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 2vtd_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVcVV NADDALTMPI RXXXERcVSF GVNMGDYHLN HXXGETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.325 177.584 -0.432 0.000 1.274 1 A CA 0.000 51.889 52.037 -0.247 0.000 0.836 1 A CB 0.000 18.857 19.000 -0.239 0.000 0.831 2 D N 0.188 120.289 120.400 -0.498 0.000 2.620 2 D HA 0.584 5.011 4.640 -0.356 0.000 0.252 2 D C -0.745 175.296 176.300 -0.431 0.000 1.207 2 D CA -0.060 53.689 54.000 -0.419 0.000 0.884 2 D CB 0.896 41.586 40.800 -0.184 0.000 1.262 2 D HN 0.364 nan 8.370 nan 0.000 0.552 3 Y N 1.172 121.525 120.300 0.088 0.000 2.449 3 Y HA 0.188 4.769 4.550 0.051 0.000 0.254 3 Y C 1.411 177.354 175.900 0.071 0.000 1.140 3 Y CA -0.303 57.875 58.100 0.130 0.000 1.272 3 Y CB -0.159 38.484 38.460 0.306 0.000 1.114 3 Y HN 0.358 nan 8.280 nan 0.000 0.525 4 Q N 0.799 120.667 119.800 0.113 0.000 2.286 4 Q HA 0.261 4.388 4.340 -0.356 0.000 0.290 4 Q C 1.259 177.287 176.000 0.047 0.000 1.049 4 Q CA 1.270 57.114 55.803 0.068 0.000 0.923 4 Q CB 0.229 28.982 28.738 0.024 0.000 1.183 4 Q HN 0.705 nan 8.270 nan 0.000 0.383 5 G N 3.182 112.002 108.800 0.035 0.000 2.205 5 G HA2 -0.229 3.517 3.960 -0.356 0.000 0.261 5 G HA3 -0.229 3.517 3.960 -0.356 0.000 0.261 5 G C -0.194 174.711 174.900 0.008 0.000 0.980 5 G CA 0.174 45.282 45.100 0.013 0.000 0.632 5 G HN 0.539 nan 8.290 nan 0.000 0.533 6 K N 0.591 121.009 120.400 0.030 0.000 2.154 6 K HA 0.238 4.344 4.320 -0.356 0.000 0.264 6 K C 0.037 176.607 176.600 -0.049 0.000 1.008 6 K CA -0.609 55.687 56.287 0.014 0.000 0.937 6 K CB 0.899 33.444 32.500 0.075 0.000 1.002 6 K HN 0.351 nan 8.250 nan 0.000 0.469 7 N N 1.241 119.900 118.700 -0.069 0.000 2.415 7 N HA 0.128 4.655 4.740 -0.356 0.000 0.246 7 N C -1.257 174.160 175.510 -0.156 0.000 1.078 7 N CA -0.377 52.600 53.050 -0.122 0.000 0.942 7 N CB 0.554 38.979 38.487 -0.104 0.000 1.140 7 N HN 0.111 nan 8.380 nan 0.000 0.501 8 V N 4.047 123.816 119.914 -0.242 0.000 2.417 8 V HA 0.385 4.292 4.120 -0.356 0.000 0.291 8 V C -0.179 175.729 176.094 -0.310 0.000 1.024 8 V CA -0.749 61.344 62.300 -0.345 0.000 0.861 8 V CB 1.562 32.974 31.823 -0.685 0.000 0.985 8 V HN 0.319 nan 8.190 nan 0.000 0.436 9 V N 6.319 126.101 119.914 -0.220 0.000 2.495 9 V HA 0.528 4.435 4.120 -0.356 0.000 0.298 9 V C -0.251 175.786 176.094 -0.095 0.000 1.031 9 V CA -0.469 61.754 62.300 -0.128 0.000 0.871 9 V CB 1.970 33.775 31.823 -0.029 0.000 0.988 9 V HN 0.686 nan 8.190 nan 0.000 0.432 10 I N 5.554 126.094 120.570 -0.049 0.000 2.354 10 I HA 0.466 4.423 4.170 -0.356 0.000 0.292 10 I C -0.474 175.659 176.117 0.026 0.000 0.989 10 I CA -0.321 60.977 61.300 -0.003 0.000 1.188 10 I CB 1.541 39.558 38.000 0.028 0.000 1.342 10 I HN 0.421 nan 8.210 nan 0.000 0.457 11 I N 5.928 126.504 120.570 0.011 0.000 2.328 11 I HA 0.558 4.514 4.170 -0.356 0.000 0.287 11 I C 0.381 176.496 176.117 -0.002 0.000 1.012 11 I CA -0.389 60.910 61.300 -0.002 0.000 1.195 11 I CB 1.193 39.169 38.000 -0.039 0.000 1.350 11 I HN 0.821 nan 8.210 nan 0.000 0.464 12 G N 4.693 113.499 108.800 0.009 0.000 3.355 12 G HA2 -0.091 3.655 3.960 -0.356 0.000 0.686 12 G HA3 -0.091 3.655 3.960 -0.356 0.000 0.686 12 G C -0.684 174.233 174.900 0.028 0.000 1.097 12 G CA -0.746 44.361 45.100 0.011 0.000 0.881 12 G HN 0.471 nan 8.290 nan 0.000 0.550 13 L N 3.557 124.799 121.223 0.031 0.000 2.157 13 L HA 0.759 4.886 4.340 -0.356 0.000 0.201 13 L C 2.453 179.343 176.870 0.033 0.000 1.221 13 L CA 3.031 57.894 54.840 0.037 0.000 0.915 13 L CB -1.149 40.933 42.059 0.038 0.000 1.013 13 L HN 2.514 nan 8.230 nan 0.000 0.522 14 G N -0.358 108.459 108.800 0.029 0.000 2.531 14 G HA2 -0.384 3.363 3.960 -0.356 0.000 0.477 14 G HA3 -0.384 3.363 3.960 -0.356 0.000 0.477 14 G C 0.778 175.695 174.900 0.028 0.000 1.342 14 G CA 0.649 45.765 45.100 0.027 0.000 0.911 14 G HN 0.728 nan 8.290 nan 0.000 0.532 15 L N -0.220 121.018 121.223 0.025 0.000 2.056 15 L HA 0.043 4.170 4.340 -0.356 0.000 0.207 15 L C 3.132 180.017 176.870 0.024 0.000 1.078 15 L CA 3.282 58.136 54.840 0.023 0.000 0.749 15 L CB -1.081 40.989 42.059 0.017 0.000 0.901 15 L HN 0.756 nan 8.230 nan 0.000 0.433 16 T N -0.475 114.093 114.554 0.022 0.000 2.652 16 T HA -0.135 4.002 4.350 -0.356 0.000 0.267 16 T C 1.726 176.443 174.700 0.028 0.000 1.039 16 T CA 1.402 63.512 62.100 0.017 0.000 1.153 16 T CB -1.040 67.837 68.868 0.015 0.000 0.863 16 T HN 0.575 nan 8.240 nan 0.000 0.428 17 G N 1.415 110.236 108.800 0.035 0.000 2.476 17 G HA2 -0.183 3.563 3.960 -0.356 0.000 0.218 17 G HA3 -0.183 3.563 3.960 -0.356 0.000 0.218 17 G C 1.529 176.468 174.900 0.065 0.000 1.164 17 G CA 0.690 45.820 45.100 0.050 0.000 0.768 17 G HN 0.445 nan 8.290 nan 0.000 0.560 18 L N 1.368 122.623 121.223 0.055 0.000 2.042 18 L HA -0.160 3.967 4.340 -0.356 0.000 0.210 18 L C 3.375 180.287 176.870 0.071 0.000 1.076 18 L CA 1.681 56.557 54.840 0.060 0.000 0.749 18 L CB -0.533 41.554 42.059 0.046 0.000 0.893 18 L HN 0.476 nan 8.230 nan 0.000 0.432 19 S N -1.022 114.712 115.700 0.058 0.000 2.368 19 S HA -0.223 4.034 4.470 -0.356 0.000 0.225 19 S C 2.105 176.756 174.600 0.086 0.000 1.030 19 S CA 1.364 59.600 58.200 0.060 0.000 0.999 19 S CB -1.060 62.158 63.200 0.029 0.000 0.844 19 S HN 0.463 nan 8.310 nan 0.000 0.459 20 C N 1.130 120.480 119.300 0.084 0.000 2.429 20 C HA 0.035 4.281 4.460 -0.356 0.000 0.277 20 C C 2.798 177.964 174.990 0.293 0.000 1.262 20 C CA 0.616 59.723 59.018 0.148 0.000 1.733 20 C CB -1.528 26.312 27.740 0.167 0.000 2.010 20 C HN 0.542 nan 8.230 nan 0.000 0.483 21 V N 1.562 121.605 119.914 0.215 0.000 2.255 21 V HA -0.236 3.671 4.120 -0.356 0.000 0.247 21 V C 2.172 178.380 176.094 0.189 0.000 1.051 21 V CA 2.391 64.815 62.300 0.207 0.000 1.018 21 V CB -0.733 31.163 31.823 0.122 0.000 0.641 21 V HN 0.489 nan 8.190 nan 0.000 0.445 22 D N -0.544 119.939 120.400 0.137 0.000 2.123 22 D HA -0.209 4.217 4.640 -0.356 0.000 0.196 22 D C 1.892 178.249 176.300 0.095 0.000 0.992 22 D CA 1.445 55.506 54.000 0.101 0.000 0.833 22 D CB -0.425 40.425 40.800 0.084 0.000 0.954 22 D HN 0.475 nan 8.370 nan 0.000 0.455 23 F N 0.664 120.576 119.950 -0.065 0.000 2.095 23 F HA -0.244 4.063 4.527 -0.368 0.000 0.298 23 F C 2.006 177.651 175.800 -0.257 0.000 1.104 23 F CA 1.392 59.267 58.000 -0.207 0.000 1.232 23 F CB -0.344 38.435 39.000 -0.369 0.000 0.987 23 F HN -0.170 nan 8.300 nan 0.000 0.475 24 F N 0.269 120.233 119.950 0.024 0.000 2.163 24 F HA -0.103 4.179 4.527 -0.408 0.000 0.297 24 F C 2.220 177.960 175.800 -0.099 0.000 1.094 24 F CA 1.260 59.206 58.000 -0.090 0.000 1.290 24 F CB -1.007 37.989 39.000 -0.007 0.000 1.017 24 F HN -0.090 nan 8.300 nan 0.000 0.483 25 L N -0.221 121.072 121.223 0.117 0.000 2.013 25 L HA -0.263 3.864 4.340 -0.356 0.000 0.212 25 L C 2.688 179.552 176.870 -0.009 0.000 1.073 25 L CA 1.391 56.261 54.840 0.050 0.000 0.753 25 L CB -1.250 40.839 42.059 0.050 0.000 0.890 25 L HN 0.143 nan 8.230 nan 0.000 0.432 26 A N -0.216 122.573 122.820 -0.052 0.000 2.131 26 A HA -0.179 3.927 4.320 -0.356 0.000 0.220 26 A C 2.172 179.687 177.584 -0.114 0.000 1.158 26 A CA 1.437 53.426 52.037 -0.080 0.000 0.665 26 A CB -0.455 18.485 19.000 -0.099 0.000 0.795 26 A HN 0.394 nan 8.150 nan 0.000 0.460 27 R N -1.813 118.600 120.500 -0.145 0.000 2.468 27 R HA 0.300 4.426 4.340 -0.356 0.000 0.280 27 R C 0.967 177.253 176.300 -0.024 0.000 0.963 27 R CA 0.514 56.538 56.100 -0.126 0.000 1.083 27 R CB 0.211 30.369 30.300 -0.237 0.000 1.200 27 R HN 0.603 nan 8.270 nan 0.000 0.541 28 G N 0.561 109.358 108.800 -0.006 0.000 2.137 28 G HA2 -0.230 3.516 3.960 -0.356 0.000 0.237 28 G HA3 -0.230 3.516 3.960 -0.356 0.000 0.237 28 G C -0.162 174.761 174.900 0.039 0.000 1.002 28 G CA 0.073 45.181 45.100 0.013 0.000 0.702 28 G HN 0.143 nan 8.290 nan 0.000 0.515 29 V N 0.814 120.773 119.914 0.075 0.000 2.444 29 V HA 0.593 4.499 4.120 -0.356 0.000 0.294 29 V C 0.379 176.504 176.094 0.052 0.000 1.022 29 V CA -0.351 61.997 62.300 0.081 0.000 0.850 29 V CB 1.885 33.815 31.823 0.178 0.000 0.992 29 V HN 0.269 nan 8.190 nan 0.000 0.426 30 T N 7.626 122.173 114.554 -0.011 0.000 2.747 30 T HA 0.381 4.517 4.350 -0.356 0.000 0.301 30 T C -2.108 172.527 174.700 -0.109 0.000 0.952 30 T CA -0.704 61.374 62.100 -0.037 0.000 0.983 30 T CB 0.932 69.772 68.868 -0.045 0.000 0.930 30 T HN 0.534 nan 8.240 nan 0.000 0.494 31 P HA 0.419 nan 4.420 nan 0.000 0.278 31 P C -0.357 176.827 177.300 -0.194 0.000 1.266 31 P CA -0.891 62.077 63.100 -0.219 0.000 0.807 31 P CB 1.329 32.893 31.700 -0.227 0.000 1.094 32 R N -0.194 120.152 120.500 -0.258 0.000 2.598 32 R HA 0.657 4.783 4.340 -0.356 0.000 0.279 32 R C -0.769 175.506 176.300 -0.041 0.000 0.984 32 R CA -1.054 54.890 56.100 -0.259 0.000 0.999 32 R CB 1.391 31.262 30.300 -0.715 0.000 1.114 32 R HN 0.238 nan 8.270 nan 0.000 0.493 33 V N 3.712 123.702 119.914 0.126 0.000 2.588 33 V HA 0.456 4.363 4.120 -0.356 0.000 0.304 33 V C -0.082 176.188 176.094 0.292 0.000 1.042 33 V CA -0.760 61.638 62.300 0.163 0.000 0.877 33 V CB 1.693 33.586 31.823 0.116 0.000 0.996 33 V HN 0.756 nan 8.190 nan 0.000 0.425 34 M N 2.091 121.817 119.600 0.210 0.000 2.644 34 M HA 0.839 5.106 4.480 -0.356 0.000 0.304 34 M C -1.664 174.688 176.300 0.085 0.000 1.215 34 M CA -0.496 54.908 55.300 0.174 0.000 0.871 34 M CB 2.868 35.544 32.600 0.128 0.000 1.740 34 M HN 0.535 nan 8.290 nan 0.000 0.464 35 D N 0.660 121.102 120.400 0.069 0.000 2.886 35 D HA 0.175 4.602 4.640 -0.356 0.000 0.216 35 D C 0.280 176.592 176.300 0.019 0.000 1.256 35 D CA 0.004 54.020 54.000 0.026 0.000 0.844 35 D CB 2.570 43.385 40.800 0.026 0.000 1.669 35 D HN 0.901 nan 8.370 nan 0.000 0.513 36 T N 0.478 115.031 114.554 -0.001 0.000 3.007 36 T HA 0.030 4.166 4.350 -0.356 0.000 0.270 36 T C 0.961 175.664 174.700 0.006 0.000 1.107 36 T CA 0.531 62.636 62.100 0.008 0.000 1.118 36 T CB 0.073 68.950 68.868 0.015 0.000 0.889 36 T HN 0.191 nan 8.240 nan 0.000 0.506 37 R N 0.256 120.757 120.500 0.002 0.000 2.390 37 R HA 0.461 4.588 4.340 -0.356 0.000 0.291 37 R C 1.113 177.404 176.300 -0.014 0.000 1.070 37 R CA -0.505 55.593 56.100 -0.003 0.000 1.014 37 R CB 0.664 30.965 30.300 0.003 0.000 1.007 37 R HN 0.066 nan 8.270 nan 0.000 0.466 38 M N 1.238 120.825 119.600 -0.022 0.000 2.175 38 M HA -0.100 4.166 4.480 -0.356 0.000 0.264 38 M C 0.770 177.053 176.300 -0.029 0.000 1.063 38 M CA 1.792 57.070 55.300 -0.037 0.000 1.119 38 M CB 0.396 32.973 32.600 -0.038 0.000 1.377 38 M HN 0.475 nan 8.290 nan 0.000 0.415 39 T N 2.827 117.371 114.554 -0.016 0.000 3.226 39 T HA 0.431 4.567 4.350 -0.356 0.000 0.378 39 T C -2.720 171.980 174.700 0.000 0.000 1.380 39 T CA -1.819 60.276 62.100 -0.009 0.000 1.396 39 T CB 0.376 69.239 68.868 -0.009 0.000 1.044 39 T HN 0.136 nan 8.240 nan 0.000 0.586 40 P HA 0.454 nan 4.420 nan 0.000 0.277 40 P C -2.891 174.418 177.300 0.014 0.000 1.240 40 P CA -1.842 61.265 63.100 0.012 0.000 0.798 40 P CB 0.085 31.794 31.700 0.016 0.000 0.979 41 P HA 0.111 nan 4.420 nan 0.000 0.265 41 P C 1.046 178.359 177.300 0.021 0.000 1.193 41 P CA 1.121 64.232 63.100 0.017 0.000 0.765 41 P CB -0.063 31.649 31.700 0.019 0.000 0.823 42 G N 1.603 110.415 108.800 0.020 0.000 2.213 42 G HA2 -0.311 3.435 3.960 -0.356 0.000 0.236 42 G HA3 -0.311 3.435 3.960 -0.356 0.000 0.236 42 G C 0.732 175.648 174.900 0.026 0.000 0.991 42 G CA 0.240 45.355 45.100 0.024 0.000 0.629 42 G HN 0.551 nan 8.290 nan 0.000 0.517 43 L N 1.780 123.017 121.223 0.024 0.000 2.013 43 L HA 0.030 4.157 4.340 -0.356 0.000 0.212 43 L C 2.078 178.962 176.870 0.023 0.000 1.073 43 L CA 3.067 57.922 54.840 0.025 0.000 0.753 43 L CB -0.610 41.460 42.059 0.018 0.000 0.890 43 L HN 0.286 nan 8.230 nan 0.000 0.432 44 D N -0.880 119.531 120.400 0.018 0.000 2.350 44 D HA -0.125 4.302 4.640 -0.356 0.000 0.216 44 D C 1.822 178.133 176.300 0.019 0.000 0.968 44 D CA 0.690 54.700 54.000 0.017 0.000 0.894 44 D CB 0.154 40.962 40.800 0.012 0.000 0.909 44 D HN 0.288 nan 8.370 nan 0.000 0.520 45 K N -0.233 120.181 120.400 0.023 0.000 2.367 45 K HA 0.135 4.241 4.320 -0.356 0.000 0.194 45 K C 0.247 176.865 176.600 0.030 0.000 1.027 45 K CA -0.342 55.960 56.287 0.025 0.000 1.075 45 K CB 0.229 32.744 32.500 0.025 0.000 0.845 45 K HN -0.014 nan 8.250 nan 0.000 0.529 46 L N 2.618 123.861 121.223 0.033 0.000 2.499 46 L HA 0.096 4.223 4.340 -0.356 0.000 0.273 46 L C -2.255 174.636 176.870 0.034 0.000 1.195 46 L CA -1.723 53.140 54.840 0.038 0.000 0.882 46 L CB -0.041 42.044 42.059 0.043 0.000 1.133 46 L HN 0.013 nan 8.230 nan 0.000 0.483 47 P HA 0.025 nan 4.420 nan 0.000 0.265 47 P C 0.119 177.435 177.300 0.027 0.000 1.193 47 P CA 0.076 63.194 63.100 0.029 0.000 0.765 47 P CB 0.439 32.157 31.700 0.030 0.000 0.823 48 E N 2.130 122.343 120.200 0.023 0.000 2.265 48 E HA -0.159 3.977 4.350 -0.356 0.000 0.196 48 E C 1.593 178.205 176.600 0.021 0.000 0.996 48 E CA 1.121 57.534 56.400 0.022 0.000 0.832 48 E CB -0.158 29.553 29.700 0.018 0.000 0.756 48 E HN 0.503 nan 8.360 nan 0.000 0.491 49 A N 0.919 123.748 122.820 0.016 0.000 2.208 49 A HA 0.043 4.150 4.320 -0.356 0.000 0.209 49 A C 1.009 178.596 177.584 0.004 0.000 1.161 49 A CA 0.080 52.123 52.037 0.009 0.000 0.782 49 A CB 0.307 19.309 19.000 0.004 0.000 0.816 49 A HN -0.002 nan 8.150 nan 0.000 0.477 50 V N 2.118 122.040 119.914 0.013 0.000 2.427 50 V HA 0.071 3.978 4.120 -0.356 0.000 0.268 50 V C 0.183 176.293 176.094 0.027 0.000 1.046 50 V CA -0.503 61.801 62.300 0.008 0.000 0.970 50 V CB 0.663 32.500 31.823 0.023 0.000 1.001 50 V HN 0.484 nan 8.190 nan 0.000 0.476 51 E N 5.723 125.921 120.200 -0.003 0.000 2.384 51 E HA 0.255 4.392 4.350 -0.356 0.000 0.266 51 E C 0.055 176.776 176.600 0.202 0.000 1.012 51 E CA -0.213 56.230 56.400 0.071 0.000 0.901 51 E CB 0.683 30.341 29.700 -0.069 0.000 0.967 51 E HN 0.570 nan 8.360 nan 0.000 0.435 52 R N 2.698 123.402 120.500 0.340 0.000 2.771 52 R HA 0.419 4.546 4.340 -0.356 0.000 0.274 52 R C -1.761 174.739 176.300 0.333 0.000 0.987 52 R CA -0.859 55.464 56.100 0.373 0.000 0.908 52 R CB 1.161 31.570 30.300 0.181 0.000 1.213 52 R HN 0.686 nan 8.270 nan 0.000 0.468 53 H N 0.784 119.912 119.070 0.097 0.000 2.744 53 H HA 0.465 4.808 4.556 -0.355 0.000 0.339 53 H C -1.116 174.151 175.328 -0.101 0.000 1.004 53 H CA -0.116 55.820 56.048 -0.186 0.000 1.257 53 H CB 1.464 30.834 29.762 -0.654 0.000 1.552 53 H HN 0.944 nan 8.280 nan 0.000 0.522 54 T N 1.383 115.746 114.554 -0.318 0.000 2.930 54 T HA 0.552 4.688 4.350 -0.356 0.000 0.290 54 T C 1.000 175.575 174.700 -0.209 0.000 1.052 54 T CA -0.297 61.712 62.100 -0.152 0.000 1.017 54 T CB 1.653 70.471 68.868 -0.084 0.000 1.137 54 T HN 1.047 nan 8.240 nan 0.000 0.511 55 G N 0.500 109.250 108.800 -0.083 0.000 2.195 55 G HA2 -0.005 3.742 3.960 -0.356 0.000 0.246 55 G HA3 -0.005 3.742 3.960 -0.356 0.000 0.246 55 G C 0.223 175.115 174.900 -0.013 0.000 0.984 55 G CA 0.551 45.613 45.100 -0.063 0.000 0.633 55 G HN 2.196 nan 8.290 nan 0.000 0.525 56 S N -1.496 114.229 