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 1ses_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVDLKRLRQE PEVFHRAIRE KGVALDLEAL LALDREVQEL KKRLQEVQTE DATA SEQUENCE RNQVAKRVPK APPEEKEALI ARGKALGEEA KRLEEALREK EARLEALLLQ DATA SEQUENCE VPLPPWPGAP VGGEEANREI KRVGGPPEFS FPPLDHVALM EKNGWWEPRI DATA SEQUENCE SQVSGSRSYA LKGDLALYEL ALLRFAMDFM ARRGFLPMTL PSYAREKAFL DATA SEQUENCE GTGHFPAYRD QVWAIAETDL YLTGTAEVVL NALHSGEILP YEALPLRYAG DATA SEQUENCE YAPAFRSEAG SFGKDVRGLM RVHQFHKVEQ YVLTEASLEA SDRAFQELLE DATA SEQUENCE NAEEILRLLE LPYRLVEVAT GDMGPGKWRQ VDIEVYLPSE GRYRETHSCS DATA SEQUENCE ALLDWQARRA NLRYRDPEGR VRYAYTLNNT ALATPRILAM LLENHQLQDG DATA SEQUENCE RVRVPQALIP YMGKEVLEPC G 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.074 176.300 -0.377 0.000 1.140 1 M CA 0.000 54.929 55.300 -0.618 0.000 0.988 1 M CB 0.000 32.314 32.600 -0.477 0.000 1.302 2 V N 0.323 120.147 119.914 -0.149 0.000 2.973 2 V HA 0.738 4.858 4.120 -0.001 0.000 0.314 2 V C -0.005 176.049 176.094 -0.066 0.000 1.066 2 V CA -0.619 61.681 62.300 0.001 0.000 1.021 2 V CB 1.673 33.543 31.823 0.078 0.000 1.076 2 V HN 0.857 nan 8.190 nan 0.000 0.462 3 D N 1.481 121.885 120.400 0.006 0.000 2.346 3 D HA 0.057 4.697 4.640 -0.001 0.000 0.267 3 D C 1.043 177.317 176.300 -0.044 0.000 1.320 3 D CA 0.359 54.362 54.000 0.004 0.000 0.951 3 D CB 0.462 41.311 40.800 0.081 0.000 1.079 3 D HN 0.696 nan 8.370 nan 0.000 0.509 4 L N 3.747 124.928 121.223 -0.069 0.000 2.197 4 L HA -0.212 4.128 4.340 -0.001 0.000 0.215 4 L C 2.258 179.097 176.870 -0.051 0.000 1.095 4 L CA 1.241 56.028 54.840 -0.089 0.000 0.764 4 L CB -0.067 41.956 42.059 -0.060 0.000 0.897 4 L HN 0.473 nan 8.230 nan 0.000 0.436 5 K N -0.568 119.829 120.400 -0.005 0.000 2.057 5 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 5 K C 2.162 178.791 176.600 0.048 0.000 1.050 5 K CA 0.801 57.102 56.287 0.023 0.000 0.935 5 K CB 0.135 32.658 32.500 0.038 0.000 0.715 5 K HN 0.183 nan 8.250 nan 0.000 0.439 6 R N 0.750 121.298 120.500 0.080 0.000 2.115 6 R HA -0.077 4.262 4.340 -0.001 0.000 0.226 6 R C 2.220 178.642 176.300 0.204 0.000 1.100 6 R CA 0.506 56.714 56.100 0.180 0.000 0.980 6 R CB -0.823 29.648 30.300 0.286 0.000 0.875 6 R HN 0.219 nan 8.270 nan 0.000 0.445 7 L N 1.376 122.551 121.223 -0.081 0.000 2.083 7 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 7 L C 2.088 178.919 176.870 -0.065 0.000 1.083 7 L CA 1.756 56.380 54.840 -0.359 0.000 0.752 7 L CB -0.242 41.523 42.059 -0.491 0.000 0.899 7 L HN -0.013 nan 8.230 nan 0.000 0.433 8 R N -0.791 119.701 120.500 -0.015 0.000 2.093 8 R HA -0.064 4.275 4.340 -0.001 0.000 0.224 8 R C 2.028 178.365 176.300 0.062 0.000 1.101 8 R CA 1.380 57.492 56.100 0.021 0.000 0.979 8 R CB -0.222 30.084 30.300 0.010 0.000 0.877 8 R HN 0.649 nan 8.270 nan 0.000 0.441 9 Q N 0.183 120.034 119.800 0.086 0.000 2.402 9 Q HA 0.015 4.354 4.340 -0.001 0.000 0.206 9 Q C 0.135 176.207 176.000 0.119 0.000 0.919 9 Q CA 0.827 56.684 55.803 0.089 0.000 0.923 9 Q CB 0.469 29.254 28.738 0.077 0.000 1.048 9 Q HN 0.262 nan 8.270 nan 0.000 0.515 10 E N 1.448 121.762 120.200 0.190 0.000 2.989 10 E HA 0.129 4.479 4.350 -0.001 0.000 0.207 10 E C -1.923 174.849 176.600 0.286 0.000 0.989 10 E CA -1.548 54.976 56.400 0.206 0.000 1.186 10 E CB 0.900 30.723 29.700 0.205 0.000 1.141 10 E HN 0.246 nan 8.360 nan 0.000 0.454 11 P HA -0.206 nan 4.420 nan 0.000 0.219 11 P C 0.542 178.024 177.300 0.302 0.000 1.146 11 P CA 1.211 64.499 63.100 0.313 0.000 0.808 11 P CB 0.382 32.187 31.700 0.175 0.000 0.779 12 E N 0.103 120.413 120.200 0.183 0.000 2.077 12 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 12 E C 2.189 178.855 176.600 0.109 0.000 0.989 12 E CA 0.700 57.181 56.400 0.136 0.000 0.800 12 E CB -1.707 28.033 29.700 0.066 0.000 0.746 12 E HN 0.058 nan 8.360 nan 0.000 0.452 13 V N 0.468 120.397 119.914 0.025 0.000 2.287 13 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 13 V C 1.850 177.785 176.094 -0.264 0.000 1.053 13 V CA 1.841 64.041 62.300 -0.168 0.000 1.027 13 V CB -0.510 31.122 31.823 -0.320 0.000 0.646 13 V HN 0.200 nan 8.190 nan 0.000 0.447 14 F N -0.945 119.058 119.950 0.088 0.000 2.407 14 F HA -0.044 4.483 4.527 -0.001 0.000 0.299 14 F C 2.290 178.117 175.800 0.045 0.000 1.097 14 F CA 1.592 59.635 58.000 0.071 0.000 1.422 14 F CB -0.581 38.467 39.000 0.079 0.000 1.067 14 F HN 0.223 nan 8.300 nan 0.000 0.539 15 H N -0.331 118.835 119.070 0.160 0.000 2.372 15 H HA 0.001 4.556 4.556 -0.001 0.000 0.301 15 H C 2.550 177.905 175.328 0.046 0.000 1.065 15 H CA 1.463 57.571 56.048 0.099 0.000 1.364 15 H CB 0.074 29.882 29.762 0.076 0.000 1.406 15 H HN -0.032 nan 8.280 nan 0.000 0.521 16 R N 0.056 120.609 120.500 0.090 0.000 2.080 16 R HA -0.166 4.173 4.340 -0.001 0.000 0.236 16 R C 2.366 178.646 176.300 -0.034 0.000 1.137 16 R CA 1.324 57.436 56.100 0.019 0.000 0.943 16 R CB -0.474 29.821 30.300 -0.008 0.000 0.846 16 R HN 0.385 nan 8.270 nan 0.000 0.431 17 A N 1.191 123.982 122.820 -0.049 0.000 1.903 17 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 17 A C 2.198 179.765 177.584 -0.030 0.000 1.191 17 A CA 1.805 53.816 52.037 -0.044 0.000 0.638 17 A CB -0.659 18.322 19.000 -0.032 0.000 0.823 17 A HN 0.402 nan 8.150 nan 0.000 0.451 18 I N -1.401 119.142 120.570 -0.044 0.000 2.226 18 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 18 I C 2.867 178.928 176.117 -0.094 0.000 1.100 18 I CA 1.449 62.703 61.300 -0.077 0.000 1.374 18 I CB -0.356 37.547 38.000 -0.162 0.000 1.057 18 I HN 0.322 nan 8.210 nan 0.000 0.413 19 R N 0.802 121.233 120.500 -0.115 0.000 2.064 19 R HA -0.149 4.191 4.340 -0.001 0.000 0.228 19 R C 2.227 178.502 176.300 -0.043 0.000 1.144 19 R CA 1.561 57.622 56.100 -0.065 0.000 0.932 19 R CB -0.358 29.924 30.300 -0.030 0.000 0.833 19 R HN 0.353 nan 8.270 nan 0.000 0.429 20 E N 0.548 120.722 120.200 -0.044 0.000 2.171 20 E HA -0.208 4.141 4.350 -0.001 0.000 0.197 20 E C 1.637 178.210 176.600 -0.045 0.000 0.997 20 E CA 1.190 57.561 56.400 -0.048 0.000 0.810 20 E CB 0.039 29.700 29.700 -0.065 0.000 0.738 20 E HN 0.256 nan 8.360 nan 0.000 0.467 21 K N -0.540 119.835 120.400 -0.042 0.000 2.426 21 K HA 0.064 4.384 4.320 -0.001 0.000 0.193 21 K C 0.707 177.293 176.600 -0.025 0.000 1.028 21 K CA 0.446 56.712 56.287 -0.035 0.000 1.047 21 K CB 0.707 33.185 32.500 -0.036 0.000 0.821 21 K HN 0.200 nan 8.250 nan 0.000 0.513 22 G N 