 0.161 0.000 0.831 240 A CB 0.635 19.584 19.000 -0.086 0.000 1.102 240 A HN 0.595 nan 8.150 nan 0.000 0.513 241 V N 2.685 122.788 119.914 0.315 0.000 2.436 241 V HA 0.395 4.515 4.120 0.000 0.000 0.240 241 V C 1.412 177.598 176.094 0.153 0.000 1.040 241 V CA 1.543 63.975 62.300 0.220 0.000 1.052 241 V CB -0.657 31.233 31.823 0.112 0.000 0.707 241 V HN 1.183 nan 8.190 nan 0.000 0.469 242 G N -1.214 107.623 108.800 0.061 0.000 2.489 242 G HA2 0.557 4.517 3.960 0.000 0.000 0.305 242 G HA3 0.557 4.517 3.960 0.000 0.000 0.305 242 G C -1.951 172.846 174.900 -0.171 0.000 1.311 242 G CA 0.016 44.905 45.100 -0.352 0.000 0.813 242 G HN 0.387 nan 8.290 nan 0.000 0.480 243 Y N -1.542 118.521 120.300 -0.395 0.000 2.689 243 Y HA 0.849 5.399 4.550 0.000 0.000 0.333 243 Y C -1.311 174.516 175.900 -0.122 0.000 1.208 243 Y CA -1.261 56.740 58.100 -0.165 0.000 1.055 243 Y CB 1.783 40.185 38.460 -0.096 0.000 1.304 243 Y HN 0.751 nan 8.280 nan 0.000 0.455 244 E N 2.241 122.428 120.200 -0.021 0.000 2.263 244 E HA 0.285 4.635 4.350 0.000 0.000 0.268 244 E C -1.727 174.937 176.600 0.106 0.000 0.884 244 E CA -1.046 55.283 56.400 -0.118 0.000 0.766 244 E CB 1.765 31.397 29.700 -0.113 0.000 1.196 244 E HN 0.694 nan 8.360 nan 0.000 0.416 245 K N 4.234 124.685 120.400 0.085 0.000 2.349 245 K HA 0.205 4.525 4.320 0.000 0.000 0.288 245 K C -0.728 175.906 176.600 0.058 0.000 1.058 245 K CA 0.122 56.499 56.287 0.151 0.000 0.953 245 K CB 0.604 33.194 32.500 0.149 0.000 0.997 245 K HN 0.385 nan 8.250 nan 0.000 0.477 246 K N 2.399 122.850 120.400 0.084 0.000 2.349 246 K HA 0.187 4.507 4.320 0.000 0.000 0.243 246 K C 0.522 177.157 176.600 0.060 0.000 1.058 246 K CA -1.011 55.285 56.287 0.014 0.000 0.871 246 K CB 1.130 33.551 32.500 -0.131 0.000 1.337 246 K HN 0.273 nan 8.250 nan 0.000 0.469 247 K N 1.464 121.885 120.400 0.035 0.000 2.211 247 K HA -0.158 4.162 4.320 0.000 0.000 0.204 247 K C 0.486 177.125 176.600 0.065 0.000 1.047 247 K CA 2.015 58.327 56.287 0.043 0.000 0.935 247 K CB 0.026 32.541 32.500 0.026 0.000 0.728 247 K HN 0.673 nan 8.250 nan 0.000 0.452 248 D N -1.546 118.919 120.400 0.109 0.000 2.395 248 D HA 0.150 4.790 4.640 0.000 0.000 0.213 248 D C 0.727 177.083 176.300 0.092 0.000 1.110 248 D CA 0.335 54.395 54.000 0.101 0.000 0.835 248 D CB 0.494 41.363 40.800 0.114 0.000 0.965 248 D HN 0.252 nan 8.370 nan 0.000 0.505 249 G N 0.029 108.903 108.800 0.122 0.000 2.334 249 G HA2 0.121 4.081 3.960 0.000 0.000 0.315 249 G HA3 0.121 4.081 3.960 0.000 0.000 0.315 249 G C -1.814 173.193 174.900 0.179 0.000 1.284 249 G CA -1.000 44.153 45.100 0.087 0.000 0.985 249 G HN 0.088 nan 8.290 nan 0.000 0.504 250 L N 1.866 123.146 121.223 0.096 0.000 2.313 250 L HA 0.378 4.718 4.340 0.000 0.000 0.282 250 L C 0.644 177.607 176.870 0.154 0.000 1.092 250 L CA -0.229 54.710 54.840 0.164 0.000 0.831 250 L CB 0.495 42.553 42.059 -0.003 0.000 1.159 250 L HN 0.529 nan 8.230 nan 0.000 0.442 251 H N 3.535 122.674 119.070 0.115 0.000 2.741 251 H HA 0.302 4.858 4.556 0.000 0.000 0.282 251 H C -0.634 174.775 175.328 0.135 0.000 1.122 251 H CA -0.615 55.485 56.048 0.087 0.000 1.293 251 H CB 1.066 30.860 29.762 0.054 0.000 1.415 251 H HN 0.265 nan 8.280 nan 0.000 0.472 252 V N 4.748 124.769 119.914 0.179 0.000 2.465 252 V HA 0.136 4.256 4.120 0.000 0.000 0.279 252 V C 0.696 176.892 176.094 0.170 0.000 1.045 252 V CA -0.544 61.893 62.300 0.229 0.000 0.938 252 V CB 1.543 33.489 31.823 0.205 0.000 0.986 252 V HN 0.644 nan 8.190 nan 0.000 0.467 253 R N 5.053 125.662 120.500 0.182 0.000 2.221 253 R HA 0.583 4.923 4.340 0.000 0.000 0.327 253 R C -1.127 175.252 176.300 0.131 0.000 1.033 253 R CA -0.406 55.768 56.100 0.123 0.000 0.887 253 R CB 0.510 30.862 30.300 0.086 0.000 1.057 253 R HN 0.693 nan 8.270 nan 0.000 0.455 254 L N 3.258 124.532 121.223 0.085 0.000 2.313 254 L HA 0.574 4.914 4.340 0.000 0.000 0.268 254 L C 0.302 177.200 176.870 0.045 0.000 1.010 254 L CA -0.677 54.202 54.840 0.066 0.000 0.814 254 L CB 1.991 44.071 42.059 0.035 0.000 1.304 254 L HN 0.804 nan 8.230 nan 0.000 0.441 255 E N -0.719 119.500 120.200 0.032 0.000 2.777 255 E HA 0.013 4.363 4.350 0.000 0.000 0.103 255 E C 0.077 176.666 176.600 -0.018 0.000 1.454 255 E CA -0.373 56.035 56.400 0.014 0.000 0.881 255 E CB 0.291 30.008 29.700 0.029 0.000 1.988 255 E HN 0.626 nan 8.360 nan 0.000 0.584 256 E N 0.909 121.024 120.200 -0.142 0.000 2.786 256 E HA -0.361 3.989 4.350 0.000 0.000 0.270 256 E C 0.649 177.247 176.600 -0.004 0.000 1.105 256 E CA 2.304 58.681 56.400 -0.038 0.000 1.515 256 E CB -1.003 28.676 29.700 -0.036 0.000 1.357 256 E HN 0.717 nan 8.360 nan 0.000 0.396 257 G N -0.767 108.022 108.800 -0.019 0.000 2.361 257 G HA2 0.499 4.459 3.960 0.000 0.000 0.331 257 G HA3 0.499 4.459 3.960 0.000 0.000 0.331 257 G C 0.119 175.016 174.900 -0.006 0.000 1.324 257 G CA 0.588 45.689 45.100 0.001 0.000 0.984 257 G HN 1.332 nan 8.290 nan 0.000 0.586 258 G N -2.045 106.756 108.800 0.001 0.000 2.318 258 G HA2 0.589 4.549 3.960 0.000 0.000 0.367 258 G HA3 0.589 4.549 3.960 0.000 0.000 0.367 258 G C 0.171 175.072 174.900 0.001 0.000 1.260 258 G CA 0.998 46.098 45.100 -0.002 0.000 1.055 258 G HN 2.563 nan 8.290 nan 0.000 0.484 259 E N -0.329 119.871 120.200 -0.001 0.000 2.694 259 E HA 0.468 4.818 4.350 0.000 0.000 0.250 259 E C 0.915 177.518 176.600 0.004 0.000 0.963 259 E CA 0.955 57.356 56.400 0.002 0.000 0.949 259 E CB -0.026 29.674 29.700 -0.001 0.000 0.911 259 E HN 2.231 nan 8.360 nan 0.000 0.500 260 G N 2.324 111.130 108.800 0.011 0.000 2.332 260 G HA2 0.498 4.458 3.960 0.000 0.000 0.310 260 G HA3 0.498 4.458 3.960 0.000 0.000 0.310 260 G C 0.087 174.999 174.900 0.019 0.000 1.123 260 G CA -0.033 45.078 45.100 0.017 0.000 0.873 260 G HN 0.838 nan 8.290 nan 0.000 0.460 261 E N 0.632 120.843 120.200 0.019 0.000 2.284 261 E HA 0.606 4.957 4.350 0.000 0.000 0.255 261 E C -0.599 176.019 176.600 0.031 0.000 1.052 261 E CA -0.936 55.475 56.400 0.019 0.000 0.904 261 E CB 1.889 31.594 29.700 0.008 0.000 1.217 261 E HN 0.457 nan 8.360 nan 0.000 0.438 262 E N 0.545 120.761 120.200 0.027 0.000 2.266 262 E HA 0.447 4.797 4.350 0.000 0.000 0.268 262 E C -1.968 174.629 176.600 -0.004 0.000 0.879 262 E CA -1.013 55.407 56.400 0.034 0.000 0.762 262 E CB 2.475 32.213 29.700 0.064 0.000 1.199 262 E HN 0.301 nan 8.360 nan 0.000 0.422 263 V N 4.400 124.304 119.914 -0.017 0.000 2.709 263 V HA 0.498 4.618 4.120 0.000 0.000 0.308 263 V C -1.385 174.642 176.094 -0.111 0.000 1.062 263 V CA -0.518 61.747 62.300 -0.057 0.000 0.901 263 V CB 1.962 33.762 31.823 -0.038 0.000 1.003 263 V HN 0.559 nan 8.190 nan 0.000 0.425 264 V N 7.263 127.073 119.914 -0.173 0.000 2.370 264 V HA 0.720 4.840 4.120 0.000 0.000 0.283 264 V C -0.038 175.968 176.094 -0.145 0.000 1.023 264 V CA -0.094 62.060 62.300 -0.243 0.000 0.857 264 V CB 1.398 32.987 31.823 -0.389 0.000 0.985 264 V HN 0.940 nan 8.190 nan 0.000 0.443 265 V N 1.030 120.871 119.914 -0.122 0.000 3.167 265 V HA 0.662 4.782 4.120 0.000 0.000 0.310 265 V C 0.064 176.088 176.094 -0.116 0.000 1.207 265 V CA -0.646 61.583 62.300 -0.118 0.000 1.059 265 V CB 2.452 34.188 31.823 -0.145 0.000 1.079 265 V HN 0.579 nan 8.190 nan 0.000 0.446 266 D N -0.207 120.112 120.400 -0.135 0.000 2.355 266 D HA 0.237 4.877 4.640 0.000 0.000 0.206 266 D C 0.115 176.274 176.300 -0.235 0.000 1.010 266 D CA 0.774 54.696 54.000 -0.130 0.000 0.875 266 D CB 0.888 41.634 40.800 -0.090 0.000 0.966 266 D HN 0.469 nan 8.370 nan 0.000 0.512 267 K N 0.069 120.255 120.400 -0.357 0.000 2.546 267 K HA 0.402 4.722 4.320 0.000 0.000 0.264 267 K C -1.685 174.572 176.600 -0.572 0.000 0.937 267 K CA -0.563 55.358 56.287 -0.609 0.000 0.833 267 K CB 2.826 34.702 32.500 -1.041 0.000 1.378 267 K HN -0.326 nan 8.250 nan 0.000 0.432 268 V N 3.472 123.038 119.914 -0.579 0.000 2.495 268 V HA 0.551 4.671 4.120 0.000 0.000 0.298 268 V C -1.155 174.743 176.094 -0.327 0.000 1.031 268 V CA -0.962 