115.700 0.042 0.000 2.643 56 S HA 0.649 4.906 4.470 -0.356 0.000 0.266 56 S C -0.765 173.897 174.600 0.103 0.000 1.130 56 S CA -0.909 57.343 58.200 0.088 0.000 0.817 56 S CB 1.294 64.559 63.200 0.108 0.000 1.107 56 S HN 0.869 nan 8.310 nan 0.000 0.471 57 L N 2.042 123.262 121.223 -0.006 0.000 2.350 57 L HA 0.483 4.610 4.340 -0.356 0.000 0.275 57 L C 0.175 176.879 176.870 -0.275 0.000 1.099 57 L CA -0.731 54.032 54.840 -0.129 0.000 0.808 57 L CB 0.554 42.506 42.059 -0.178 0.000 1.149 57 L HN 0.729 nan 8.230 nan 0.000 0.442 58 N N 2.014 120.383 118.700 -0.552 0.000 2.439 58 N HA 0.049 4.576 4.740 -0.356 0.000 0.249 58 N C 0.156 175.476 175.510 -0.317 0.000 1.003 58 N CA -0.211 52.391 53.050 -0.748 0.000 0.942 58 N CB 1.171 38.766 38.487 -1.486 0.000 1.115 58 N HN 0.497 nan 8.380 nan 0.000 0.505 59 D N 2.722 123.004 120.400 -0.196 0.000 2.224 59 D HA -0.090 4.337 4.640 -0.356 0.000 0.205 59 D C 1.017 177.301 176.300 -0.027 0.000 0.965 59 D CA 0.962 54.916 54.000 -0.076 0.000 0.852 59 D CB 0.512 41.285 40.800 -0.044 0.000 0.947 59 D HN 0.693 nan 8.370 nan 0.000 0.494 60 E N 0.036 120.210 120.200 -0.044 0.000 2.031 60 E HA -0.172 3.965 4.350 -0.356 0.000 0.193 60 E C 2.061 178.773 176.600 0.188 0.000 0.994 60 E CA 0.752 57.183 56.400 0.052 0.000 0.800 60 E CB -0.149 29.583 29.700 0.053 0.000 0.752 60 E HN 0.327 nan 8.360 nan 0.000 0.447 61 W N 1.207 122.447 121.300 -0.100 0.000 2.338 61 W HA -0.102 4.350 4.660 -0.347 0.000 0.304 61 W C 2.155 178.625 176.519 -0.082 0.000 1.212 61 W CA 0.592 57.882 57.345 -0.092 0.000 1.264 61 W CB -1.062 28.329 29.460 -0.115 0.000 1.142 61 W HN 0.078 nan 8.180 nan 0.000 0.512 62 L N -0.623 120.684 121.223 0.140 0.000 2.046 62 L HA -0.244 3.883 4.340 -0.356 0.000 0.208 62 L C 2.327 179.221 176.870 0.039 0.000 1.077 62 L CA 0.998 55.873 54.840 0.058 0.000 0.747 62 L CB -0.735 41.333 42.059 0.015 0.000 0.896 62 L HN -0.085 nan 8.230 nan 0.000 0.432 63 M N -0.977 118.648 119.600 0.041 0.000 2.492 63 M HA 0.013 4.279 4.480 -0.356 0.000 0.262 63 M C 2.224 178.540 176.300 0.026 0.000 1.090 63 M CA 0.938 56.255 55.300 0.028 0.000 1.110 63 M CB -1.071 31.544 32.600 0.024 0.000 1.407 63 M HN 0.200 nan 8.290 nan 0.000 0.470 64 A N 0.153 122.994 122.820 0.036 0.000 2.169 64 A HA 0.436 4.543 4.320 -0.356 0.000 0.212 64 A C 1.289 178.866 177.584 -0.012 0.000 1.153 64 A CA 0.475 52.521 52.037 0.015 0.000 0.756 64 A CB -0.439 18.574 19.000 0.021 0.000 0.813 64 A HN 0.360 nan 8.150 nan 0.000 0.471 65 A N 0.165 122.979 122.820 -0.010 0.000 2.462 65 A HA 0.366 4.472 4.320 -0.356 0.000 0.243 65 A C 0.487 178.058 177.584 -0.022 0.000 1.076 65 A CA 0.035 52.052 52.037 -0.033 0.000 0.773 65 A CB 0.234 19.216 19.000 -0.031 0.000 1.010 65 A HN 0.314 nan 8.150 nan 0.000 0.493 66 D N -0.221 120.161 120.400 -0.030 0.000 2.271 66 D HA 0.132 4.559 4.640 -0.356 0.000 0.206 66 D C -0.153 176.154 176.300 0.011 0.000 0.967 66 D CA 1.054 55.052 54.000 -0.003 0.000 0.867 66 D CB 0.237 41.039 40.800 0.004 0.000 0.960 66 D HN 0.332 nan 8.370 nan 0.000 0.509 67 L N 0.504 121.717 121.223 -0.017 0.000 2.526 67 L HA 0.403 4.530 4.340 -0.356 0.000 0.263 67 L C -1.773 175.066 176.870 -0.052 0.000 0.943 67 L CA -0.492 54.344 54.840 -0.007 0.000 0.859 67 L CB 2.343 44.416 42.059 0.024 0.000 1.313 67 L HN -0.254 nan 8.230 nan 0.000 0.406 68 I N 5.010 125.567 120.570 -0.022 0.000 2.404 68 I HA 0.502 4.459 4.170 -0.356 0.000 0.293 68 I C -0.800 175.309 176.117 -0.013 0.000 0.992 68 I CA -0.963 60.320 61.300 -0.029 0.000 1.149 68 I CB 2.012 40.005 38.000 -0.011 0.000 1.315 68 I HN 0.273 nan 8.210 nan 0.000 0.446 69 V N 6.113 126.016 119.914 -0.019 0.000 2.293 69 V HA 0.484 4.391 4.120 -0.356 0.000 0.275 69 V C 0.365 176.466 176.094 0.011 0.000 1.021 69 V CA -0.572 61.738 62.300 0.018 0.000 0.815 69 V CB 1.127 32.992 31.823 0.070 0.000 1.025 69 V HN 0.801 nan 8.190 nan 0.000 0.448 70 A N 3.653 126.476 122.820 0.006 0.000 2.260 70 A HA 0.641 4.748 4.320 -0.356 0.000 0.308 70 A C 0.540 178.122 177.584 -0.004 0.000 1.254 70 A CA -0.178 51.854 52.037 -0.008 0.000 0.874 70 A CB 0.875 19.864 19.000 -0.017 0.000 1.153 70 A HN 0.819 nan 8.150 nan 0.000 0.527 71 S N 3.546 119.242 115.700 -0.008 0.000 2.558 71 S HA 0.163 4.420 4.470 -0.356 0.000 0.288 71 S C -0.874 173.719 174.600 -0.011 0.000 1.318 71 S CA -0.538 57.661 58.200 -0.002 0.000 1.056 71 S CB 0.409 63.608 63.200 -0.003 0.000 0.853 71 S HN 0.576 nan 8.310 nan 0.000 0.505 72 P HA 0.017 nan 4.420 nan 0.000 0.225 72 P C 1.265 178.515 177.300 -0.083 0.000 1.148 72 P CA 1.123 64.250 63.100 0.046 0.000 0.779 72 P CB -0.436 31.364 31.700 0.167 0.000 0.780 73 G N -0.387 108.375 108.800 -0.064 0.000 2.650 73 G HA2 -0.022 3.724 3.960 -0.356 0.000 0.214 73 G HA3 -0.022 3.724 3.960 -0.356 0.000 0.214 73 G C 0.603 175.394 174.900 -0.182 0.000 1.136 73 G CA -0.077 44.955 45.100 -0.114 0.000 0.789 73 G HN 0.337 nan 8.290 nan 0.000 0.536 74 I N 0.921 121.390 120.570 -0.167 0.000 2.412 74 I HA 0.653 4.609 4.170 -0.356 0.000 0.296 74 I C 0.214 176.219 176.117 -0.186 0.000 0.987 74 I CA -1.162 60.047 61.300 -0.150 0.000 1.180 74 I CB 1.737 39.669 38.000 -0.113 0.000 1.340 74 I HN 0.036 nan 8.210 nan 0.000 0.455 75 A N 7.136 129.860 122.820 -0.160 0.000 2.450 75 A HA 0.285 4.391 4.320 -0.356 0.000 0.255 75 A C 0.969 178.522 177.584 -0.050 0.000 1.096 75 A CA -0.277 51.664 52.037 -0.160 0.000 0.778 75 A CB 0.295 19.213 19.000 -0.136 0.000 1.031 75 A HN 0.964 nan 8.150 nan 0.000 0.494 76 L N 2.184 123.380 121.223 -0.045 0.000 2.187 76 L HA -0.249 3.877 4.340 -0.356 0.000 0.213 76 L C 2.726 179.618 176.870 0.035 0.000 1.100 76 L CA 1.508 56.353 54.840 0.008 0.000 0.765 76 L CB -0.403 41.669 42.059 0.023 0.000 0.904 76 L HN 0.856 nan 8.230 nan 0.000 0.437 77 A N -1.799 121.037 122.820 0.027 0.000 2.172 77 A HA -0.154 3.953 4.320 -0.356 0.000 0.216 77 A C 1.107 178.717 177.584 0.043 0.000 1.154 77 A CA 0.181 52.242 52.037 0.040 0.000 0.701 77 A CB -0.788 18.235 19.000 0.037 0.000 0.789 77 A HN 0.380 nan 8.150 nan 0.000 0.465 78 H N 0.713 119.761 119.070 -0.037 0.000 3.140 78 H HA 0.006 4.349 4.556 -0.354 0.000 0.316 78 H C -1.701 173.616 175.328 -0.019 0.000 0.986 78 H CA -0.860 55.167 56.048 -0.035 0.000 1.397 78 H CB 0.876 30.612 29.762 -0.044 0.000 1.377 78 H HN 0.058 nan 8.280 nan 0.000 0.585 79 P HA -0.122 nan 4.420 nan 0.000 0.218 79 P C 1.502 178.877 177.300 0.124 0.000 1.148 79 P CA 1.388 64.492 63.100 0.007 0.000 0.822 79 P CB 0.301 31.951 31.700 -0.084 0.000 0.784 80 S N -0.958 114.924 115.700 0.303 0.000 2.383 80 S HA -0.080 4.176 4.470 -0.356 0.000 0.227 80 S C 1.682 176.337 174.600 0.092 0.000 1.026 80 S CA 1.027 59.328 58.200 0.168 0.000 0.981 80 S CB -0.857 62.420 63.200 0.128 0.000 0.818 80 S HN 0.042 nan 8.310 nan 0.000 0.472 81 L N 1.059 122.346 121.223 0.106 0.000 2.109 81 L HA 0.091 4.217 4.340 -0.356 0.000 0.207 81 L C 2.557 179.457 176.870 0.049 0.000 1.086 81 L CA 1.202 56.068 54.840 0.044 0.000 0.760 81 L CB -1.096 40.980 42.059 0.029 0.000 0.910 81 L HN 0.226 nan 8.230 nan 0.000 0.437 82 S N -0.726 115.014 115.700 0.066 0.000 2.359 82 S HA -0.239 4.018 4.470 -0.356 0.000 0.224 82 S C 2.199 176.821 174.600 0.037 0.000 1.035 82 S CA 1.349 59.578 58.200 0.047 0.000 1.018 82 S CB -0.225 63.003 63.200 0.046 0.000 0.876 82 S HN 0.458 nan 8.310 nan 0.000 0.448 83 A N 1.269 124.113 122.820 0.040 0.000 1.883 83 A HA 0.105 4.211 4.320 -0.356 0.000 0.217 83 A C 2.443 180.041 177.584 0.025 0.000 1.186 83 A CA 2.012 54.067 52.037 0.029 0.000 0.624 83 A CB -1.382 17.636 19.000 0.030 0.000 0.822 83 A HN 0.717 nan 8.150 nan 0.000 0.444 84 A N -0.204 122.631 122.820 0.025 0.000 1.902 84 A HA 0.150 4.256 4.320 -0.356 0.000 0.217 84 A C 2.526 180.122 177.584 0.020 0.000 1.181 84 A CA 2.197 54.246 52.037 0.020 0.000 0.623 84 A CB -1.072 17.938 19.000 0.016 0.000 0.818 84 A HN 1.090 nan 8.150 nan 0.000 0.443 85 A N 0.112 122.945 122.820 0.023 0.000 1.883 85 A HA -0.216 3.890 4.320 -0.356 0.000 0.217 85 A C 1.776 179.373 177.584 0.021 0.000 1.186 85 A CA 1.922 53.973 52.037 0.023 0.000 0.624 85 A CB -0.696 18.319 19.000 0.025 0.000 0.822 85 A HN 0.461 nan 8.150 nan 0.000 0.444 86 D N 0.103 120.515 120.400 0.021 0.000 2.182 86 D HA -0.095 4.332 4.640 -0.356 0.000 0.201 86 D C 1.961 178.271 176.300 0.016 0.000 0.986 86 D CA 1.503 55.513 54.000 0.018 0.000 0.847 86 D CB -0.348 40.463 40.800 0.018 0.000 0.942 86 D HN 0.458 nan 8.370 nan 0.000 0.467 87 A N -0.252 122.578 122.820 0.017 0.000 2.239 87 A HA 0.316 4.423 4.320 -0.356 0.000 0.209 87 A C 1.764 179.358 177.584 0.015 0.000 1.171 87 A CA 1.202 53.248 52.037 0.015 0.000 0.768 87 A CB -0.319 18.690 19.000 0.015 0.000 0.790 87 A HN 0.273 nan 8.150 nan 0.000 0.478 88 G N -0.991 107.820 108.800 0.017 0.000 2.147 88 G HA2 -0.228 3.518 3.960 -0.356 0.000 0.244 88 G HA3 -0.228 3.518 3.960 -0.356 0.000 0.244 88 G C 0.048 174.959 174.900 0.020 0.000 1.005 88 G CA 0.260 45.371 45.100 0.018 0.000 0.713 88 G HN 0.475 nan 8.290 nan 0.000 0.515 89 I N 0.903 121.484 120.570 0.019 0.000 2.441 89 I HA 0.228 4.184 4.170 -0.356 0.000 0.287 89 I C 0.959 177.090 176.117 0.024 0.000 1.049 89 I CA -0.377 60.935 61.300 0.020 0.000 1.381 89 I CB 1.138 39.147 38.000 0.015 0.000 1.409 89 I HN 0.257 nan 8.210 nan 0.000 0.523 90 E N 6.945 127.163 120.200 0.031 0.000 2.366 90 E HA 0.251 4.387 4.350 -0.356 0.000 0.266 90 E C -1.015 175.607 176.600 0.037 0.000 1.015 90 E CA -0.103 56.322 56.400 0.041 0.000 0.906 90 E CB 0.625 30.361 29.700 0.060 0.000 0.979 90 E HN 0.415 nan 8.360 nan 0.000 0.443 91 I N 5.890 126.482 120.570 0.037 0.000 2.436 91 I HA 0.299 4.256 4.170 -0.356 0.000 0.289 91 I C -0.241 175.900 176.117 0.040 0.000 1.010 91 I CA -0.821 60.497 61.300 0.031 0.000 1.098 91 I CB 1.554 39.568 38.000 0.023 0.000 1.266 91 I HN 0.363 nan 8.210 nan 0.000 0.434 92 V N 2.528 122.467 119.914 0.041 0.000 3.156 92 V HA 1.036 4.943 4.120 -0.356 0.000 0.311 92 V C -0.207 175.905 176.094 0.030 0.000 1.208 92 V CA -0.465 61.862 62.300 0.044 0.000 1.063 92 V CB 1.587 33.448 31.823 0.064 0.000 1.098 92 V HN 0.731 nan 8.190 nan 0.000 0.452 93 G N -0.285 108.528 108.800 0.021 0.000 3.042 93 G HA2 0.498 4.245 3.960 -0.356 0.000 0.278 93 G HA3 0.498 4.245 3.960 -0.356 0.000 0.278 93 G C 0.132 175.017 174.900 -0.025 0.000 1.371 93 G CA 0.273 45.378 45.100 0.008 0.000 1.009 93 G HN 0.981 nan 8.290 nan 0.000 0.523 94 D N -0.616 119.758 120.400 -0.042 0.000 2.144 94 D HA -0.164 4.262 4.640 -0.356 0.000 0.199 94 D C 2.079 178.320 176.300 -0.099 0.000 0.984 94 D CA 0.855 54.793 54.000 -0.104 0.000 0.834 94 D CB -0.029 40.718 40.800 -0.089 0.000 0.955 94 D HN 0.156 nan 8.370 nan 0.000 0.465 95 I N 1.099 121.636 120.570 -0.055 0.000 2.315 95 I HA -0.168 3.788 4.170 -0.356 0.000 0.248 95 I C 2.485 178.621 176.117 0.032 0.000 1.117 95 I CA 0.933 62.218 61.300 -0.026 0.000 1.404 95 I CB -1.275 36.702 38.000 -0.039 0.000 1.071 95 I HN 0.069 nan 8.210 nan 0.000 0.419 96 E N 1.637 121.843 120.200 0.010 0.000 2.058 96 E HA -0.194 3.943 4.350 -0.356 0.000 0.194 96 E C 2.284 178.888 176.600 0.005 0.000 0.997 96 E CA 1.454 57.868 56.400 0.025 0.000 0.801 96 E CB -0.427 29.294 29.700 0.034 0.000 0.746 96 E HN 0.464 nan 8.360 nan 0.000 0.450 97 L N -0.427 120.748 121.223 -0.079 0.000 2.046 97 L HA -0.124 4.003 4.340 -0.356 0.000 0.208 97 L C 2.422 179.157 176.870 -0.225 0.000 1.077 97 L CA 1.389 56.097 54.840 -0.220 0.000 0.747 97 L CB -0.577 41.106 42.059 -0.628 0.000 0.896 97 L HN 0.191 nan 8.230 nan 0.000 0.432 98 F N 0.308 120.066 119.950 -0.320 0.000 2.102 98 F HA -0.270 4.046 4.527 -0.351 0.000 0.298 98 F C 2.561 178.262 175.800 -0.166 0.000 1.105 98 F CA 1.657 59.497 58.000 -0.265 0.000 1.239 98 F CB -0.471 38.369 39.000 -0.266 0.000 0.991 98 F HN 0.042 nan 8.300 nan 0.000 0.474 99 C N 0.874 120.184 119.300 0.017 0.000 2.425 99 C HA -0.137 4.109 4.460 -0.356 0.000 0.277 99 C C 2.683 177.617 174.990 -0.093 0.000 1.280 99 C CA 1.099 60.101 59.018 -0.027 0.000 1.744 99 C CB -1.418 26.363 27.740 0.068 0.000 1.989 99 C HN 0.437 nan 8.230 nan 0.000 0.491 100 R N 0.567 121.038 120.500 -0.048 0.000 2.237 100 R HA -0.060 4.066 4.340 -0.356 0.000 0.219 100 R C 1.766 178.044 176.300 -0.037 0.000 1.080 100 R CA 0.852 56.948 56.100 -0.008 0.000 0.995 100 R CB -0.069 30.275 30.300 0.074 0.000 0.875 100 R HN 0.608 nan 8.270 nan 0.000 0.462 101 E N 0.089 120.217 120.200 -0.119 0.000 2.330 101 E HA 0.153 4.289 4.350 -0.356 0.000 0.200 101 E C 0.367 176.827 176.600 -0.233 0.000 0.922 101 E CA 0.138 56.468 56.400 -0.118 0.000 0.935 101 E CB 0.165 29.847 29.700 -0.030 0.000 0.917 101 E HN 0.159 nan 8.360 nan 0.000 0.491 102 A N 2.185 124.716 122.820 -0.482 0.000 2.565 102 A HA -0.003 4.103 4.320 -0.356 0.000 0.237 102 A C 0.717 178.239 177.584 -0.102 0.000 1.053 102 A CA 0.458 52.206 52.037 -0.482 0.000 0.755 102 A CB 0.206 18.729 19.000 -0.796 0.000 0.980 102 A HN -0.033 nan 8.150 nan 0.000 0.506 103 Q N 0.008 119.840 119.800 0.052 0.000 2.135 103 Q HA 0.416 4.543 4.340 -0.356 0.000 0.231 103 Q C -0.162 175.891 176.000 0.089 0.000 0.817 103 Q CA 0.598 56.436 55.803 0.057 0.000 1.073 103 Q CB 0.705 29.463 28.738 0.033 0.000 1.176 103 Q HN 0.864 nan 8.270 nan 0.000 0.478 104 A N 1.114 124.038 122.820 0.174 0.000 2.469 104 A HA 0.798 4.905 4.320 -0.356 0.000 0.299 104 A C -2.634 175.054 177.584 0.173 0.000 1.098 104 A CA -1.596 50.501 52.037 0.100 0.000 0.737 104 A CB 0.964 19.913 19.000 -0.084 0.000 1.312 104 A HN -0.097 nan 8.150 nan 0.000 0.414 105 P HA 0.295 nan 4.420 nan 0.000 0.266 105 P C -0.967 176.449 177.300 0.194 0.000 1.193 105 P CA 0.506 63.676 63.100 0.117 0.000 0.770 105 P CB 0.252 31.991 31.700 0.065 0.000 0.836 106 I N 1.651 122.333 120.570 0.186 0.000 2.406 106 I HA 0.240 4.197 4.170 -0.356 0.000 0.290 106 I C -0.398 175.793 176.117 0.123 0.000 0.999 106 I CA -1.018 60.409 61.300 0.211 0.000 1.124 106 I CB 1.946 40.081 38.000 0.225 0.000 1.289 106 I HN -0.049 nan 8.210 nan 0.000 0.441 107 V N 5.610 125.584 119.914 0.101 0.000 2.407 107 V HA 0.642 4.549 4.120 -0.356 0.000 0.278 107 V C 0.331 176.450 176.094 0.041 0.000 1.037 107 V CA -0.368 61.964 62.300 0.054 0.000 0.900 107 V CB 1.302 33.141 31.823 0.026 0.000 0.983 107 V HN 0.824 nan 8.190 nan 0.000 0.459 108 A N 6.653 129.491 122.820 0.030 0.000 2.331 108 A HA 0.915 5.021 4.320 -0.356 0.000 0.320 108 A C -0.891 176.685 177.584 -0.013 0.000 1.138 108 A CA -0.477 51.563 52.037 0.005 0.000 0.790 108 A CB 0.777 19.781 19.000 0.008 0.000 1.206 108 A HN 0.751 nan 8.150 nan 0.000 0.470 109 I N 1.575 122.125 120.570 -0.032 0.000 2.478 109 I HA 0.527 4.484 4.170 -0.356 0.000 0.287 109 I C 0.225 176.312 176.117 -0.051 0.000 1.042 109 I CA -0.043 61.234 61.300 -0.038 0.000 1.067 109 I CB 2.493 40.467 38.000 -0.043 0.000 1.233 109 I HN 0.665 nan 8.210 nan 0.000 0.431 110 T N 3.310 117.826 114.554 -0.064 0.000 2.742 110 T HA 0.967 5.104 4.350 -0.356 0.000 0.282 110 T C -0.692 173.976 174.700 -0.052 0.000 1.025 110 T CA -0.250 