2.020 110.804 108.800 -0.027 0.000 2.314 22 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.292 22 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.292 22 G C -0.098 174.792 174.900 -0.017 0.000 1.059 22 G CA -0.084 45.004 45.100 -0.020 0.000 0.982 22 G HN 0.102 nan 8.290 nan 0.000 0.505 23 V N 0.177 120.078 119.914 -0.022 0.000 2.509 23 V HA 0.650 4.770 4.120 -0.001 0.000 0.284 23 V C 1.136 177.220 176.094 -0.016 0.000 1.047 23 V CA 0.052 62.343 62.300 -0.015 0.000 0.952 23 V CB 1.769 33.591 31.823 -0.001 0.000 0.988 23 V HN 1.168 nan 8.190 nan 0.000 0.469 24 A N 5.780 128.594 122.820 -0.010 0.000 3.077 24 A HA 0.486 4.806 4.320 -0.001 0.000 0.255 24 A C -0.402 177.181 177.584 -0.002 0.000 1.728 24 A CA 0.154 52.188 52.037 -0.006 0.000 1.383 24 A CB -0.810 18.188 19.000 -0.004 0.000 1.097 24 A HN 0.637 nan 8.150 nan 0.000 0.634 25 L N 0.675 121.894 121.223 -0.006 0.000 2.372 25 L HA 0.429 4.769 4.340 -0.001 0.000 0.274 25 L C -0.862 176.012 176.870 0.007 0.000 0.988 25 L CA -0.451 54.391 54.840 0.003 0.000 0.833 25 L CB 1.788 43.853 42.059 0.010 0.000 1.236 25 L HN 0.308 nan 8.230 nan 0.000 0.410 26 D N 4.077 124.492 120.400 0.025 0.000 2.359 26 D HA 0.015 4.654 4.640 -0.001 0.000 0.250 26 D C 0.961 177.301 176.300 0.066 0.000 1.264 26 D CA -0.015 54.015 54.000 0.050 0.000 0.911 26 D CB 0.970 41.796 40.800 0.044 0.000 1.056 26 D HN 0.615 nan 8.370 nan 0.000 0.499 27 L N 4.683 125.971 121.223 0.108 0.000 2.141 27 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 27 L C 2.047 178.986 176.870 0.115 0.000 1.094 27 L CA 1.766 56.684 54.840 0.130 0.000 0.763 27 L CB -0.389 41.820 42.059 0.250 0.000 0.908 27 L HN 0.467 nan 8.230 nan 0.000 0.437 28 E N -0.554 119.714 120.200 0.113 0.000 2.072 28 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 28 E C 2.029 178.655 176.600 0.044 0.000 0.985 28 E CA 1.303 57.742 56.400 0.065 0.000 0.801 28 E CB -1.010 28.717 29.700 0.045 0.000 0.750 28 E HN 0.326 nan 8.360 nan 0.000 0.452 29 A N 1.042 123.888 122.820 0.043 0.000 1.978 29 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 29 A C 2.245 179.841 177.584 0.020 0.000 1.170 29 A CA 1.454 53.508 52.037 0.028 0.000 0.636 29 A CB -0.727 18.289 19.000 0.026 0.000 0.810 29 A HN 0.377 nan 8.150 nan 0.000 0.448 30 L N -0.938 120.299 121.223 0.023 0.000 2.068 30 L HA 0.021 4.361 4.340 -0.001 0.000 0.204 30 L C 2.279 179.151 176.870 0.002 0.000 1.076 30 L CA 1.074 55.919 54.840 0.008 0.000 0.753 30 L CB -0.196 41.864 42.059 0.002 0.000 0.910 30 L HN 0.359 nan 8.230 nan 0.000 0.439 31 L N -0.085 121.144 121.223 0.011 0.000 2.191 31 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 31 L C 2.744 179.618 176.870 0.007 0.000 1.103 31 L CA 0.898 55.742 54.840 0.006 0.000 0.769 31 L CB -0.769 41.303 42.059 0.021 0.000 0.908 31 L HN 0.381 nan 8.230 nan 0.000 0.438 32 A N 0.020 122.847 122.820 0.011 0.000 1.855 32 A HA -0.206 4.114 4.320 -0.001 0.000 0.215 32 A C 2.169 179.756 177.584 0.005 0.000 1.191 32 A CA 1.451 53.494 52.037 0.009 0.000 0.613 32 A CB -0.685 18.322 19.000 0.011 0.000 0.829 32 A HN 0.286 nan 8.150 nan 0.000 0.442 33 L N 0.689 121.914 121.223 0.004 0.000 2.083 33 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 33 L C 1.955 178.824 176.870 -0.003 0.000 1.083 33 L CA 2.755 57.595 54.840 0.001 0.000 0.752 33 L CB -0.770 41.289 42.059 0.000 0.000 0.899 33 L HN 0.591 nan 8.230 nan 0.000 0.433 34 D N -0.803 119.593 120.400 -0.006 0.000 2.097 34 D HA -0.285 4.354 4.640 -0.001 0.000 0.195 34 D C 2.284 178.581 176.300 -0.005 0.000 0.989 34 D CA 1.401 55.395 54.000 -0.010 0.000 0.827 34 D CB -0.125 40.665 40.800 -0.017 0.000 0.966 34 D HN 0.169 nan 8.370 nan 0.000 0.456 35 R N 0.811 121.311 120.500 -0.001 0.000 2.081 35 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 35 R C 2.139 178.440 176.300 0.001 0.000 1.131 35 R CA 1.815 57.916 56.100 0.001 0.000 0.960 35 R CB -0.659 29.644 30.300 0.004 0.000 0.856 35 R HN 0.336 nan 8.270 nan 0.000 0.436 36 E N -0.664 119.537 120.200 0.002 0.000 2.085 36 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 36 E C 1.876 178.477 176.600 0.001 0.000 0.994 36 E CA 1.662 58.063 56.400 0.002 0.000 0.801 36 E CB -0.045 29.656 29.700 0.002 0.000 0.743 36 E HN 0.137 nan 8.360 nan 0.000 0.453 37 V N 1.294 121.208 119.914 -0.001 0.000 2.427 37 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 37 V C 2.276 178.370 176.094 -0.001 0.000 1.051 37 V CA 1.451 63.751 62.300 -0.001 0.000 1.048 37 V CB -0.360 31.461 31.823 -0.003 0.000 0.666 37 V HN 0.243 nan 8.190 nan 0.000 0.456 38 Q N 0.487 120.287 119.800 -0.001 0.000 2.079 38 Q HA -0.221 4.119 4.340 -0.001 0.000 0.200 38 Q C 2.255 178.256 176.000 0.002 0.000 0.974 38 Q CA 2.025 57.828 55.803 0.000 0.000 0.840 38 Q CB -0.436 28.303 28.738 0.001 0.000 0.898 38 Q HN 0.955 nan 8.270 nan 0.000 0.430 39 E N 0.035 120.236 120.200 0.002 0.000 2.150 39 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 39 E C 1.799 178.400 176.600 0.002 0.000 0.985 39 E CA 0.699 57.100 56.400 0.002 0.000 0.814 39 E CB -0.338 29.363 29.700 0.003 0.000 0.752 39 E HN 0.066 nan 8.360 nan 0.000 0.466 40 L N 1.334 122.558 121.223 0.002 0.000 2.046 40 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 40 L C 2.326 179.197 176.870 0.002 0.000 1.077 40 L CA 1.763 56.604 54.840 0.002 0.000 0.747 40 L CB -0.555 41.505 42.059 0.002 0.000 0.896 40 L HN 0.063 nan 8.230 nan 0.000 0.432 41 K N -0.661 119.740 120.400 0.002 0.000 2.057 41 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 41 K C 2.187 178.788 176.600 0.002 0.000 1.050 41 K CA 1.201 57.489 56.287 0.002 0.000 0.935 41 K CB -0.065 32.436 32.500 0.002 0.000 0.715 41 K HN 0.178 nan 8.250 nan 0.000 0.439 42 K N 0.760 121.161 120.400 0.002 0.000 2.026 42 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 42 K C 2.234 178.835 176.600 0.002 0.000 1.048 42 K CA 1.136 57.425 56.287 0.002 0.000 0.929 42 K CB 0.073 32.574 32.500 0.003 0.000 0.713 42 K HN -0.050 nan 8.250 nan 0.000 0.439 43 R N 0.840 121.341 120.500 0.002 0.000 2.081 43 R HA -0.073 4.267 4.340 -0.001 0.000 0.235 43 R C 2.394 178.695 176.300 0.002 0.000 1.131 43 R CA 1.020 57.121 56.100 0.002 0.000 0.960 43 R CB -0.661 29.641 30.300 0.002 0.000 0.856 43 R HN 0.324 nan 8.270 nan 0.000 0.436 44 L N 0.718 121.943 121.223 0.002 0.000 2.079 44 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 