61.094 62.300 -0.406 0.000 0.871 268 V CB 1.520 33.151 31.823 -0.320 0.000 0.988 268 V HN 0.644 nan 8.190 nan 0.000 0.432 269 L N 6.569 127.658 121.223 -0.222 0.000 2.298 269 L HA 0.661 5.002 4.340 0.000 0.000 0.284 269 L C -0.530 176.320 176.870 -0.033 0.000 1.013 269 L CA -0.065 54.753 54.840 -0.037 0.000 0.824 269 L CB 1.652 43.695 42.059 -0.026 0.000 1.221 269 L HN 0.423 nan 8.230 nan 0.000 0.418 270 V N 5.431 125.394 119.914 0.082 0.000 2.364 270 V HA 0.702 4.822 4.120 0.000 0.000 0.272 270 V C 0.669 176.840 176.094 0.127 0.000 1.036 270 V CA 0.136 62.463 62.300 0.045 0.000 0.880 270 V CB 0.850 32.697 31.823 0.040 0.000 0.991 270 V HN 0.947 nan 8.190 nan 0.000 0.460 271 A N 4.273 127.121 122.820 0.047 0.000 3.308 271 A HA 0.503 4.823 4.320 0.000 0.000 0.275 271 A C 0.533 178.137 177.584 0.034 0.000 0.950 271 A CA 0.023 52.097 52.037 0.061 0.000 0.987 271 A CB 0.734 19.762 19.000 0.047 0.000 1.146 271 A HN 1.043 nan 8.150 nan 0.000 0.488 272 V N -2.749 117.187 119.914 0.036 0.000 3.649 272 V HA 0.624 4.744 4.120 0.000 0.000 0.275 272 V C 0.793 176.906 176.094 0.031 0.000 1.281 272 V CA 0.638 62.947 62.300 0.015 0.000 1.143 272 V CB -0.818 31.000 31.823 -0.008 0.000 0.892 272 V HN 1.590 nan 8.190 nan 0.000 0.441 273 G N 0.106 108.940 108.800 0.057 0.000 2.320 273 G HA2 0.278 4.238 3.960 0.000 0.000 0.274 273 G HA3 0.278 4.238 3.960 0.000 0.000 0.274 273 G C -1.376 173.576 174.900 0.087 0.000 1.324 273 G CA -0.821 44.318 45.100 0.066 0.000 0.957 273 G HN 0.345 nan 8.290 nan 0.000 0.481 274 R N -0.265 120.297 120.500 0.103 0.000 2.867 274 R HA 0.703 5.043 4.340 0.000 0.000 0.268 274 R C -0.860 175.493 176.300 0.088 0.000 1.014 274 R CA -0.903 55.255 56.100 0.096 0.000 0.946 274 R CB 2.225 32.584 30.300 0.099 0.000 1.208 274 R HN 0.689 nan 8.270 nan 0.000 0.477 275 K N 2.555 122.965 120.400 0.018 0.000 2.376 275 K HA 0.410 4.730 4.320 0.000 0.000 0.257 275 K C -2.411 174.085 176.600 -0.173 0.000 0.939 275 K CA -1.904 54.334 56.287 -0.080 0.000 0.809 275 K CB 1.980 34.460 32.500 -0.033 0.000 1.121 275 K HN 0.221 nan 8.250 nan 0.000 0.425 276 P HA 0.059 nan 4.420 nan 0.000 0.271 276 P C -0.992 176.184 177.300 -0.206 0.000 1.216 276 P CA -0.090 62.777 63.100 -0.388 0.000 0.776 276 P CB 0.572 31.782 31.700 -0.816 0.000 0.881 277 R N 1.798 122.233 120.500 -0.109 0.000 3.701 277 R HA 0.158 4.498 4.340 0.000 0.000 0.210 277 R C 0.774 177.052 176.300 -0.037 0.000 1.598 277 R CA 0.092 56.165 56.100 -0.045 0.000 1.427 277 R CB -0.600 29.699 30.300 -0.003 0.000 1.339 277 R HN 0.546 nan 8.270 nan 0.000 0.720 278 T N -3.280 111.237 114.554 -0.061 0.000 3.182 278 T HA 0.193 4.543 4.350 0.000 0.000 0.277 278 T C 0.296 174.988 174.700 -0.013 0.000 1.013 278 T CA -0.455 61.619 62.100 -0.044 0.000 0.900 278 T CB 0.368 69.192 68.868 -0.074 0.000 1.098 278 T HN 0.230 nan 8.240 nan 0.000 0.543 279 E N 0.699 120.905 120.200 0.009 0.000 2.222 279 E HA 0.533 4.883 4.350 0.000 0.000 0.272 279 E C 0.797 177.445 176.600 0.079 0.000 0.982 279 E CA -0.660 55.756 56.400 0.027 0.000 0.842 279 E CB 1.224 30.931 29.700 0.011 0.000 1.144 279 E HN 0.316 nan 8.360 nan 0.000 0.397 280 G N 1.697 110.542 108.800 0.074 0.000 2.203 280 G HA2 -0.272 3.688 3.960 0.000 0.000 0.263 280 G HA3 -0.272 3.688 3.960 0.000 0.000 0.263 280 G C 0.413 175.423 174.900 0.184 0.000 1.012 280 G CA 0.511 45.682 45.100 0.118 0.000 0.749 280 G HN 0.415 nan 8.290 nan 0.000 0.512 281 L N -0.143 121.141 121.223 0.103 0.000 2.590 281 L HA 0.535 4.875 4.340 0.000 0.000 0.227 281 L C 2.008 178.891 176.870 0.021 0.000 1.099 281 L CA 1.603 56.468 54.840 0.042 0.000 0.872 281 L CB 0.001 42.056 42.059 -0.008 0.000 1.088 281 L HN 1.348 nan 8.230 nan 0.000 0.479 282 G N -0.480 108.341 108.800 0.035 0.000 2.160 282 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 282 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 282 G C 0.984 175.891 174.900 0.011 0.000 1.022 282 G CA 0.580 45.695 45.100 0.025 0.000 0.741 282 G HN 0.362 nan 8.290 nan 0.000 0.508 283 L N -0.495 120.732 121.223 0.007 0.000 2.056 283 L HA -0.027 4.313 4.340 0.000 0.000 0.207 283 L C 2.647 179.519 176.870 0.003 0.000 1.078 283 L CA 2.139 56.979 54.840 0.001 0.000 0.749 283 L CB -0.362 41.695 42.059 -0.003 0.000 0.901 283 L HN 0.587 nan 8.230 nan 0.000 0.433 284 E N 1.108 121.312 120.200 0.006 0.000 2.023 284 E HA -0.264 4.086 4.350 0.000 0.000 0.196 284 E C 2.116 178.720 176.600 0.006 0.000 1.003 284 E CA 1.591 57.995 56.400 0.006 0.000 0.809 284 E CB 0.009 29.713 29.700 0.007 0.000 0.755 284 E HN 0.289 nan 8.360 nan 0.000 0.449 285 K N -0.204 120.202 120.400 0.009 0.000 2.211 285 K HA -0.093 4.227 4.320 0.000 0.000 0.204 285 K C 1.933 178.538 176.600 0.008 0.000 1.047 285 K CA 0.962 57.254 56.287 0.010 0.000 0.935 285 K CB -0.064 32.444 32.500 0.013 0.000 0.728 285 K HN 0.237 nan 8.250 nan 0.000 0.452 286 A N 0.159 122.983 122.820 0.006 0.000 2.169 286 A HA 0.179 4.499 4.320 0.000 0.000 0.212 286 A C 1.486 179.070 177.584 -0.000 0.000 1.153 286 A CA 0.855 52.894 52.037 0.004 0.000 0.756 286 A CB -0.176 18.825 19.000 0.003 0.000 0.813 286 A HN 0.389 nan 8.150 nan 0.000 0.471 287 G N -1.555 107.244 108.800 -0.001 0.000 2.141 287 G HA2 -0.192 3.768 3.960 0.000 0.000 0.242 287 G HA3 -0.192 3.768 3.960 0.000 0.000 0.242 287 G C 0.138 175.034 174.900 -0.007 0.000 0.982 287 G CA 0.116 45.213 45.100 -0.004 0.000 0.662 287 G HN 0.760 nan 8.290 nan 0.000 0.527 288 V N 2.034 121.943 119.914 -0.007 0.000 2.427 288 V HA 0.351 4.471 4.120 0.000 0.000 0.268 288 V C 0.621 176.713 176.094 -0.003 0.000 1.046 288 V CA -0.488 61.807 62.300 -0.009 0.000 0.970 288 V CB 1.331 33.149 31.823 -0.008 0.000 1.001 288 V HN 0.193 nan 8.190 nan 0.000 0.476 289 K N 3.991 124.390 120.400 -0.003 0.000 2.249 289 K HA 0.552 4.872 4.320 0.000 0.000 0.280 289 K C -0.416 176.193 176.600 0.014 0.000 1.033 289 K CA -0.136 56.154 56.287 0.004 0.000 0.946 289 K CB 1.708 34.210 32.500 0.003 0.000 1.005 289 K HN 0.426 nan 8.250 nan 0.000 0.469 290 V N 2.042 121.966 119.914 0.018 0.000 3.046 290 V HA 0.226 4.346 4.120 0.000 0.000 0.316 290 V C -0.128 175.990 176.094 0.040 0.000 1.104 290 V CA -0.923 61.395 62.300 0.030 0.000 1.006 290 V CB 2.311 34.141 31.823 0.011 0.000 1.058 290 V HN 0.864 nan 8.190 nan 0.000 0.440 291 D N 0.591 121.034 120.400 0.071 0.000 2.539 291 D HA 0.287 4.927 4.640 0.000 0.000 0.276 291 D C 0.703 177.043 176.300 0.068 0.000 1.206 291 D CA -0.489 53.556 54.000 0.074 0.000 1.081 291 D CB 0.610 41.471 40.800 0.102 0.000 1.142 291 D HN 0.387 nan 8.370 nan 0.000 0.595 292 E N -0.779 119.461 120.200 0.066 0.000 2.160 292 E HA -0.139 4.212 4.350 0.000 0.000 0.195 292 E C 1.855 178.492 176.600 0.061 0.000 0.991 292 E CA 1.376 57.808 56.400 0.053 0.000 0.810 292 E CB -0.239 29.489 29.700 0.046 0.000 0.742 292 E HN 0.383 nan 8.360 nan 0.000 0.466 293 R N -1.252 119.321 120.500 0.121 0.000 2.276 293 R HA 0.216 4.556 4.340 0.000 0.000 0.196 293 R C 1.088 177.351 176.300 -0.062 0.000 0.961 293 R CA 0.653 56.828 56.100 0.124 0.000 1.024 293 R CB 0.446 30.982 30.300 0.392 0.000 0.940 293 R HN 0.292 nan 8.270 nan 0.000 0.480 294 G N -0.200 108.571 108.800 -0.048 0.000 2.179 294 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 294 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 294 G C -0.089 174.665 174.900 -0.243 0.000 0.990 294 G CA -0.686 44.314 45.100 -0.168 0.000 0.646 294 G HN 0.148 nan 8.290 nan 0.000 0.517 295 F N 1.205 121.152 119.950 -0.006 0.000 2.412 295 F HA 0.552 5.079 4.527 0.000 0.000 0.348 295 F C 1.412 177.204 175.800 -0.013 0.000 1.102 295 F CA -0.689 57.304 58.000 -0.012 0.000 1.196 295 F CB 0.725 39.714 39.000 -0.019 0.000 1.144 295 F HN -0.032 nan 8.300 nan 0.000 0.541 296 I N 4.447 125.102 120.570 0.142 0.000 2.505 296 I HA 0.074 4.244 4.170 0.000 0.000 0.287 296 I C 0.404 176.568 176.117 0.077 0.000 1.104 296 I CA -0.073 61.274 61.300 0.078 0.000 1.387 296 I