61.806 62.100 -0.072 0.000 1.020 110 T CB 1.946 70.743 68.868 -0.119 0.000 1.317 110 T HN 1.034 nan 8.240 nan 0.000 0.538 111 G N 0.248 109.017 108.800 -0.051 0.000 2.333 111 G HA2 0.236 3.983 3.960 -0.356 0.000 0.330 111 G HA3 0.236 3.983 3.960 -0.356 0.000 0.330 111 G C 0.404 175.321 174.900 0.027 0.000 1.465 111 G CA 0.268 45.355 45.100 -0.020 0.000 0.996 111 G HN 0.641 nan 8.290 nan 0.000 0.655 112 S N -0.414 115.322 115.700 0.059 0.000 2.414 112 S HA 0.082 4.338 4.470 -0.356 0.000 0.227 112 S C 0.846 175.488 174.600 0.069 0.000 1.022 112 S CA 1.479 59.751 58.200 0.120 0.000 0.958 112 S CB -0.061 63.231 63.200 0.154 0.000 0.797 112 S HN 0.784 nan 8.310 nan 0.000 0.493 113 N N -1.588 117.156 118.700 0.072 0.000 2.277 113 N HA 0.499 5.025 4.740 -0.356 0.000 0.286 113 N C 0.224 175.811 175.510 0.129 0.000 1.140 113 N CA 0.489 53.588 53.050 0.082 0.000 0.799 113 N CB 1.547 40.078 38.487 0.074 0.000 1.596 113 N HN 0.117 nan 8.380 nan 0.000 0.473 114 G N 1.858 110.739 108.800 0.135 0.000 2.199 114 G HA2 -0.351 3.395 3.960 -0.356 0.000 0.254 114 G HA3 -0.351 3.395 3.960 -0.356 0.000 0.254 114 G C 0.945 175.849 174.900 0.007 0.000 0.982 114 G CA 0.986 46.135 45.100 0.081 0.000 0.632 114 G HN 0.752 nan 8.290 nan 0.000 0.529 115 K N 0.406 120.814 120.400 0.012 0.000 2.097 115 K HA 0.090 4.196 4.320 -0.356 0.000 0.206 115 K C 2.284 178.876 176.600 -0.014 0.000 1.049 115 K CA 1.901 58.181 56.287 -0.012 0.000 0.933 115 K CB -0.366 32.130 32.500 -0.007 0.000 0.717 115 K HN 0.282 nan 8.250 nan 0.000 0.442 116 S N 0.910 116.617 115.700 0.011 0.000 2.387 116 S HA -0.068 4.188 4.470 -0.356 0.000 0.226 116 S C 1.944 176.558 174.600 0.022 0.000 1.026 116 S CA 1.488 59.706 58.200 0.030 0.000 0.972 116 S CB -0.307 62.935 63.200 0.070 0.000 0.814 116 S HN 0.426 nan 8.310 nan 0.000 0.477 117 T N 2.330 116.903 114.554 0.031 0.000 2.708 117 T HA -0.058 4.078 4.350 -0.356 0.000 0.266 117 T C 1.965 176.583 174.700 -0.137 0.000 1.037 117 T CA 1.273 63.383 62.100 0.018 0.000 1.146 117 T CB -0.451 68.460 68.868 0.072 0.000 0.865 117 T HN 0.175 nan 8.240 nan 0.000 0.435 118 V N 1.542 121.379 119.914 -0.128 0.000 2.343 118 V HA -0.184 3.723 4.120 -0.356 0.000 0.247 118 V C 2.796 178.790 176.094 -0.166 0.000 1.051 118 V CA 1.981 64.175 62.300 -0.176 0.000 1.036 118 V CB -1.168 30.552 31.823 -0.172 0.000 0.654 118 V HN 0.532 nan 8.190 nan 0.000 0.451 119 T N -0.315 114.172 114.554 -0.112 0.000 2.684 119 T HA -0.211 3.926 4.350 -0.356 0.000 0.267 119 T C 1.962 176.592 174.700 -0.116 0.000 1.036 119 T CA 2.226 64.273 62.100 -0.088 0.000 1.148 119 T CB -0.407 68.434 68.868 -0.046 0.000 0.863 119 T HN 0.552 nan 8.240 nan 0.000 0.436 120 T N 2.261 116.730 114.554 -0.142 0.000 2.777 120 T HA 0.087 4.223 4.350 -0.356 0.000 0.266 120 T C 2.013 176.488 174.700 -0.374 0.000 1.040 120 T CA 0.702 62.691 62.100 -0.185 0.000 1.141 120 T CB -0.432 68.379 68.868 -0.094 0.000 0.868 120 T HN 0.207 nan 8.240 nan 0.000 0.444 121 L N 0.773 121.666 121.223 -0.550 0.000 1.989 121 L HA -0.133 3.994 4.340 -0.356 0.000 0.211 121 L C 2.675 179.377 176.870 -0.280 0.000 1.071 121 L CA 1.189 55.701 54.840 -0.546 0.000 0.749 121 L CB -0.672 41.111 42.059 -0.460 0.000 0.890 121 L HN 0.153 nan 8.230 nan 0.000 0.431 122 V N 0.028 119.820 119.914 -0.204 0.000 2.332 122 V HA -0.251 3.656 4.120 -0.356 0.000 0.248 122 V C 2.622 178.660 176.094 -0.094 0.000 1.055 122 V CA 1.972 64.196 62.300 -0.127 0.000 1.038 122 V CB -1.428 30.335 31.823 -0.100 0.000 0.651 122 V HN 0.616 nan 8.190 nan 0.000 0.450 123 G N -0.235 108.509 108.800 -0.093 0.000 2.476 123 G HA2 -0.266 3.481 3.960 -0.356 0.000 0.218 123 G HA3 -0.266 3.481 3.960 -0.356 0.000 0.218 123 G C 1.479 176.348 174.900 -0.051 0.000 1.164 123 G CA 0.904 45.970 45.100 -0.057 0.000 0.768 123 G HN 0.491 nan 8.290 nan 0.000 0.560 124 E N 0.163 120.316 120.200 -0.080 0.000 2.106 124 E HA -0.034 4.103 4.350 -0.356 0.000 0.192 124 E C 2.646 179.227 176.600 -0.033 0.000 0.984 124 E CA 0.606 56.981 56.400 -0.040 0.000 0.806 124 E CB -0.359 29.315 29.700 -0.042 0.000 0.750 124 E HN 0.507 nan 8.360 nan 0.000 0.458 125 M N 0.294 119.860 119.600 -0.057 0.000 2.080 125 M HA -0.164 4.103 4.480 -0.356 0.000 0.260 125 M C 2.390 178.675 176.300 -0.024 0.000 1.068 125 M CA 1.798 57.076 55.300 -0.037 0.000 1.109 125 M CB -0.342 32.228 32.600 -0.050 0.000 1.342 125 M HN 0.068 nan 8.290 nan 0.000 0.405 126 A N 0.311 123.114 122.820 -0.029 0.000 1.933 126 A HA -0.175 3.932 4.320 -0.356 0.000 0.218 126 A C 2.091 179.666 177.584 -0.015 0.000 1.175 126 A CA 1.736 53.760 52.037 -0.022 0.000 0.628 126 A CB -0.507 18.477 19.000 -0.027 0.000 0.814 126 A HN 0.425 nan 8.150 nan 0.000 0.444 127 K N -0.337 120.056 120.400 -0.012 0.000 2.057 127 K HA -0.031 4.076 4.320 -0.356 0.000 0.207 127 K C 2.230 178.831 176.600 0.002 0.000 1.049 127 K CA 1.080 57.366 56.287 -0.002 0.000 0.931 127 K CB -0.310 32.194 32.500 0.007 0.000 0.714 127 K HN 0.431 nan 8.250 nan 0.000 0.440 128 A N 1.162 123.985 122.820 0.004 0.000 2.019 128 A HA -0.086 4.020 4.320 -0.356 0.000 0.219 128 A C 2.147 179.733 177.584 0.004 0.000 1.164 128 A CA 1.744 53.785 52.037 0.007 0.000 0.644 128 A CB -0.473 18.533 19.000 0.010 0.000 0.805 128 A HN 0.331 nan 8.150 nan 0.000 0.449 129 A N -1.701 121.119 122.820 -0.001 0.000 2.238 129 A HA 0.414 4.521 4.320 -0.356 0.000 0.208 129 A C 1.753 179.335 177.584 -0.003 0.000 1.177 129 A CA 1.111 53.148 52.037 -0.001 0.000 0.804 129 A CB -0.962 18.036 19.000 -0.003 0.000 0.823 129 A HN 1.848 nan 8.150 nan 0.000 0.482 130 G N -1.030 107.768 108.800 -0.003 0.000 2.160 130 G HA2 -0.203 3.543 3.960 -0.356 0.000 0.251 130 G HA3 -0.203 3.543 3.960 -0.356 0.000 0.251 130 G C 0.147 175.041 174.900 -0.010 0.000 1.008 130 G CA 0.246 45.344 45.100 -0.004 0.000 0.724 130 G HN 0.775 nan 8.290 nan 0.000 0.514 131 V N 0.949 120.854 119.914 -0.015 0.000 2.530 131 V HA 0.222 4.128 4.120 -0.356 0.000 0.282 131 V C 1.043 177.118 176.094 -0.032 0.000 1.048 131 V CA -0.632 61.653 62.300 -0.025 0.000 0.997 131 V CB 1.636 33.442 31.823 -0.029 0.000 0.987 131 V HN 0.437 nan 8.190 nan 0.000 0.477 132 N N 3.808 122.483 118.700 -0.041 0.000 2.421 132 N HA 0.140 4.667 4.740 -0.356 0.000 0.260 132 N C -0.812 174.649 175.510 -0.081 0.000 1.173 132 N CA 0.032 53.054 53.050 -0.047 0.000 0.960 132 N CB 1.123 39.583 38.487 -0.044 0.000 1.273 132 N HN 0.502 nan 8.380 nan 0.000 0.497 133 V N 2.566 122.443 119.914 -0.062 0.000 2.547 133 V HA 0.743 4.650 4.120 -0.356 0.000 0.299 133 V C 0.177 176.247 176.094 -0.041 0.000 1.040 133 V CA -0.505 61.748 62.300 -0.078 0.000 0.913 133 V CB 1.622 33.419 31.823 -0.043 0.000 0.992 133 V HN 0.582 nan 8.190 nan 0.000 0.449 134 G N 4.993 113.774 108.800 -0.031 0.000 2.422 134 G HA2 0.595 4.341 3.960 -0.356 0.000 0.317 134 G HA3 0.595 4.341 3.960 -0.356 0.000 0.317 134 G C -1.317 173.671 174.900 0.148 0.000 1.210 134 G CA -0.363 44.805 45.100 0.115 0.000 0.930 134 G HN 0.804 nan 8.290 nan 0.000 0.468 135 V N 2.050 122.016 119.914 0.086 0.000 2.448 135 V HA 0.962 4.869 4.120 -0.356 0.000 0.295 135 V C 0.712 176.822 176.094 0.027 0.000 1.025 135 V CA 0.604 62.933 62.300 0.049 0.000 0.859 135 V CB 0.913 32.752 31.823 0.026 0.000 0.988 135 V HN 1.261 nan 8.190 nan 0.000 0.431 136 G N 2.296 111.089 108.800 -0.011 0.000 2.498 136 G HA2 0.683 4.429 3.960 -0.356 0.000 0.181 136 G HA3 0.683 4.429 3.960 -0.356 0.000 0.181 136 G C 0.124 174.974 174.900 -0.083 0.000 1.169 136 G CA 0.460 45.539 45.100 -0.034 0.000 0.992 136 G HN 1.688 nan 8.290 nan 0.000 0.490 137 G N 0.269 109.000 108.800 -0.115 0.000 2.846 137 G HA2 -0.130 3.616 3.960 -0.356 0.000 0.225 137 G HA3 -0.130 3.616 3.960 -0.356 0.000 0.225 137 G C 0.870 175.733 174.900 -0.061 0.000 1.285 137 G CA 0.971 45.987 45.100 -0.140 0.000 1.055 137 G HN 1.610 nan 8.290 nan 0.000 0.579 138 N N 0.846 119.527 118.700 -0.032 0.000 2.550 138 N HA 0.172 4.699 4.740 -0.356 0.000 0.186 138 N C 0.787 176.330 175.510 0.055 0.000 1.110 138 N CA 1.090 54.150 53.050 0.017 0.000 0.912 138 N CB 0.028 38.527 38.487 0.020 0.000 0.968 138 N HN 0.603 nan 8.380 nan 0.000 0.448 139 I N -1.197 119.399 120.570 0.043 0.000 2.646 139 I HA 0.440 4.396 4.170 -0.356 0.000 0.299 139 I C 0.911 177.059 176.117 0.052 0.000 1.036 139 I CA -0.072 61.275 61.300 0.078 0.000 1.074 139 I CB 1.208 39.259 38.000 0.086 0.000 1.258 139 I HN 0.320 nan 8.210 nan 0.000 0.430 140 G N 6.216 115.056 108.800 0.066 0.000 2.574 140 G HA2 -0.276 3.471 3.960 -0.356 0.000 0.286 140 G HA3 -0.276 3.471 3.960 -0.356 0.000 0.286 140 G C -0.224 174.692 174.900 0.026 0.000 1.212 140 G CA -0.017 45.111 45.100 0.047 0.000 0.979 140 G HN 0.675 nan 8.290 nan 0.000 0.557 141 L N 2.571 123.805 121.223 0.019 0.000 2.416 141 L HA 0.297 4.424 4.340 -0.356 0.000 0.272 141 L C -1.698 175.159 176.870 -0.021 0.000 1.161 141 L CA -1.455 53.390 54.840 0.009 0.000 0.845 141 L CB 0.761 42.832 42.059 0.020 0.000 1.119 141 L HN 0.285 nan 8.230 nan 0.000 0.464 142 P HA -0.031 nan 4.420 nan 0.000 0.266 142 P C 0.182 177.418 177.300 -0.105 0.000 1.195 142 P CA 0.047 63.113 63.100 -0.057 0.000 0.768 142 P CB 0.831 32.513 31.700 -0.029 0.000 0.838 143 A N 3.659 126.347 122.820 -0.219 0.000 1.927 143 A HA -0.215 3.891 4.320 -0.356 0.000 0.220 143 A C 1.946 179.399 177.584 -0.219 0.000 1.185 143 A CA 1.789 53.549 52.037 -0.462 0.000 0.639 143 A CB -1.593 16.904 19.000 -0.838 0.000 0.820 143 A HN 0.580 nan 8.150 nan 0.000 0.451 144 L N -1.237 119.953 121.223 -0.056 0.000 2.265 144 L HA -0.154 3.973 4.340 -0.356 0.000 0.215 144 L C 2.577 179.519 176.870 0.120 0.000 1.117 144 L CA 1.081 55.970 54.840 0.082 0.000 0.782 144 L CB -0.424 41.610 42.059 -0.042 0.000 0.914 144 L HN 0.445 nan 8.230 nan 0.000 0.441 145 M N -0.896 118.745 119.600 0.069 0.000 2.562 145 M HA -0.095 4.171 4.480 -0.356 0.000 0.257 145 M C 1.829 178.201 176.300 0.120 0.000 1.099 145 M CA 1.145 56.496 55.300 0.085 0.000 1.099 145 M CB -0.046 32.587 32.600 0.054 0.000 1.427 145 M HN 0.270 nan 8.290 nan 0.000 0.489 146 L N -0.251 121.061 121.223 0.148 0.000 2.375 146 L HA 0.102 4.228 4.340 -0.356 0.000 0.215 146 L C 0.924 178.034 176.870 0.399 0.000 1.108 146 L CA -0.111 54.881 54.840 0.254 0.000 0.830 146 L CB -0.169 42.043 42.059 0.256 0.000 0.959 146 L HN 0.235 nan 8.230 nan 0.000 0.457 147 L N 1.955 123.390 121.223 0.354 0.000 2.534 147 L HA 0.010 4.137 4.340 -0.356 0.000 0.271 147 L C -0.465 176.550 176.870 0.241 0.000 1.178 147 L CA 0.733 55.750 54.840 0.295 0.000 0.907 147 L CB 0.150 42.299 42.059 0.151 0.000 1.164 147 L HN 0.117 nan 8.230 nan 0.000 0.482 148 D N 2.368 122.932 120.400 0.273 0.000 2.726 148 D HA 0.020 4.447 4.640 -0.356 0.000 0.203 148 D C 0.016 176.393 176.300 0.129 0.000 1.297 148 D CA -0.489 53.611 54.000 0.165 0.000 0.863 148 D CB 1.429 42.316 40.800 0.144 0.000 1.669 148 D HN 0.403 nan 8.370 nan 0.000 0.561 149 D N 1.245 121.690 120.400 0.076 0.000 2.271 149 D HA -0.141 4.286 4.640 -0.356 0.000 0.207 149 D C 1.302 177.615 176.300 0.022 0.000 0.983 149 D CA 0.977 55.004 54.000 0.045 0.000 0.878 149 D CB 0.523 41.340 40.800 0.028 0.000 0.920 149 D HN 0.459 nan 8.370 nan 0.000 0.479 150 E N -0.420 119.791 120.200 0.017 0.000 2.442 150 E HA -0.018 4.118 4.350 -0.356 0.000 0.195 150 E C 0.495 177.072 176.600 -0.039 0.000 1.030 150 E CA -0.125 56.272 56.400 -0.005 0.000 0.869 150 E CB -0.039 29.663 29.700 0.004 0.000 0.857 150 E HN 0.164 nan 8.360 nan 0.000 0.505 151 C N 1.612 120.874 119.300 -0.064 0.000 2.648 151 C HA 0.051 4.298 4.460 -0.356 0.000 0.419 151 C C 1.563 176.414 174.990 -0.233 0.000 1.352 151 C CA 0.025 58.923 59.018 -0.200 0.000 1.816 151 C CB -0.245 27.265 27.740 -0.383 0.000 2.598 151 C HN 0.357 nan 8.230 nan 0.000 0.598 152 E N 2.233 122.306 120.200 -0.212 0.000 2.431 152 E HA 0.239 4.376 4.350 -0.356 0.000 0.200 152 E C -0.509 175.992 176.600 -0.164 0.000 0.995 152 E CA 0.107 56.420 56.400 -0.146 0.000 0.915 152 E CB 0.471 30.121 29.700 -0.084 0.000 0.930 152 E HN 0.560 nan 8.360 nan 0.000 0.496 153 L N -0.165 120.900 121.223 -0.264 0.000 2.591 153 L HA 0.336 4.463 4.340 -0.356 0.000 0.257 153 L C -2.101 174.595 176.870 -0.290 0.000 0.935 153 L CA -0.752 53.974 54.840 -0.190 0.000 0.873 153 L CB 1.267 43.281 42.059 -0.075 0.000 1.397 153 L HN -0.195 nan 8.230 nan 0.000 0.414 154 Y N 3.320 123.672 120.300 0.087 0.000 2.377 154 Y HA 0.736 5.074 4.550 -0.353 0.000 0.339 154 Y C -0.364 175.563 175.900 0.044 0.000 1.011 154 Y CA -0.857 57.303 58.100 0.100 0.000 1.093 154 Y CB 2.204 40.803 38.460 0.232 0.000 1.201 154 Y HN 0.287 nan 8.280 nan 0.000 0.455 155 V N 5.633 125.647 119.914 0.167 0.000 2.376 155 V HA 0.432 4.338 4.120 -0.356 0.000 0.287 155 V C -0.601 175.505 176.094 0.020 0.000 1.015 155 V CA -0.828 61.511 62.300 0.065 0.000 0.834 155 V CB 1.167 33.001 31.823 0.017 0.000 1.001 155 V HN 0.571 nan 8.190 nan 0.000 0.428 156 L N 3.749 124.964 121.223 -0.012 0.000 2.333 156 L HA 0.586 4.713 4.340 -0.356 0.000 0.280 156 L C 0.164 177.000 176.870 -0.058 0.000 1.004 156 L CA -0.481 54.314 54.840 -0.075 0.000 0.820 156 L CB 2.275 44.245 42.059 -0.148 0.000 1.247 156 L HN 0.638 nan 8.230 nan 0.000 0.416 157 E N 4.235 124.402 120.200 -0.054 0.000 2.290 157 E HA 0.389 4.526 4.350 -0.356 0.000 0.277 157 E C -1.393 175.176 176.600 -0.051 0.000 1.035 157 E CA -0.396 55.979 56.400 -0.041 0.000 0.873 157 E CB 0.827 30.517 29.700 -0.017 0.000 1.029 157 E HN 0.473 nan 8.360 nan 0.000 0.419 158 L N 4.330 125.523 121.223 -0.051 0.000 2.349 158 L HA 0.289 4.415 4.340 -0.356 0.000 0.278 158 L C 0.230 177.069 176.870 -0.052 0.000 0.996 158 L CA -0.875 53.933 54.840 -0.054 0.000 0.825 158 L CB 1.761 43.784 42.059 -0.060 0.000 1.243 158 L HN 0.581 nan 8.230 nan 0.000 0.412 159 S N 0.433 116.106 115.700 -0.046 0.000 2.614 159 S HA 0.121 4.378 4.470 -0.356 0.000 0.265 159 S C 1.295 175.831 174.600 -0.106 0.000 1.303 159 S CA -0.080 58.064 58.200 -0.093 0.000 1.000 159 S CB 1.561 64.687 63.200 -0.123 0.000 0.935 159 S HN 0.740 nan 8.310 nan 0.000 0.551 160 S N 1.055 116.644 115.700 -0.186 0.000 2.383 160 S HA -0.146 4.110 4.470 -0.356 0.000 0.229 160 S C 1.434 176.090 174.600 0.093 0.000 1.030 160 S CA 1.009 59.163 58.200 -0.078 0.000 1.002 160 S CB -1.010 62.192 63.200 0.004 0.000 0.829 160 S HN 0.663 nan 8.310 nan 0.000 0.467 161 F N 2.192 122.177 119.950 0.058 0.000 2.146 161 F HA 0.075 4.387 4.527 -0.357 0.000 0.298 161 F C 2.884 178.693 175.800 0.015 0.000 1.096 161 F CA 0.631 58.648 58.000 0.027 0.000 1.275 161 F CB -1.372 37.600 39.000 -0.046 0.000 1.008 161 F HN 0.270 nan 8.300 nan 0.000 0.480 162 Q N 0.091 119.994 119.800 0.171 0.000 2.084 162 Q HA -0.168 3.959 4.340 -0.356 0.000 0.202 162 Q C 2.352 178.388 176.000 0.059 0.000 0.978 162 Q CA 1.371 57.224 55.803 0.083 0.000 0.844 162 Q CB -0.426 28.329 28.738 0.029 0.000 0.898 162 Q HN 0.412 nan 8.270 nan 0.000 0.426 163 L N 0.618 121.869 121.223 0.047 0.000 2.083 163 L HA -0.204 3.923 4.340 -0.356 0.000 0.209 163 L C 