44 L C 2.465 179.337 176.870 0.002 0.000 1.081 44 L CA 1.364 56.206 54.840 0.002 0.000 0.752 44 L CB -0.193 41.867 42.059 0.002 0.000 0.896 44 L HN 0.164 nan 8.230 nan 0.000 0.433 45 Q N 0.056 119.857 119.800 0.002 0.000 2.002 45 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 45 Q C 2.023 178.024 176.000 0.002 0.000 0.988 45 Q CA 2.051 57.855 55.803 0.002 0.000 0.843 45 Q CB -0.123 28.616 28.738 0.002 0.000 0.908 45 Q HN 0.442 nan 8.270 nan 0.000 0.420 46 E N -0.863 119.338 120.200 0.002 0.000 2.118 46 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 46 E C 1.935 178.536 176.600 0.002 0.000 0.992 46 E CA 1.357 57.758 56.400 0.002 0.000 0.804 46 E CB -0.049 29.652 29.700 0.002 0.000 0.741 46 E HN 0.139 nan 8.360 nan 0.000 0.458 47 V N 1.368 121.283 119.914 0.002 0.000 2.221 47 V HA -0.259 3.861 4.120 -0.001 0.000 0.242 47 V C 2.294 178.389 176.094 0.002 0.000 1.041 47 V CA 1.656 63.957 62.300 0.002 0.000 0.995 47 V CB -0.600 31.224 31.823 0.002 0.000 0.635 47 V HN 0.228 nan 8.190 nan 0.000 0.448 48 Q N 0.029 119.830 119.800 0.002 0.000 2.217 48 Q HA -0.216 4.123 4.340 -0.001 0.000 0.209 48 Q C 2.232 178.233 176.000 0.001 0.000 0.988 48 Q CA 2.340 58.144 55.803 0.002 0.000 0.878 48 Q CB -1.115 27.624 28.738 0.002 0.000 0.909 48 Q HN 0.698 nan 8.270 nan 0.000 0.424 49 T N 0.904 115.459 114.554 0.001 0.000 2.639 49 T HA -0.152 4.197 4.350 -0.001 0.000 0.261 49 T C 1.814 176.515 174.700 0.001 0.000 1.053 49 T CA 1.433 63.534 62.100 0.001 0.000 1.158 49 T CB -0.207 68.661 68.868 0.001 0.000 0.863 49 T HN 0.412 nan 8.240 nan 0.000 0.413 50 E N 0.756 120.957 120.200 0.001 0.000 2.153 50 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 50 E C 2.420 179.021 176.600 0.001 0.000 0.988 50 E CA 0.766 57.167 56.400 0.001 0.000 0.811 50 E CB 0.068 29.769 29.700 0.001 0.000 0.746 50 E HN 0.265 nan 8.360 nan 0.000 0.466 51 R N 0.472 120.973 120.500 0.001 0.000 2.152 51 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 51 R C 2.277 178.577 176.300 0.001 0.000 1.117 51 R CA 1.205 57.306 56.100 0.001 0.000 0.981 51 R CB -0.433 29.868 30.300 0.001 0.000 0.870 51 R HN 0.360 nan 8.270 nan 0.000 0.451 52 N N 0.968 119.669 118.700 0.001 0.000 2.124 52 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 52 N C 1.755 177.265 175.510 0.001 0.000 1.045 52 N CA 1.086 54.136 53.050 0.001 0.000 0.846 52 N CB -0.123 38.365 38.487 0.001 0.000 1.020 52 N HN 0.137 nan 8.380 nan 0.000 0.432 53 Q N 1.694 121.495 119.800 0.001 0.000 2.437 53 Q HA -0.059 4.280 4.340 -0.001 0.000 0.210 53 Q C 1.878 177.879 176.000 0.001 0.000 0.972 53 Q CA 1.239 57.043 55.803 0.001 0.000 0.903 53 Q CB -0.154 28.584 28.738 0.001 0.000 0.967 53 Q HN 0.455 nan 8.270 nan 0.000 0.486 54 V N -2.497 117.418 119.914 0.001 0.000 2.725 54 V HA 0.235 4.354 4.120 -0.001 0.000 0.247 54 V C 2.307 178.401 176.094 0.001 0.000 1.058 54 V CA 1.104 63.404 62.300 0.001 0.000 1.080 54 V CB -0.941 30.883 31.823 0.001 0.000 0.713 54 V HN 0.230 nan 8.190 nan 0.000 0.465 55 A N 0.590 123.411 122.820 0.001 0.000 2.121 55 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 55 A C 2.231 179.815 177.584 0.001 0.000 1.154 55 A CA 1.753 53.791 52.037 0.001 0.000 0.679 55 A CB -0.492 18.508 19.000 0.001 0.000 0.795 55 A HN 0.646 nan 8.150 nan 0.000 0.458 56 K N -0.352 120.049 120.400 0.001 0.000 2.031 56 K HA -0.099 4.220 4.320 -0.001 0.000 0.205 56 K C 2.179 178.779 176.600 0.001 0.000 1.049 56 K CA 1.453 57.740 56.287 0.001 0.000 0.939 56 K CB -0.190 32.310 32.500 0.001 0.000 0.717 56 K HN 0.423 nan 8.250 nan 0.000 0.438 57 R N 0.778 121.278 120.500 0.001 0.000 2.115 57 R HA -0.057 4.282 4.340 -0.001 0.000 0.230 57 R C 2.344 178.644 176.300 0.001 0.000 1.111 57 R CA 0.745 56.845 56.100 0.001 0.000 0.976 57 R CB -0.528 29.772 30.300 0.001 0.000 0.870 57 R HN -0.032 nan 8.270 nan 0.000 0.445 58 V N 2.392 122.306 119.914 0.001 0.000 2.219 58 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 58 V C -0.655 175.439 176.094 0.001 0.000 1.053 58 V CA 2.247 64.547 62.300 0.001 0.000 1.009 58 V CB -1.241 30.582 31.823 0.001 0.000 0.636 58 V HN 0.279 nan 8.190 nan 0.000 0.445 59 P HA -0.177 nan 4.420 nan 0.000 0.216 59 P C 0.157 177.458 177.300 0.001 0.000 1.157 59 P CA 1.765 64.865 63.100 0.001 0.000 0.880 59 P CB -0.001 31.700 31.700 0.001 0.000 0.791 60 K N -0.053 120.347 120.400 0.000 0.000 2.575 60 K HA 0.681 5.001 4.320 -0.001 0.000 0.236 60 K C -0.421 176.179 176.600 0.000 0.000 0.976 60 K CA -0.709 55.578 56.287 0.000 0.000 0.985 60 K CB 1.906 34.406 32.500 0.000 0.000 1.198 60 K HN 0.072 nan 8.250 nan 0.000 0.464 61 A N 3.139 125.960 122.820 0.000 0.000 2.423 61 A HA 0.812 5.132 4.320 -0.001 0.000 0.304 61 A C -2.566 175.019 177.584 0.000 0.000 1.104 61 A CA -1.691 50.346 52.037 0.000 0.000 0.757 61 A CB 0.847 19.848 19.000 0.001 0.000 1.313 61 A HN 0.374 nan 8.150 nan 0.000 0.423 62 P HA 0.126 nan 4.420 nan 0.000 0.267 62 P C -2.045 175.255 177.300 0.000 0.000 1.205 62 P CA -0.795 62.305 63.100 0.000 0.000 0.765 62 P CB 0.529 32.229 31.700 0.000 0.000 0.828 63 P HA -0.224 nan 4.420 nan 0.000 0.217 63 P C 1.287 178.588 177.300 0.001 0.000 1.148 63 P CA 1.669 64.770 63.100 0.001 0.000 0.828 63 P CB 0.104 31.805 31.700 0.000 0.000 0.783 64 E N 0.978 121.178 120.200 0.001 0.000 2.072 64 E HA -0.195 4.155 4.350 -0.001 0.000 0.190 64 E C 2.018 178.618 176.600 0.001 0.000 0.982 64 E CA 1.086 57.487 56.400 0.001 0.000 0.803 64 E CB -1.062 28.638 29.700 0.001 0.000 0.755 64 E HN 0.345 nan 8.360 nan 0.000 0.453 65 E N 1.275 121.475 120.200 0.001 0.000 2.152 65 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 65 E C 2.159 178.760 176.600 0.001 0.000 0.983 65 E CA 0.726 57.126 56.400 0.001 0.000 0.818 65 E CB 0.061 29.761 29.700 0.001 0.000 0.758 65 E HN 0.214 nan 8.360 nan 0.000 0.467 66 K N 0.782 121.182 120.400 0.001 0.000 2.009 66 K HA -0.254 4.066 4.320 -0.001 0.000 0.210 66 K C 2.148 178.748 176.600 0.001 0.000 1.049 66 K CA 1.893 58.180 56.287 0.001 0.000 0.929 66 K CB -0.108 32.393 32.500 0.001 0.000 0.714 66 K HN -0.059 nan 8.250 nan 0.000 0.440 67 E N 0.571 120.772 120.200 0.001 0.000 2.110 67 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 67 E C 1.553 178.154 176.600 0.001 0.000 0.988 67 E CA 1.570 57.970 56.400 0.001 0.000 0.804 67 E CB -0.274 29.426 29.700 0.001 0.000 0.745 67 E HN 0.393 nan 8.360 nan 0.000 0.458 68 A N 