CB 0.161 38.189 38.000 0.047 0.000 1.404 296 I HN 0.463 nan 8.210 nan 0.000 0.528 297 R N 5.875 126.407 120.500 0.052 0.000 2.421 297 R HA 0.309 4.649 4.340 0.000 0.000 0.305 297 R C -0.391 175.917 176.300 0.013 0.000 1.039 297 R CA -0.091 56.028 56.100 0.031 0.000 1.003 297 R CB 0.502 30.814 30.300 0.021 0.000 0.959 297 R HN 0.592 nan 8.270 nan 0.000 0.427 298 V N -0.222 119.697 119.914 0.007 0.000 3.160 298 V HA 0.564 4.684 4.120 0.000 0.000 0.310 298 V C -0.737 175.358 176.094 0.001 0.000 1.181 298 V CA -1.359 60.943 62.300 0.004 0.000 1.047 298 V CB 2.212 34.047 31.823 0.020 0.000 1.068 298 V HN 0.825 nan 8.190 nan 0.000 0.441 299 N N 1.118 119.825 118.700 0.012 0.000 2.671 299 N HA 0.649 5.389 4.740 0.000 0.000 0.303 299 N C 0.934 176.470 175.510 0.043 0.000 1.277 299 N CA -0.245 52.816 53.050 0.019 0.000 0.933 299 N CB 0.963 39.460 38.487 0.017 0.000 1.190 299 N HN 1.044 nan 8.380 nan 0.000 0.600 300 A N -0.478 122.375 122.820 0.055 0.000 2.076 300 A HA -0.121 4.199 4.320 0.000 0.000 0.220 300 A C 1.780 179.449 177.584 0.142 0.000 1.160 300 A CA 1.076 53.172 52.037 0.097 0.000 0.653 300 A CB -0.674 18.376 19.000 0.084 0.000 0.801 300 A HN 0.655 nan 8.150 nan 0.000 0.455 301 R N -1.674 118.900 120.500 0.123 0.000 2.310 301 R HA 0.147 4.487 4.340 0.000 0.000 0.202 301 R C 0.121 176.558 176.300 0.229 0.000 0.933 301 R CA 0.286 56.486 56.100 0.166 0.000 1.054 301 R CB 0.073 30.462 30.300 0.148 0.000 0.985 301 R HN 0.365 nan 8.270 nan 0.000 0.489 302 M N -0.807 118.899 119.600 0.178 0.000 2.908 302 M HA -0.209 4.271 4.480 0.000 0.000 0.191 302 M C -0.773 175.643 176.300 0.194 0.000 0.619 302 M CA 1.062 56.477 55.300 0.191 0.000 0.709 302 M CB -2.424 30.317 32.600 0.236 0.000 2.554 302 M HN 0.187 nan 8.290 nan 0.000 0.356 303 E N 1.227 121.472 120.200 0.074 0.000 2.338 303 E HA 0.368 4.718 4.350 0.000 0.000 0.272 303 E C 1.108 177.636 176.600 -0.121 0.000 1.029 303 E CA 0.413 56.704 56.400 -0.181 0.000 0.872 303 E CB 0.905 30.484 29.700 -0.201 0.000 1.015 303 E HN 0.444 nan 8.360 nan 0.000 0.417 304 T N -1.168 113.285 114.554 -0.167 0.000 2.852 304 T HA 0.081 4.431 4.350 0.000 0.000 0.281 304 T C 1.292 175.940 174.700 -0.087 0.000 0.993 304 T CA -0.264 61.784 62.100 -0.086 0.000 0.933 304 T CB 0.997 69.825 68.868 -0.066 0.000 1.187 304 T HN 0.405 nan 8.240 nan 0.000 0.559 305 S N -1.130 114.538 115.700 -0.053 0.000 2.595 305 S HA 0.108 4.578 4.470 0.000 0.000 0.235 305 S C 0.490 175.060 174.600 -0.051 0.000 0.974 305 S CA -0.361 57.813 58.200 -0.043 0.000 0.942 305 S CB -0.573 62.613 63.200 -0.024 0.000 0.766 305 S HN 0.560 nan 8.310 nan 0.000 0.536 306 V N 3.329 123.201 119.914 -0.070 0.000 2.384 306 V HA 0.413 4.533 4.120 0.000 0.000 0.287 306 V C -2.599 173.430 176.094 -0.107 0.000 1.020 306 V CA -2.356 59.904 62.300 -0.067 0.000 0.850 306 V CB 1.350 33.144 31.823 -0.048 0.000 0.987 306 V HN 0.086 nan 8.190 nan 0.000 0.436 307 P HA 0.196 nan 4.420 nan 0.000 0.262 307 P C 1.021 178.259 177.300 -0.103 0.000 1.182 307 P CA 1.430 64.469 63.100 -0.101 0.000 0.761 307 P CB 0.570 32.240 31.700 -0.050 0.000 0.795 308 G N 1.409 110.109 108.800 -0.167 0.000 2.225 308 G HA2 -0.210 3.750 3.960 0.000 0.000 0.254 308 G HA3 -0.210 3.750 3.960 0.000 0.000 0.254 308 G C -0.014 174.840 174.900 -0.078 0.000 0.988 308 G CA -0.056 45.011 45.100 -0.055 0.000 0.625 308 G HN 0.534 nan 8.290 nan 0.000 0.527 309 V N 1.433 121.212 119.914 -0.226 0.000 2.370 309 V HA 0.705 4.825 4.120 0.000 0.000 0.283 309 V C -0.202 175.732 176.094 -0.266 0.000 1.023 309 V CA -0.923 61.309 62.300 -0.115 0.000 0.857 309 V CB 0.915 32.702 31.823 -0.060 0.000 0.985 309 V HN 0.254 nan 8.190 nan 0.000 0.443 310 Y N 2.258 122.564 120.300 0.009 0.000 2.549 310 Y HA 0.839 5.389 4.550 0.000 0.000 0.339 310 Y C 0.335 176.238 175.900 0.005 0.000 1.053 310 Y CA -0.949 57.158 58.100 0.012 0.000 1.105 310 Y CB 2.049 40.520 38.460 0.018 0.000 1.258 310 Y HN 0.694 nan 8.280 nan 0.000 0.478 311 A N 2.694 125.613 122.820 0.165 0.000 2.422 311 A HA 0.886 5.206 4.320 0.000 0.000 0.302 311 A C -1.083 176.550 177.584 0.082 0.000 1.041 311 A CA -0.627 51.465 52.037 0.092 0.000 0.708 311 A CB 0.867 19.901 19.000 0.058 0.000 1.257 311 A HN 0.769 nan 8.150 nan 0.000 0.414 312 I N -1.048 119.553 120.570 0.051 0.000 3.174 312 I HA 0.927 5.097 4.170 0.000 0.000 0.313 312 I C 0.575 176.695 176.117 0.004 0.000 1.155 312 I CA -0.354 60.962 61.300 0.026 0.000 0.977 312 I CB 1.849 39.862 38.000 0.022 0.000 1.248 312 I HN 1.773 nan 8.210 nan 0.000 0.453 313 G N 2.614 111.400 108.800 -0.024 0.000 2.575 313 G HA2 -0.284 3.676 3.960 0.000 0.000 0.267 313 G HA3 -0.284 3.676 3.960 0.000 0.000 0.267 313 G C 0.115 175.022 174.900 0.012 0.000 1.264 313 G CA 0.838 45.919 45.100 -0.031 0.000 0.935 313 G HN 0.883 nan 8.290 nan 0.000 0.568 314 D N 0.329 120.748 120.400 0.031 0.000 2.190 314 D HA 0.082 4.722 4.640 0.000 0.000 0.200 314 D C 2.694 179.113 176.300 0.199 0.000 0.992 314 D CA 2.443 56.509 54.000 0.111 0.000 0.854 314 D CB -0.546 40.298 40.800 0.074 0.000 0.936 314 D HN 0.909 nan 8.370 nan 0.000 0.462 315 A N 0.018 122.898 122.820 0.101 0.000 2.066 315 A HA 0.206 4.526 4.320 0.000 0.000 0.218 315 A C 2.123 179.810 177.584 0.172 0.000 1.157 315 A CA 1.547 53.626 52.037 0.070 0.000 0.670 315 A CB -0.227 18.779 19.000 0.010 0.000 0.804 315 A HN 0.233 nan 8.150 nan 0.000 0.453 316 A N -0.075 122.850 122.820 0.175 0.000 1.862 316 A HA 0.389 4.709 4.320 0.000 0.000 0.211 316 A C 1.121 178.801 177.584 0.161 0.000 1.220 316 A CA 1.074 53.197 52.037 0.144 0.000 0.616 316 A CB 0.055 19.083 19.000 0.047 0.000 0.878 316 A HN 0.708 nan 8.150 nan 0.000 0.453 317 R N -2.496 118.025 120.500 0.035 0.000 2.753 317 R HA 0.411 4.752 4.340 0.000 0.000 0.272 317 R C -3.683 172.432 176.300 -0.308 0.000 1.034 317 R CA -1.449 54.495 56.100 -0.261 0.000 0.869 317 R CB 0.326 30.500 30.300 -0.210 0.000 1.264 317 R HN -0.052 nan 8.270 nan 0.000 0.481 318 P HA 0.274 nan 4.420 nan 0.000 0.276 318 P C -2.396 174.780 177.300 -0.205 0.000 1.261 318 P CA -1.215 61.713 63.100 -0.286 0.000 0.800 318 P CB 0.206 31.715 31.700 -0.319 0.000 1.066 319 P HA 0.110 nan 4.420 nan 0.000 0.271 319 P C -0.559 176.686 177.300 -0.091 0.000 1.218 319 P CA 0.174 63.220 63.100 -0.091 0.000 0.780 319 P CB 0.511 32.189 31.700 -0.036 0.000 0.901 320 L N 3.238 124.431 121.223 -0.050 0.000 2.423 320 L HA 0.274 4.614 4.340 0.000 0.000 0.249 320 L C 0.334 177.178 176.870 -0.044 0.000 1.276 320 L CA -0.052 54.774 54.840 -0.024 0.000 1.199 320 L CB -0.930 41.150 42.059 0.036 0.000 1.407 320 L HN 0.204 nan 8.230 nan 0.000 0.410 321 L N 0.062 121.215 121.223 -0.117 0.000 2.333 321 L HA 0.571 4.911 4.340 0.000 0.000 0.269 321 L C 1.221 177.941 176.870 -0.250 0.000 1.010 321 L CA -0.450 54.269 54.840 -0.201 0.000 0.818 321 L CB 1.918 43.739 42.059 -0.396 0.000 1.306 321 L HN 0.365 nan 8.230 nan 0.000 0.430 322 A N 0.887 123.598 122.820 -0.182 0.000 1.855 322 A HA -0.174 4.146 4.320 0.000 0.000 0.215 322 A C 2.060 179.548 177.584 -0.160 0.000 1.191 322 A CA 1.596 53.563 52.037 -0.117 0.000 0.613 322 A CB -0.846 18.154 19.000 -0.000 0.000 0.829 322 A HN 0.952 nan 8.150 nan 0.000 0.442 323 H N -0.099 118.950 119.070 -0.036 0.000 2.387 323 H HA -0.142 4.414 4.556 0.000 0.000 0.299 323 H C 1.856 177.164 175.328 -0.033 0.000 1.099 323 H CA 1.581 57.594 56.048 -0.058 0.000 1.315 323 H CB -0.604 29.152 29.762 -0.011 0.000 1.380 323 H HN 0.619 nan 8.280 nan 0.000 0.513 324 K N 1.708 121.958 120.400 -0.251 0.000 2.057 324 K HA -0.044 4.276 4.320 0.000 0.000 0.206 324 K C 2.504 179.091 176.600 -0.021 0.000 1.050 324 K CA 1.163 57.435 56.287 -0.025 0.000 0.935 324 K CB -0.190 32.232 32.500 -0.130 0.000 0.715 324 K HN 0.234 nan 8.250 nan 0.000 0.439 325 A N 1.343 124.088 122.820 -0.125 0.000 1.933 325 A HA -0.156 4.164 4.320 0.000 0.000 0.218 325 A C 2.155 179.640 177.584 -0.166 0.000 1.175 325 A CA 1.760 53.725 