2.117 179.019 176.870 0.054 0.000 1.083 163 L CA 1.123 55.978 54.840 0.025 0.000 0.752 163 L CB -0.381 41.667 42.059 -0.019 0.000 0.899 163 L HN 0.257 nan 8.230 nan 0.000 0.433 164 E N -0.431 119.833 120.200 0.107 0.000 2.171 164 E HA -0.220 3.916 4.350 -0.356 0.000 0.197 164 E C 1.628 178.275 176.600 0.079 0.000 0.997 164 E CA 1.804 58.274 56.400 0.116 0.000 0.810 164 E CB -0.131 29.676 29.700 0.178 0.000 0.738 164 E HN 0.579 nan 8.360 nan 0.000 0.467 165 T N -1.997 112.598 114.554 0.069 0.000 3.145 165 T HA 0.122 4.258 4.350 -0.356 0.000 0.255 165 T C 0.347 175.073 174.700 0.042 0.000 1.039 165 T CA -0.393 61.738 62.100 0.051 0.000 0.928 165 T CB 0.476 69.370 68.868 0.044 0.000 1.029 165 T HN -0.194 nan 8.240 nan 0.000 0.554 166 T N 1.731 116.309 114.554 0.039 0.000 2.823 166 T HA 0.551 4.688 4.350 -0.356 0.000 0.279 166 T C 0.783 175.503 174.700 0.034 0.000 0.998 166 T CA -0.507 61.613 62.100 0.034 0.000 0.994 166 T CB 1.834 70.718 68.868 0.026 0.000 0.960 166 T HN 0.302 nan 8.240 nan 0.000 0.448 167 S N 0.014 115.736 115.700 0.037 0.000 2.679 167 S HA 0.123 4.379 4.470 -0.356 0.000 0.258 167 S C 1.154 175.775 174.600 0.036 0.000 1.068 167 S CA -0.439 57.782 58.200 0.035 0.000 1.115 167 S CB 0.283 63.505 63.200 0.037 0.000 1.078 167 S HN 0.396 nan 8.310 nan 0.000 0.603 168 S N 1.720 117.444 115.700 0.039 0.000 2.572 168 S HA 0.404 4.660 4.470 -0.356 0.000 0.228 168 S C -0.037 174.588 174.600 0.041 0.000 0.963 168 S CA -0.475 57.747 58.200 0.038 0.000 0.939 168 S CB -0.003 63.219 63.200 0.038 0.000 0.804 168 S HN 0.521 nan 8.310 nan 0.000 0.480 169 L N 3.051 124.300 121.223 0.045 0.000 2.410 169 L HA 0.252 4.378 4.340 -0.356 0.000 0.273 169 L C -0.200 176.701 176.870 0.051 0.000 1.152 169 L CA 0.828 55.700 54.840 0.053 0.000 0.855 169 L CB 0.399 42.486 42.059 0.048 0.000 1.129 169 L HN 0.107 nan 8.230 nan 0.000 0.463 170 Q N 5.662 125.496 119.800 0.056 0.000 2.932 170 Q HA 0.501 4.627 4.340 -0.356 0.000 0.248 170 Q C -0.533 175.506 176.000 0.065 0.000 0.982 170 Q CA -0.586 55.251 55.803 0.055 0.000 0.730 170 Q CB 1.314 30.079 28.738 0.045 0.000 1.249 170 Q HN 0.861 nan 8.270 nan 0.000 0.476 171 A N 1.031 123.893 122.820 0.071 0.000 2.425 171 A HA 0.142 4.248 4.320 -0.356 0.000 0.249 171 A C 1.164 178.790 177.584 0.070 0.000 1.084 171 A CA -0.255 51.828 52.037 0.077 0.000 0.781 171 A CB 0.787 19.832 19.000 0.075 0.000 1.019 171 A HN 0.565 nan 8.150 nan 0.000 0.490 172 V N 1.609 121.564 119.914 0.069 0.000 2.490 172 V HA 0.205 4.112 4.120 -0.356 0.000 0.250 172 V C 1.053 177.178 176.094 0.051 0.000 1.061 172 V CA 2.396 64.729 62.300 0.055 0.000 1.064 172 V CB -0.381 31.473 31.823 0.051 0.000 0.670 172 V HN 1.396 nan 8.190 nan 0.000 0.461 173 A N -1.131 121.723 122.820 0.056 0.000 2.465 173 A HA 0.850 4.957 4.320 -0.356 0.000 0.292 173 A C -0.736 176.890 177.584 0.069 0.000 1.041 173 A CA 0.132 52.201 52.037 0.054 0.000 0.718 173 A CB 1.501 20.517 19.000 0.027 0.000 1.266 173 A HN 0.949 nan 8.150 nan 0.000 0.403 174 A N 1.034 123.922 122.820 0.113 0.000 2.435 174 A HA 0.968 5.074 4.320 -0.356 0.000 0.304 174 A C -0.388 177.339 177.584 0.238 0.000 1.064 174 A CA -0.209 51.912 52.037 0.141 0.000 0.727 174 A CB 1.829 20.928 19.000 0.166 0.000 1.284 174 A HN 1.661 nan 8.150 nan 0.000 0.415 175 T N 1.197 115.845 114.554 0.157 0.000 2.916 175 T HA 0.621 4.758 4.350 -0.356 0.000 0.305 175 T C -1.381 173.349 174.700 0.050 0.000 1.119 175 T CA -0.337 61.896 62.100 0.222 0.000 1.008 175 T CB 0.572 69.542 68.868 0.169 0.000 1.129 175 T HN 0.496 nan 8.240 nan 0.000 0.480 176 I N 5.924 126.550 120.570 0.092 0.000 2.328 176 I HA 0.292 4.249 4.170 -0.356 0.000 0.287 176 I C 1.270 177.463 176.117 0.126 0.000 1.012 176 I CA -0.610 60.685 61.300 -0.008 0.000 1.195 176 I CB 1.555 39.498 38.000 -0.096 0.000 1.350 176 I HN 0.617 nan 8.210 nan 0.000 0.464 177 L N 5.576 126.873 121.223 0.123 0.000 2.141 177 L HA -0.078 4.048 4.340 -0.356 0.000 0.209 177 L C 0.150 177.148 176.870 0.213 0.000 1.094 177 L CA 1.055 56.045 54.840 0.250 0.000 0.763 177 L CB -0.460 41.686 42.059 0.146 0.000 0.908 177 L HN 0.831 nan 8.230 nan 0.000 0.437 178 N N -3.407 115.351 118.700 0.096 0.000 3.545 178 N HA 0.351 4.878 4.740 -0.356 0.000 0.227 178 N C -1.365 174.147 175.510 0.004 0.000 1.380 178 N CA -0.755 52.331 53.050 0.060 0.000 0.892 178 N CB 1.654 40.198 38.487 0.096 0.000 1.441 178 N HN -0.308 nan 8.380 nan 0.000 0.497 179 V N 0.024 119.936 119.914 -0.005 0.000 2.462 179 V HA 0.766 4.673 4.120 -0.356 0.000 0.288 179 V C -0.556 175.571 176.094 0.055 0.000 1.020 179 V CA -0.204 62.072 62.300 -0.040 0.000 0.857 179 V CB 0.785 32.533 31.823 -0.126 0.000 1.013 179 V HN 1.055 nan 8.190 nan 0.000 0.431 180 T N 0.184 114.820 114.554 0.136 0.000 2.906 180 T HA 0.599 4.736 4.350 -0.356 0.000 0.295 180 T C -0.362 174.444 174.700 0.178 0.000 1.075 180 T CA -0.758 61.416 62.100 0.123 0.000 1.005 180 T CB 2.108 71.018 68.868 0.071 0.000 1.136 180 T HN 0.627 nan 8.240 nan 0.000 0.498 181 E N 0.873 121.120 120.200 0.079 0.000 2.585 181 E HA 0.165 4.301 4.350 -0.356 0.000 0.252 181 E C -0.902 175.625 176.600 -0.121 0.000 0.981 181 E CA 0.402 56.800 56.400 -0.003 0.000 0.943 181 E CB 0.209 29.883 29.700 -0.045 0.000 0.923 181 E HN 0.632 nan 8.360 nan 0.000 0.486 182 D N 1.740 121.935 120.400 -0.342 0.000 2.648 182 D HA 0.157 4.583 4.640 -0.356 0.000 0.244 182 D C -0.997 174.920 176.300 -0.637 0.000 1.244 182 D CA -0.248 53.434 54.000 -0.530 0.000 0.772 182 D CB 0.662 41.141 40.800 -0.535 0.000 1.379 182 D HN 0.636 nan 8.370 nan 0.000 0.428 183 H N 1.918 120.852 119.070 -0.227 0.000 2.862 183 H HA -0.146 4.197 4.556 -0.354 0.000 0.290 183 H C 1.226 176.583 175.328 0.048 0.000 1.211 183 H CA 0.756 56.788 56.048 -0.027 0.000 1.140 183 H CB -0.999 28.774 29.762 0.018 0.000 1.341 183 H HN 0.431 nan 8.280 nan 0.000 0.392 184 M N 0.548 120.165 119.600 0.028 0.000 2.374 184 M HA -0.075 4.192 4.480 -0.356 0.000 0.264 184 M C 2.001 178.330 176.300 0.048 0.000 1.067 184 M CA 1.520 56.852 55.300 0.053 0.000 1.103 184 M CB -0.494 32.088 32.600 -0.031 0.000 1.402 184 M HN 0.344 nan 8.290 nan 0.000 0.444 185 D N -0.439 119.981 120.400 0.034 0.000 2.309 185 D HA -0.188 4.238 4.640 -0.356 0.000 0.212 185 D C 1.625 177.907 176.300 -0.029 0.000 0.968 185 D CA 0.933 54.937 54.000 0.007 0.000 0.882 185 D CB -0.278 40.532 40.800 0.017 0.000 0.918 185 D HN 0.246 nan 8.370 nan 0.000 0.503 186 R N -1.126 119.350 120.500 -0.040 0.000 2.446 186 R HA 0.099 4.225 4.340 -0.356 0.000 0.254 186 R C -0.339 175.717 176.300 -0.406 0.000 0.918 186 R CA -0.113 55.836 56.100 -0.251 0.000 1.069 186 R CB 0.442 30.529 30.300 -0.355 0.000 1.194 186 R HN 0.196 nan 8.270 nan 0.000 0.534 187 Y N 1.203 121.581 120.300 0.130 0.000 2.787 187 Y HA 0.301 4.637 4.550 -0.357 0.000 0.352 187 Y C -1.618 174.341 175.900 0.097 0.000 1.027 187 Y CA -2.612 55.586 58.100 0.164 0.000 1.219 187 Y CB 1.437 40.015 38.460 0.198 0.000 1.110 187 Y HN -0.073 nan 8.280 nan 0.000 0.614 188 P HA -0.093 nan 4.420 nan 0.000 0.234 188 P C 0.442 177.582 177.300 -0.266 0.000 1.167 188 P CA 1.146 64.191 63.100 -0.091 0.000 0.763 188 P CB 0.062 31.644 31.700 -0.197 0.000 0.835 189 F N 0.133 120.158 119.950 0.125 0.000 2.645 189 F HA 0.422 4.735 4.527 -0.356 0.000 0.300 189 F C 1.798 177.661 175.800 0.105 0.000 1.115 189 F CA 0.475 58.535 58.000 0.101 0.000 1.355 189 F CB -0.431 38.626 39.000 0.094 0.000 1.026 189 F HN 0.035 nan 8.300 nan 0.000 0.536 190 G N 0.596 109.527 108.800 0.218 0.000 2.642 190 G HA2 -0.331 3.415 3.960 -0.356 0.000 0.231 190 G HA3 -0.331 3.415 3.960 -0.356 0.000 0.231 190 G C 0.498 175.495 174.900 0.162 0.000 1.338 190 G CA -0.119 45.072 45.100 0.151 0.000 0.883 190 G HN 0.253 nan 8.290 nan 0.000 0.570 191 L N -0.149 121.147 121.223 0.121 0.000 2.046 191 L HA 0.004 4.131 4.340 -0.356 0.000 0.208 191 L C 2.940 179.872 176.870 0.103 0.000 1.077 191 L CA 3.061 57.985 54.840 0.139 0.000 0.747 191 L CB -0.475 41.646 42.059 0.103 0.000 0.896 191 L HN 0.616 nan 8.230 nan 0.000 0.432 192 Q N -0.593 119.252 119.800 0.075 0.000 2.167 192 Q HA -0.248 3.878 4.340 -0.356 0.000 0.202 192 Q C 2.117 178.129 176.000 0.020 0.000 0.970 192 Q CA 1.631 57.456 55.803 0.036 0.000 0.855 192 Q CB -0.366 28.398 28.738 0.042 0.000 0.911 192 Q HN 0.713 nan 8.270 nan 0.000 0.438 193 Q N -0.492 119.354 119.800 0.076 0.000 2.079 193 Q HA -0.188 3.939 4.340 -0.356 0.000 0.200 193 Q C 1.918 177.834 176.000 -0.140 0.000 0.974 193 Q CA 1.028 56.874 55.803 0.071 0.000 0.840 193 Q CB -0.136 28.766 28.738 0.274 0.000 0.898 193 Q HN 0.352 nan 8.270 nan 0.000 0.430 194 Y N 1.499 121.485 120.300 -0.523 0.000 2.128 194 Y HA -0.273 4.063 4.550 -0.356 0.000 0.284 194 Y C 2.364 177.998 175.900 -0.444 0.000 1.154 194 Y CA 2.223 59.750 58.100 -0.956 0.000 1.149 194 Y CB -0.484 37.604 38.460 -0.621 0.000 0.976 194 Y HN 0.060 nan 8.280 nan 0.000 0.505 195 R N 0.395 120.676 120.500 -0.365 0.000 2.083 195 R HA -0.206 3.920 4.340 -0.356 0.000 0.237 195 R C 2.371 178.528 176.300 -0.239 0.000 1.137 195 R CA 1.631 57.526 56.100 -0.342 0.000 0.951 195 R CB -0.719 29.474 30.300 -0.178 0.000 0.851 195 R HN 0.450 nan 8.270 nan 0.000 0.434 196 A N 1.241 123.972 122.820 -0.147 0.000 1.917 196 A HA -0.055 4.051 4.320 -0.356 0.000 0.219 196 A C 1.442 178.971 177.584 -0.092 0.000 1.182 196 A CA 1.479 53.464 52.037 -0.087 0.000 0.633 196 A CB -0.865 18.113 19.000 -0.037 0.000 0.819 196 A HN 0.621 nan 8.150 nan 0.000 0.448 200 R N 0.713 121.144 120.500 -0.114 0.000 2.159 200 R HA -0.086 4.041 4.340 -0.356 0.000 0.237 200 R C 2.011 178.263 176.300 -0.081 0.000 1.131 200 R CA 1.707 57.771 56.100 -0.060 0.000 0.982 200 R CB -0.183 30.096 30.300 -0.035 0.000 0.868 200 R HN 0.363 nan 8.270 nan 0.000 0.453 201 I N 0.078 120.528 120.570 -0.199 0.000 2.454 201 I HA -0.269 3.688 4.170 -0.356 0.000 0.254 201 I C 1.099 177.159 176.117 -0.095 0.000 1.156 201 I CA 1.174 62.357 61.300 -0.194 0.000 1.433 201 I CB 0.116 37.934 38.000 -0.304 0.000 1.082 201 I HN 0.136 nan 8.210 nan 0.000 0.432 202 Y N 1.117 121.413 120.300 -0.005 0.000 2.519 202 Y HA 0.073 4.409 4.550 -0.356 0.000 0.287 202 Y C 0.931 176.833 175.900 0.004 0.000 1.128 202 Y CA -0.282 57.817 58.100 -0.001 0.000 1.282 202 Y CB -0.671 37.784 38.460 -0.007 0.000 1.027 202 Y HN 0.144 nan 8.280 nan 0.000 0.551 203 E N 2.066 122.350 120.200 0.140 0.000 2.493 203 E HA -0.087 4.050 4.350 -0.356 0.000 0.255 203 E C 0.184 176.829 176.600 0.074 0.000 0.999 203 E CA 0.199 56.652 56.400 0.088 0.000 0.934 203 E CB -0.011 29.722 29.700 0.055 0.000 0.940 203 E HN 0.303 nan 8.360 nan 0.000 0.473 204 N N 0.163 118.901 118.700 0.063 0.000 2.713 204 N HA -0.226 4.300 4.740 -0.356 0.000 0.251 204 N C -0.526 175.020 175.510 0.060 0.000 1.117 204 N CA 1.105 54.186 53.050 0.052 0.000 0.770 204 N CB -1.376 37.137 38.487 0.043 0.000 1.137 204 N HN 0.540 nan 8.380 nan 0.000 0.566 205 A N 0.586 123.454 122.820 0.081 0.000 2.440 205 A HA 0.211 4.317 4.320 -0.356 0.000 0.251 205 A C 1.405 179.025 177.584 0.059 0.000 1.089 205 A CA 0.178 52.267 52.037 0.086 0.000 0.779 205 A CB 0.673 19.757 19.000 0.139 0.000 1.022 205 A HN 0.282 nan 8.150 nan 0.000 0.492 206 K N 1.403 121.834 120.400 0.051 0.000 2.057 206 K HA 0.029 4.136 4.320 -0.356 0.000 0.206 206 K C -0.145 176.473 176.600 0.029 0.000 1.050 206 K CA 1.348 57.657 56.287 0.037 0.000 0.935 206 K CB -0.001 32.521 32.500 0.036 0.000 0.715 206 K HN 0.505 nan 8.250 nan 0.000 0.439 207 V N 1.633 121.569 119.914 0.036 0.000 2.577 207 V HA 0.195 4.102 4.120 -0.356 0.000 0.303 207 V C -0.509 175.602 176.094 0.029 0.000 1.042 207 V CA -1.219 61.095 62.300 0.024 0.000 0.872 207 V CB 1.222 33.063 31.823 0.030 0.000 0.998 207 V HN 0.377 nan 8.190 nan 0.000 0.423 208 c N 3.609 122.190 118.600 -0.031 0.000 2.341 208 c HA 0.896 5.252 4.570 -0.356 0.000 0.338 208 c C -0.079 173.971 174.090 -0.068 0.000 1.257 208 c CA -0.902 55.369 56.329 -0.096 0.000 1.883 208 c CB 0.462 42.680 42.510 -0.488 0.000 2.334 208 c HN 0.563 nan 8.230 nan 0.000 0.524 209 V N 4.397 124.339 119.914 0.047 0.000 2.378 209 V HA 0.637 4.544 4.120 -0.356 0.000 0.288 209 V C 0.324 176.510 176.094 0.154 0.000 1.016 209 V CA -0.168 62.190 62.300 0.096 0.000 0.840 209 V CB 1.164 33.057 31.823 0.117 0.000 0.994 209 V HN 1.028 nan 8.190 nan 0.000 0.431 210 V N 1.985 121.922 119.914 0.040 0.000 3.019 210 V HA 0.708 4.614 4.120 -0.356 0.000 0.317 210 V C -0.238 175.643 176.094 -0.354 0.000 1.094 210 V CA -0.906 61.367 62.300 -0.044 0.000 1.000 210 V CB 2.218 33.976 31.823 -0.108 0.000 1.060 210 V HN 0.699 nan 8.190 nan 0.000 0.443 211 N N 1.550 119.952 118.700 -0.497 0.000 2.439 211 N HA 0.460 4.987 4.740 -0.356 0.000 0.249 211 N C 0.835 176.065 175.510 -0.466 0.000 1.003 211 N CA 0.225 52.701 53.050 -0.956 0.000 0.942 211 N CB 1.510 39.642 38.487 -0.591 0.000 1.115 211 N HN 1.015 nan 8.380 nan 0.000 0.505 212 A N 3.170 125.737 122.820 -0.421 0.000 2.076 212 A HA -0.116 3.990 4.320 -0.356 0.000 0.220 212 A C 1.113 178.615 177.584 -0.137 0.000 1.160 212 A CA 1.242 53.160 52.037 -0.199 0.000 0.653 212 A CB 0.006 18.930 19.000 -0.127 0.000 0.801 212 A HN 0.679 nan 8.150 nan 0.000 0.455 213 D N -0.619 119.691 120.400 -0.150 0.000 2.339 213 D HA 0.070 4.497 4.640 -0.356 0.000 0.217 213 D C -0.425 175.842 176.300 -0.055 0.000 1.050 213 D CA 0.367 54.325 54.000 -0.070 0.000 0.856 213 D CB 0.344 41.127 40.800 -0.028 0.000 0.922 213 D HN 0.337 nan 8.370 nan 0.000 0.518 214 D N -0.051 120.299 120.400 -0.083 0.000 2.402 214 D HA 0.304 4.731 4.640 -0.356 0.000 0.252 214 D C 0.765 177.035 176.300 -0.050 0.000 1.294 214 D CA -0.556 53.416 54.000 -0.048 0.000 0.948 214 D CB 1.312 42.094 40.800 -0.030 0.000 1.202 214 D HN -0.118 nan 8.370 nan 0.000 0.561 215 A N 3.951 126.750 122.820 -0.035 0.000 2.019 215 A HA -0.081 4.025 4.320 -0.356 0.000 0.219 215 A C 2.109 179.681 177.584 -0.020 0.000 1.164 215 A CA 0.782 52.800 52.037 -0.031 0.000 0.644 215 A CB -0.304 18.683 19.000 -0.022 0.000 0.805 215 A HN 0.693 nan 8.150 nan 0.000 0.449 216 L N 0.135 121.347 121.223 -0.018 0.000 2.362 216 L HA -0.118 4.009 4.340 -0.356 0.000 0.219 216 L C 2.672 179.534 176.870 -0.013 0.000 1.134 216 L CA 1.599 56.427 54.840 -0.020 0.000 0.807 216 L CB -0.791 41.250 42.059 -0.029 0.000 0.927 216 L HN 0.668 nan 8.230 nan 0.000 0.447 217 T N -3.750 110.804 114.554 0.001 0.000 3.088 217 T HA 0.049 4.185 4.350 -0.356 0.000 0.259 217 T C 0.806 175.593 174.700 0.145 0.000 1.122 217 T CA 0.061 62.197 62.100 0.059 0.000 1.095 217 T CB -0.085 68.809 68.868 0.044 0.000 0.930 217 T HN 0.050 nan 8.240 nan 0.000 0.508 218 M N 2.426 122.058 119.600 0.054 0.000 2.211 218 M HA 0.377 4.644 4.480 -0.356 0.000 0.356 218 M C -2.437 173.898 176.300 0.058 0.000 1.216 218 M CA -2.360 52.951 55.300 0.018 0.000 1.134 218 M CB 0.833 33.411 32.600 -0.036 0.000 1.564 218 M HN -0.126 nan 8.290 nan 0.000 0.463 219 P HA 0.014 nan 4.420 nan 0.000 0.264 219 P C 0.255 177.567 177.300 0.021 0.000 