0.108 122.929 122.820 0.001 0.000 1.933 68 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 68 A C 2.026 179.611 177.584 0.001 0.000 1.175 68 A CA 1.412 53.449 52.037 0.001 0.000 0.628 68 A CB -0.548 18.453 19.000 0.001 0.000 0.814 68 A HN 0.329 nan 8.150 nan 0.000 0.444 69 L N -0.405 120.818 121.223 0.001 0.000 2.141 69 L HA -0.036 4.303 4.340 -0.001 0.000 0.209 69 L C 2.302 179.173 176.870 0.001 0.000 1.094 69 L CA 1.209 56.049 54.840 0.001 0.000 0.763 69 L CB -0.746 41.314 42.059 0.001 0.000 0.908 69 L HN 0.386 nan 8.230 nan 0.000 0.437 70 I N -0.921 119.650 120.570 0.001 0.000 2.202 70 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 70 I C 2.593 178.711 176.117 0.001 0.000 1.091 70 I CA 1.148 62.449 61.300 0.001 0.000 1.368 70 I CB -0.502 37.499 38.000 0.001 0.000 1.058 70 I HN 0.201 nan 8.210 nan 0.000 0.410 71 A N 0.817 123.638 122.820 0.001 0.000 1.865 71 A HA -0.296 4.024 4.320 -0.001 0.000 0.217 71 A C 2.343 179.928 177.584 0.001 0.000 1.191 71 A CA 2.210 54.248 52.037 0.001 0.000 0.623 71 A CB -0.628 18.373 19.000 0.001 0.000 0.826 71 A HN 0.284 nan 8.150 nan 0.000 0.444 72 R N -0.000 120.501 120.500 0.001 0.000 2.091 72 R HA -0.079 4.261 4.340 -0.001 0.000 0.238 72 R C 2.149 178.449 176.300 0.001 0.000 1.136 72 R CA 1.980 58.081 56.100 0.001 0.000 0.959 72 R CB -1.385 28.915 30.300 0.001 0.000 0.856 72 R HN 0.424 nan 8.270 nan 0.000 0.437 73 G N 0.903 109.704 108.800 0.001 0.000 2.422 73 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 73 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 73 G C 1.403 176.304 174.900 0.001 0.000 1.146 73 G CA 0.833 45.934 45.100 0.001 0.000 0.769 73 G HN 0.329 nan 8.290 nan 0.000 0.547 74 K N 1.215 121.616 120.400 0.001 0.000 2.057 74 K HA 0.025 4.345 4.320 -0.001 0.000 0.207 74 K C 2.698 179.299 176.600 0.001 0.000 1.049 74 K CA 1.444 57.732 56.287 0.001 0.000 0.931 74 K CB -0.506 31.995 32.500 0.001 0.000 0.714 74 K HN 0.191 nan 8.250 nan 0.000 0.440 75 A N 1.389 124.210 122.820 0.001 0.000 1.873 75 A HA -0.125 4.194 4.320 -0.001 0.000 0.215 75 A C 2.157 179.742 177.584 0.002 0.000 1.186 75 A CA 1.106 53.144 52.037 0.001 0.000 0.616 75 A CB -0.549 18.451 19.000 0.001 0.000 0.823 75 A HN 0.289 nan 8.150 nan 0.000 0.442 76 L N 0.025 121.249 121.223 0.001 0.000 2.131 76 L HA -0.050 4.290 4.340 -0.001 0.000 0.210 76 L C 2.604 179.475 176.870 0.002 0.000 1.092 76 L CA 1.765 56.606 54.840 0.002 0.000 0.759 76 L CB -1.270 40.790 42.059 0.001 0.000 0.903 76 L HN 0.405 nan 8.230 nan 0.000 0.435 77 G N -0.505 108.296 108.800 0.002 0.000 2.404 77 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.215 77 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.215 77 G C 1.360 176.261 174.900 0.002 0.000 1.174 77 G CA 0.727 45.828 45.100 0.002 0.000 0.780 77 G HN 0.612 nan 8.290 nan 0.000 0.537 78 E N 0.218 120.419 120.200 0.002 0.000 2.204 78 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 78 E C 2.044 178.645 176.600 0.002 0.000 0.989 78 E CA 1.086 57.487 56.400 0.002 0.000 0.824 78 E CB -0.276 29.425 29.700 0.002 0.000 0.756 78 E HN 0.590 nan 8.360 nan 0.000 0.477 79 E N 0.999 121.200 120.200 0.002 0.000 2.072 79 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 79 E C 2.110 178.711 176.600 0.002 0.000 0.982 79 E CA 0.871 57.272 56.400 0.002 0.000 0.803 79 E CB -0.073 29.628 29.700 0.002 0.000 0.755 79 E HN 0.347 nan 8.360 nan 0.000 0.453 80 A N 1.742 124.563 122.820 0.002 0.000 1.908 80 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 80 A C 2.035 179.620 177.584 0.002 0.000 1.181 80 A CA 1.702 53.740 52.037 0.002 0.000 0.627 80 A CB -0.399 18.602 19.000 0.002 0.000 0.818 80 A HN 0.143 nan 8.150 nan 0.000 0.445 81 K N -0.699 119.702 120.400 0.002 0.000 2.044 81 K HA -0.207 4.113 4.320 -0.001 0.000 0.210 81 K C 2.319 178.920 176.600 0.002 0.000 1.049 81 K CA 1.908 58.196 56.287 0.002 0.000 0.927 81 K CB -0.228 32.273 32.500 0.002 0.000 0.713 81 K HN 0.398 nan 8.250 nan 0.000 0.443 82 R N 0.697 121.198 120.500 0.002 0.000 2.075 82 R HA -0.049 4.291 4.340 -0.001 0.000 0.232 82 R C 2.386 178.688 176.300 0.002 0.000 1.126 82 R CA 1.027 57.129 56.100 0.002 0.000 0.963 82 R CB -0.286 30.015 30.300 0.002 0.000 0.858 82 R HN 0.130 nan 8.270 nan 0.000 0.435 83 L N 0.447 121.672 121.223 0.002 0.000 2.046 83 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 83 L C 2.195 179.067 176.870 0.002 0.000 1.077 83 L CA 1.471 56.313 54.840 0.002 0.000 0.747 83 L CB -0.292 41.768 42.059 0.002 0.000 0.896 83 L HN 0.259 nan 8.230 nan 0.000 0.432 84 E N -0.351 119.851 120.200 0.003 0.000 2.047 84 E HA -0.267 4.083 4.350 -0.001 0.000 0.191 84 E C 2.056 178.658 176.600 0.003 0.000 0.987 84 E CA 1.101 57.503 56.400 0.003 0.000 0.799 84 E CB -0.069 29.633 29.700 0.003 0.000 0.752 84 E HN 0.416 nan 8.360 nan 0.000 0.449 85 E N 0.738 120.940 120.200 0.003 0.000 2.070 85 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 85 E C 2.002 178.604 176.600 0.003 0.000 1.004 85 E CA 1.248 57.650 56.400 0.003 0.000 0.805 85 E CB -0.069 29.633 29.700 0.003 0.000 0.744 85 E HN 0.214 nan 8.360 nan 0.000 0.451 86 A N 0.794 123.616 122.820 0.003 0.000 1.898 86 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 86 A C 2.109 179.694 177.584 0.002 0.000 1.181 86 A CA 1.071 53.110 52.037 0.002 0.000 0.620 86 A CB -0.544 18.458 19.000 0.002 0.000 0.819 86 A HN 0.360 nan 8.150 nan 0.000 0.442 87 L N -0.109 121.116 121.223 0.002 0.000 2.056 87 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 87 L C 2.480 179.351 176.870 0.002 0.000 1.078 87 L CA 1.833 56.674 54.840 0.002 0.000 0.749 87 L CB -0.507 41.553 42.059 0.002 0.000 0.901 87 L HN 0.337 nan 8.230 nan 0.000 0.433 88 R N -0.634 119.868 120.500 0.003 0.000 2.091 88 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 88 R C 2.271 178.573 176.300 0.003 0.000 1.136 88 R CA 1.762 57.864 56.100 0.003 0.000 0.959 88 R CB -0.397 29.905 30.300 0.004 0.000 0.856 88 R HN 0.520 nan 8.270 nan 0.000 0.437 89 E N 0.851 121.052 120.200 0.003 0.000 2.107 89 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 89 E C 1.479 178.080 176.600 0.002 0.000 0.982 89 E CA 1.025 57.427 56.400 0.003 0.000 0.809 89 E CB 0.267 29.969 29.700 0.003 0.000 0.756 89 E HN 0.228 nan 8.360 nan 0.000 0.459 90 K N 0.109 120.510 120.400 0.001 0.000 2.186 90 K HA -0.014 4.306 4.320 -0.001 0.000 0.202 90 K C 2.035 178.634 