52.037 -0.121 0.000 0.628 325 A CB -0.481 18.437 19.000 -0.137 0.000 0.814 325 A HN 0.390 nan 8.150 nan 0.000 0.444 326 M N -1.525 117.900 119.600 -0.292 0.000 2.067 326 M HA -0.154 4.326 4.480 0.000 0.000 0.260 326 M C 2.357 178.506 176.300 -0.251 0.000 1.069 326 M CA 2.030 56.987 55.300 -0.573 0.000 1.117 326 M CB -0.251 31.816 32.600 -0.889 0.000 1.334 326 M HN 0.373 nan 8.290 nan 0.000 0.407 327 R N 0.946 121.389 120.500 -0.096 0.000 2.081 327 R HA -0.124 4.216 4.340 0.000 0.000 0.235 327 R C 1.677 178.039 176.300 0.103 0.000 1.131 327 R CA 1.835 57.923 56.100 -0.021 0.000 0.960 327 R CB -0.525 29.741 30.300 -0.058 0.000 0.856 327 R HN 0.448 nan 8.270 nan 0.000 0.436 328 E N -1.142 119.182 120.200 0.207 0.000 2.153 328 E HA -0.110 4.240 4.350 0.000 0.000 0.194 328 E C 1.848 178.503 176.600 0.090 0.000 0.988 328 E CA 1.109 57.639 56.400 0.217 0.000 0.811 328 E CB -0.262 29.508 29.700 0.116 0.000 0.746 328 E HN 0.612 nan 8.360 nan 0.000 0.466 329 G N 1.451 110.268 108.800 0.027 0.000 2.418 329 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 329 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 329 G C 1.593 176.505 174.900 0.019 0.000 1.158 329 G CA 0.431 45.538 45.100 0.011 0.000 0.771 329 G HN 0.083 nan 8.290 nan 0.000 0.545 330 L N 0.416 121.663 121.223 0.040 0.000 2.046 330 L HA -0.074 4.266 4.340 0.000 0.000 0.208 330 L C 2.844 179.721 176.870 0.011 0.000 1.077 330 L CA 0.487 55.343 54.840 0.026 0.000 0.747 330 L CB -0.448 41.625 42.059 0.023 0.000 0.896 330 L HN 0.122 nan 8.230 nan 0.000 0.432 331 I N 0.477 121.075 120.570 0.046 0.000 2.142 331 I HA -0.266 3.904 4.170 0.000 0.000 0.240 331 I C 2.878 178.993 176.117 -0.003 0.000 1.078 331 I CA 1.743 63.084 61.300 0.068 0.000 1.343 331 I CB -1.423 36.679 38.000 0.171 0.000 1.046 331 I HN 0.195 nan 8.210 nan 0.000 0.405 332 A N 0.846 123.641 122.820 -0.043 0.000 1.902 332 A HA -0.104 4.216 4.320 0.000 0.000 0.217 332 A C 2.575 179.927 177.584 -0.387 0.000 1.181 332 A CA 1.995 53.878 52.037 -0.257 0.000 0.623 332 A CB -0.754 18.142 19.000 -0.172 0.000 0.818 332 A HN 0.432 nan 8.150 nan 0.000 0.443 333 A N -0.152 122.551 122.820 -0.194 0.000 1.877 333 A HA -0.172 4.148 4.320 0.000 0.000 0.216 333 A C 1.908 179.414 177.584 -0.130 0.000 1.186 333 A CA 1.682 53.626 52.037 -0.155 0.000 0.620 333 A CB -0.553 18.403 19.000 -0.074 0.000 0.822 333 A HN 0.624 nan 8.150 nan 0.000 0.443 334 E N -0.013 120.137 120.200 -0.084 0.000 2.110 334 E HA -0.165 4.185 4.350 0.000 0.000 0.193 334 E C 1.623 178.194 176.600 -0.048 0.000 0.988 334 E CA 1.148 57.521 56.400 -0.045 0.000 0.804 334 E CB -0.159 29.534 29.700 -0.012 0.000 0.745 334 E HN 0.537 nan 8.360 nan 0.000 0.458 335 N N 0.406 119.056 118.700 -0.083 0.000 2.331 335 N HA -0.066 4.674 4.740 0.000 0.000 0.180 335 N C 1.527 177.013 175.510 -0.040 0.000 1.019 335 N CA 1.029 54.065 53.050 -0.023 0.000 0.881 335 N CB -0.082 38.450 38.487 0.074 0.000 0.972 335 N HN 0.115 nan 8.380 nan 0.000 0.435 336 A N 0.663 123.356 122.820 -0.213 0.000 1.968 336 A HA 0.193 4.513 4.320 0.000 0.000 0.217 336 A C 2.027 179.598 177.584 -0.023 0.000 1.169 336 A CA 1.274 53.239 52.037 -0.120 0.000 0.638 336 A CB -0.340 18.527 19.000 -0.223 0.000 0.812 336 A HN 0.248 nan 8.150 nan 0.000 0.446 337 A N -1.660 121.138 122.820 -0.036 0.000 2.259 337 A HA 0.421 4.741 4.320 0.000 0.000 0.208 337 A C 1.705 179.295 177.584 0.011 0.000 1.201 337 A CA 1.152 53.185 52.037 -0.007 0.000 0.824 337 A CB -0.951 18.041 19.000 -0.014 0.000 0.838 337 A HN 1.775 nan 8.150 nan 0.000 0.485 338 G N -0.766 108.048 108.800 0.023 0.000 2.195 338 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 338 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 338 G C 0.508 175.428 174.900 0.032 0.000 0.984 338 G CA 0.509 45.629 45.100 0.035 0.000 0.633 338 G HN 0.563 nan 8.290 nan 0.000 0.525 339 K N 0.011 120.426 120.400 0.024 0.000 2.332 339 K HA 0.438 4.758 4.320 0.000 0.000 0.246 339 K C -0.442 176.182 176.600 0.039 0.000 1.066 339 K CA 0.266 56.569 56.287 0.026 0.000 0.898 339 K CB 0.231 32.742 32.500 0.018 0.000 1.192 339 K HN 0.097 nan 8.250 nan 0.000 0.509 340 D N 0.252 120.675 120.400 0.038 0.000 2.443 340 D HA 0.174 4.814 4.640 0.000 0.000 0.281 340 D C -1.417 174.912 176.300 0.049 0.000 1.210 340 D CA -0.135 53.893 54.000 0.047 0.000 0.875 340 D CB 0.444 41.267 40.800 0.038 0.000 1.125 340 D HN 0.264 nan 8.370 nan 0.000 0.503 341 S N 0.648 116.385 115.700 0.061 0.000 2.593 341 S HA 0.957 5.428 4.470 0.000 0.000 0.297 341 S C -0.522 174.133 174.600 0.092 0.000 1.112 341 S CA -0.730 57.513 58.200 0.072 0.000 1.043 341 S CB 1.808 65.052 63.200 0.074 0.000 1.054 341 S HN 0.519 nan 8.310 nan 0.000 0.516 342 A N 1.278 124.153 122.820 0.091 0.000 2.520 342 A HA 0.689 5.009 4.320 0.000 0.000 0.298 342 A C -1.455 176.194 177.584 0.109 0.000 1.051 342 A CA -0.647 51.450 52.037 0.101 0.000 0.690 342 A CB 0.755 19.783 19.000 0.046 0.000 1.281 342 A HN 0.673 nan 8.150 nan 0.000 0.402 343 F N 2.244 122.226 119.950 0.053 0.000 2.434 343 F HA 0.485 5.012 4.527 0.000 0.000 0.358 343 F C 0.118 175.847 175.800 -0.118 0.000 1.136 343 F CA -0.058 57.991 58.000 0.082 0.000 1.157 343 F CB 0.615 39.689 39.000 0.124 0.000 1.167 343 F HN 0.542 nan 8.300 nan 0.000 0.539 344 D N 5.251 125.325 120.400 -0.543 0.000 2.849 344 D HA 0.186 4.826 4.640 0.000 0.000 0.314 344 D C -1.381 174.459 176.300 -0.765 0.000 1.210 344 D CA -0.034 53.713 54.000 -0.421 0.000 0.756 344 D CB -0.222 40.364 40.800 -0.357 0.000 1.222 344 D HN 0.326 nan 8.370 nan 0.000 0.521 348 V N 4.487 124.524 119.914 0.205 0.000 2.328 348 V HA 0.424 4.544 4.120 0.000 0.000 0.278 348 V C -1.698 174.513 176.094 0.196 0.000 1.021 348 V CA -1.139 61.310 62.300 0.247 0.000 0.838 348 V CB 1.167 33.162 31.823 0.286 0.000 0.999 348 V HN 0.521 nan 8.190 nan 0.000 0.447 349 P HA 0.379 nan 4.420 nan 0.000 0.274 349 P C -0.635 176.802 177.300 0.229 0.000 1.256 349 P CA -0.273 62.874 63.100 0.078 0.000 0.795 349 P CB 1.281 32.939 31.700 -0.070 0.000 1.038 350 S N -0.759 115.056 115.700 0.192 0.000 2.547 350 S HA 0.634 5.104 4.470 0.000 0.000 0.281 350 S C -0.789 173.979 174.600 0.279 0.000 1.118 350 S CA -0.689 57.696 58.200 0.308 0.000 0.947 350 S CB 1.151 64.573 63.200 0.370 0.000 1.053 350 S HN 0.230 nan 8.310 nan 0.000 0.482 351 V N 2.015 122.069 119.914 0.234 0.000 2.789 351 V HA 0.657 4.777 4.120 0.000 0.000 0.311 351 V C -0.819 175.332 176.094 0.096 0.000 1.073 351 V CA -0.739 61.603 62.300 0.071 0.000 0.921 351 V CB 2.107 33.768 31.823 -0.271 0.000 1.009 351 V HN 0.869 nan 8.190 nan 0.000 0.426 352 V N 3.861 123.826 119.914 0.085 0.000 2.409 352 V HA 0.343 4.463 4.120 0.000 0.000 0.291 352 V C -0.600 175.487 176.094 -0.011 0.000 1.020 352 V CA -0.441 61.938 62.300 0.132 0.000 0.848 352 V CB 1.450 33.385 31.823 0.187 0.000 0.990 352 V HN 0.859 nan 8.190 nan 0.000 0.430 353 Y N 2.228 122.606 120.300 0.130 0.000 2.596 353 Y HA 0.125 4.675 4.550 0.000 0.000 0.316 353 Y C 1.758 177.715 175.900 0.096 0.000 1.156 353 Y CA -0.469 57.696 58.100 0.108 0.000 1.300 353 Y CB -0.616 37.900 38.460 0.094 0.000 1.130 353 Y HN 0.741 nan 8.280 nan 0.000 0.518 354 T N -2.711 111.950 114.554 0.180 0.000 2.698 354 T HA 0.324 4.674 4.350 0.000 0.000 0.295 354 T C 0.350 175.110 174.700 0.101 0.000 1.007 354 T CA -0.777 61.399 62.100 0.126 0.000 0.980 354 T CB 1.084 70.010 68.868 0.096 0.000 1.036 354 T HN 0.079 nan 8.240 nan 0.000 0.526 355 S N 2.886 118.622 115.700 0.060 0.000 2.640 355 S HA 0.457 4.927 4.470 0.000 0.000 0.320 355 S C -2.366 172.249 174.600 0.024 0.000 1.097 355 S CA -1.006 57.220 58.200 0.044 0.000 1.092 355 S CB 1.224 64.439 63.200 0.023 0.000 0.988 355 S HN 0.679 nan 8.310 nan 0.000 0.470 356 P HA 0.202 nan 4.420 nan 0.000 0.272 356 P C -0.476 176.874 177.300 0.084 0.000 1.240 356 P CA -0.364 62.776 63.100 0.067 0.000 0.791 356 P CB 0.822 32.566 31.700 0.072 0.000 0.978 357 E N -0.115 120.125 120.200 0.067 0.000 2.318 357 E HA 0.274 4.624 4.350 0.000 0.000 0.265 357 E C -1.063 175.604 176.600 0.112 0.000 1.069 357 E CA -0.269 56.165 56.400 0.056 0.000 0.893 357 E CB 0.783 30.464 29.700 -0.033 0.000 1.076 357 E HN 0.455 nan 8.360 nan 0.000 0.414 358 W N 0.959 122.222 121.300 -0.060 0.000 2.785 358 W HA 0.597 5.257 4.660 0.000 0.000 0.333 358 W C -1.568 174.920 176.519 -0.052 0.000 1.062 358 W CA -0.350 56.983 57.345 -0.021 0.000 1.233 358 W CB 1.416 30.883 29.460 0.013 0.000 1.413 358 W HN 0.502 nan 8.180 nan 0.000 0.489 359 A N 3.416 125.738 122.820 -0.830 0.000 2.549 359 A HA 0.906 5.226 4.320 0.000 0.000 0.297 359 A C -0.912 175.924 177.584 -1.247 0.000 1.061 359 A CA -0.353 51.237 52.037 -0.744 0.000 0.690 359 A CB 1.378 20.140 19.000 -0.397 0.000 1.287 359 A HN 1.258 nan 8.150 nan 0.000 0.402 360 G N -0.872 107.449 108.800 -0.798 0.000 2.720 360 G HA2 0.725 4.685 3.960 0.000 0.000 0.295 360 G HA3 0.725 4.685 3.960 0.000 0.000 0.295 360 G C -1.902 172.767 174.900 -0.386 0.000 1.437 360 G CA -0.154 44.526 45.100 -0.700 0.000 0.886 360 G HN 1.880 nan 8.290 nan 0.000 0.509 361 V N 0.443 120.011 119.914 -0.576 0.000 3.000 361 V HA 0.871 4.991 4.120 0.000 0.000 0.300 361 V C 0.560 176.460 176.094 -0.324 0.000 1.251 361 V CA 1.393 63.519 62.300 -0.289 0.000 0.972 361 V CB 1.519 33.213 31.823 -0.214 0.000 1.065 361 V HN 2.819 nan 8.190 nan 0.000 0.431 362 G N 4.471 113.206 108.800 -0.108 0.000 2.545 362 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 362 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 362 G C -0.897 174.052 174.900 0.082 0.000 1.314 362 G CA -0.232 44.839 45.100 -0.049 0.000 0.906 362 G HN 1.272 nan 8.290 nan 0.000 0.563 363 L N 1.728 123.014 121.223 0.105 0.000 2.326 363 L HA 0.517 4.857 4.340 0.000 0.000 0.278 363 L C 1.692 178.776 176.870 0.357 0.000 1.092 363 L CA -0.236 54.721 54.840 0.195 0.000 0.810 363 L CB 1.244 43.364 42.059 0.101 0.000 1.153 363 L HN 1.019 nan 8.230 nan 0.000 0.439 364 T N -1.832 112.916 114.554 0.322 0.000 2.726 364 T HA 0.079 4.429 4.350 0.000 0.000 0.294 364 T C 0.944 175.695 174.700 0.084 0.000 1.013 364 T CA -0.496 61.670 62.100 0.111 0.000 0.996 364 T CB 1.069 69.904 68.868 -0.055 0.000 1.016 364 T HN 0.654 nan 8.240 nan 0.000 0.529 365 E N 0.148 120.351 120.200 0.004 0.000 2.051 365 E HA -0.165 4.185 4.350 0.000 0.000 0.192 365 E C 2.275 178.905 176.600 0.050 0.000 0.991 365 E CA 1.193 57.617 56.400 0.040 0.000 0.799 365 E CB 0.010 29.717 29.700 0.012 0.000 0.748 365 E HN 0.616 nan 8.360 nan 0.000 0.449 366 E N 0.700 120.916 120.200 0.026 0.000 2.077 366 E HA -0.189 4.161 4.350 0.000 0.000 0.193 366 E C 1.908 178.545 176.600 0.062 0.000 0.989 366 E CA 1.023 57.445 56.400 0.037 0.000 0.800 366 E CB -0.157 29.554 29.700 0.018 0.000 0.746 366 E HN 0.388 nan 8.360 nan 0.000 0.452 367 E N 0.765 121.010 120.200 0.074 0.000 2.072 367 E HA -0.096 4.254 4.350 0.000 0.000 0.191 367 E C 2.054 178.735 176.600 0.135 0.000 0.985 367 E CA 0.964 57.422 56.400 0.097 0.000 0.801 367 E CB -0.101 29.664 29.700 0.107 0.000 0.750 367 E HN 0.202 nan 8.360 nan 0.000 0.452 368 A N 1.682 124.590 122.820 0.147 0.000 1.902 368 A HA -0.223 4.097 4.320 0.000 0.000 0.217 368 A C 1.965 179.706 177.584 0.261 0.000 1.181 368 A CA 1.507 53.675 52.037 0.219 0.000 0.623 368 A CB -0.280 18.794 19.000 0.122 0.000 0.818 368 A HN 0.030 nan 8.150 nan 0.000 0.443 369 K N -0.870 119.626 120.400 0.160 0.000 2.026 369 K HA -0.120 4.200 4.320 0.000 0.000 0.208 369 K C 2.347 179.003 176.600 0.093 0.000 1.048 369 K CA 1.399 57.760 56.287 0.123 0.000 0.929 369 K CB -0.187 32.362 32.500 0.082 0.000 0.713 369 K HN 0.391 nan 8.250 nan 0.000 0.439 370 R N 0.535 121.085 120.500 0.083 0.000 2.159 370 R HA -0.101 4.239 4.340 0.000 0.000 0.237 370 R C 1.682 178.011 176.300 0.049 0.000 1.131 370 R CA 1.284 57.418 56.100 0.057 0.000 0.982 370 R CB -0.080 30.252 30.300 0.054 0.000 0.868 370 R HN 0.175 nan 8.270 nan 0.000 0.453 371 A N -0.659 122.211 122.820 0.083 0.000 2.238 371 A HA 0.208 4.528 4.320 0.000 0.000 0.208 371 A C 1.227 178.739 177.584 -0.121 0.000 1.177 371 A CA 0.742 52.797 52.037 0.030 0.000 0.804 371 A CB 0.041 19.135 19.000 0.157 0.000 0.823 371 A HN 0.512 nan 8.150 nan 0.000 0.482 372 G N -2.274 106.488 108.800 -0.063 0.000 2.141 372 G HA2 -0.278 3.682 3.960 0.000 0.000 0.231 372 G HA3 -0.278 3.682 3.960 0.000 0.000 0.231 372 G C -0.033 174.777 174.900 -0.150 0.000 0.984 372 G CA 0.186 45.215 45.100 -0.118 0.000 0.660 372 G HN 0.442 nan 8.290 nan 0.000 0.525 373 Y N 0.367 120.690 120.300 0.039 0.000 2.304 373 Y HA 0.508 5.058 4.550 0.000 0.000 0.327 373 Y C 1.080 177.009 175.900 0.050 0.000 1.209 373 Y CA 0.423 58.551 58.100 0.047 0.000 1.299 373 Y CB 0.798 39.292 38.460 0.057 0.000 1.249 373 Y HN 0.299 nan 8.280 nan 0.000 0.519 374 K N 2.918 123.449 120.400 0.219 0.000 2.150 374 K HA 0.473 4.793 4.320 0.000 0.000 0.261 374 K C -0.648 176.049 176.600 0.161 0.000 1.127 374 K CA -0.390 55.983 56.287 0.142 0.000 0.989 374 K CB -0.828 31.737 32.500 0.109 0.000 1.475 374 K HN 0.563 nan 8.250 nan 0.000 0.391 375 V N 2.398 122.401 119.914 0.149 0.000 2.637 375 V HA 0.318 4.438 4.120 0.000 0.000 0.296 375 V C 0.429 176.585 176.094 0.104 0.000 1.046 375 V CA -0.192 62.193 62.300 0.142 0.000 1.066 375 V CB 0.997 32.895 31.823 0.125 0.000 0.968 375 V HN 0.856 nan 8.190 nan 0.000 0.483 376 K N 3.376 123.867 120.400 0.150 0.000 2.498 376 K HA 0.737 5.057 4.320 0.000 0.000 0.254 376 K C -1.333 175.398 176.600 0.218 0.000 0.933 376 K CA -0.662 55.654 56.287 0.049 0.000 0.806 376 K CB 2.383 34.750 32.500 -0.222 0.000 1.301 376 K HN 0.590 nan 8.250 nan 0.000 0.432 377 V N -0.487 119.497 119.914 0.116 0.000 2.769 377 V HA 0.926 5.046 4.120 0.000 0.000 0.312 377 V C -0.273 175.941 176.094 0.200 0.000 1.061 377 V CA -0.556 61.870 62.300 0.209 0.000 0.931 377 V CB 1.646 33.543 31.823 0.123 0.000 1.010 377 V HN 0.795 nan 8.190 nan 0.000 0.433 378 G N 2.218 111.175 108.800 0.262 0.000 2.461 378 G HA2 0.724 4.684 3.960 0.000 0.000 0.323 378 G HA3 0.724 4.684 3.960 0.000 0.000 0.323 378 G C -1.083 173.906 174.900 0.149 0.000 1.229 378 G CA -0.942 44.282 45.100 0.206 0.000 0.941 378 G HN 0.835 nan 8.290 nan 0.000 0.477 379 K N 0.711 121.193 120.400 0.137 0.000 2.468 379 K HA 0.489 4.809 4.320 0.000 0.000 0.252 379 K C -2.025 174.689 176.600 0.191 0.000 0.932 379 K CA -0.698 55.669 56.287 0.134 0.000 0.794 379 K CB 2.927 35.476 32.500 0.082 0.000 1.241 379 K HN 0.386 nan 8.250 nan 0.000 0.428 380 F N 4.717 124.683 119.950 0.027 0.000 2.536 380 F HA 0.379 4.906 4.527 0.000 0.000 0.322 380 F C -2.517 173.296 175.800 0.022 0.000 1.144 380 F CA -2.055 55.961 58.000 0.025 0.000 0.924 380 F CB 1.707 40.718 39.000 0.017 0.000 1.181 380 F HN 0.301 nan 8.300 nan 0.000 0.438 381 P HA 0.201 nan 4.420 nan 0.000 0.284 381 P C 0.485 177.620 177.300 -0.274 0.000 1.253 381 P CA -0.295 62.649 63.100 -0.260 0.000 0.800 381 P CB 1.908 33.460 31.700 -0.247 0.000 0.961 382 L N 2.220 123.411 121.223 -0.053 0.000 2.362 382 L HA -0.105 4.235 4.340 0.000 0.000 0.219 382 L C 2.407 179.268 176.870 -0.016 0.000 1.134 382 L CA 1.281 56.137 54.840 0.026 0.000 0.807 382 L CB -0.890 41.202 42.059 0.055 0.000 0.927 382 L HN 0.415 nan 8.230 nan 0.000 0.447 383 A N 0.294 123.075 122.820 -0.064 0.000 2.125 383 A HA -0.035 4.285 4.320 0.000 0.000 0.219 383 A C 2.155 179.701 177.584 -0.064 0.000 1.156 383 A CA 1.530 53.538 52.037 -0.049 0.000 0.671 383 A CB -0.304 18.663 19.000 -0.054 0.000 0.794 383 A HN 0.389 nan 8.150 nan 0.000 0.459 384 A N -0.950 121.784 122.820 -0.143 0.000 2.387 384 A HA 0.442 4.762 4.320 0.000 0.000 0.234 384 A C 1.007 178.635 177.584 0.072 0.000 1.253 384 A CA 0.550 52.524 52.037 -0.105 0.000 0.894 384 A CB -0.246 18.564 19.000 -0.318 0.000 0.963 384 A HN 0.361 nan 8.150 nan 0.000 0.508 385 S N -0.177 115.588 115.700 0.109 0.000 2.430 385 S HA 0.442 