1.183 219 P CA 0.374 63.508 63.100 0.057 0.000 0.763 219 P CB 0.422 32.098 31.700 -0.039 0.000 0.807 220 I N 0.454 121.043 120.570 0.031 0.000 2.202 220 I HA -0.210 3.746 4.170 -0.356 0.000 0.242 220 I C 1.865 177.983 176.117 0.002 0.000 1.091 220 I CA 1.526 62.833 61.300 0.012 0.000 1.368 220 I CB -0.412 37.595 38.000 0.012 0.000 1.058 220 I HN 0.357 nan 8.210 nan 0.000 0.410 226 R N -0.965 119.514 120.500 -0.034 0.000 3.127 226 R HA 0.385 4.511 4.340 -0.356 0.000 0.290 226 R C 0.269 176.529 176.300 -0.066 0.000 1.089 226 R CA 0.237 56.308 56.100 -0.049 0.000 1.188 226 R CB 0.009 30.288 30.300 -0.035 0.000 1.175 226 R HN 0.720 nan 8.270 nan 0.000 0.550 227 c N 0.099 118.646 118.600 -0.088 0.000 2.358 227 c HA 0.368 4.724 4.570 -0.356 0.000 0.354 227 c C 0.530 174.600 174.090 -0.033 0.000 1.183 227 c CA -0.819 55.449 56.329 -0.102 0.000 2.150 227 c CB 1.491 43.883 42.510 -0.196 0.000 2.361 227 c HN 0.401 nan 8.230 nan 0.000 0.535 228 V N 2.981 122.898 119.914 0.004 0.000 2.811 228 V HA 0.425 4.332 4.120 -0.356 0.000 0.302 228 V C 0.483 176.623 176.094 0.076 0.000 1.063 228 V CA 0.379 62.726 62.300 0.079 0.000 1.088 228 V CB 1.352 33.245 31.823 0.117 0.000 0.982 228 V HN 1.086 nan 8.190 nan 0.000 0.485 229 S N 4.195 119.975 115.700 0.133 0.000 2.568 229 S HA 0.878 5.134 4.470 -0.356 0.000 0.293 229 S C -0.920 173.823 174.600 0.239 0.000 1.089 229 S CA -0.768 57.480 58.200 0.081 0.000 0.945 229 S CB 2.018 65.209 63.200 -0.015 0.000 1.077 229 S HN 0.683 nan 8.310 nan 0.000 0.485 230 F N -0.746 119.268 119.950 0.106 0.000 2.579 230 F HA 1.036 5.350 4.527 -0.356 0.000 0.324 230 F C 0.146 176.018 175.800 0.120 0.000 1.058 230 F CA -0.383 57.706 58.000 0.148 0.000 0.944 230 F CB 1.405 40.446 39.000 0.069 0.000 1.245 230 F HN 1.058 nan 8.300 nan 0.000 0.477 231 G N 0.626 109.602 108.800 0.293 0.000 2.430 231 G HA2 0.394 4.141 3.960 -0.356 0.000 0.300 231 G HA3 0.394 4.141 3.960 -0.356 0.000 0.300 231 G C -1.002 174.046 174.900 0.247 0.000 1.330 231 G CA -0.218 44.983 45.100 0.169 0.000 0.813 231 G HN 0.723 nan 8.290 nan 0.000 0.487 232 V N 0.452 120.470 119.914 0.174 0.000 2.278 232 V HA 0.027 3.934 4.120 -0.356 0.000 0.238 232 V C 2.089 178.282 176.094 0.166 0.000 1.039 232 V CA 1.640 64.047 62.300 0.177 0.000 1.017 232 V CB -0.292 31.613 31.823 0.138 0.000 0.657 232 V HN 0.634 nan 8.190 nan 0.000 0.462 233 N N 0.280 119.039 118.700 0.098 0.000 2.325 233 N HA 0.186 4.712 4.740 -0.356 0.000 0.182 233 N C 0.299 175.785 175.510 -0.040 0.000 1.088 233 N CA 0.349 53.428 53.050 0.049 0.000 0.879 233 N CB 0.528 39.031 38.487 0.027 0.000 0.983 233 N HN 0.588 nan 8.380 nan 0.000 0.471 234 M N -2.318 117.270 119.600 -0.021 0.000 2.575 234 M HA 0.711 4.978 4.480 -0.356 0.000 0.284 234 M C -0.617 175.684 176.300 0.002 0.000 1.253 234 M CA -0.728 54.517 55.300 -0.090 0.000 0.861 234 M CB 2.880 35.441 32.600 -0.065 0.000 1.733 234 M HN -0.070 nan 8.290 nan 0.000 0.462 235 G N 0.956 109.755 108.800 -0.003 0.000 2.335 235 G HA2 0.005 3.751 3.960 -0.356 0.000 0.592 235 G HA3 0.005 3.751 3.960 -0.356 0.000 0.592 235 G C -0.797 174.239 174.900 0.226 0.000 1.442 235 G CA -0.400 44.775 45.100 0.125 0.000 0.976 235 G HN 0.808 nan 8.290 nan 0.000 0.652 236 D N -0.718 119.820 120.400 0.230 0.000 2.182 236 D HA -0.048 4.379 4.640 -0.356 0.000 0.201 236 D C 0.245 176.629 176.300 0.142 0.000 0.986 236 D CA 1.784 55.904 54.000 0.199 0.000 0.847 236 D CB 0.064 41.006 40.800 0.236 0.000 0.942 236 D HN 0.336 nan 8.370 nan 0.000 0.467 237 Y N 0.310 120.742 120.300 0.219 0.000 2.331 237 Y HA 0.298 4.635 4.550 -0.355 0.000 0.334 237 Y C 0.637 176.670 175.900 0.222 0.000 0.960 237 Y CA -0.832 57.355 58.100 0.145 0.000 1.130 237 Y CB 1.267 39.819 38.460 0.153 0.000 1.164 237 Y HN -0.005 nan 8.280 nan 0.000 0.458 238 H N 1.502 120.694 119.070 0.203 0.000 2.948 238 H HA 0.576 4.918 4.556 -0.356 0.000 0.315 238 H C -1.907 173.505 175.328 0.139 0.000 1.360 238 H CA -1.199 54.949 56.048 0.167 0.000 1.125 238 H CB 0.978 30.804 29.762 0.107 0.000 1.844 238 H HN 0.562 nan 8.280 nan 0.000 0.529 239 L N 1.210 122.586 121.223 0.255 0.000 2.325 239 L HA 0.375 4.502 4.340 -0.356 0.000 0.279 239 L C 0.439 177.443 176.870 0.224 0.000 1.054 239 L CA -0.636 54.311 54.840 0.179 0.000 0.804 239 L CB 1.306 43.471 42.059 0.178 0.000 1.200 239 L HN 0.599 nan 8.230 nan 0.000 0.436 240 N N 0.414 119.221 118.700 0.178 0.000 2.399 240 N HA 0.556 5.083 4.740 -0.356 0.000 0.280 240 N C -1.011 174.614 175.510 0.191 0.000 1.008 240 N CA -0.191 52.960 53.050 0.170 0.000 0.894 240 N CB 1.062 39.610 38.487 0.103 0.000 1.273 240 N HN 0.795 nan 8.380 nan 0.000 0.486 245 E N 0.472 120.691 120.200 0.031 0.000 2.354 245 E HA 0.610 4.746 4.350 -0.356 0.000 0.283 245 E C -1.249 175.352 176.600 0.002 0.000 0.938 245 E CA -0.551 55.845 56.400 -0.007 0.000 0.777 245 E CB 2.016 31.748 29.700 0.054 0.000 1.222 245 E HN 0.153 nan 8.360 nan 0.000 0.423 246 T N 2.602 117.068 114.554 -0.147 0.000 2.861 246 T HA 0.511 4.648 4.350 -0.356 0.000 0.287 246 T C -1.403 173.119 174.700 -0.296 0.000 1.003 246 T CA -0.489 61.531 62.100 -0.133 0.000 0.977 246 T CB 0.557 69.298 68.868 -0.212 0.000 0.996 246 T HN 0.285 nan 8.240 nan 0.000 0.448 247 W N 2.139 123.358 121.300 -0.136 0.000 2.666 247 W HA 0.626 5.072 4.660 -0.356 0.000 0.334 247 W C -0.605 175.836 176.519 -0.131 0.000 1.051 247 W CA -1.002 56.264 57.345 -0.131 0.000 1.224 247 W CB 0.975 30.382 29.460 -0.087 0.000 1.405 247 W HN 0.344 nan 8.180 nan 0.000 0.513 248 L N 4.058 125.341 121.223 0.100 0.000 2.331 248 L HA 0.486 4.613 4.340 -0.356 0.000 0.278 248 L C 0.474 177.369 176.870 0.041 0.000 1.106 248 L CA -0.356 54.518 54.840 0.057 0.000 0.824 248 L CB 0.271 42.356 42.059 0.044 0.000 1.142 248 L HN 0.387 nan 8.230 nan 0.000 0.443 249 R N 2.520 122.947 120.500 -0.122 0.000 2.686 249 R HA 0.685 4.811 4.340 -0.356 0.000 0.286 249 R C -1.352 174.714 176.300 -0.389 0.000 0.969 249 R CA -0.830 55.102 56.100 -0.280 0.000 0.898 249 R CB 2.819 32.834 30.300 -0.475 0.000 1.183 249 R HN 0.310 nan 8.270 nan 0.000 0.456 250 V N 3.288 123.004 119.914 -0.330 0.000 2.444 250 V HA 0.209 4.116 4.120 -0.356 0.000 0.294 250 V C 0.051 175.984 176.094 -0.268 0.000 1.022 250 V CA -1.038 60.990 62.300 -0.455 0.000 0.850 250 V CB 1.475 32.976 31.823 -0.536 0.000 0.992 250 V HN 0.738 nan 8.190 nan 0.000 0.426 251 K N 3.864 124.160 120.400 -0.174 0.000 3.311 251 K HA -0.276 3.830 4.320 -0.356 0.000 0.270 251 K C 1.199 177.808 176.600 0.015 0.000 0.927 251 K CA 0.685 56.957 56.287 -0.024 0.000 0.706 251 K CB -1.588 30.876 32.500 -0.061 0.000 1.418 251 K HN 1.617 nan 8.250 nan 0.000 0.459 252 G N 0.242 109.102 108.800 0.100 0.000 2.284 252 G HA2 -0.398 3.349 3.960 -0.356 0.000 0.261 252 G HA3 -0.398 3.349 3.960 -0.356 0.000 0.261 252 G C -0.014 174.856 174.900 -0.050 0.000 0.997 252 G CA 0.713 45.850 45.100 0.063 0.000 0.621 252 G HN 0.614 nan 8.290 nan 0.000 0.534 253 E N 1.306 121.450 120.200 -0.092 0.000 2.259 253 E HA 0.441 4.578 4.350 -0.356 0.000 0.281 253 E C 0.346 176.867 176.600 -0.131 0.000 1.037 253 E CA -0.655 55.679 56.400 -0.110 0.000 0.854 253 E CB 0.293 29.938 29.700 -0.091 0.000 1.051 253 E HN 0.325 nan 8.360 nan 0.000 0.409 254 K N 2.904 123.209 120.400 -0.158 0.000 2.412 254 K HA 0.023 4.129 4.320 -0.356 0.000 0.281 254 K C 0.734 177.342 176.600 0.014 0.000 1.027 254 K CA 0.038 56.253 56.287 -0.121 0.000 0.989 254 K CB 1.024 33.280 32.500 -0.407 0.000 0.935 254 K HN 0.496 nan 8.250 nan 0.000 0.475 255 V N 1.154 121.136 119.914 0.114 0.000 3.539 255 V HA 0.319 4.226 4.120 -0.356 0.000 0.262 255 V C -0.264 175.928 176.094 0.165 0.000 1.381 255 V CA -0.162 62.203 62.300 0.109 0.000 1.060 255 V CB 0.233 32.083 31.823 0.045 0.000 0.842 255 V HN 0.507 nan 8.190 nan 0.000 0.445 256 L N 1.678 123.043 121.223 0.237 0.000 2.611 256 L HA 0.580 4.706 4.340 -0.356 0.000 0.260 256 L C -1.317 175.473 176.870 -0.134 0.000 0.924 256 L CA -0.242 54.644 54.840 0.078 0.000 0.901 256 L CB 1.976 44.034 42.059 -0.002 0.000 1.369 256 L HN 0.209 nan 8.230 nan 0.000 0.415 257 N N 2.965 121.285 118.700 -0.633 0.000 2.430 257 N HA 0.160 4.687 4.740 -0.356 0.000 0.265 257 N C 0.993 176.138 175.510 -0.608 0.000 1.100 257 N CA 0.253 52.586 53.050 -1.196 0.000 0.961 257 N CB 1.790 39.337 38.487 -1.566 0.000 1.075 257 N HN 0.632 nan 8.380 nan 0.000 0.478 258 V N 2.791 122.356 119.914 -0.582 0.000 3.305 258 V HA -0.100 3.807 4.120 -0.356 0.000 0.269 258 V C 1.970 177.903 176.094 -0.268 0.000 1.157 258 V CA 1.383 63.420 62.300 -0.438 0.000 1.157 258 V CB -0.863 30.448 31.823 -0.853 0.000 0.772 258 V HN 0.770 nan 8.190 nan 0.000 0.498 259 K N 0.317 120.543 120.400 -0.289 0.000 2.360 259 K HA -0.122 3.985 4.320 -0.356 0.000 0.201 259 K C 1.545 178.073 176.600 -0.119 0.000 1.046 259 K CA 1.562 57.749 56.287 -0.168 0.000 0.945 259 K CB -0.220 32.177 32.500 -0.172 0.000 0.750 259 K HN 0.473 nan 8.250 nan 0.000 0.464 260 E N 0.745 120.858 120.200 -0.146 0.000 2.371 260 E HA 0.065 4.202 4.350 -0.356 0.000 0.194 260 E C 0.604 177.183 176.600 -0.035 0.000 1.012 260 E CA 0.458 56.807 56.400 -0.085 0.000 0.860 260 E CB -0.055 29.591 29.700 -0.091 0.000 0.811 260 E HN 0.463 nan 8.360 nan 0.000 0.502 261 M N 0.729 120.317 119.600 -0.019 0.000 2.255 261 M HA 0.105 4.371 4.480 -0.356 0.000 0.336 261 M C 1.325 177.657 176.300 0.053 0.000 1.135 261 M CA -0.128 55.200 55.300 0.047 0.000 1.145 261 M CB 0.865 33.531 32.600 0.110 0.000 1.473 261 M HN -0.337 nan 8.290 nan 0.000 0.462 262 K N 1.499 121.931 120.400 0.053 0.000 2.262 262 K HA 0.263 4.370 4.320 -0.356 0.000 0.200 262 K C 0.454 177.074 176.600 0.033 0.000 1.049 262 K CA 0.598 56.900 56.287 0.026 0.000 0.979 262 K CB -0.149 32.344 32.500 -0.012 0.000 0.773 262 K HN 0.600 nan 8.250 nan 0.000 0.474 263 L N 1.957 123.217 121.223 0.062 0.000 2.436 263 L HA 0.081 4.208 4.340 -0.356 0.000 0.265 263 L C 0.803 177.712 176.870 0.065 0.000 1.168 263 L CA -0.278 54.593 54.840 0.051 0.000 0.815 263 L CB 0.846 42.953 42.059 0.079 0.000 1.109 263 L HN 0.071 nan 8.230 nan 0.000 0.462 264 S N 0.250 115.914 115.700 -0.060 0.000 2.661 264 S HA 0.923 5.180 4.470 -0.356 0.000 0.285 264 S C -0.322 174.008 174.600 -0.450 0.000 1.138 264 S CA -0.163 57.954 58.200 -0.138 0.000 0.855 264 S CB 2.016 65.213 63.200 -0.006 0.000 1.136 264 S HN 1.279 nan 8.310 nan 0.000 0.484 265 G N 0.603 109.057 108.800 -0.577 0.000 2.721 265 G HA2 -0.133 3.614 3.960 -0.356 0.000 0.686 265 G HA3 -0.133 3.614 3.960 -0.356 0.000 0.686 265 G C 0.142 174.558 174.900 -0.807 0.000 1.236 265 G CA 0.125 44.925 45.100 -0.501 0.000 0.786 265 G HN 1.039 nan 8.290 nan 0.000 0.616 266 Q N 0.287 119.905 119.800 -0.303 0.000 2.135 266 Q HA -0.242 3.885 4.340 -0.356 0.000 0.204 266 Q C 2.100 178.055 176.000 -0.075 0.000 0.981 266 Q CA 2.473 58.235 55.803 -0.068 0.000 0.856 266 Q CB -0.146 28.640 28.738 0.080 0.000 0.902 266 Q HN 0.971 nan 8.270 nan 0.000 0.425 267 H N 0.474 119.442 119.070 -0.171 0.000 2.290 267 H HA -0.111 4.231 4.556 -0.356 0.000 0.298 267 H C 1.674 176.925 175.328 -0.128 0.000 1.087 267 H CA 2.333 58.313 56.048 -0.114 0.000 1.291 267 H CB -0.085 29.598 29.762 -0.132 0.000 1.369 267 H HN 0.308 nan 8.280 nan 0.000 0.492 268 N N -0.439 118.050 118.700 -0.351 0.000 2.244 268 N HA -0.138 4.388 4.740 -0.356 0.000 0.183 268 N C 1.457 176.869 175.510 -0.163 0.000 1.016 268 N CA 1.110 53.971 53.050 -0.314 0.000 0.866 268 N CB -0.300 38.052 38.487 -0.225 0.000 0.980 268 N HN 0.465 nan 8.380 nan 0.000 0.430 269 Y N 1.180 121.444 120.300 -0.059 0.000 2.200 269 Y HA -0.099 4.237 4.550 -0.356 0.000 0.290 269 Y C 2.773 178.644 175.900 -0.048 0.000 1.137 269 Y CA 1.193 59.272 58.100 -0.036 0.000 1.163 269 Y CB -1.493 36.969 38.460 0.004 0.000 0.988 269 Y HN 0.158 nan 8.280 nan 0.000 0.518 270 T N -2.015 112.591 114.554 0.087 0.000 2.867 270 T HA -0.142 3.995 4.350 -0.356 0.000 0.268 270 T C 1.703 176.258 174.700 -0.242 0.000 1.057 270 T CA 1.370 63.489 62.100 0.033 0.000 1.136 270 T CB -0.434 68.550 68.868 0.193 0.000 0.874 270 T HN 0.182 nan 8.240 nan 0.000 0.466 271 N N 2.393 120.927 118.700 -0.276 0.000 2.084 271 N HA 0.036 4.563 4.740 -0.356 0.000 0.190 271 N C 2.305 177.655 175.510 -0.267 0.000 1.030 271 N CA 1.636 54.488 53.050 -0.329 0.000 0.849 271 N CB -0.960 37.348 38.487 -0.299 0.000 1.012 271 N HN 0.618 nan 8.380 nan 0.000 0.423 272 A N 1.341 124.080 122.820 -0.136 0.000 1.908 272 A HA -0.107 4.000 4.320 -0.356 0.000 0.218 272 A C 2.402 179.918 177.584 -0.113 0.000 1.181 272 A CA 1.091 53.081 52.037 -0.078 0.000 0.627 272 A CB -0.827 18.197 19.000 0.039 0.000 0.818 272 A HN 0.240 nan 8.150 nan 0.000 0.445 273 L N -0.941 120.215 121.223 -0.113 0.000 2.017 273 L HA -0.214 3.913 4.340 -0.356 0.000 0.208 273 L C 3.140 179.792 176.870 -0.364 0.000 1.073 273 L CA 1.177 55.960 54.840 -0.094 0.000 0.745 273 L CB -0.659 41.440 42.059 0.066 0.000 0.894 273 L HN 0.451 nan 8.230 nan 0.000 0.432 274 A N 0.052 122.454 122.820 -0.698 0.000 1.877 274 A HA -0.180 3.927 4.320 -0.356 0.000 0.216 274 A C 2.534 179.849 177.584 -0.449 0.000 1.186 274 A CA 1.815 53.347 52.037 -0.840 0.000 0.620 274 A CB -0.751 17.559 19.000 -1.150 0.000 0.822 274 A HN 0.410 nan 8.150 nan 0.000 0.443 275 A N -0.738 121.874 122.820 -0.347 0.000 1.902 275 A HA -0.039 4.067 4.320 -0.356 0.000 0.217 275 A C 2.132 179.601 177.584 -0.192 0.000 1.181 275 A CA 1.731 53.628 52.037 -0.235 0.000 0.623 275 A CB -0.592 18.283 19.000 -0.209 0.000 0.818 275 A HN 0.589 nan 8.150 nan 0.000 0.443 276 L N -0.355 120.760 121.223 -0.180 0.000 2.083 276 L HA -0.047 4.080 4.340 -0.356 0.000 0.209 276 L C 2.731 179.487 176.870 -0.192 0.000 1.083 276 L CA 1.972 56.754 54.840 -0.096 0.000 0.752 276 L CB -0.682 41.404 42.059 0.046 0.000 0.899 276 L HN 0.356 nan 8.230 nan 0.000 0.433 277 A N -0.657 121.824 122.820 -0.564 0.000 1.902 277 A HA -0.182 3.925 4.320 -0.356 0.000 0.217 277 A C 2.234 179.656 177.584 -0.270 0.000 1.181 277 A CA 2.012 53.588 52.037 -0.769 0.000 0.623 277 A CB -0.845 17.561 19.000 -0.990 0.000 0.818 277 A HN 0.478 nan 8.150 nan 0.000 0.443 278 L N -0.825 120.273 121.223 -0.207 0.000 2.027 278 L HA -0.168 3.959 4.340 -0.356 0.000 0.206 278 L C 3.123 179.957 176.870 -0.060 0.000 1.074 278 L CA 1.072 55.851 54.840 -0.101 0.000 0.745 278 L CB -0.641 41.361 42.059 -0.094 0.000 0.898 278 L HN 0.418 nan 8.230 nan 0.000 0.433 279 A N 0.115 122.894 122.820 -0.067 0.000 1.865 279 A HA -0.269 3.837 4.320 -0.356 0.000 0.217 279 A C 1.962 179.545 177.584 -0.003 0.000 1.191 279 A CA 2.191 54.209 52.037 -0.033 0.000 0.623 279 A CB -0.712 18.268 19.000 -0.034 0.000 0.826 279 A HN 0.368 nan 8.150 nan 0.000 0.444 280 D N 0.005 120.415 120.400 0.016 0.000 2.116 280 D HA -0.132 4.295 4.640 -0.356 0.000 0.193 280 D C 2.186 178.514 176.300 0.046 0.000 0.998 280 D CA 1.847 55.883 54.000 0.059 0.000 0.836 280 D CB -0.522 40.365 40.800 0.146 0.000 0.951 280 D HN 0.443 nan 8.370 nan 0.000 0.449 281 A N 0.548 123.386 122.820 