176.600 -0.001 0.000 1.052 90 K CA 0.580 56.867 56.287 0.000 0.000 0.965 90 K CB 0.152 32.653 32.500 0.001 0.000 0.746 90 K HN 0.120 nan 8.250 nan 0.000 0.457 91 E N 1.023 121.223 120.200 -0.001 0.000 2.051 91 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 91 E C 2.115 178.713 176.600 -0.003 0.000 0.991 91 E CA 1.091 57.489 56.400 -0.003 0.000 0.799 91 E CB -0.099 29.601 29.700 -0.001 0.000 0.748 91 E HN 0.278 nan 8.360 nan 0.000 0.449 92 A N 2.442 125.262 122.820 -0.000 0.000 1.859 92 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 92 A C 2.170 179.753 177.584 -0.002 0.000 1.198 92 A CA 2.191 54.228 52.037 0.001 0.000 0.629 92 A CB -0.734 18.267 19.000 0.003 0.000 0.830 92 A HN 0.273 nan 8.150 nan 0.000 0.446 93 R N -0.780 119.719 120.500 -0.001 0.000 2.148 93 R HA 0.021 4.361 4.340 -0.001 0.000 0.227 93 R C 1.887 178.184 176.300 -0.005 0.000 1.103 93 R CA 1.330 57.429 56.100 -0.002 0.000 0.983 93 R CB -0.709 29.591 30.300 -0.001 0.000 0.874 93 R HN 0.417 nan 8.270 nan 0.000 0.451 94 L N 1.701 122.920 121.223 -0.008 0.000 2.109 94 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 94 L C 1.941 178.799 176.870 -0.019 0.000 1.086 94 L CA 1.741 56.573 54.840 -0.013 0.000 0.760 94 L CB -0.198 41.853 42.059 -0.014 0.000 0.910 94 L HN 0.037 nan 8.230 nan 0.000 0.437 95 E N 0.181 120.371 120.200 -0.017 0.000 2.072 95 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 95 E C 2.246 178.833 176.600 -0.021 0.000 0.985 95 E CA 1.291 57.678 56.400 -0.023 0.000 0.801 95 E CB -0.616 29.075 29.700 -0.015 0.000 0.750 95 E HN 0.597 nan 8.360 nan 0.000 0.452 96 A N 1.099 123.912 122.820 -0.012 0.000 1.972 96 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 96 A C 2.339 179.918 177.584 -0.009 0.000 1.169 96 A CA 0.995 53.028 52.037 -0.008 0.000 0.635 96 A CB -0.563 18.435 19.000 -0.004 0.000 0.810 96 A HN 0.172 nan 8.150 nan 0.000 0.446 97 L N -1.039 120.177 121.223 -0.011 0.000 2.131 97 L HA -0.033 4.306 4.340 -0.001 0.000 0.206 97 L C 2.324 179.185 176.870 -0.014 0.000 1.087 97 L CA 0.570 55.405 54.840 -0.008 0.000 0.767 97 L CB -0.349 41.705 42.059 -0.007 0.000 0.917 97 L HN 0.349 nan 8.230 nan 0.000 0.441 98 L N -0.478 120.725 121.223 -0.033 0.000 2.201 98 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 98 L C 2.246 179.077 176.870 -0.066 0.000 1.105 98 L CA 0.736 55.542 54.840 -0.055 0.000 0.775 98 L CB -0.259 41.755 42.059 -0.075 0.000 0.913 98 L HN 0.281 nan 8.230 nan 0.000 0.440 99 L N -0.571 120.618 121.223 -0.057 0.000 2.549 99 L HA -0.161 4.179 4.340 -0.001 0.000 0.229 99 L C 1.843 178.717 176.870 0.007 0.000 1.158 99 L CA 0.873 55.673 54.840 -0.066 0.000 0.842 99 L CB -0.166 41.869 42.059 -0.040 0.000 0.952 99 L HN 0.423 nan 8.230 nan 0.000 0.452 100 Q N -1.360 118.463 119.800 0.040 0.000 2.281 100 Q HA 0.133 4.472 4.340 -0.001 0.000 0.215 100 Q C 0.146 176.231 176.000 0.141 0.000 0.867 100 Q CA -0.196 55.659 55.803 0.087 0.000 0.940 100 Q CB 1.149 29.913 28.738 0.043 0.000 1.111 100 Q HN 0.185 nan 8.270 nan 0.000 0.513 101 V N 4.594 124.594 119.914 0.144 0.000 2.508 101 V HA 0.137 4.257 4.120 -0.001 0.000 0.281 101 V C -1.905 174.423 176.094 0.389 0.000 1.041 101 V CA -1.308 61.102 62.300 0.184 0.000 1.016 101 V CB 0.411 32.275 31.823 0.069 0.000 0.984 101 V HN 0.103 nan 8.190 nan 0.000 0.478 102 P HA 0.236 nan 4.420 nan 0.000 0.277 102 P C -0.660 176.809 177.300 0.281 0.000 1.240 102 P CA -0.630 62.610 63.100 0.234 0.000 0.798 102 P CB 1.434 33.184 31.700 0.084 0.000 0.979 103 L N 4.368 125.593 121.223 0.003 0.000 2.397 103 L HA 0.385 4.724 4.340 -0.001 0.000 0.271 103 L C -2.341 174.576 176.870 0.077 0.000 1.148 103 L CA -2.164 52.743 54.840 0.112 0.000 0.825 103 L CB -0.280 41.729 42.059 -0.082 0.000 1.117 103 L HN 0.239 nan 8.230 nan 0.000 0.456 104 P HA 0.020 nan 4.420 nan 0.000 0.260 104 P C -2.488 174.867 177.300 0.091 0.000 1.172 104 P CA -0.395 62.718 63.100 0.022 0.000 0.760 104 P CB -0.135 31.537 31.700 -0.048 0.000 0.773 105 P HA -0.019 nan 4.420 nan 0.000 0.271 105 P C -0.173 176.856 177.300 -0.451 0.000 1.218 105 P CA -0.337 62.660 63.100 -0.172 0.000 0.780 105 P CB 0.464 32.068 31.700 -0.159 0.000 0.901 106 W N 5.333 125.900 121.300 -1.222 0.000 2.193 106 W HA 0.086 4.745 4.660 -0.001 0.000 0.338 106 W C -1.820 174.257 176.519 -0.737 0.000 1.310 106 W CA -1.915 54.417 57.345 -1.687 0.000 1.243 106 W CB -1.277 27.083 29.460 -1.833 0.000 1.165 106 W HN 0.395 nan 8.180 nan 0.000 0.566 107 P HA -0.230 nan 4.420 nan 0.000 0.217 107 P C 1.574 178.304 177.300 -0.951 0.000 1.158 107 P CA 3.040 65.789 63.100 -0.586 0.000 0.887 107 P CB -0.460 31.058 31.700 -0.304 0.000 0.792 108 G N -0.685 107.019 108.800 -1.827 0.000 3.061 108 G HA2 0.247 4.206 3.960 -0.001 0.000 0.208 108 G HA3 0.247 4.206 3.960 -0.001 0.000 0.208 108 G C 0.551 174.579 174.900 -1.452 0.000 1.175 108 G CA 0.234 44.244 45.100 -1.817 0.000 0.812 108 G HN 0.533 nan 8.290 nan 0.000 0.523 109 A N 0.961 123.025 122.820 -1.261 0.000 2.328 109 A HA 0.671 4.991 4.320 -0.001 0.000 0.284 109 A C -2.224 175.164 177.584 -0.328 0.000 1.160 109 A CA -1.372 50.365 52.037 -0.499 0.000 0.818 109 A CB 0.790 19.621 19.000 -0.282 0.000 1.087 109 A HN 0.137 nan 8.150 nan 0.000 0.504 110 P HA 0.210 nan 4.420 nan 0.000 0.267 110 P C -0.696 176.531 177.300 -0.122 0.000 1.200 110 P CA -0.054 62.965 63.100 -0.136 0.000 0.772 110 P CB 0.568 32.220 31.700 -0.079 0.000 0.855 111 V N 2.942 122.789 119.914 -0.112 0.000 2.370 111 V HA 0.805 4.925 4.120 -0.001 0.000 0.279 111 V C 0.774 176.830 176.094 -0.063 0.000 1.029 111 V CA 0.496 62.742 62.300 -0.091 0.000 0.870 111 V CB 0.476 32.243 31.823 -0.094 0.000 0.984 111 V HN 0.995 nan 8.190 nan 0.000 0.451 112 G N 3.184 111.955 108.800 -0.049 0.000 2.356 112 G HA2 0.485 4.445 3.960 -0.001 0.000 0.300 112 G HA3 0.485 4.445 3.960 -0.001 0.000 0.300 112 G C -0.268 174.617 174.900 -0.025 0.000 1.331 112 G CA -0.139 44.941 45.100 -0.033 0.000 0.905 112 G HN 0.957 nan 8.290 nan 0.000 0.587 113 G N -1.235 107.556 108.800 -0.015 0.000 2.531 113 G HA2 0.482 4.442 3.960 -0.001 0.000 0.253 113 G HA3 0.482 4.442 3.960 -0.001 0.000 0.253 113 G C 0.879 175.776 174.900 -0.005 0.000 1.439 113 G CA 0.825 45.921 45.100 -0.007 0.000 1.056 113 G HN 0.908 nan 8.290 nan 0.000 0.555 114 E N -0.095 120.107 120.200 0.002 0.000 2.187 114 E HA -0.231 4.118 4.350 -0.001 0.000 0.199 114 E C 