4.912 4.470 0.000 0.000 0.289 385 S C 1.485 176.107 174.600 0.037 0.000 1.143 385 S CA 0.045 58.335 58.200 0.150 0.000 1.067 385 S CB 0.894 64.201 63.200 0.179 0.000 0.964 385 S HN 0.485 nan 8.310 nan 0.000 0.485 386 G N 4.819 113.610 108.800 -0.015 0.000 2.440 386 G HA2 -0.234 3.727 3.960 0.000 0.000 0.218 386 G HA3 -0.234 3.727 3.960 0.000 0.000 0.218 386 G C 1.497 176.368 174.900 -0.048 0.000 1.154 386 G CA 0.806 45.888 45.100 -0.029 0.000 0.767 386 G HN 0.660 nan 8.290 nan 0.000 0.552 387 R N 1.264 121.717 120.500 -0.079 0.000 2.081 387 R HA 0.112 4.452 4.340 0.000 0.000 0.235 387 R C 2.773 179.062 176.300 -0.018 0.000 1.131 387 R CA 1.826 57.883 56.100 -0.073 0.000 0.960 387 R CB -1.049 29.198 30.300 -0.087 0.000 0.856 387 R HN 0.235 nan 8.270 nan 0.000 0.436 388 A N 0.500 123.326 122.820 0.009 0.000 1.917 388 A HA -0.167 4.153 4.320 0.000 0.000 0.219 388 A C 2.091 179.699 177.584 0.041 0.000 1.182 388 A CA 1.695 53.752 52.037 0.034 0.000 0.633 388 A CB -0.766 18.263 19.000 0.049 0.000 0.819 388 A HN 0.367 nan 8.150 nan 0.000 0.448 389 L N 0.399 121.640 121.223 0.031 0.000 2.141 389 L HA -0.087 4.253 4.340 0.000 0.000 0.209 389 L C 2.665 179.559 176.870 0.039 0.000 1.094 389 L CA 2.556 57.419 54.840 0.039 0.000 0.763 389 L CB -0.728 41.349 42.059 0.029 0.000 0.908 389 L HN 0.591 nan 8.230 nan 0.000 0.437 390 T N -3.738 110.824 114.554 0.013 0.000 3.113 390 T HA -0.071 4.279 4.350 0.000 0.000 0.263 390 T C 1.496 176.205 174.700 0.014 0.000 1.143 390 T CA 0.748 62.846 62.100 -0.003 0.000 1.090 390 T CB -0.446 68.401 68.868 -0.035 0.000 0.922 390 T HN 0.332 nan 8.240 nan 0.000 0.521 391 L N 0.518 121.772 121.223 0.052 0.000 2.653 391 L HA 0.450 4.790 4.340 0.000 0.000 0.231 391 L C 1.846 178.844 176.870 0.213 0.000 1.153 391 L CA 0.228 55.127 54.840 0.099 0.000 0.933 391 L CB -0.162 41.935 42.059 0.063 0.000 1.175 391 L HN 0.555 nan 8.230 nan 0.000 0.473 392 G N -0.257 108.662 108.800 0.197 0.000 2.175 392 G HA2 -0.112 3.848 3.960 0.000 0.000 0.244 392 G HA3 -0.112 3.848 3.960 0.000 0.000 0.244 392 G C 0.405 175.401 174.900 0.159 0.000 0.982 392 G CA -0.275 44.969 45.100 0.240 0.000 0.641 392 G HN 0.735 nan 8.290 nan 0.000 0.527 393 G N -1.556 107.318 108.800 0.124 0.000 2.308 393 G HA2 0.655 4.615 3.960 0.000 0.000 0.288 393 G HA3 0.655 4.615 3.960 0.000 0.000 0.288 393 G C -0.647 174.301 174.900 0.080 0.000 1.722 393 G CA 0.786 45.942 45.100 0.093 0.000 0.924 393 G HN 1.955 nan 8.290 nan 0.000 0.732 394 A N 1.944 124.798 122.820 0.057 0.000 2.508 394 A HA 0.803 5.123 4.320 0.000 0.000 0.336 394 A C -0.253 177.352 177.584 0.036 0.000 1.360 394 A CA -0.468 51.597 52.037 0.047 0.000 0.841 394 A CB 0.821 19.842 19.000 0.035 0.000 1.136 394 A HN 0.416 nan 8.150 nan 0.000 0.489 395 E N 0.872 121.099 120.200 0.045 0.000 2.234 395 E HA 0.714 5.064 4.350 0.000 0.000 0.266 395 E C 0.149 176.775 176.600 0.044 0.000 0.877 395 E CA 0.315 56.739 56.400 0.039 0.000 0.758 395 E CB 2.175 31.902 29.700 0.046 0.000 1.170 395 E HN 1.311 nan 8.360 nan 0.000 0.415 396 G N 1.305 110.128 108.800 0.037 0.000 2.315 396 G HA2 0.263 4.223 3.960 0.000 0.000 0.296 396 G HA3 0.263 4.223 3.960 0.000 0.000 0.296 396 G C -1.042 173.882 174.900 0.041 0.000 1.289 396 G CA -0.233 44.895 45.100 0.047 0.000 0.996 396 G HN 0.596 nan 8.290 nan 0.000 0.487 397 M N -2.505 117.126 119.600 0.051 0.000 2.853 397 M HA 0.719 5.199 4.480 0.000 0.000 0.273 397 M C -1.847 174.493 176.300 0.067 0.000 1.128 397 M CA -1.103 54.236 55.300 0.064 0.000 0.814 397 M CB 1.678 34.307 32.600 0.049 0.000 1.667 397 M HN 1.022 nan 8.290 nan 0.000 0.519 398 V N 1.710 121.686 119.914 0.103 0.000 2.495 398 V HA 0.659 4.779 4.120 0.000 0.000 0.298 398 V C -0.782 175.368 176.094 0.093 0.000 1.031 398 V CA -0.467 61.874 62.300 0.069 0.000 0.871 398 V CB 1.810 33.670 31.823 0.061 0.000 0.988 398 V HN 0.777 nan 8.190 nan 0.000 0.432 399 K N 4.231 124.685 120.400 0.090 0.000 2.376 399 K HA 0.721 5.041 4.320 0.000 0.000 0.257 399 K C -1.093 175.580 176.600 0.122 0.000 0.939 399 K CA -0.500 55.864 56.287 0.127 0.000 0.809 399 K CB 2.086 34.684 32.500 0.163 0.000 1.121 399 K HN 0.612 nan 8.250 nan 0.000 0.425 400 V N 0.947 120.916 119.914 0.092 0.000 2.547 400 V HA 0.646 4.766 4.120 0.000 0.000 0.299 400 V C -0.581 175.566 176.094 0.089 0.000 1.040 400 V CA -0.793 61.526 62.300 0.032 0.000 0.913 400 V CB 1.616 33.399 31.823 -0.067 0.000 0.992 400 V HN 0.389 nan 8.190 nan 0.000 0.449 401 V N 3.952 123.902 119.914 0.060 0.000 2.409 401 V HA 0.929 5.049 4.120 0.000 0.000 0.291 401 V C 0.709 176.791 176.094 -0.019 0.000 1.020 401 V CA 0.490 62.848 62.300 0.097 0.000 0.848 401 V CB 0.966 32.884 31.823 0.159 0.000 0.990 401 V HN 1.365 nan 8.190 nan 0.000 0.430 402 G N 2.094 110.929 108.800 0.057 0.000 2.725 402 G HA2 0.529 4.489 3.960 0.000 0.000 0.288 402 G HA3 0.529 4.489 3.960 0.000 0.000 0.288 402 G C -1.796 173.194 174.900 0.151 0.000 1.399 402 G CA -0.455 44.614 45.100 -0.052 0.000 0.859 402 G HN 0.520 nan 8.290 nan 0.000 0.479 403 D N -0.062 120.393 120.400 0.092 0.000 2.347 403 D HA 0.111 4.751 4.640 0.000 0.000 0.235 403 D C 1.460 177.934 176.300 0.290 0.000 1.149 403 D CA -0.455 53.656 54.000 0.186 0.000 0.850 403 D CB 1.401 42.299 40.800 0.164 0.000 1.061 403 D HN 0.608 nan 8.370 nan 0.000 0.487 404 E N 2.546 122.914 120.200 0.279 0.000 2.338 404 E HA -0.171 4.179 4.350 0.000 0.000 0.197 404 E C 0.706 177.417 176.600 0.184 0.000 1.007 404 E CA 0.954 57.495 56.400 0.235 0.000 0.849 404 E CB 0.126 29.863 29.700 0.062 0.000 0.774 404 E HN 0.553 nan 8.360 nan 0.000 0.506 405 E N 0.522 120.819 120.200 0.162 0.000 2.060 405 E HA -0.089 4.261 4.350 0.000 0.000 0.189 405 E C 2.065 178.741 176.600 0.126 0.000 0.974 405 E CA 1.717 58.192 56.400 0.125 0.000 0.808 405 E CB 0.156 29.920 29.700 0.108 0.000 0.768 405 E HN 0.480 nan 8.360 nan 0.000 0.453 406 T N -2.332 112.306 114.554 0.141 0.000 3.037 406 T HA 0.044 4.394 4.350 0.000 0.000 0.251 406 T C 0.638 175.405 174.700 0.112 0.000 1.079 406 T CA 0.680 62.849 62.100 0.115 0.000 1.067 406 T CB 0.306 69.243 68.868 0.114 0.000 0.948 406 T HN 0.088 nan 8.240 nan 0.000 0.496 407 D N -0.867 119.623 120.400 0.150 0.000 3.006 407 D HA -0.141 4.500 4.640 0.000 0.000 0.205 407 D C -0.345 175.947 176.300 -0.013 0.000 1.075 407 D CA 0.408 54.492 54.000 0.141 0.000 1.000 407 D CB -1.797 39.109 40.800 0.178 0.000 1.097 407 D HN 0.507 nan 8.370 nan 0.000 0.426 408 L N 0.819 122.035 121.223 -0.012 0.000 2.410 408 L HA 0.407 4.747 4.340 0.000 0.000 0.273 408 L C -0.021 176.748 176.870 -0.169 0.000 1.152 408 L CA -0.252 54.544 54.840 -0.074 0.000 0.855 408 L CB 0.613 42.650 42.059 -0.037 0.000 1.129 408 L HN 0.238 nan 8.230 nan 0.000 0.463 409 L N 5.504 126.613 121.223 -0.189 0.000 2.416 409 L HA 0.205 4.545 4.340 0.000 0.000 0.272 409 L C 0.262 177.013 176.870 -0.199 0.000 1.161 409 L CA 0.701 55.406 54.840 -0.225 0.000 0.845 409 L CB 0.547 42.488 42.059 -0.197 0.000 1.119 409 L HN 0.782 nan 8.230 nan 0.000 0.464 410 L N 3.992 125.096 121.223 -0.198 0.000 2.766 410 L HA 0.548 4.888 4.340 0.000 0.000 0.241 410 L C 0.740 177.542 176.870 -0.113 0.000 1.080 410 L CA 0.217 54.941 54.840 -0.195 0.000 0.909 410 L CB 0.320 42.208 42.059 -0.285 0.000 1.277 410 L HN 0.774 nan 8.230 nan 0.000 0.510 411 G N -0.264 108.478 108.800 -0.097 0.000 2.632 411 G HA2 0.573 4.533 3.960 0.000 0.000 0.292 411 G HA3 0.573 4.533 3.960 0.000 0.000 0.292 411 G C -2.010 172.764 174.900 -0.209 0.000 1.465 411 G CA -0.346 44.679 45.100 -0.125 0.000 0.824 411 G HN -0.285 nan 8.290 nan 0.000 0.509 412 V N 0.300 119.873 119.914 -0.569 0.000 2.808 412 V HA 0.753 4.873 4.120 0.000 0.000 0.308 412 V C -1.372 174.140 176.094 -0.971 0.000 1.099 412 V CA -0.692 61.318 62.300 -0.484 0.000 0.920 412 V CB 1.768 33.392 31.823 -0.332 0.000 1.014 412 V HN 0.678 nan 8.190 nan 0.000 0.425 413 F N 4.204 124.050 119.950 -0.174 0.000 2.569 413 F HA 0.769 