0.031 0.000 2.015 281 A HA 0.045 4.151 4.320 -0.356 0.000 0.219 281 A C 2.159 179.759 177.584 0.026 0.000 1.163 281 A CA 1.756 53.812 52.037 0.032 0.000 0.646 281 A CB -0.417 18.598 19.000 0.024 0.000 0.806 281 A HN 0.230 nan 8.150 nan 0.000 0.448 282 A N -1.677 121.154 122.820 0.017 0.000 2.206 282 A HA 0.398 4.505 4.320 -0.356 0.000 0.211 282 A C 1.767 179.360 177.584 0.016 0.000 1.158 282 A CA 1.192 53.239 52.037 0.017 0.000 0.761 282 A CB -0.906 18.099 19.000 0.009 0.000 0.801 282 A HN 1.855 nan 8.150 nan 0.000 0.473 283 G N -1.134 107.677 108.800 0.019 0.000 2.137 283 G HA2 -0.205 3.541 3.960 -0.356 0.000 0.237 283 G HA3 -0.205 3.541 3.960 -0.356 0.000 0.237 283 G C 0.026 174.934 174.900 0.013 0.000 1.002 283 G CA 0.248 45.359 45.100 0.018 0.000 0.702 283 G HN 0.433 nan 8.290 nan 0.000 0.515 284 L N 0.788 122.017 121.223 0.011 0.000 2.397 284 L HA 0.399 4.526 4.340 -0.356 0.000 0.271 284 L C -1.502 175.375 176.870 0.013 0.000 1.148 284 L CA -1.990 52.854 54.840 0.006 0.000 0.825 284 L CB 0.612 42.671 42.059 -0.001 0.000 1.117 284 L HN -0.065 nan 8.230 nan 0.000 0.456 285 P HA 0.146 nan 4.420 nan 0.000 0.271 285 P C 0.157 177.467 177.300 0.017 0.000 1.216 285 P CA -0.474 62.634 63.100 0.014 0.000 0.776 285 P CB 0.688 32.394 31.700 0.010 0.000 0.881 286 R N 2.541 123.054 120.500 0.023 0.000 2.073 286 R HA -0.140 3.987 4.340 -0.356 0.000 0.234 286 R C 1.978 178.293 176.300 0.024 0.000 1.134 286 R CA 2.002 58.119 56.100 0.029 0.000 0.952 286 R CB -1.408 28.911 30.300 0.031 0.000 0.850 286 R HN 0.586 nan 8.270 nan 0.000 0.433 287 A N 1.100 123.932 122.820 0.020 0.000 1.873 287 A HA -0.239 3.867 4.320 -0.356 0.000 0.218 287 A C 2.336 179.930 177.584 0.017 0.000 1.193 287 A CA 2.662 54.711 52.037 0.019 0.000 0.629 287 A CB -0.730 18.279 19.000 0.016 0.000 0.826 287 A HN 0.525 nan 8.150 nan 0.000 0.447 288 S N -0.630 115.078 115.700 0.013 0.000 2.406 288 S HA -0.090 4.167 4.470 -0.356 0.000 0.228 288 S C 2.017 176.623 174.600 0.009 0.000 1.020 288 S CA 1.352 59.559 58.200 0.011 0.000 0.965 288 S CB -0.592 62.612 63.200 0.007 0.000 0.798 288 S HN 0.470 nan 8.310 nan 0.000 0.488 289 S N 2.555 118.260 115.700 0.009 0.000 2.356 289 S HA 0.077 4.334 4.470 -0.356 0.000 0.223 289 S C 1.814 176.419 174.600 0.008 0.000 1.032 289 S CA 1.388 59.590 58.200 0.003 0.000 1.005 289 S CB -0.600 62.604 63.200 0.006 0.000 0.867 289 S HN 0.448 nan 8.310 nan 0.000 0.449 290 L N 1.101 122.335 121.223 0.018 0.000 2.141 290 L HA -0.075 4.052 4.340 -0.356 0.000 0.209 290 L C 2.430 179.312 176.870 0.020 0.000 1.094 290 L CA 1.062 55.915 54.840 0.021 0.000 0.763 290 L CB -0.448 41.628 42.059 0.028 0.000 0.908 290 L HN 0.217 nan 8.230 nan 0.000 0.437 291 K N 0.403 120.814 120.400 0.020 0.000 2.032 291 K HA -0.175 3.932 4.320 -0.356 0.000 0.209 291 K C 2.292 178.911 176.600 0.032 0.000 1.048 291 K CA 1.491 57.791 56.287 0.022 0.000 0.927 291 K CB -0.368 32.144 32.500 0.020 0.000 0.712 291 K HN 0.283 nan 8.250 nan 0.000 0.441 292 A N 1.548 124.385 122.820 0.028 0.000 1.948 292 A HA -0.175 3.932 4.320 -0.356 0.000 0.220 292 A C 2.118 179.742 177.584 0.065 0.000 1.177 292 A CA 1.406 53.466 52.037 0.039 0.000 0.636 292 A CB -0.706 18.297 19.000 0.004 0.000 0.815 292 A HN 0.201 nan 8.150 nan 0.000 0.449 293 L N -0.278 120.972 121.223 0.045 0.000 2.131 293 L HA -0.147 3.979 4.340 -0.356 0.000 0.210 293 L C 2.896 179.821 176.870 0.091 0.000 1.092 293 L CA 1.723 56.602 54.840 0.066 0.000 0.759 293 L CB -0.573 41.508 42.059 0.036 0.000 0.903 293 L HN 0.690 nan 8.230 nan 0.000 0.435 294 T N -5.183 109.408 114.554 0.062 0.000 3.043 294 T HA -0.079 4.058 4.350 -0.356 0.000 0.263 294 T C 1.705 176.441 174.700 0.059 0.000 1.094 294 T CA 1.036 63.164 62.100 0.047 0.000 1.127 294 T CB -0.300 68.580 68.868 0.021 0.000 0.905 294 T HN 0.411 nan 8.240 nan 0.000 0.490 295 T N -1.521 113.084 114.554 0.084 0.000 3.037 295 T HA 0.284 4.421 4.350 -0.356 0.000 0.252 295 T C 0.351 175.121 174.700 0.116 0.000 1.073 295 T CA -0.622 61.526 62.100 0.081 0.000 1.091 295 T CB -0.668 68.244 68.868 0.073 0.000 0.935 295 T HN 0.271 nan 8.240 nan 0.000 0.488 296 F N 4.621 124.576 119.950 0.008 0.000 2.541 296 F HA 0.329 4.643 4.527 -0.355 0.000 0.378 296 F C 1.472 177.281 175.800 0.015 0.000 1.068 296 F CA -0.413 57.593 58.000 0.010 0.000 1.199 296 F CB 0.979 39.983 39.000 0.006 0.000 1.091 296 F HN 0.178 nan 8.300 nan 0.000 0.555 297 T N 2.258 116.404 114.554 -0.680 0.000 3.081 297 T HA 0.515 4.651 4.350 -0.356 0.000 0.250 297 T C 0.801 175.098 174.700 -0.671 0.000 1.100 297 T CA 0.207 61.994 62.100 -0.523 0.000 1.038 297 T CB -0.714 67.990 68.868 -0.273 0.000 0.962 297 T HN 1.318 nan 8.240 nan 0.000 0.516 298 G N 0.739 108.710 108.800 -1.382 0.000 2.555 298 G HA2 0.091 3.838 3.960 -0.356 0.000 0.686 298 G HA3 0.091 3.838 3.960 -0.356 0.000 0.686 298 G C -1.212 173.483 174.900 -0.341 0.000 1.275 298 G CA -0.945 43.756 45.100 -0.665 0.000 0.871 298 G HN 0.460 nan 8.290 nan 0.000 0.603 299 L N 1.652 122.877 121.223 0.004 0.000 2.344 299 L HA 0.565 4.692 4.340 -0.356 0.000 0.272 299 L C -1.471 175.421 176.870 0.037 0.000 1.035 299 L CA -2.052 52.847 54.840 0.098 0.000 0.807 299 L CB 1.903 44.087 42.059 0.209 0.000 1.237 299 L HN 0.491 nan 8.230 nan 0.000 0.442 300 P HA 0.019 nan 4.420 nan 0.000 0.269 300 P C -0.436 176.796 177.300 -0.112 0.000 1.209 300 P CA 0.338 63.330 63.100 -0.181 0.000 0.776 300 P CB 0.402 31.943 31.700 -0.266 0.000 0.876 301 H N -2.035 117.101 119.070 0.109 0.000 3.642 301 H HA -0.155 4.188 4.556 -0.356 0.000 0.185 301 H C 0.395 175.759 175.328 0.062 0.000 0.992 301 H CA 0.945 57.066 56.048 0.122 0.000 1.216 301 H CB -1.326 28.620 29.762 0.308 0.000 1.055 301 H HN 0.394 nan 8.280 nan 0.000 0.351 302 R N 0.489 121.063 120.500 0.124 0.000 2.332 302 R HA 0.308 4.435 4.340 -0.356 0.000 0.306 302 R C -0.663 175.738 176.300 0.169 0.000 1.117 302 R CA -0.964 55.206 56.100 0.118 0.000 1.108 302 R CB -1.174 29.200 30.300 0.123 0.000 1.126 302 R HN 0.181 nan 8.270 nan 0.000 0.548 303 F N 1.502 121.439 119.950 -0.021 0.000 2.829 303 F HA -0.289 4.025 4.527 -0.356 0.000 0.237 303 F C -0.330 175.464 175.800 -0.011 0.000 1.017 303 F CA 1.268 59.252 58.000 -0.027 0.000 0.882 303 F CB -0.081 38.899 39.000 -0.033 0.000 0.795 303 F HN 0.655 nan 8.300 nan 0.000 0.848 304 E N 1.707 121.861 120.200 -0.075 0.000 2.134 304 E HA 0.448 4.584 4.350 -0.356 0.000 0.278 304 E C -0.533 176.026 176.600 -0.068 0.000 0.959 304 E CA -0.755 55.618 56.400 -0.045 0.000 0.783 304 E CB 1.160 30.827 29.700 -0.056 0.000 1.095 304 E HN 0.157 nan 8.360 nan 0.000 0.399 305 V N 6.255 126.152 119.914 -0.028 0.000 2.421 305 V HA -0.026 3.880 4.120 -0.356 0.000 0.271 305 V C 1.324 177.439 176.094 0.035 0.000 1.031 305 V CA 0.084 62.391 62.300 0.013 0.000 1.032 305 V CB 0.525 32.371 31.823 0.039 0.000 1.009 305 V HN 0.707 nan 8.190 nan 0.000 0.477 306 V N 3.072 123.036 119.914 0.083 0.000 3.307 306 V HA 0.422 4.329 4.120 -0.356 0.000 0.253 306 V C 0.224 176.317 176.094 -0.002 0.000 1.149 306 V CA 0.447 62.773 62.300 0.042 0.000 1.112 306 V CB 0.372 32.241 31.823 0.077 0.000 0.777 306 V HN 0.550 nan 8.190 nan 0.000 0.464 307 L N 0.934 122.193 121.223 0.061 0.000 2.588 307 L HA 0.663 4.790 4.340 -0.356 0.000 0.263 307 L C -1.181 175.804 176.870 0.191 0.000 0.935 307 L CA -0.508 54.349 54.840 0.029 0.000 0.891 307 L CB 2.080 44.021 42.059 -0.198 0.000 1.318 307 L HN 0.349 nan 8.230 nan 0.000 0.409 308 E N 4.526 124.819 120.200 0.155 0.000 2.235 308 E HA 0.442 4.578 4.350 -0.356 0.000 0.252 308 E C -1.741 174.992 176.600 0.222 0.000 0.886 308 E CA -0.439 56.076 56.400 0.191 0.000 0.767 308 E CB 0.657 30.432 29.700 0.124 0.000 1.205 308 E HN 0.725 nan 8.360 nan 0.000 0.421 309 H N 4.405 123.545 119.070 0.116 0.000 3.086 309 H HA 0.191 4.533 4.556 -0.356 0.000 0.353 309 H C -0.551 174.829 175.328 0.087 0.000 1.134 309 H CA -0.514 55.574 56.048 0.066 0.000 1.248 309 H CB 1.018 30.784 29.762 0.007 0.000 1.878 309 H HN 0.651 nan 8.280 nan 0.000 0.527 310 N N 2.487 120.923 118.700 -0.440 0.000 2.747 310 N HA -0.175 4.352 4.740 -0.356 0.000 0.249 310 N C 0.979 176.452 175.510 -0.061 0.000 1.107 310 N CA 1.718 54.609 53.050 -0.265 0.000 0.707 310 N CB -1.461 36.875 38.487 -0.252 0.000 1.054 310 N HN 1.046 nan 8.380 nan 0.000 0.555 311 G N -2.653 106.131 108.800 -0.025 0.000 2.148 311 G HA2 -0.302 3.444 3.960 -0.356 0.000 0.254 311 G HA3 -0.302 3.444 3.960 -0.356 0.000 0.254 311 G C -0.060 174.855 174.900 0.025 0.000 0.981 311 G CA 0.465 45.571 45.100 0.010 0.000 0.670 311 G HN 0.568 nan 8.290 nan 0.000 0.528 312 V N 0.500 120.448 119.914 0.056 0.000 2.495 312 V HA 0.593 4.500 4.120 -0.356 0.000 0.298 312 V C 0.538 176.687 176.094 0.091 0.000 1.031 312 V CA -0.956 61.354 62.300 0.017 0.000 0.871 312 V CB 1.716 33.533 31.823 -0.009 0.000 0.988 312 V HN 0.328 nan 8.190 nan 0.000 0.432 313 R N 3.291 123.789 120.500 -0.003 0.000 2.229 313 R HA 0.381 4.508 4.340 -0.356 0.000 0.328 313 R C -1.630 174.664 176.300 -0.010 0.000 1.009 313 R CA -0.350 55.792 56.100 0.070 0.000 0.864 313 R CB 1.230 31.556 30.300 0.045 0.000 1.085 313 R HN 0.633 nan 8.270 nan 0.000 0.453 314 W N 4.920 126.233 121.300 0.022 0.000 2.329 314 W HA 0.423 4.869 4.660 -0.356 0.000 0.312 314 W C -0.260 176.327 176.519 0.113 0.000 1.054 314 W CA -0.343 57.053 57.345 0.084 0.000 1.245 314 W CB 0.622 30.076 29.460 -0.010 0.000 1.255 314 W HN 0.321 nan 8.180 nan 0.000 0.436 315 I N 3.878 124.589 120.570 0.235 0.000 2.362 315 I HA 0.138 4.094 4.170 -0.356 0.000 0.289 315 I C 0.016 176.010 176.117 -0.206 0.000 0.994 315 I CA -0.916 60.319 61.300 -0.108 0.000 1.158 315 I CB 1.278 38.941 38.000 -0.562 0.000 1.315 315 I HN 0.269 nan 8.210 nan 0.000 0.451 316 N N 4.808 123.432 118.700 -0.126 0.000 2.521 316 N HA 0.070 4.597 4.740 -0.356 0.000 0.236 316 N C -0.450 174.937 175.510 -0.205 0.000 1.067 316 N CA 0.002 52.902 53.050 -0.251 0.000 0.939 316 N CB 0.494 39.021 38.487 0.066 0.000 1.201 316 N HN 0.438 nan 8.380 nan 0.000 0.511 317 D N 1.401 121.642 120.400 -0.266 0.000 2.894 317 D HA 0.125 4.552 4.640 -0.356 0.000 0.273 317 D C 1.017 177.266 176.300 -0.085 0.000 1.328 317 D CA -0.055 53.879 54.000 -0.111 0.000 0.845 317 D CB 0.041 40.803 40.800 -0.062 0.000 1.072 317 D HN 0.408 nan 8.370 nan 0.000 0.484 318 S N 0.023 115.695 115.700 -0.046 0.000 2.419 318 S HA -0.197 4.059 4.470 -0.356 0.000 0.235 318 S C 1.796 176.376 174.600 -0.033 0.000 1.019 318 S CA 1.143 59.340 58.200 -0.004 0.000 0.982 318 S CB -0.046 63.203 63.200 0.082 0.000 0.789 318 S HN 0.311 nan 8.310 nan 0.000 0.490 319 K N 0.720 121.052 120.400 -0.113 0.000 2.515 319 K HA 0.141 4.248 4.320 -0.356 0.000 0.196 319 K C 0.427 176.839 176.600 -0.315 0.000 1.038 319 K CA 0.566 56.542 56.287 -0.519 0.000 0.967 319 K CB -0.233 32.001 32.500 -0.444 0.000 0.780 319 K HN 0.377 nan 8.250 nan 0.000 0.483 320 A N 1.582 124.307 122.820 -0.159 0.000 2.797 320 A HA 0.050 4.156 4.320 -0.356 0.000 0.296 320 A C 0.620 178.142 177.584 -0.103 0.000 1.580 320 A CA -0.074 51.892 52.037 -0.119 0.000 1.277 320 A CB -0.375 18.576 19.000 -0.082 0.000 1.101 320 A HN 0.370 nan 8.150 nan 0.000 0.562 321 T N -1.277 113.204 114.554 -0.120 0.000 3.145 321 T HA 0.242 4.378 4.350 -0.356 0.000 0.255 321 T C 0.225 174.885 174.700 -0.067 0.000 1.039 321 T CA 0.043 62.096 62.100 -0.079 0.000 0.928 321 T CB -0.749 68.068 68.868 -0.085 0.000 1.029 321 T HN 0.751 nan 8.240 nan 0.000 0.554 322 N N -1.258 117.403 118.700 -0.065 0.000 2.732 322 N HA 0.399 4.925 4.740 -0.356 0.000 0.259 322 N C 0.448 175.951 175.510 -0.010 0.000 1.402 322 N CA -0.992 52.027 53.050 -0.052 0.000 0.829 322 N CB 1.071 39.490 38.487 -0.113 0.000 1.495 322 N HN -0.190 nan 8.380 nan 0.000 0.511 323 V N 0.057 119.982 119.914 0.018 0.000 2.343 323 V HA -0.044 3.863 4.120 -0.356 0.000 0.247 323 V C 2.279 178.370 176.094 -0.004 0.000 1.051 323 V CA 2.478 64.807 62.300 0.048 0.000 1.036 323 V CB -1.263 30.604 31.823 0.073 0.000 0.654 323 V HN 0.902 nan 8.190 nan 0.000 0.451 324 G N -1.231 107.560 108.800 -0.015 0.000 2.422 324 G HA2 -0.292 3.454 3.960 -0.356 0.000 0.218 324 G HA3 -0.292 3.454 3.960 -0.356 0.000 0.218 324 G C 1.924 176.773 174.900 -0.085 0.000 1.146 324 G CA 1.282 46.366 45.100 -0.027 0.000 0.769 324 G HN 0.487 nan 8.290 nan 0.000 0.547 325 S N -0.163 115.484 115.700 -0.089 0.000 2.355 325 S HA -0.109 4.148 4.470 -0.356 0.000 0.222 325 S C 2.553 177.061 174.600 -0.154 0.000 1.031 325 S CA 2.118 60.236 58.200 -0.136 0.000 0.993 325 S CB -0.569 62.567 63.200 -0.107 0.000 0.859 325 S HN 0.369 nan 8.310 nan 0.000 0.453 326 T N 2.057 116.543 114.554 -0.113 0.000 2.746 326 T HA -0.078 4.058 4.350 -0.356 0.000 0.267 326 T C 1.675 176.246 174.700 -0.216 0.000 1.039 326 T CA 1.440 63.467 62.100 -0.122 0.000 1.142 326 T CB -0.415 68.407 68.868 -0.077 0.000 0.866 326 T HN 0.510 nan 8.240 nan 0.000 0.444 327 E N 0.825 120.882 120.200 -0.239 0.000 2.070 327 E HA -0.186 3.951 4.350 -0.356 0.000 0.197 327 E C 2.555 178.909 176.600 -0.411 0.000 1.004 327 E CA 1.155 57.306 56.400 -0.416 0.000 0.805 327 E CB -0.245 29.333 29.700 -0.203 0.000 0.744 327 E HN 0.498 nan 8.360 nan 0.000 0.451 328 A N 1.188 123.823 122.820 -0.308 0.000 1.940 328 A HA -0.166 3.941 4.320 -0.356 0.000 0.219 328 A C 2.329 179.701 177.584 -0.354 0.000 1.176 328 A CA 1.859 53.679 52.037 -0.362 0.000 0.631 328 A CB -0.524 18.109 19.000 -0.612 0.000 0.814 328 A HN 0.323 nan 8.150 nan 0.000 0.446 329 A N -0.612 122.034 122.820 -0.290 0.000 1.929 329 A HA 0.117 4.224 4.320 -0.356 0.000 0.216 329 A C 2.095 179.562 177.584 -0.196 0.000 1.176 329 A CA 1.308 53.217 52.037 -0.214 0.000 0.628 329 A CB -0.410 18.616 19.000 0.043 0.000 0.816 329 A HN 0.460 nan 8.150 nan 0.000 0.444 330 L N -0.605 120.455 121.223 -0.272 0.000 2.270 330 L HA 0.020 4.147 4.340 -0.356 0.000 0.210 330 L C 0.769 177.496 176.870 -0.239 0.000 1.104 330 L CA 0.050 54.728 54.840 -0.270 0.000 0.804 330 L CB -0.464 41.348 42.059 -0.411 0.000 0.937 330 L HN 0.301 nan 8.230 nan 0.000 0.450 331 N N 0.975 119.477 118.700 -0.329 0.000 2.431 331 N HA 0.170 4.697 4.740 -0.356 0.000 0.265 331 N C 0.894 176.403 175.510 -0.003 0.000 1.184 331 N CA 0.991 54.008 53.050 -0.056 0.000 0.943 331 N CB 0.745 39.215 38.487 -0.029 0.000 1.080 331 N HN 0.307 nan 8.380 nan 0.000 0.477 332 G N 2.443 111.286 108.800 0.073 0.000 2.148 332 G HA2 -0.278 3.468 3.960 -0.356 0.000 0.254 332 G HA3 -0.278 3.468 3.960 -0.356 0.000 0.254 332 G C -0.002 174.918 174.900 0.034 0.000 0.981 332 G CA 0.318 45.447 45.100 0.048 0.000 0.670 332 G HN 0.637 nan 8.290 nan 0.000 0.528 333 L N 1.222 122.461 121.223 0.027 0.000 2.410 333 L HA 0.651 4.778 4.340 -0.356 0.000 0.273 333 L C 0.411 177.339 176.870 0.096 0.000 1.152 333 L CA -0.891 53.969 54.840 0.034 0.000 0.855 333 L CB 0.472 42.545 42.059 0.023 0.000 1.129 333 L HN 0.339 nan 8.230 nan 0.000 0.463 334 H N 4.098 123.186 119.070 0.029 0.000 2.519 334 H HA 0.632 4.974 4.556 -0.356 