2.303 178.903 176.600 0.001 0.000 1.004 114 E CA 1.823 58.225 56.400 0.004 0.000 0.813 114 E CB 0.048 29.752 29.700 0.007 0.000 0.736 114 E HN 0.563 nan 8.360 nan 0.000 0.468 115 E N 0.076 120.274 120.200 -0.002 0.000 2.268 115 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 115 E C 1.492 178.086 176.600 -0.010 0.000 0.995 115 E CA 1.187 57.584 56.400 -0.005 0.000 0.836 115 E CB -0.084 29.613 29.700 -0.005 0.000 0.763 115 E HN 0.281 nan 8.360 nan 0.000 0.491 116 A N 0.918 123.729 122.820 -0.014 0.000 2.251 116 A HA 0.054 4.374 4.320 -0.001 0.000 0.209 116 A C 0.610 178.182 177.584 -0.020 0.000 1.187 116 A CA -0.373 51.650 52.037 -0.022 0.000 0.823 116 A CB -0.745 18.237 19.000 -0.031 0.000 0.846 116 A HN 0.242 nan 8.150 nan 0.000 0.486 117 N N 1.997 120.691 118.700 -0.010 0.000 2.411 117 N HA 0.079 4.819 4.740 -0.001 0.000 0.261 117 N C -0.416 175.089 175.510 -0.008 0.000 1.248 117 N CA 0.074 53.122 53.050 -0.003 0.000 0.885 117 N CB 0.446 38.936 38.487 0.004 0.000 1.062 117 N HN 0.338 nan 8.380 nan 0.000 0.471 118 R N 2.020 122.516 120.500 -0.006 0.000 2.407 118 R HA 0.201 4.541 4.340 -0.001 0.000 0.303 118 R C -0.098 176.195 176.300 -0.012 0.000 0.981 118 R CA -0.551 55.541 56.100 -0.013 0.000 0.905 118 R CB 1.159 31.450 30.300 -0.014 0.000 1.099 118 R HN 0.610 nan 8.270 nan 0.000 0.459 119 E N 2.696 122.876 120.200 -0.033 0.000 2.316 119 E HA 0.058 4.408 4.350 -0.001 0.000 0.275 119 E C 0.369 176.948 176.600 -0.035 0.000 1.029 119 E CA -0.174 56.195 56.400 -0.052 0.000 0.871 119 E CB 0.712 30.355 29.700 -0.095 0.000 1.022 119 E HN 0.566 nan 8.360 nan 0.000 0.418 120 I N 3.688 124.246 120.570 -0.020 0.000 2.429 120 I HA -0.018 4.151 4.170 -0.001 0.000 0.247 120 I C 0.479 176.584 176.117 -0.021 0.000 1.099 120 I CA 0.685 61.986 61.300 0.000 0.000 1.422 120 I CB 0.001 38.022 38.000 0.034 0.000 1.112 120 I HN 0.520 nan 8.210 nan 0.000 0.430 121 K N 0.914 121.287 120.400 -0.045 0.000 2.658 121 K HA 0.557 4.876 4.320 -0.001 0.000 0.293 121 K C -1.142 175.382 176.600 -0.127 0.000 1.026 121 K CA -1.072 55.172 56.287 -0.072 0.000 0.871 121 K CB 1.476 33.949 32.500 -0.046 0.000 1.524 121 K HN -0.010 nan 8.250 nan 0.000 0.400 122 R N -0.043 120.355 120.500 -0.170 0.000 2.771 122 R HA 0.743 5.082 4.340 -0.001 0.000 0.274 122 R C -1.471 174.656 176.300 -0.288 0.000 0.987 122 R CA -1.120 54.830 56.100 -0.251 0.000 0.908 122 R CB 2.107 32.255 30.300 -0.254 0.000 1.213 122 R HN 0.286 nan 8.270 nan 0.000 0.468 123 V N 1.165 120.787 119.914 -0.487 0.000 2.577 123 V HA 0.762 4.881 4.120 -0.001 0.000 0.303 123 V C 0.244 176.093 176.094 -0.409 0.000 1.042 123 V CA 0.165 62.157 62.300 -0.515 0.000 0.872 123 V CB 1.260 32.563 31.823 -0.867 0.000 0.998 123 V HN 1.175 nan 8.190 nan 0.000 0.423 124 G N 3.258 111.930 108.800 -0.214 0.000 2.716 124 G HA2 0.292 4.252 3.960 -0.001 0.000 0.686 124 G HA3 0.292 4.252 3.960 -0.001 0.000 0.686 124 G C 0.028 174.867 174.900 -0.102 0.000 1.337 124 G CA -0.352 44.676 45.100 -0.121 0.000 0.829 124 G HN 1.380 nan 8.290 nan 0.000 0.599 125 G N 0.788 109.532 108.800 -0.093 0.000 2.522 125 G HA2 0.805 4.764 3.960 -0.001 0.000 0.304 125 G HA3 0.805 4.764 3.960 -0.001 0.000 0.304 125 G C -2.052 172.756 174.900 -0.153 0.000 1.210 125 G CA -0.775 44.251 45.100 -0.123 0.000 0.960 125 G HN 0.710 nan 8.290 nan 0.000 0.497 126 P HA 0.142 nan 4.420 nan 0.000 0.265 126 P C -2.062 175.169 177.300 -0.115 0.000 1.187 126 P CA -0.629 62.356 63.100 -0.193 0.000 0.766 126 P CB 0.024 31.584 31.700 -0.234 0.000 0.820 127 P HA 0.063 nan 4.420 nan 0.000 0.269 127 P C -0.542 176.404 177.300 -0.592 0.000 1.209 127 P CA 0.204 63.066 63.100 -0.397 0.000 0.776 127 P CB 0.854 32.266 31.700 -0.479 0.000 0.876 128 E N 1.644 121.477 120.200 -0.611 0.000 2.129 128 E HA 0.362 4.712 4.350 -0.001 0.000 0.268 128 E C -1.171 175.098 176.600 -0.551 0.000 0.900 128 E CA -0.601 55.534 56.400 -0.442 0.000 0.755 128 E CB 0.432 29.998 29.700 -0.222 0.000 1.117 128 E HN 0.253 nan 8.360 nan 0.000 0.410 129 F N 1.427 121.241 119.950 -0.226 0.000 2.443 129 F HA 0.137 4.663 4.527 -0.001 0.000 0.335 129 F C 1.460 177.070 175.800 -0.317 0.000 1.104 129 F CA -0.730 57.001 58.000 -0.449 0.000 1.013 129 F CB 1.946 40.395 39.000 -0.918 0.000 1.136 129 F HN 0.404 nan 8.300 nan 0.000 0.470 130 S N 1.939 117.675 115.700 0.059 0.000 2.786 130 S HA 0.203 4.673 4.470 -0.001 0.000 0.223 130 S C -0.323 174.450 174.600 0.289 0.000 0.956 130 S CA -0.052 58.262 58.200 0.190 0.000 0.961 130 S CB -1.353 62.011 63.200 0.274 0.000 0.784 130 S HN 0.490 nan 8.310 nan 0.000 0.519 131 F N -2.420 117.604 119.950 0.123 0.000 2.741 131 F HA 0.734 5.261 4.527 -0.001 0.000 0.311 131 F C -3.356 172.459 175.800 0.025 0.000 1.149 131 F CA -2.548 55.481 58.000 0.049 0.000 0.930 131 F CB 0.264 39.273 39.000 0.014 0.000 1.312 131 F HN -0.268 nan 8.300 nan 0.000 0.450 132 P HA 0.265 nan 4.420 nan 0.000 0.281 132 P C -2.756 174.489 177.300 -0.092 0.000 1.252 132 P CA -1.102 61.974 63.100 -0.040 0.000 0.778 132 P CB 1.012 32.721 31.700 0.014 0.000 0.895 133 P HA 0.154 nan 4.420 nan 0.000 0.271 133 P C -0.262 176.920 177.300 -0.196 0.000 1.218 133 P CA 0.095 62.895 63.100 -0.499 0.000 0.780 133 P CB 0.981 32.175 31.700 -0.842 0.000 0.901 134 L N 2.138 123.279 121.223 -0.137 0.000 2.360 134 L HA 0.300 4.640 4.340 -0.001 0.000 0.271 134 L C 1.174 177.977 176.870 -0.112 0.000 1.057 134 L CA -0.919 53.861 54.840 -0.099 0.000 0.803 134 L CB 0.706 42.718 42.059 -0.079 0.000 1.207 134 L HN 0.461 nan 8.230 nan 0.000 0.445 135 D N -0.342 119.993 120.400 -0.109 0.000 2.377 135 D HA -0.044 4.595 4.640 -0.001 0.000 0.245 135 D C 1.089 177.314 176.300 -0.125 0.000 1.196 135 D CA -0.188 53.747 54.000 -0.107 0.000 0.962 135 D CB 0.418 41.142 40.800 -0.127 0.000 1.127 135 D HN 0.658 nan 8.370 nan 0.000 0.471 136 H N -0.457 118.538 119.070 -0.125 0.000 2.423 136 H HA -0.083 4.472 4.556 -0.001 0.000 0.297 136 H C 1.592 176.791 175.328 -0.214 0.000 1.075 136 H CA 1.077 57.046 56.048 -0.132 0.000 1.342 136 H CB -0.708 28.971 29.762 -0.139 0.000 1.395 136 H HN 0.208 nan 8.280 nan 0.000 0.530 137 V N 1.959 121.330 119.914 -0.905 0.000 2.307 137 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 137 V C 3.232 179.093 176.094 -0.388 0.000 1.045 137 V CA 1.751 63.615 62.300 -0.727 0.000 1.024 137 V CB -1.156 30.349 31.823 -0.530 0.000 0.651 137 V HN 0.647 nan 8.190 