5.296 4.527 0.000 0.000 0.312 413 F C -0.276 175.338 175.800 -0.311 0.000 1.109 413 F CA -0.596 57.218 58.000 -0.310 0.000 0.919 413 F CB 1.982 40.884 39.000 -0.163 0.000 1.211 413 F HN 0.203 nan 8.300 nan 0.000 0.446 414 I N 3.118 123.463 120.570 -0.374 0.000 2.619 414 I HA 0.611 4.781 4.170 0.000 0.000 0.292 414 I C -1.469 174.469 176.117 -0.300 0.000 1.100 414 I CA -1.170 59.974 61.300 -0.261 0.000 1.043 414 I CB 2.417 40.280 38.000 -0.230 0.000 1.239 414 I HN 0.353 nan 8.210 nan 0.000 0.420 415 V N 5.047 124.907 119.914 -0.089 0.000 2.525 415 V HA 1.011 5.131 4.120 0.000 0.000 0.299 415 V C -0.275 175.836 176.094 0.029 0.000 1.034 415 V CA 0.427 62.738 62.300 0.019 0.000 0.863 415 V CB 1.251 33.163 31.823 0.147 0.000 0.999 415 V HN 1.077 nan 8.190 nan 0.000 0.423 416 G N 6.492 115.311 108.800 0.032 0.000 2.359 416 G HA2 0.273 4.233 3.960 0.000 0.000 0.293 416 G HA3 0.273 4.233 3.960 0.000 0.000 0.293 416 G C -3.505 171.410 174.900 0.024 0.000 1.300 416 G CA -0.313 44.808 45.100 0.035 0.000 0.888 416 G HN 0.670 nan 8.290 nan 0.000 0.541 417 P HA 0.226 nan 4.420 nan 0.000 0.271 417 P C -0.275 177.029 177.300 0.006 0.000 1.216 417 P CA 0.633 63.748 63.100 0.025 0.000 0.776 417 P CB 1.230 32.948 31.700 0.030 0.000 0.881 418 Q N 0.296 120.099 119.800 0.005 0.000 2.452 418 Q HA -0.261 4.079 4.340 0.000 0.000 0.248 418 Q C 1.344 177.316 176.000 -0.047 0.000 0.874 418 Q CA 1.326 57.123 55.803 -0.010 0.000 1.208 418 Q CB -2.738 25.997 28.738 -0.005 0.000 1.569 418 Q HN 0.712 nan 8.270 nan 0.000 0.579 419 A N 0.051 122.830 122.820 -0.068 0.000 1.917 419 A HA -0.060 4.260 4.320 0.000 0.000 0.219 419 A C 2.193 179.683 177.584 -0.157 0.000 1.182 419 A CA 2.262 54.228 52.037 -0.118 0.000 0.633 419 A CB -0.856 18.061 19.000 -0.140 0.000 0.819 419 A HN 0.624 nan 8.150 nan 0.000 0.448 420 G N -0.699 107.996 108.800 -0.174 0.000 2.432 420 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 420 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 420 G C 1.386 176.217 174.900 -0.115 0.000 1.135 420 G CA 1.016 45.996 45.100 -0.199 0.000 0.767 420 G HN 0.537 nan 8.290 nan 0.000 0.550 421 E N 0.362 120.520 120.200 -0.071 0.000 2.112 421 E HA 0.054 4.404 4.350 0.000 0.000 0.190 421 E C 2.674 179.234 176.600 -0.067 0.000 0.979 421 E CA 0.239 56.609 56.400 -0.050 0.000 0.814 421 E CB -0.238 29.448 29.700 -0.023 0.000 0.762 421 E HN 0.454 nan 8.360 nan 0.000 0.460 422 L N 0.412 121.590 121.223 -0.076 0.000 2.217 422 L HA -0.076 4.264 4.340 0.000 0.000 0.211 422 L C 2.401 179.208 176.870 -0.105 0.000 1.107 422 L CA 0.225 55.019 54.840 -0.076 0.000 0.783 422 L CB -0.294 41.723 42.059 -0.069 0.000 0.919 422 L HN 0.051 nan 8.230 nan 0.000 0.442 423 I N 0.535 121.021 120.570 -0.142 0.000 2.614 423 I HA -0.197 3.973 4.170 0.000 0.000 0.258 423 I C 2.513 178.542 176.117 -0.146 0.000 1.189 423 I CA 0.987 62.181 61.300 -0.176 0.000 1.462 423 I CB -0.278 37.589 38.000 -0.222 0.000 1.092 423 I HN 0.129 nan 8.210 nan 0.000 0.442 424 A N -0.435 122.313 122.820 -0.120 0.000 1.933 424 A HA -0.257 4.063 4.320 0.000 0.000 0.218 424 A C 2.358 179.888 177.584 -0.091 0.000 1.175 424 A CA 1.795 53.770 52.037 -0.104 0.000 0.628 424 A CB -0.709 18.237 19.000 -0.089 0.000 0.814 424 A HN 0.560 nan 8.150 nan 0.000 0.444 425 E N -0.045 120.105 120.200 -0.083 0.000 2.085 425 E HA -0.159 4.191 4.350 0.000 0.000 0.194 425 E C 2.125 178.679 176.600 -0.076 0.000 0.994 425 E CA 1.080 57.438 56.400 -0.070 0.000 0.801 425 E CB -0.247 29.425 29.700 -0.047 0.000 0.743 425 E HN 0.546 nan 8.360 nan 0.000 0.453 426 A N 1.157 123.917 122.820 -0.100 0.000 1.902 426 A HA -0.086 4.234 4.320 0.000 0.000 0.217 426 A C 2.386 179.901 177.584 -0.115 0.000 1.181 426 A CA 1.744 53.706 52.037 -0.124 0.000 0.623 426 A CB -0.720 18.171 19.000 -0.180 0.000 0.818 426 A HN 0.416 nan 8.150 nan 0.000 0.443 427 A N -0.395 122.360 122.820 -0.109 0.000 1.877 427 A HA -0.056 4.265 4.320 0.000 0.000 0.216 427 A C 2.135 179.682 177.584 -0.061 0.000 1.186 427 A CA 1.789 53.776 52.037 -0.083 0.000 0.620 427 A CB -0.651 18.302 19.000 -0.078 0.000 0.822 427 A HN 0.722 nan 8.150 nan 0.000 0.443 428 L N -0.157 121.029 121.223 -0.063 0.000 2.046 428 L HA -0.058 4.282 4.340 0.000 0.000 0.208 428 L C 2.656 179.497 176.870 -0.047 0.000 1.077 428 L CA 2.237 57.047 54.840 -0.050 0.000 0.747 428 L CB -0.953 41.073 42.059 -0.054 0.000 0.896 428 L HN 0.350 nan 8.230 nan 0.000 0.432 429 A N -0.416 122.370 122.820 -0.058 0.000 1.908 429 A HA -0.204 4.116 4.320 0.000 0.000 0.218 429 A C 2.280 179.829 177.584 -0.059 0.000 1.181 429 A CA 2.184 54.186 52.037 -0.058 0.000 0.627 429 A CB -0.961 17.998 19.000 -0.069 0.000 0.818 429 A HN 0.525 nan 8.150 nan 0.000 0.445 430 L N -0.786 120.398 121.223 -0.065 0.000 2.056 430 L HA -0.152 4.189 4.340 0.000 0.000 0.207 430 L C 2.615 179.465 176.870 -0.033 0.000 1.078 430 L CA 1.188 55.992 54.840 -0.059 0.000 0.749 430 L CB -0.553 41.467 42.059 -0.065 0.000 0.901 430 L HN 0.333 nan 8.230 nan 0.000 0.433 431 E N -0.147 120.041 120.200 -0.020 0.000 2.150 431 E HA -0.154 4.196 4.350 0.000 0.000 0.193 431 E C 2.083 178.679 176.600 -0.007 0.000 0.985 431 E CA 1.046 57.447 56.400 0.001 0.000 0.814 431 E CB -0.082 29.631 29.700 0.021 0.000 0.752 431 E HN 0.408 nan 8.360 nan 0.000 0.466 432 M N -0.799 118.790 119.600 -0.018 0.000 2.618 432 M HA 0.115 4.595 4.480 0.000 0.000 0.240 432 M C 0.884 177.172 176.300 -0.020 0.000 1.123 432 M CA 0.600 55.889 55.300 -0.018 0.000 1.060 432 M CB -0.497 32.089 32.600 -0.023 0.000 1.535 432 M HN 0.145 nan 8.290 nan 0.000 0.507 433 G N 1.642 110.427 108.800 -0.025 0.000 2.272 433 G HA2 -0.136 3.824 3.960 0.000 0.000 0.280 433 G HA3 -0.136 3.824 3.960 0.000 0.000 0.280 433 G C 0.273 175.155 174.900 -0.031 0.000 1.067 433 G CA 0.235 45.320 45.100 -0.026 0.000 0.902 433 G HN 0.791 nan 8.290 nan 0.000 0.500 434 A N 0.039 122.832 122.820 -0.044 0.000 2.407 434 A HA 0.798 5.118 4.320 0.000 0.000 0.248 434 A C 1.059 178.605 177.584 -0.064 0.000 1.082 434 A CA 0.977 52.986 52.037 -0.048 0.000 0.785 434 A CB 0.387 19.355 19.000 -0.054 0.000 1.020 434 A HN 1.868 nan 8.150 nan 0.000 0.489 435 T N -0.145 114.378 114.554 -0.052 0.000 2.944 435 T HA 0.451 4.801 4.350 0.000 0.000 0.284 435 T C 1.088 175.727 174.700 -0.102 0.000 1.010 435 T CA -0.885 61.177 62.100 -0.063 0.000 1.025 435 T CB 0.624 69.489 68.868 -0.005 0.000 1.079 435 T HN 0.310 nan 8.240 nan 0.000 0.516 436 L N 0.896 122.000 121.223 -0.197 0.000 2.127 436 L HA -0.091 4.249 4.340 0.000 0.000 0.211 436 L C 2.782 179.641 176.870 -0.018 0.000 1.089 436 L CA 1.885 56.543 54.840 -0.303 0.000 0.757 436 L CB -1.963 39.588 42.059 -0.846 0.000 0.899 436 L HN 0.889 nan 8.230 nan 0.000 0.434 437 T N -0.718 113.932 114.554 0.160 0.000 2.708 437 T HA -0.166 4.184 4.350 0.000 0.000 0.266 437 T C 1.506 176.246 174.700 0.067 0.000 1.037 437 T CA 1.323 63.531 62.100 0.181 0.000 1.146 437 T CB -0.136 68.792 68.868 0.100 0.000 0.865 437 T HN 0.325 nan 8.240 nan 0.000 0.435 438 D N 0.950 121.367 120.400 0.028 0.000 2.123 438 D HA -0.079 4.561 4.640 0.000 0.000 0.196 438 D C 2.088 178.400 176.300 0.021 0.000 0.992 438 D CA 0.806 54.813 54.000 0.013 0.000 0.833 438 D CB -0.372 40.424 40.800 -0.006 0.000 0.954 438 D HN 0.191 nan 8.370 nan 0.000 0.455 439 L N 1.088 122.313 121.223 0.002 0.000 2.017 439 L HA -0.073 4.267 4.340 0.000 0.000 0.208 439 L C 2.231 179.126 176.870 0.041 0.000 1.073 439 L CA 1.857 56.709 54.840 0.020 0.000 0.745 439 L CB -0.752 41.278 42.059 -0.050 0.000 0.894 439 L HN -0.038 nan 8.230 nan 0.000 0.432 440 A N -0.920 121.908 122.820 0.014 0.000 2.019 440 A HA -0.113 4.207 4.320 0.000 0.000 0.219 440 A C 2.126 179.733 177.584 0.038 0.000 1.164 440 A CA 1.668 53.713 52.037 0.013 0.000 0.644 440 A CB -0.793 18.255 19.000 0.079 0.000 0.805 440 A HN 0.501 nan 8.150 nan 0.000 0.449 441 L N -0.136 121.120 121.223 0.054 0.000 2.591 441 L HA 0.041 4.381 