0.000 0.316 334 H C -1.371 173.985 175.328 0.046 0.000 1.065 334 H CA -0.535 55.534 56.048 0.035 0.000 1.264 334 H CB 1.018 30.799 29.762 0.031 0.000 1.413 334 H HN 0.432 nan 8.280 nan 0.000 0.465 335 V N 6.232 125.812 119.914 -0.556 0.000 2.531 335 V HA 0.092 3.998 4.120 -0.356 0.000 0.301 335 V C 0.372 176.152 176.094 -0.523 0.000 1.034 335 V CA -0.715 61.338 62.300 -0.413 0.000 0.865 335 V CB 1.931 33.650 31.823 -0.175 0.000 0.995 335 V HN 0.920 nan 8.190 nan 0.000 0.424 336 D N 3.229 123.406 120.400 -0.372 0.000 2.117 336 D HA -0.028 4.399 4.640 -0.356 0.000 0.198 336 D C 1.283 177.527 176.300 -0.092 0.000 0.982 336 D CA 1.730 55.626 54.000 -0.174 0.000 0.828 336 D CB 0.533 41.320 40.800 -0.022 0.000 0.967 336 D HN 0.704 nan 8.370 nan 0.000 0.464 337 G N -0.235 108.516 108.800 -0.081 0.000 3.345 337 G HA2 0.208 3.955 3.960 -0.356 0.000 0.202 337 G HA3 0.208 3.955 3.960 -0.356 0.000 0.202 337 G C -0.257 174.596 174.900 -0.078 0.000 1.740 337 G CA -0.086 44.983 45.100 -0.051 0.000 0.806 337 G HN 0.013 nan 8.290 nan 0.000 0.718 338 T N 1.104 115.608 114.554 -0.083 0.000 2.799 338 T HA 0.434 4.570 4.350 -0.356 0.000 0.286 338 T C -0.665 173.890 174.700 -0.241 0.000 0.973 338 T CA -0.225 61.763 62.100 -0.188 0.000 1.035 338 T CB 1.689 70.397 68.868 -0.267 0.000 0.932 338 T HN 0.282 nan 8.240 nan 0.000 0.469 339 L N 5.491 126.578 121.223 -0.228 0.000 2.325 339 L HA 0.228 4.355 4.340 -0.356 0.000 0.284 339 L C -0.241 176.482 176.870 -0.244 0.000 1.089 339 L CA -0.009 54.731 54.840 -0.167 0.000 0.836 339 L CB -0.266 41.745 42.059 -0.080 0.000 1.184 339 L HN 0.617 nan 8.230 nan 0.000 0.444 340 H N 6.526 125.617 119.070 0.035 0.000 2.641 340 H HA 0.306 4.648 4.556 -0.356 0.000 0.295 340 H C -0.840 174.588 175.328 0.166 0.000 1.070 340 H CA -0.735 55.428 56.048 0.193 0.000 1.257 340 H CB 1.509 31.318 29.762 0.079 0.000 1.393 340 H HN 0.449 nan 8.280 nan 0.000 0.464 341 L N 4.953 126.356 121.223 0.300 0.000 2.305 341 L HA 0.318 4.444 4.340 -0.356 0.000 0.284 341 L C -1.136 175.893 176.870 0.266 0.000 1.013 341 L CA -0.552 54.398 54.840 0.183 0.000 0.819 341 L CB 0.989 43.092 42.059 0.073 0.000 1.227 341 L HN 0.415 nan 8.230 nan 0.000 0.417 342 L N 6.489 127.851 121.223 0.231 0.000 2.265 342 L HA 0.497 4.624 4.340 -0.356 0.000 0.288 342 L C -0.620 176.380 176.870 0.217 0.000 1.058 342 L CA 0.132 55.165 54.840 0.322 0.000 0.809 342 L CB 0.909 43.166 42.059 0.329 0.000 1.179 342 L HN 0.535 nan 8.230 nan 0.000 0.429 343 L N 3.370 124.673 121.223 0.133 0.000 2.381 343 L HA 0.984 5.111 4.340 -0.356 0.000 0.268 343 L C 0.240 176.775 176.870 -0.560 0.000 0.997 343 L CA -0.551 54.191 54.840 -0.163 0.000 0.818 343 L CB 2.065 44.003 42.059 -0.202 0.000 1.310 343 L HN 0.736 nan 8.230 nan 0.000 0.416 344 G N 0.709 109.074 108.800 -0.724 0.000 2.368 344 G HA2 0.486 4.232 3.960 -0.356 0.000 0.302 344 G HA3 0.486 4.232 3.960 -0.356 0.000 0.302 344 G C -0.584 173.905 174.900 -0.685 0.000 1.329 344 G CA 0.289 44.817 45.100 -0.954 0.000 0.935 344 G HN 1.166 nan 8.290 nan 0.000 0.590 345 G N -0.361 108.194 108.800 -0.409 0.000 2.301 345 G HA2 0.413 4.159 3.960 -0.356 0.000 0.194 345 G HA3 0.413 4.159 3.960 -0.356 0.000 0.194 345 G C -1.140 173.761 174.900 0.001 0.000 1.266 345 G CA 0.836 45.894 45.100 -0.069 0.000 1.210 345 G HN 1.756 nan 8.290 nan 0.000 0.524 346 D N 1.289 121.729 120.400 0.066 0.000 2.380 346 D HA 0.523 4.950 4.640 -0.356 0.000 0.230 346 D C 1.437 177.800 176.300 0.104 0.000 1.154 346 D CA 0.717 54.767 54.000 0.083 0.000 0.859 346 D CB 0.588 41.441 40.800 0.089 0.000 1.045 346 D HN 0.905 nan 8.370 nan 0.000 0.495 347 G N 2.992 111.888 108.800 0.160 0.000 2.848 347 G HA2 -0.132 3.614 3.960 -0.356 0.000 0.208 347 G HA3 -0.132 3.614 3.960 -0.356 0.000 0.208 347 G C 0.628 175.546 174.900 0.029 0.000 1.152 347 G CA -0.219 45.027 45.100 0.243 0.000 0.789 347 G HN 0.721 nan 8.290 nan 0.000 0.531 348 K N -0.383 120.030 120.400 0.020 0.000 3.035 348 K HA -0.225 3.882 4.320 -0.356 0.000 0.262 348 K C 1.031 177.588 176.600 -0.071 0.000 1.024 348 K CA 0.395 56.674 56.287 -0.013 0.000 0.748 348 K CB -1.806 30.685 32.500 -0.014 0.000 1.247 348 K HN 0.287 nan 8.250 nan 0.000 0.482 349 S N -3.122 112.525 115.700 -0.089 0.000 3.358 349 S HA -0.277 3.979 4.470 -0.356 0.000 0.309 349 S C 0.509 174.967 174.600 -0.236 0.000 1.247 349 S CA 0.842 58.962 58.200 -0.133 0.000 0.961 349 S CB -1.204 61.947 63.200 -0.083 0.000 1.074 349 S HN 0.817 nan 8.310 nan 0.000 0.625 350 A N 1.200 123.797 122.820 -0.371 0.000 2.483 350 A HA 0.420 4.527 4.320 -0.356 0.000 0.238 350 A C 0.289 177.463 177.584 -0.682 0.000 1.070 350 A CA 0.106 51.846 52.037 -0.495 0.000 0.770 350 A CB 0.214 18.892 19.000 -0.537 0.000 1.008 350 A HN 0.349 nan 8.150 nan 0.000 0.497 351 D N 1.074 121.217 120.400 -0.427 0.000 2.339 351 D HA 0.327 4.754 4.640 -0.356 0.000 0.241 351 D C -0.051 176.080 176.300 -0.281 0.000 1.183 351 D CA -0.225 53.586 54.000 -0.315 0.000 0.859 351 D CB -0.060 40.657 40.800 -0.139 0.000 1.067 351 D HN 0.288 nan 8.370 nan 0.000 0.484 352 F N 1.749 121.690 119.950 -0.015 0.000 2.780 352 F HA 0.010 4.323 4.527 -0.356 0.000 0.299 352 F C 2.488 178.291 175.800 0.004 0.000 1.146 352 F CA -0.048 57.945 58.000 -0.012 0.000 1.428 352 F CB -0.406 38.581 39.000 -0.021 0.000 1.115 352 F HN 0.314 nan 8.300 nan 0.000 0.583 353 S N 0.966 116.749 115.700 0.138 0.000 2.380 353 S HA -0.198 4.059 4.470 -0.356 0.000 0.229 353 S C -0.331 174.321 174.600 0.088 0.000 1.043 353 S CA 1.636 59.890 58.200 0.090 0.000 1.038 353 S CB -1.357 61.869 63.200 0.043 0.000 0.872 353 S HN 0.276 nan 8.310 nan 0.000 0.456 354 P HA -0.027 nan 4.420 nan 0.000 0.221 354 P C 1.077 178.491 177.300 0.190 0.000 1.145 354 P CA 0.762 63.928 63.100 0.110 0.000 0.795 354 P CB -0.138 31.627 31.700 0.107 0.000 0.775 355 L N -1.382 119.960 121.223 0.198 0.000 2.217 355 L HA -0.102 4.025 4.340 -0.356 0.000 0.211 355 L C 2.411 179.410 176.870 0.215 0.000 1.107 355 L CA 1.071 56.060 54.840 0.249 0.000 0.783 355 L CB -1.091 41.057 42.059 0.148 0.000 0.919 355 L HN -0.019 nan 8.230 nan 0.000 0.442 356 A N 1.607 124.492 122.820 0.109 0.000 1.917 356 A HA -0.259 3.848 4.320 -0.356 0.000 0.219 356 A C 2.340 179.922 177.584 -0.003 0.000 1.182 356 A CA 2.099 54.163 52.037 0.047 0.000 0.633 356 A CB -0.641 18.374 19.000 0.024 0.000 0.819 356 A HN 0.587 nan 8.150 nan 0.000 0.448 357 R N -2.016 118.432 120.500 -0.085 0.000 2.285 357 R HA -0.091 4.035 4.340 -0.356 0.000 0.213 357 R C 1.024 177.118 176.300 -0.343 0.000 1.068 357 R CA 1.601 57.556 56.100 -0.242 0.000 1.004 357 R CB -0.546 29.550 30.300 -0.340 0.000 0.873 357 R HN 0.549 nan 8.270 nan 0.000 0.467 358 Y N 0.434 120.731 120.300 -0.005 0.000 2.482 358 Y HA 0.266 4.603 4.550 -0.356 0.000 0.270 358 Y C 1.253 177.144 175.900 -0.016 0.000 1.152 358 Y CA 0.028 58.123 58.100 -0.008 0.000 1.292 358 Y CB 0.551 39.007 38.460 -0.007 0.000 1.070 358 Y HN -0.034 nan 8.280 nan 0.000 0.528 359 L N -0.169 121.106 121.223 0.085 0.000 2.769 359 L HA 0.197 4.324 4.340 -0.356 0.000 0.240 359 L C -0.003 176.868 176.870 0.002 0.000 1.163 359 L CA -0.243 54.623 54.840 0.042 0.000 0.962 359 L CB -0.203 41.875 42.059 0.032 0.000 1.258 359 L HN 0.080 nan 8.230 nan 0.000 0.513 360 N N 1.172 119.868 118.700 -0.007 0.000 2.381 360 N HA 0.451 4.978 4.740 -0.356 0.000 0.254 360 N C 0.711 176.210 175.510 -0.017 0.000 1.264 360 N CA 0.906 53.945 53.050 -0.019 0.000 0.942 360 N CB 0.930 39.401 38.487 -0.027 0.000 1.190 360 N HN 0.194 nan 8.380 nan 0.000 0.495 361 G N 0.411 109.199 108.800 -0.020 0.000 2.725 361 G HA2 -0.227 3.520 3.960 -0.356 0.000 0.220 361 G HA3 -0.227 3.520 3.960 -0.356 0.000 0.220 361 G C -0.448 174.436 174.900 -0.025 0.000 1.357 361 G CA -0.068 45.021 45.100 -0.019 0.000 0.866 361 G HN 0.541 nan 8.290 nan 0.000 0.548 362 D N 0.430 120.814 120.400 -0.025 0.000 2.367 362 D HA 0.147 4.573 4.640 -0.356 0.000 0.207 362 D C 1.295 177.569 176.300 -0.043 0.000 1.034 362 D CA 0.438 54.420 54.000 -0.029 0.000 0.861 362 D CB 0.169 40.957 40.800 -0.020 0.000 0.943 362 D HN 0.297 nan 8.370 nan 0.000 0.515 363 N N 0.557 119.226 118.700 -0.052 0.000 2.467 363 N HA 0.130 4.657 4.740 -0.356 0.000 0.278 363 N C -1.013 174.430 175.510 -0.110 0.000 1.306 363 N CA 0.064 53.067 53.050 -0.078 0.000 0.905 363 N CB 1.924 40.371 38.487 -0.068 0.000 1.236 363 N HN -0.054 nan 8.380 nan 0.000 0.509 364 V N 1.157 121.009 119.914 -0.103 0.000 2.588 364 V HA 0.486 4.392 4.120 -0.356 0.000 0.304 364 V C -0.150 175.861 176.094 -0.138 0.000 1.042 364 V CA -0.765 61.468 62.300 -0.112 0.000 0.877 364 V CB 2.532 34.318 31.823 -0.063 0.000 0.996 364 V HN 0.071 nan 8.190 nan 0.000 0.425 365 R N 4.475 124.872 120.500 -0.171 0.000 2.621 365 R HA 0.677 4.803 4.340 -0.356 0.000 0.292 365 R C -1.409 174.723 176.300 -0.281 0.000 0.969 365 R CA -0.646 55.318 56.100 -0.226 0.000 0.887 365 R CB 2.415 32.618 30.300 -0.161 0.000 1.180 365 R HN 0.587 nan 8.270 nan 0.000 0.450 366 L N 3.153 124.131 121.223 -0.409 0.000 2.317 366 L HA 0.538 4.664 4.340 -0.356 0.000 0.281 366 L C -0.861 175.683 176.870 -0.544 0.000 1.024 366 L CA -0.936 53.719 54.840 -0.308 0.000 0.810 366 L CB 0.950 42.913 42.059 -0.160 0.000 1.240 366 L HN 0.468 nan 8.230 nan 0.000 0.427 367 Y N 1.202 121.554 120.300 0.087 0.000 2.426 367 Y HA 0.383 4.719 4.550 -0.356 0.000 0.325 367 Y C -0.364 175.654 175.900 0.196 0.000 0.989 367 Y CA -0.733 57.449 58.100 0.136 0.000 1.284 367 Y CB 1.566 40.119 38.460 0.156 0.000 1.104 367 Y HN 0.464 nan 8.280 nan 0.000 0.481 368 C N 5.061 124.497 119.300 0.226 0.000 2.351 368 C HA 0.818 5.064 4.460 -0.356 0.000 0.326 368 C C -0.182 174.921 174.990 0.190 0.000 1.272 368 C CA -1.015 58.066 59.018 0.105 0.000 1.650 368 C CB -1.015 26.699 27.740 -0.043 0.000 2.257 368 C HN 0.774 nan 8.230 nan 0.000 0.505 369 F N 0.239 120.216 119.950 0.045 0.000 2.824 369 F HA 0.955 5.268 4.527 -0.356 0.000 0.330 369 F C 0.439 176.272 175.800 0.055 0.000 1.175 369 F CA -0.097 57.941 58.000 0.062 0.000 0.974 369 F CB 0.317 39.376 39.000 0.098 0.000 1.430 369 F HN 1.143 nan 8.300 nan 0.000 0.507 370 G N 0.670 109.619 108.800 0.249 0.000 2.697 370 G HA2 -0.294 3.453 3.960 -0.356 0.000 0.240 370 G HA3 -0.294 3.453 3.960 -0.356 0.000 0.240 370 G C 0.598 175.521 174.900 0.037 0.000 1.346 370 G CA 0.435 45.616 45.100 0.135 0.000 0.887 370 G HN 1.252 nan 8.290 nan 0.000 0.569 371 R N -0.465 120.056 120.500 0.035 0.000 2.096 371 R HA -0.127 3.999 4.340 -0.356 0.000 0.240 371 R C 1.125 177.437 176.300 0.020 0.000 1.139 371 R CA 2.337 58.456 56.100 0.033 0.000 0.952 371 R CB -0.282 30.044 30.300 0.043 0.000 0.854 371 R HN 0.529 nan 8.270 nan 0.000 0.436 372 D N -1.015 119.383 120.400 -0.003 0.000 2.463 372 D HA 0.116 4.542 4.640 -0.356 0.000 0.224 372 D C 1.073 177.331 176.300 -0.069 0.000 1.174 372 D CA 0.279 54.288 54.000 0.014 0.000 0.829 372 D CB 0.740 41.614 40.800 0.124 0.000 0.993 372 D HN 0.457 nan 8.370 nan 0.000 0.497 373 G N 1.224 109.974 108.800 -0.084 0.000 2.469 373 G HA2 -0.289 3.458 3.960 -0.356 0.000 0.220 373 G HA3 -0.289 3.458 3.960 -0.356 0.000 0.220 373 G C 1.655 176.517 174.900 -0.064 0.000 1.136 373 G CA 1.018 46.058 45.100 -0.101 0.000 0.759 373 G HN 0.378 nan 8.290 nan 0.000 0.562 374 A N 0.153 122.961 122.820 -0.020 0.000 1.902 374 A HA -0.105 4.002 4.320 -0.356 0.000 0.217 374 A C 2.289 179.869 177.584 -0.006 0.000 1.181 374 A CA 2.049 54.083 52.037 -0.006 0.000 0.623 374 A CB -0.533 18.474 19.000 0.011 0.000 0.818 374 A HN 0.467 nan 8.150 nan 0.000 0.443 375 Q N -0.604 119.205 119.800 0.015 0.000 2.124 375 Q HA -0.121 4.006 4.340 -0.356 0.000 0.202 375 Q C 1.939 177.939 176.000 0.001 0.000 0.977 375 Q CA 1.455 57.299 55.803 0.069 0.000 0.850 375 Q CB -0.203 28.653 28.738 0.197 0.000 0.901 375 Q HN 0.688 nan 8.270 nan 0.000 0.429 376 L N -0.206 120.915 121.223 -0.170 0.000 2.072 376 L HA -0.087 4.039 4.340 -0.356 0.000 0.205 376 L C 2.535 179.317 176.870 -0.146 0.000 1.079 376 L CA 0.919 55.582 54.840 -0.296 0.000 0.752 376 L CB -0.533 41.249 42.059 -0.462 0.000 0.906 376 L HN 0.241 nan 8.230 nan 0.000 0.436 377 A N 0.216 122.977 122.820 -0.098 0.000 1.940 377 A HA -0.234 3.873 4.320 -0.356 0.000 0.219 377 A C 2.491 180.049 177.584 -0.043 0.000 1.176 377 A CA 1.740 53.738 52.037 -0.064 0.000 0.631 377 A CB -0.820 18.156 19.000 -0.040 0.000 0.814 377 A HN 0.403 nan 8.150 nan 0.000 0.446 378 A N -0.376 122.429 122.820 -0.024 0.000 2.139 378 A HA -0.069 4.037 4.320 -0.356 0.000 0.221 378 A C 2.036 179.621 177.584 0.000 0.000 1.159 378 A CA 1.440 53.475 52.037 -0.003 0.000 0.662 378 A CB -0.639 18.372 19.000 0.018 0.000 0.796 378 A HN 0.527 nan 8.150 nan 0.000 0.463 379 L N -2.165 119.053 121.223 -0.008 0.000 2.083 379 L HA -0.061 4.065 4.340 -0.356 0.000 0.209 379 L C 1.773 178.638 176.870 -0.009 0.000 1.083 379 L CA 1.350 56.192 54.840 0.002 0.000 0.752 379 L CB -0.078 41.978 42.059 -0.005 0.000 0.899 379 L HN 0.446 nan 8.230 nan 0.000 0.433 380 R N -1.241 119.244 120.500 -0.025 0.000 3.107 380 R HA 0.138 4.265 4.340 -0.356 0.000 0.224 380 R C -2.245 174.031 176.300 -0.040 0.000 1.734 380 R CA -0.862 55.220 56.100 -0.030 0.000 1.303 380 R CB 0.797 31.077 30.300 -0.033 0.000 1.570 380 R HN -0.175 nan 8.270 nan 0.000 0.606 381 P HA -0.233 nan 4.420 nan 0.000 0.218 381 P C 0.987 178.264 177.300 -0.038 0.000 1.146 381 P CA 1.159 64.239 63.100 -0.033 0.000 0.813 381 P CB 0.238 31.926 31.700 -0.020 0.000 0.778 382 E N 0.194 120.373 120.200 -0.035 0.000 2.153 382 E HA -0.114 4.022 4.350 -0.356 0.000 0.194 382 E C 1.430 178.001 176.600 -0.049 0.000 0.988 382 E CA 1.774 58.154 56.400 -0.034 0.000 0.811 382 E CB -0.935 28.749 29.700 -0.027 0.000 0.746 382 E HN 0.281 nan 8.360 nan 0.000 0.466 383 V N -2.030 117.844 119.914 -0.067 0.000 3.271 383 V HA 0.619 4.526 4.120 -0.356 0.000 0.327 383 V C 0.567 176.566 176.094 -0.158 0.000 1.389 383 V CA -0.200 62.041 62.300 -0.099 0.000 1.156 383 V CB 0.012 31.778 31.823 -0.095 0.000 1.103 383 V HN 0.335 nan 8.190 nan 0.000 0.453 384 A N 0.493 123.234 122.820 -0.132 0.000 2.330 384 A HA 0.825 4.932 4.320 -0.356 0.000 0.327 384 A C -0.189 177.318 177.584 -0.128 0.000 1.155 384 A CA -0.570 51.372 52.037 -0.158 0.000 0.803 384 A CB 1.084 20.023 19.000 -0.102 0.000 1.208 384 A HN 0.438 nan 8.150 nan 0.000 0.477 385 E N 1.085 121.194 120.200 -0.152 0.000 2.207 385 E HA 0.360 4.497 4.350 -0.356 0.000 0.270 385 E C -1.003 175.618 176.600 0.035 0.000 0.927 385 E CA -0.539 55.844 56.400 -0.028 0.000 0.799 385 E CB 2.350 32.076 29.700 0.043 0.000 1.172 385 E HN 0.713 nan 8.360 nan 0.000 0.404 386 Q N 1.451 121.287 119.800 0.060 0.000 2.353 386 Q HA 0.433 4.559 4.340 -0.356 0.000 0.268 386 Q C -1.063 175.004 176.000 0.113 0.000 1.045 386 Q CA -0.430 55.425 55.803 0.086 0.000 0.811 386 Q CB 1.638 30.405 28.738 0.047 0.000 1.305 386 Q HN 0.704 nan 8.270 nan 0.000 0.447 387 T N -0.958 113.691 114.554 0.158 0.000 2.864 387 T HA 0.291 4.427 4.350 -0.356 0.000 0.289 387 