4.340 0.000 0.000 0.228 441 L C 0.190 177.099 176.870 0.064 0.000 1.133 441 L CA -0.079 54.790 54.840 0.047 0.000 0.880 441 L CB -0.315 41.761 42.059 0.029 0.000 1.033 441 L HN 0.131 nan 8.230 nan 0.000 0.450 442 T N 0.847 115.468 114.554 0.112 0.000 2.814 442 T HA 0.163 4.513 4.350 0.000 0.000 0.297 442 T C 0.346 175.158 174.700 0.187 0.000 0.956 442 T CA -0.218 61.941 62.100 0.098 0.000 1.123 442 T CB 1.849 70.757 68.868 0.066 0.000 0.902 442 T HN -0.215 nan 8.240 nan 0.000 0.528 443 V N 5.940 125.900 119.914 0.076 0.000 2.364 443 V HA 0.087 4.207 4.120 0.000 0.000 0.252 443 V C 0.328 176.471 176.094 0.082 0.000 1.075 443 V CA -0.420 61.938 62.300 0.097 0.000 1.033 443 V CB -1.220 30.626 31.823 0.038 0.000 1.116 443 V HN 0.777 nan 8.190 nan 0.000 0.488 444 H N 5.964 125.028 119.070 -0.010 0.000 2.629 444 H HA 0.345 4.901 4.556 0.000 0.000 0.357 444 H C -1.878 173.459 175.328 0.014 0.000 1.121 444 H CA -1.629 54.413 56.048 -0.010 0.000 1.406 444 H CB 0.279 30.026 29.762 -0.026 0.000 1.456 444 H HN 0.434 nan 8.280 nan 0.000 0.579 445 P HA 0.079 nan 4.420 nan 0.000 0.271 445 P C -0.747 176.621 177.300 0.113 0.000 1.218 445 P CA -0.066 63.081 63.100 0.079 0.000 0.780 445 P CB 0.916 32.631 31.700 0.025 0.000 0.901 446 H N 2.544 121.627 119.070 0.021 0.000 2.529 446 H HA 0.512 5.068 4.556 0.000 0.000 0.348 446 H C -2.201 173.130 175.328 0.005 0.000 1.079 446 H CA -1.649 54.407 56.048 0.013 0.000 1.198 446 H CB 1.172 30.948 29.762 0.024 0.000 1.521 446 H HN 0.287 nan 8.280 nan 0.000 0.514 447 P HA 0.297 nan 4.420 nan 0.000 0.300 447 P C -1.325 175.830 177.300 -0.243 0.000 1.326 447 P CA -0.586 62.115 63.100 -0.664 0.000 0.844 447 P CB 1.783 33.040 31.700 -0.738 0.000 0.992 448 T N -1.092 113.376 114.554 -0.145 0.000 2.883 448 T HA 0.343 4.693 4.350 0.000 0.000 0.301 448 T C 1.071 175.745 174.700 -0.042 0.000 1.158 448 T CA -0.901 61.160 62.100 -0.065 0.000 1.007 448 T CB 0.911 69.767 68.868 -0.021 0.000 1.186 448 T HN 0.116 nan 8.240 nan 0.000 0.499 449 L N 1.518 122.726 121.223 -0.024 0.000 2.201 449 L HA -0.034 4.306 4.340 0.000 0.000 0.212 449 L C 3.027 179.891 176.870 -0.011 0.000 1.105 449 L CA 1.494 56.329 54.840 -0.008 0.000 0.775 449 L CB -0.580 41.477 42.059 -0.002 0.000 0.913 449 L HN 0.957 nan 8.230 nan 0.000 0.440 450 S N -0.607 115.097 115.700 0.006 0.000 2.442 450 S HA -0.210 4.260 4.470 0.000 0.000 0.236 450 S C 1.639 176.247 174.600 0.014 0.000 1.007 450 S CA 1.036 59.262 58.200 0.044 0.000 0.965 450 S CB -0.327 62.936 63.200 0.104 0.000 0.773 450 S HN 0.489 nan 8.310 nan 0.000 0.504 451 E N 1.132 121.308 120.200 -0.041 0.000 2.265 451 E HA -0.069 4.281 4.350 0.000 0.000 0.196 451 E C 1.946 178.332 176.600 -0.358 0.000 0.996 451 E CA 1.066 57.357 56.400 -0.182 0.000 0.832 451 E CB -0.215 29.431 29.700 -0.090 0.000 0.756 451 E HN 0.621 nan 8.360 nan 0.000 0.491 452 S N 0.838 116.381 115.700 -0.263 0.000 2.399 452 S HA -0.112 4.359 4.470 0.000 0.000 0.231 452 S C 1.843 176.286 174.600 -0.262 0.000 1.022 452 S CA 0.546 58.561 58.200 -0.307 0.000 0.983 452 S CB -0.039 63.178 63.200 0.029 0.000 0.803 452 S HN 0.271 nan 8.310 nan 0.000 0.480 453 L N 0.861 121.956 121.223 -0.214 0.000 2.044 453 L HA -0.040 4.300 4.340 0.000 0.000 0.205 453 L C 2.500 179.197 176.870 -0.288 0.000 1.075 453 L CA 1.309 56.039 54.840 -0.184 0.000 0.747 453 L CB -0.311 41.687 42.059 -0.102 0.000 0.903 453 L HN 0.405 nan 8.230 nan 0.000 0.435 454 M N -0.395 118.879 119.600 -0.543 0.000 2.080 454 M HA -0.271 4.209 4.480 0.000 0.000 0.260 454 M C 1.918 178.019 176.300 -0.331 0.000 1.068 454 M CA 1.911 56.867 55.300 -0.573 0.000 1.109 454 M CB -0.161 31.862 32.600 -0.960 0.000 1.342 454 M HN 0.229 nan 8.290 nan 0.000 0.405 455 E N 0.058 120.014 120.200 -0.408 0.000 2.204 455 E HA -0.118 4.232 4.350 0.000 0.000 0.194 455 E C 1.939 178.453 176.600 -0.145 0.000 0.989 455 E CA 0.935 57.121 56.400 -0.356 0.000 0.824 455 E CB -0.123 29.082 29.700 -0.824 0.000 0.756 455 E HN 0.665 nan 8.360 nan 0.000 0.477 456 A N 1.600 124.349 122.820 -0.119 0.000 1.930 456 A HA -0.060 4.260 4.320 0.000 0.000 0.217 456 A C 2.395 179.999 177.584 0.033 0.000 1.175 456 A CA 1.471 53.541 52.037 0.055 0.000 0.627 456 A CB -0.416 18.613 19.000 0.048 0.000 0.815 456 A HN 0.277 nan 8.150 nan 0.000 0.443 457 A N 0.025 122.813 122.820 -0.052 0.000 1.898 457 A HA -0.158 4.162 4.320 0.000 0.000 0.216 457 A C 1.914 179.508 177.584 0.016 0.000 1.181 457 A CA 1.551 53.542 52.037 -0.077 0.000 0.620 457 A CB -0.474 18.460 19.000 -0.110 0.000 0.819 457 A HN 0.635 nan 8.150 nan 0.000 0.442 458 E N -0.193 120.037 120.200 0.049 0.000 2.106 458 E HA -0.066 4.284 4.350 0.000 0.000 0.192 458 E C 2.242 178.931 176.600 0.149 0.000 0.984 458 E CA 0.813 57.289 56.400 0.127 0.000 0.806 458 E CB -0.273 29.465 29.700 0.064 0.000 0.750 458 E HN 0.610 nan 8.360 nan 0.000 0.458 459 A N 1.147 124.047 122.820 0.133 0.000 2.015 459 A HA -0.166 4.154 4.320 0.000 0.000 0.219 459 A C 1.919 179.576 177.584 0.122 0.000 1.163 459 A CA 0.787 52.908 52.037 0.139 0.000 0.646 459 A CB -0.692 18.411 19.000 0.172 0.000 0.806 459 A HN 0.340 nan 8.150 nan 0.000 0.448 460 F N 0.371 120.281 119.950 -0.066 0.000 2.216 460 F HA -0.177 4.350 4.527 0.000 0.000 0.300 460 F C 1.810 177.523 175.800 -0.145 0.000 1.085 460 F CA 2.037 59.949 58.000 -0.147 0.000 1.326 460 F CB -0.270 38.563 39.000 -0.278 0.000 1.027 460 F HN 0.430 nan 8.300 nan 0.000 0.497 461 H N 0.439 119.636 119.070 0.212 0.000 2.524 461 H HA 0.161 4.717 4.556 0.000 0.000 0.280 461 H C 0.162 175.505 175.328 0.025 0.000 1.018 461 H CA -0.166 55.939 56.048 0.096 0.000 1.165 461 H CB 0.093 29.946 29.762 0.153 0.000 1.411 461 H HN -0.097 nan 8.280 nan 0.000 0.569 462 K N 0.867 121.327 120.400 0.100 0.000 3.069 462 K HA -0.238 4.082 4.320 0.000 0.000 0.267 462 K C -0.048 176.597 176.600 0.075 0.000 1.082 462 K CA 1.028 57.352 56.287 0.061 0.000 0.782 462 K CB -1.944 30.570 32.500 0.024 0.000 1.230 462 K HN 0.762 nan 8.250 nan 0.000 0.488 463 Q N -1.809 118.052 119.800 0.103 0.000 2.106 463 Q HA 0.503 4.843 4.340 0.000 0.000 0.273 463 Q C 0.152 176.190 176.000 0.064 0.000 0.853 463 Q CA -0.049 55.798 55.803 0.073 0.000 1.118 463 Q CB 0.901 29.680 28.738 0.067 0.000 1.240 463 Q HN 0.254 nan 8.270 nan 0.000 0.445 464 A N 1.097 123.968 122.820 0.085 0.000 2.445 464 A HA 0.254 4.574 4.320 0.000 0.000 0.242 464 A C 0.868 178.485 177.584 0.055 0.000 1.075 464 A CA -0.221 51.873 52.037 0.095 0.000 0.777 464 A CB 0.226 19.343 19.000 0.196 0.000 1.013 464 A HN 0.448 nan 8.150 nan 0.000 0.493 465 I N 0.482 121.049 120.570 -0.005 0.000 2.810 465 I HA -0.038 4.132 4.170 0.000 0.000 0.262 465 I C 1.591 177.637 176.117 -0.117 0.000 1.131 465 I CA 1.380 62.606 61.300 -0.124 0.000 1.453 465 I CB -1.518 36.301 38.000 -0.301 0.000 1.161 465 I HN 0.853 nan 8.210 nan 0.000 0.444 466 H N 1.333 120.506 119.070 0.173 0.000 2.556 466 H HA 0.222 4.778 4.556 0.000 0.000 0.268 466 H C 0.435 175.861 175.328 0.163 0.000 0.996 466 H CA 0.219 56.390 56.048 0.205 0.000 1.157 466 H CB 0.022 29.978 29.762 0.323 0.000 1.355 466 H HN 0.330 nan 8.280 nan 0.000 0.597 467 I N -2.967 117.736 120.570 0.221 0.000 2.969 467 I HA 0.335 4.505 4.170 0.000 0.000 0.307 467 I C -0.914 175.243 176.117 0.066 0.000 1.149 467 I CA -1.436 59.921 61.300 0.094 0.000 1.008 467 I CB 2.283 40.296 38.000 0.022 0.000 1.232 467 I HN -0.201 nan 8.210 nan 0.000 0.435 468 L N 3.191 124.433 121.223 0.033 0.000 2.395 468 L HA 0.384 4.724 4.340 0.000 0.000 0.269 468 L C 0.303 177.190 176.870 0.027 0.000 1.133 468 L CA -0.290 54.565 54.840 0.025 0.000 0.812 468 L CB 0.366 42.433 42.059 0.013 0.000 1.125 468 L HN 0.645 nan 8.230 nan 0.000 0.452 469 N N 0.000 118.716 118.700 0.027 0.000 1.763 469 N HA 0.000 4.740 4.740 0.000 0.000 0.220 469 N CA 0.000 53.066 53.050 0.027 0.000 0.885 469 N CB 0.000 38.506 38.487 0.032 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667