T C 0.583 175.380 174.700 0.161 0.000 1.082 387 T CA -0.654 61.533 62.100 0.145 0.000 1.009 387 T CB 1.522 70.480 68.868 0.149 0.000 1.234 387 T HN 0.733 nan 8.240 nan 0.000 0.526 388 E N 0.455 120.728 120.200 0.122 0.000 2.051 388 E HA 0.023 4.160 4.350 -0.356 0.000 0.189 388 E C 0.721 177.430 176.600 0.182 0.000 0.979 388 E CA 1.097 57.571 56.400 0.124 0.000 0.803 388 E CB 0.023 29.764 29.700 0.068 0.000 0.761 388 E HN 0.844 nan 8.360 nan 0.000 0.451 389 T N -2.803 111.820 114.554 0.115 0.000 2.942 389 T HA 0.258 4.395 4.350 -0.356 0.000 0.289 389 T C 0.937 175.530 174.700 -0.178 0.000 1.044 389 T CA -0.753 61.371 62.100 0.040 0.000 1.023 389 T CB 1.505 70.353 68.868 -0.032 0.000 1.123 389 T HN 0.109 nan 8.240 nan 0.000 0.512 390 M N 0.326 119.604 119.600 -0.536 0.000 2.159 390 M HA -0.050 4.217 4.480 -0.356 0.000 0.263 390 M C 2.266 178.377 176.300 -0.315 0.000 1.063 390 M CA 1.943 56.672 55.300 -0.952 0.000 1.110 390 M CB -0.380 31.753 32.600 -0.778 0.000 1.374 390 M HN 0.980 nan 8.290 nan 0.000 0.411 391 E N 0.023 120.137 120.200 -0.143 0.000 2.058 391 E HA -0.289 3.847 4.350 -0.356 0.000 0.194 391 E C 1.867 178.427 176.600 -0.066 0.000 0.997 391 E CA 1.919 58.274 56.400 -0.075 0.000 0.801 391 E CB -0.108 29.566 29.700 -0.044 0.000 0.746 391 E HN 0.660 nan 8.360 nan 0.000 0.450 392 Q N -0.208 119.561 119.800 -0.052 0.000 2.135 392 Q HA -0.160 3.967 4.340 -0.356 0.000 0.204 392 Q C 2.167 178.166 176.000 -0.002 0.000 0.981 392 Q CA 1.485 57.279 55.803 -0.014 0.000 0.856 392 Q CB -0.156 28.592 28.738 0.016 0.000 0.902 392 Q HN 0.387 nan 8.270 nan 0.000 0.425 393 A N 0.470 123.282 122.820 -0.014 0.000 1.930 393 A HA -0.140 3.966 4.320 -0.356 0.000 0.217 393 A C 2.011 179.542 177.584 -0.088 0.000 1.175 393 A CA 1.141 53.196 52.037 0.030 0.000 0.627 393 A CB -0.359 18.712 19.000 0.120 0.000 0.815 393 A HN 0.276 nan 8.150 nan 0.000 0.443 394 M N -1.075 118.475 119.600 -0.083 0.000 2.156 394 M HA -0.102 4.165 4.480 -0.356 0.000 0.264 394 M C 2.321 178.576 176.300 -0.075 0.000 1.067 394 M CA 1.332 56.588 55.300 -0.073 0.000 1.131 394 M CB -0.371 32.210 32.600 -0.032 0.000 1.368 394 M HN 0.333 nan 8.290 nan 0.000 0.416 395 R N 0.196 120.661 120.500 -0.058 0.000 2.120 395 R HA -0.116 4.011 4.340 -0.356 0.000 0.234 395 R C 2.144 178.422 176.300 -0.036 0.000 1.123 395 R CA 0.975 57.049 56.100 -0.043 0.000 0.975 395 R CB -0.473 29.807 30.300 -0.033 0.000 0.866 395 R HN 0.244 nan 8.270 nan 0.000 0.446 396 L N 1.281 122.484 121.223 -0.033 0.000 2.044 396 L HA -0.107 4.020 4.340 -0.356 0.000 0.205 396 L C 2.016 178.856 176.870 -0.051 0.000 1.075 396 L CA 1.482 56.325 54.840 0.005 0.000 0.747 396 L CB -0.313 41.800 42.059 0.090 0.000 0.903 396 L HN 0.143 nan 8.230 nan 0.000 0.435 397 L N -1.975 119.092 121.223 -0.259 0.000 2.240 397 L HA 0.252 4.378 4.340 -0.356 0.000 0.211 397 L C 2.440 179.127 176.870 -0.305 0.000 1.106 397 L CA 1.601 56.163 54.840 -0.463 0.000 0.793 397 L CB -1.686 39.666 42.059 -1.179 0.000 0.927 397 L HN 0.075 nan 8.230 nan 0.000 0.446 398 A N 1.074 123.797 122.820 -0.161 0.000 1.892 398 A HA -0.078 4.029 4.320 -0.356 0.000 0.218 398 A C 0.534 178.090 177.584 -0.047 0.000 1.188 398 A CA 2.089 54.104 52.037 -0.037 0.000 0.631 398 A CB -2.117 16.917 19.000 0.056 0.000 0.822 398 A HN 0.496 nan 8.150 nan 0.000 0.447 399 P HA -0.132 nan 4.420 nan 0.000 0.219 399 P C 1.054 178.348 177.300 -0.011 0.000 1.146 399 P CA 1.078 64.177 63.100 -0.002 0.000 0.808 399 P CB -0.098 31.609 31.700 0.012 0.000 0.779 400 R N -1.175 119.297 120.500 -0.047 0.000 2.299 400 R HA 0.121 4.247 4.340 -0.356 0.000 0.197 400 R C 0.222 176.489 176.300 -0.055 0.000 0.971 400 R CA 0.029 56.128 56.100 -0.001 0.000 1.030 400 R CB -0.288 30.070 30.300 0.097 0.000 0.932 400 R HN 0.081 nan 8.270 nan 0.000 0.477 401 V N 3.005 122.798 119.914 -0.202 0.000 2.521 401 V HA -0.002 3.905 4.120 -0.356 0.000 0.286 401 V C 0.233 176.304 176.094 -0.038 0.000 1.034 401 V CA 0.373 62.529 62.300 -0.239 0.000 1.045 401 V CB 1.093 32.691 31.823 -0.375 0.000 0.974 401 V HN 0.164 nan 8.190 nan 0.000 0.480 402 Q N 5.527 125.343 119.800 0.026 0.000 2.348 402 Q HA 0.466 4.592 4.340 -0.356 0.000 0.271 402 Q C -2.571 173.442 176.000 0.023 0.000 1.067 402 Q CA -2.507 53.319 55.803 0.038 0.000 0.839 402 Q CB 1.562 30.332 28.738 0.055 0.000 1.354 402 Q HN 0.377 nan 8.270 nan 0.000 0.447 403 P HA 0.009 nan 4.420 nan 0.000 0.262 403 P C 0.642 177.950 177.300 0.013 0.000 1.182 403 P CA 1.350 64.460 63.100 0.017 0.000 0.761 403 P CB 0.276 31.988 31.700 0.020 0.000 0.795 404 G N 1.860 110.664 108.800 0.007 0.000 2.234 404 G HA2 -0.185 3.561 3.960 -0.356 0.000 0.235 404 G HA3 -0.185 3.561 3.960 -0.356 0.000 0.235 404 G C 0.059 174.947 174.900 -0.019 0.000 0.997 404 G CA -0.246 44.854 45.100 0.000 0.000 0.623 404 G HN 0.494 nan 8.290 nan 0.000 0.514 405 D N 0.255 120.646 120.400 -0.015 0.000 2.358 405 D HA 0.566 4.992 4.640 -0.356 0.000 0.244 405 D C 0.622 176.884 176.300 -0.063 0.000 1.163 405 D CA 0.143 54.136 54.000 -0.012 0.000 0.945 405 D CB 0.936 41.782 40.800 0.077 0.000 1.152 405 D HN 0.387 nan 8.370 nan 0.000 0.451 406 M N 0.865 120.433 119.600 -0.053 0.000 2.393 406 M HA 0.411 4.677 4.480 -0.356 0.000 0.316 406 M C -1.772 174.459 176.300 -0.115 0.000 1.087 406 M CA -0.780 54.459 55.300 -0.102 0.000 0.937 406 M CB 1.669 34.238 32.600 -0.051 0.000 1.668 406 M HN -0.019 nan 8.290 nan 0.000 0.438 407 V N 5.695 125.438 119.914 -0.284 0.000 2.357 407 V HA 0.466 4.373 4.120 -0.356 0.000 0.284 407 V C -1.018 175.063 176.094 -0.021 0.000 1.018 407 V CA -0.723 61.441 62.300 -0.228 0.000 0.841 407 V CB 1.364 32.770 31.823 -0.695 0.000 0.991 407 V HN 0.737 nan 8.190 nan 0.000 0.437 408 L N 6.702 127.926 121.223 0.001 0.000 2.343 408 L HA 0.621 4.748 4.340 -0.356 0.000 0.278 408 L C -0.763 176.032 176.870 -0.125 0.000 0.996 408 L CA -0.478 54.309 54.840 -0.088 0.000 0.831 408 L CB 1.510 43.528 42.059 -0.068 0.000 1.232 408 L HN 0.626 nan 8.230 nan 0.000 0.413 409 L N 4.673 125.648 121.223 -0.413 0.000 2.312 409 L HA 0.527 4.654 4.340 -0.356 0.000 0.287 409 L C -0.083 176.632 176.870 -0.258 0.000 1.091 409 L CA 0.803 55.395 54.840 -0.415 0.000 0.846 409 L CB 0.654 42.133 42.059 -0.966 0.000 1.219 409 L HN 0.727 nan 8.230 nan 0.000 0.439 410 S N 6.485 122.119 115.700 -0.109 0.000 2.317 410 S HA 0.464 4.720 4.470 -0.356 0.000 0.144 410 S C -2.014 172.550 174.600 -0.059 0.000 1.660 410 S CA -0.750 57.404 58.200 -0.077 0.000 1.273 410 S CB 0.510 63.685 63.200 -0.042 0.000 1.330 410 S HN 0.580 nan 8.310 nan 0.000 0.395 411 P HA 0.161 nan 4.420 nan 0.000 0.229 411 P C 0.846 178.077 177.300 -0.114 0.000 1.160 411 P CA 1.148 64.202 63.100 -0.076 0.000 0.777 411 P CB -0.087 31.596 31.700 -0.029 0.000 0.814 412 A N -2.783 120.000 122.820 -0.061 0.000 2.945 412 A HA -0.210 3.896 4.320 -0.356 0.000 0.263 412 A C 0.456 178.084 177.584 0.073 0.000 1.293 412 A CA 1.131 53.169 52.037 0.001 0.000 0.944 412 A CB -2.606 16.409 19.000 0.026 0.000 1.093 412 A HN 0.393 nan 8.150 nan 0.000 0.786 413 C N -1.546 117.763 119.300 0.016 0.000 3.090 413 C HA 0.816 5.063 4.460 -0.356 0.000 0.305 413 C C 0.985 175.998 174.990 0.038 0.000 1.292 413 C CA -0.633 58.414 59.018 0.048 0.000 1.482 413 C CB 1.460 29.207 27.740 0.012 0.000 1.897 413 C HN 1.720 nan 8.230 nan 0.000 0.469 414 A N 1.140 123.999 122.820 0.065 0.000 2.448 414 A HA 0.451 4.557 4.320 -0.356 0.000 0.239 414 A C 1.108 178.779 177.584 0.146 0.000 1.080 414 A CA 0.607 52.708 52.037 0.107 0.000 0.779 414 A CB 0.109 19.184 19.000 0.125 0.000 1.026 414 A HN 1.503 nan 8.150 nan 0.000 0.499 415 S N 0.474 116.290 115.700 0.194 0.000 2.556 415 S HA 0.102 4.358 4.470 -0.356 0.000 0.216 415 S C 1.149 175.957 174.600 0.348 0.000 0.970 415 S CA 0.128 58.508 58.200 0.301 0.000 0.912 415 S CB -0.353 62.972 63.200 0.208 0.000 0.790 415 S HN 0.564 nan 8.310 nan 0.000 0.504 416 L N 2.387 123.745 121.223 0.226 0.000 2.456 416 L HA -0.037 4.090 4.340 -0.356 0.000 0.224 416 L C 2.191 179.143 176.870 0.137 0.000 1.148 416 L CA 1.144 56.090 54.840 0.177 0.000 0.825 416 L CB -0.599 41.544 42.059 0.141 0.000 0.937 416 L HN 0.466 nan 8.230 nan 0.000 0.450 417 D N -0.465 120.019 120.400 0.140 0.000 2.269 417 D HA -0.206 4.220 4.640 -0.356 0.000 0.208 417 D C 1.594 177.924 176.300 0.049 0.000 0.963 417 D CA 1.044 55.097 54.000 0.088 0.000 0.864 417 D CB 0.115 40.966 40.800 0.086 0.000 0.936 417 D HN 0.430 nan 8.370 nan 0.000 0.505 418 Q N -1.786 118.045 119.800 0.051 0.000 2.123 418 Q HA 0.236 4.363 4.340 -0.356 0.000 0.244 418 Q C -0.548 175.212 176.000 -0.400 0.000 0.769 418 Q CA -0.154 55.535 55.803 -0.191 0.000 0.938 418 Q CB 1.348 29.918 28.738 -0.279 0.000 1.170 418 Q HN 0.093 nan 8.270 nan 0.000 0.469 419 F N -0.219 119.772 119.950 0.067 0.000 2.611 419 F HA 0.373 4.687 4.527 -0.356 0.000 0.324 419 F C 0.981 176.799 175.800 0.029 0.000 1.061 419 F CA -1.032 56.996 58.000 0.046 0.000 0.954 419 F CB 1.181 40.216 39.000 0.059 0.000 1.301 419 F HN -0.377 nan 8.300 nan 0.000 0.482 420 K N 0.913 121.441 120.400 0.214 0.000 2.057 420 K HA -0.062 4.044 4.320 -0.356 0.000 0.207 420 K C -0.150 176.498 176.600 0.080 0.000 1.049 420 K CA 1.288 57.638 56.287 0.106 0.000 0.931 420 K CB -0.614 31.919 32.500 0.055 0.000 0.714 420 K HN 0.844 nan 8.250 nan 0.000 0.440 421 N N -2.203 116.528 118.700 0.052 0.000 3.227 421 N HA 0.020 4.547 4.740 -0.356 0.000 0.241 421 N C 0.548 175.977 175.510 -0.135 0.000 1.480 421 N CA -0.643 52.383 53.050 -0.039 0.000 0.886 421 N CB -0.252 38.123 38.487 -0.187 0.000 1.406 421 N HN -0.089 nan 8.380 nan 0.000 0.514 422 F N -0.877 119.016 119.950 -0.094 0.000 2.307 422 F HA 0.165 4.478 4.527 -0.357 0.000 0.301 422 F C 1.338 176.914 175.800 -0.373 0.000 1.076 422 F CA 0.990 58.870 58.000 -0.199 0.000 1.383 422 F CB -0.487 38.432 39.000 -0.134 0.000 1.055 422 F HN 0.537 nan 8.300 nan 0.000 0.526 423 E N 0.615 120.109 120.200 -1.178 0.000 2.072 423 E HA -0.214 3.923 4.350 -0.356 0.000 0.191 423 E C 2.260 178.569 176.600 -0.484 0.000 0.985 423 E CA 1.361 57.097 56.400 -1.107 0.000 0.801 423 E CB -0.461 28.734 29.700 -0.840 0.000 0.750 423 E HN 0.659 nan 8.360 nan 0.000 0.452 424 Q N 0.734 120.356 119.800 -0.296 0.000 2.084 424 Q HA -0.228 3.898 4.340 -0.356 0.000 0.202 424 Q C 2.290 178.202 176.000 -0.147 0.000 0.978 424 Q CA 1.468 57.215 55.803 -0.093 0.000 0.844 424 Q CB 0.008 28.779 28.738 0.055 0.000 0.898 424 Q HN 0.112 nan 8.270 nan 0.000 0.426 425 R N -0.621 119.599 120.500 -0.467 0.000 2.083 425 R HA -0.135 3.991 4.340 -0.356 0.000 0.237 425 R C 2.191 178.330 176.300 -0.270 0.000 1.137 425 R CA 1.654 57.223 56.100 -0.884 0.000 0.951 425 R CB -0.620 29.020 30.300 -1.101 0.000 0.851 425 R HN 0.380 nan 8.270 nan 0.000 0.434 426 G N 0.706 109.450 108.800 -0.094 0.000 2.418 426 G HA2 -0.276 3.471 3.960 -0.356 0.000 0.217 426 G HA3 -0.276 3.471 3.960 -0.356 0.000 0.217 426 G C 1.132 176.199 174.900 0.278 0.000 1.158 426 G CA 0.797 46.031 45.100 0.223 0.000 0.771 426 G HN 0.339 nan 8.290 nan 0.000 0.545 427 N N 0.655 119.483 118.700 0.214 0.000 2.120 427 N HA -0.091 4.436 4.740 -0.356 0.000 0.188 427 N C 2.080 177.648 175.510 0.096 0.000 1.024 427 N CA 1.395 54.535 53.050 0.151 0.000 0.852 427 N CB -0.350 38.201 38.487 0.107 0.000 1.003 427 N HN 0.377 nan 8.380 nan 0.000 0.424 428 E N 0.403 120.660 120.200 0.095 0.000 2.077 428 E HA -0.104 4.033 4.350 -0.356 0.000 0.193 428 E C 1.761 178.410 176.600 0.080 0.000 0.989 428 E CA 0.670 57.129 56.400 0.099 0.000 0.800 428 E CB -0.411 29.406 29.700 0.196 0.000 0.746 428 E HN 0.357 nan 8.360 nan 0.000 0.452 429 F N 0.533 120.471 119.950 -0.020 0.000 2.095 429 F HA -0.164 4.149 4.527 -0.356 0.000 0.298 429 F C 2.016 177.796 175.800 -0.033 0.000 1.104 429 F CA 1.851 59.841 58.000 -0.017 0.000 1.232 429 F CB -0.613 38.388 39.000 0.001 0.000 0.987 429 F HN 0.100 nan 8.300 nan 0.000 0.475 430 A N 0.764 123.610 122.820 0.043 0.000 1.902 430 A HA -0.211 3.895 4.320 -0.356 0.000 0.217 430 A C 2.389 179.836 177.584 -0.228 0.000 1.181 430 A CA 1.725 53.699 52.037 -0.105 0.000 0.623 430 A CB -0.951 18.064 19.000 0.025 0.000 0.818 430 A HN 0.515 nan 8.150 nan 0.000 0.443 431 R N -0.371 120.040 120.500 -0.149 0.000 2.083 431 R HA -0.115 4.011 4.340 -0.356 0.000 0.237 431 R C 1.967 178.117 176.300 -0.251 0.000 1.137 431 R CA 1.862 57.864 56.100 -0.162 0.000 0.951 431 R CB -0.421 29.826 30.300 -0.088 0.000 0.851 431 R HN 0.520 nan 8.270 nan 0.000 0.434 432 L N 0.102 121.157 121.223 -0.280 0.000 2.093 432 L HA -0.060 4.067 4.340 -0.356 0.000 0.208 432 L C 2.722 179.265 176.870 -0.544 0.000 1.085 432 L CA 1.035 55.679 54.840 -0.326 0.000 0.755 432 L CB -0.479 41.439 42.059 -0.236 0.000 0.904 432 L HN 0.323 nan 8.230 nan 0.000 0.435 433 A N 0.382 122.739 122.820 -0.771 0.000 1.883 433 A HA -0.233 3.873 4.320 -0.356 0.000 0.217 433 A C 2.339 179.283 177.584 -1.067 0.000 1.186 433 A CA 1.770 53.074 52.037 -1.221 0.000 0.624 433 A CB -0.350 18.014 19.000 -1.061 0.000 0.822 433 A HN 0.319 nan 8.150 nan 0.000 0.444 434 K N -0.677 119.332 120.400 -0.651 0.000 2.097 434 K HA -0.160 3.946 4.320 -0.356 0.000 0.206 434 K C 2.162 178.506 176.600 -0.426 0.000 1.049 434 K CA 1.418 57.411 56.287 -0.490 0.000 0.933 434 K CB -0.110 32.193 32.500 -0.329 0.000 0.717 434 K HN 0.729 nan 8.250 nan 0.000 0.442 435 E N 1.109 121.081 120.200 -0.380 0.000 2.028 435 E HA -0.153 3.983 4.350 -0.356 0.000 0.191 435 E C 1.877 178.296 176.600 -0.302 0.000 0.988 435 E CA 0.899 57.129 56.400 -0.283 0.000 0.799 435 E CB 0.099 29.667 29.700 -0.220 0.000 0.755 435 E HN 0.207 nan 8.360 nan 0.000 0.447 436 L N -0.325 120.659 121.223 -0.398 0.000 2.341 436 L HA 0.120 4.247 4.340 -0.356 0.000 0.214 436 L C 2.266 178.940 176.870 -0.327 0.000 1.115 436 L CA 0.649 55.301 54.840 -0.312 0.000 0.820 436 L CB 0.061 41.974 42.059 -0.245 0.000 0.944 436 L HN 0.198 nan 8.230 nan 0.000 0.452 437 G N -1.283 107.151 108.800 -0.611 0.000 2.985 437 G HA2 0.057 3.804 3.960 -0.356 0.000 0.209 437 G HA3 0.057 3.804 3.960 -0.356 0.000 0.209 437 G C 0.397 175.192 174.900 -0.176 0.000 1.165 437 G CA 0.061 44.913 45.100 -0.413 0.000 0.776 437 G HN 0.165 nan 8.290 nan 0.000 0.541 438 S N -0.847 114.705 115.700 -0.247 0.000 2.536 438 S HA 0.410 4.667 4.470 -0.356 0.000 0.298 438 S C 0.530 174.996 174.600 -0.223 0.000 1.083 438 S CA -0.711 57.374 58.200 -0.192 0.000 0.995 438 S CB 1.308 64.370 63.200 -0.231 0.000 1.058 438 S HN 0.312 nan 8.310 nan 0.000 0.488 439 H N 1.572 120.674 119.070 0.053 0.000 2.403 439 H HA 0.176 4.519 4.556 -0.356 0.000 0.298 439 H C 1.247 176.572 175.328 -0.004 0.000 1.059 439 H CA 1.578 57.638 56.048 0.020 0.000 1.363 439 H CB -0.049 29.731 29.762 0.029 0.000 1.410 439 H HN 0.855 nan 8.280 nan 0.000 0.528 440 H N 0.000 119.129 119.070 0.098 0.000 2.539 440 H HA 0.000 4.343 4.556 -0.356 0.000 0.296 440 H CA 0.000 nan 56.048 nan 0.000 1.023 440 H CB 0.000 nan 29.762 nan 0.000 1.292 440 H HN 0.000 nan 8.280 nan 0.000 0.496