nan 0.000 0.449 138 A N -0.454 122.217 122.820 -0.248 0.000 1.972 138 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 138 A C 2.223 179.711 177.584 -0.160 0.000 1.169 138 A CA 1.588 53.533 52.037 -0.154 0.000 0.635 138 A CB -0.515 18.416 19.000 -0.115 0.000 0.810 138 A HN 0.505 nan 8.150 nan 0.000 0.446 139 L N -1.286 119.846 121.223 -0.151 0.000 2.093 139 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 139 L C 2.804 179.585 176.870 -0.148 0.000 1.085 139 L CA 1.307 56.080 54.840 -0.112 0.000 0.755 139 L CB -0.328 41.746 42.059 0.027 0.000 0.904 139 L HN 0.437 nan 8.230 nan 0.000 0.435 140 M N -1.419 118.088 119.600 -0.155 0.000 2.236 140 M HA -0.118 4.361 4.480 -0.001 0.000 0.266 140 M C 2.165 178.384 176.300 -0.135 0.000 1.070 140 M CA 1.150 56.371 55.300 -0.131 0.000 1.137 140 M CB -0.219 32.072 32.600 -0.514 0.000 1.378 140 M HN 0.131 nan 8.290 nan 0.000 0.426 141 E N 0.898 121.025 120.200 -0.120 0.000 2.031 141 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 141 E C 1.865 178.428 176.600 -0.061 0.000 0.994 141 E CA 1.323 57.748 56.400 0.041 0.000 0.800 141 E CB -0.403 29.327 29.700 0.050 0.000 0.752 141 E HN 0.448 nan 8.360 nan 0.000 0.447 142 K N 0.610 120.923 120.400 -0.146 0.000 2.074 142 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 142 K C 1.459 177.882 176.600 -0.296 0.000 1.048 142 K CA 1.374 57.545 56.287 -0.193 0.000 0.926 142 K CB 0.048 32.421 32.500 -0.212 0.000 0.713 142 K HN -0.001 nan 8.250 nan 0.000 0.444 143 N N -0.337 118.058 118.700 -0.509 0.000 2.280 143 N HA 0.030 4.769 4.740 -0.001 0.000 0.192 143 N C 0.085 175.231 175.510 -0.607 0.000 1.109 143 N CA 0.834 53.396 53.050 -0.813 0.000 0.855 143 N CB 1.047 38.421 38.487 -1.855 0.000 0.974 143 N HN 0.436 nan 8.380 nan 0.000 0.482 144 G N 0.867 109.514 108.800 -0.254 0.000 2.295 144 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.287 144 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.287 144 G C 0.237 175.247 174.900 0.183 0.000 1.055 144 G CA -0.098 44.999 45.100 -0.004 0.000 0.922 144 G HN 0.406 nan 8.290 nan 0.000 0.503 145 W N -0.980 120.404 121.300 0.140 0.000 3.278 145 W HA 0.443 5.102 4.660 -0.001 0.000 0.308 145 W C 0.848 177.534 176.519 0.279 0.000 1.253 145 W CA -0.151 57.283 57.345 0.149 0.000 1.759 145 W CB -0.351 29.150 29.460 0.069 0.000 1.093 145 W HN 0.659 nan 8.180 nan 0.000 0.648 146 W N 0.355 121.817 121.300 0.270 0.000 3.038 146 W HA 0.570 5.229 4.660 -0.001 0.000 0.347 146 W C -1.186 175.420 176.519 0.145 0.000 1.219 146 W CA -2.579 54.894 57.345 0.212 0.000 1.142 146 W CB 0.307 29.896 29.460 0.215 0.000 1.484 146 W HN -0.208 nan 8.180 nan 0.000 0.586 147 E N 1.932 122.205 120.200 0.122 0.000 2.255 147 E HA 0.457 4.807 4.350 -0.001 0.000 0.245 147 E C -2.094 174.299 176.600 -0.345 0.000 0.909 147 E CA -2.716 53.641 56.400 -0.073 0.000 0.747 147 E CB 1.597 31.303 29.700 0.010 0.000 1.215 147 E HN 0.024 nan 8.360 nan 0.000 0.424 148 P HA -0.118 nan 4.420 nan 0.000 0.221 148 P C 0.642 177.767 177.300 -0.292 0.000 1.145 148 P CA 0.946 63.699 63.100 -0.578 0.000 0.795 148 P CB 0.257 31.718 31.700 -0.398 0.000 0.775 149 R N -1.190 119.204 120.500 -0.177 0.000 2.237 149 R HA -0.035 4.305 4.340 -0.001 0.000 0.219 149 R C 1.981 178.227 176.300 -0.089 0.000 1.080 149 R CA 0.401 56.439 56.100 -0.104 0.000 0.995 149 R CB -0.885 29.378 30.300 -0.061 0.000 0.875 149 R HN 0.177 nan 8.270 nan 0.000 0.462 150 I N 0.938 121.445 120.570 -0.106 0.000 2.423 150 I HA -0.266 3.903 4.170 -0.001 0.000 0.254 150 I C 1.484 177.575 176.117 -0.043 0.000 1.151 150 I CA 1.417 62.679 61.300 -0.063 0.000 1.421 150 I CB -0.086 37.877 38.000 -0.063 0.000 1.079 150 I HN 0.017 nan 8.210 nan 0.000 0.431 151 S N 0.249 115.907 115.700 -0.070 0.000 2.383 151 S HA -0.218 4.252 4.470 -0.001 0.000 0.229 151 S C 1.787 176.377 174.600 -0.016 0.000 1.030 151 S CA 1.238 59.417 58.200 -0.036 0.000 1.002 151 S CB -0.333 62.831 63.200 -0.060 0.000 0.829 151 S HN 0.540 nan 8.310 nan 0.000 0.467 152 Q N 0.450 120.233 119.800 -0.028 0.000 2.269 152 Q HA 0.162 4.501 4.340 -0.001 0.000 0.201 152 Q C 2.337 178.332 176.000 -0.009 0.000 0.946 152 Q CA 0.598 56.390 55.803 -0.018 0.000 0.877 152 Q CB -0.666 28.057 28.738 -0.024 0.000 0.963 152 Q HN 0.473 nan 8.270 nan 0.000 0.472 153 V N 0.250 120.159 119.914 -0.008 0.000 2.407 153 V HA -0.062 4.058 4.120 -0.001 0.000 0.245 153 V C 1.502 177.603 176.094 0.011 0.000 1.041 153 V CA 1.701 64.000 62.300 -0.002 0.000 1.040 153 V CB -0.001 31.820 31.823 -0.004 0.000 0.671 153 V HN 0.212 nan 8.190 nan 0.000 0.455 154 S N -1.460 114.257 115.700 0.027 0.000 2.666 154 S HA 0.537 5.006 4.470 -0.001 0.000 0.239 154 S C 0.690 175.346 174.600 0.093 0.000 1.031 154 S CA 0.455 58.691 58.200 0.060 0.000 1.015 154 S CB 1.014 64.265 63.200 0.085 0.000 0.981 154 S HN 0.924 nan 8.310 nan 0.000 0.547 155 G N 2.288 111.131 108.800 0.071 0.000 2.698 155 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.225 155 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.225 155 G C -0.175 174.797 174.900 0.120 0.000 1.345 155 G CA -0.516 44.641 45.100 0.094 0.000 0.871 155 G HN 0.874 nan 8.290 nan 0.000 0.540 156 S N -0.577 115.206 115.700 0.137 0.000 2.632 156 S HA 0.681 5.151 4.470 -0.001 0.000 0.267 156 S C 0.821 175.527 174.600 0.176 0.000 1.276 156 S CA 0.668 58.941 58.200 0.122 0.000 0.998 156 S CB 1.240 64.486 63.200 0.078 0.000 0.953 156 S HN 1.635 nan 8.310 nan 0.000 0.547 157 R N -0.318 120.239 120.500 0.096 0.000 3.261 157 R HA -0.103 4.236 4.340 -0.001 0.000 0.257 157 R C -0.961 175.404 176.300 0.109 0.000 1.014 157 R CA 0.595 56.693 56.100 -0.004 0.000 0.681 157 R CB -2.383 27.685 30.300 -0.386 0.000 1.155 157 R HN 0.694 nan 8.270 nan 0.000 0.424 158 S N -0.137 115.679 115.700 0.194 0.000 2.549 158 S HA 0.775 5.244 4.470 -0.001 0.000 0.280 158 S C -1.039 173.739 174.600 0.296 0.000 1.109 158 S CA -0.837 57.502 58.200 0.231 0.000 0.905 158 S CB 1.890 65.182 63.200 0.154 0.000 1.081 158 S HN 0.366 nan 8.310 nan 0.000 0.477 159 Y N -0.998 119.380 120.300 0.129 0.000 2.615 159 Y HA 0.913 5.462 4.550 -0.001 0.000 0.341 159 Y C -1.048 174.944 175.900 0.153 0.000 1.089 159 Y CA -1.651 56.559 58.100 0.182 0.000 1.049 159 Y CB 0.975 39.603 38.460 0.280 0.000 1.296 159 Y HN 0.776 nan 8.280 nan 0.000 0.470 160 A N 2.508 125.384 122.820 0.093 0.000 2.456 160 A HA 0.667 4.987 4.320 -0.001 0.000 0.288 160 A C -2.429 175.289 177.584 0.224 0.000 1.042 160 A CA -0.453 51.586 52.037 0.003 0.000 0.738 160 A CB 1.042 20.043 19.000 0.001 0.000 1.266 160 A HN 0.647 nan 8.150 nan 0.000 0.407 161 L N 1.567 122.927 121.223 0.228 0.000 2.334 161 L HA 0.712 5.051 4.340 -0.001 0.000 0.272 161 L C 0.059 177.069 176.870 0.232 0.000 1.020 161 L CA 0.002 55.034 54.840 0.320 0.000 0.812 161 L CB 1.764 44.025 42.059 0.337 0.000 1.264 161 L HN 0.751 nan 8.230 nan 0.000 0.439 162 K N 0.744 121.299 120.400 0.257 0.000 2.477 162 K HA 0.706 5.026 4.320 -0.001 0.000 0.255 162 K C 0.013 176.743 176.600 0.217 0.000 0.952 162 K CA -0.351 56.067 56.287 0.218 0.000 0.826 162 K CB 1.958 34.603 32.500 0.242 0.000 1.331 162 K HN 0.730 nan 8.250 nan 0.000 0.437 163 G N 2.159 111.059 108.800 0.166 0.000 2.596 163 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.295 163 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.295 163 G C 0.452 175.391 174.900 0.065 0.000 1.240 163 G CA 0.738 45.928 45.100 0.151 0.000 0.985 163 G HN 0.728 nan 8.290 nan 0.000 0.555 164 D N -0.228 120.185 120.400 0.022 0.000 2.221 164 D HA -0.013 4.627 4.640 -0.001 0.000 0.204 164 D C 2.452 178.595 176.300 -0.263 0.000 0.982 164 D CA 1.304 55.230 54.000 -0.122 0.000 0.857 164 D CB -0.098 40.615 40.800 -0.145 0.000 0.934 164 D HN 0.270 nan 8.370 nan 0.000 0.475 165 L N -0.043 120.933 121.223 -0.413 0.000 2.270 165 L HA 0.145 4.484 4.340 -0.001 0.000 0.210 165 L C 2.001 178.859 176.870 -0.020 0.000 1.104 165 L CA 0.775 55.432 54.840 -0.306 0.000 0.804 165 L CB -0.398 41.445 42.059 -0.360 0.000 0.937 165 L HN -0.062 nan 8.230 nan 0.000 0.450 166 A N -0.819 122.019 122.820 0.030 0.000 1.873 166 A HA -0.153 4.167 4.320 -0.001 0.000 0.215 166 A C 2.069 179.686 177.584 0.055 0.000 1.186 166 A CA 1.620 53.702 52.037 0.076 0.000 0.616 166 A CB -0.772 18.277 19.000 0.083 0.000 0.823 166 A HN 0.324 nan 8.150 nan 0.000 0.442 167 L N -1.750 119.500 121.223 0.044 0.000 2.079 167 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 167 L C 2.355 179.282 176.870 0.095 0.000 1.081 167 L CA 1.663 56.533 54.840 0.050 0.000 0.752 167 L CB -1.193 40.888 42.059 0.036 0.000 0.896 167 L HN 0.589 nan 8.230 nan 0.000 0.433 168 Y N 0.413 120.659 120.300 -0.091 0.000 2.220 168 Y HA -0.195 4.354 4.550 -0.001 0.000 0.291 168 Y C 2.615 178.468 175.900 -0.078 0.000 1.129 168 Y CA 1.624 59.662 58.100 -0.104 0.000 1.161 168 Y CB -0.255 38.099 38.460 -0.177 0.000 0.997 168 Y HN 0.375 nan 8.280 nan 0.000 0.522 169 E N -0.069 120.122 120.200 -0.015 0.000 2.070 169 E HA -0.232 4.118 4.350 -0.001 0.000 0.197 169 E C 2.134 178.672 176.600 -0.102 0.000 1.004 169 E CA 1.974 58.334 56.400 -0.068 0.000 0.805 169 E CB -0.356 29.378 29.700 0.058 0.000 0.744 169 E HN 0.534 nan 8.360 nan 0.000 0.451 170 L N 0.057 121.236 121.223 -0.073 0.000 2.093 170 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 170 L C 2.694 179.523 176.870 -0.069 0.000 1.085 170 L CA 0.868 55.645 54.840 -0.104 0.000 0.755 170 L CB -0.547 41.475 42.059 -0.061 0.000 0.904 170 L HN 0.220 nan 8.230 nan 0.000 0.435 171 A N 0.408 123.225 122.820 -0.006 0.000 1.902 171 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 171 A C 2.276 179.807 177.584 -0.088 0.000 1.181 171 A CA 1.382 53.451 52.037 0.053 0.000 0.623 171 A CB -0.643 18.451 19.000 0.156 0.000 0.818 171 A HN 0.346 nan 8.150 nan 0.000 0.443 172 L N -0.725 120.385 121.223 -0.189 0.000 2.046 172 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 172 L C 2.523 179.339 176.870 -0.091 0.000 1.077 172 L CA 0.988 55.704 54.840 -0.207 0.000 0.747 172 L CB -0.486 41.371 42.059 -0.336 0.000 0.896 172 L HN 0.371 nan 8.230 nan 0.000 0.432 173 L N -0.681 120.465 121.223 -0.128 0.000 2.083 173 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 173 L C 2.786 179.572 176.870 -0.140 0.000 1.083 173 L CA 0.845 55.598 54.840 -0.145 0.000 0.752 173 L CB -0.401 41.501 42.059 -0.260 0.000 0.899 173 L HN 0.214 nan 8.230 nan 0.000 0.433 174 R N 0.347 120.785 120.500 -0.104 0.000 2.073 174 R HA -0.189 4.151 4.340 -0.001 0.000 0.229 174 R C 2.201 178.477 176.300 -0.041 0.000 1.120 174 R CA 1.441 57.524 56.100 -0.028 0.000 0.967 174 R CB -0.861 29.502 30.300 0.104 0.000 0.862 174 R HN 0.260 nan 8.270 nan 0.000 0.436 175 F N 0.767 120.435 119.950 -0.470 0.000 2.091 175 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 175 F C 1.887 177.560 175.800 -0.211 0.000 1.103 175 F CA 1.924 59.518 58.000 -0.677 0.000 1.228 175 F CB -0.804 37.632 39.000 -0.940 0.000 0.984 175 F HN 0.104 nan 8.300 nan 0.000 0.477 176 A N 0.836 123.452 122.820 -0.341 0.000 1.902 176 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 176 A C 2.244 179.735 177.584 -0.155 0.000 1.181 176 A CA 1.840 53.685 52.037 -0.319 0.000 0.623 176 A CB -0.733 18.196 19.000 -0.117 0.000 0.818 176 A HN 0.464 nan 8.150 nan 0.000 0.443 177 M N 0.086 119.634 119.600 -0.086 0.000 2.080 177 M HA -0.152 4.328 4.480 -0.001 0.000 0.260 177 M C 1.466 177.755 176.300 -0.018 0.000 1.068 177 M CA 1.627 56.912 55.300 -0.025 0.000 1.109 177 M CB -1.491 31.101 32.600 -0.013 0.000 1.342 177 M HN 0.359 nan 8.290 nan 0.000 0.405 178 D N -0.390 120.003 120.400 -0.011 0.000 2.144 178 D HA -0.136 4.504 4.640 -0.001 0.000 0.200 178 D C 1.787 178.060 176.300 -0.046 0.000 0.978 178 D CA 0.887 54.901 54.000 0.023 0.000 0.833 178 D CB -0.502 40.395 40.800 0.162 0.000 0.961 178 D HN 0.294 nan 8.370 nan 0.000 0.470 179 F N 1.093 120.864 119.950 -0.300 0.000 2.102 179 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 179 F C 2.184 177.863 175.800 -0.202 0.000 1.105 179 F CA 1.273 59.075 58.000 -0.329 0.000 1.239 179 F CB -0.104 38.512 39.000 -0.639 0.000 0.991 179 F HN -0.195 nan 8.300 nan 0.000 0.474 180 M N 0.603 120.128 119.600 -0.124 0.000 2.086 180 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 180 M C 2.598 178.866 176.300 -0.052 0.000 1.067 180 M CA 1.755 56.968 55.300 -0.145 0.000 1.116 180 M CB -2.053 30.508 32.600 -0.065 0.000 1.348 180 M HN 0.332 nan 8.290 nan 0.000 0.407 181 A N -0.102 122.709 122.820 -0.015 0.000 1.917 181 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 181 A C 2.323 179.892 177.584 -0.026 0.000 1.182 181 A CA 2.037 54.085 52.037 0.018 0.000 0.633 181 A CB -0.646 18.365 19.000 0.017 0.000 0.819 181 A HN 0.412 nan 8.150 nan 0.000 0.448 182 R N -1.034 119.403 120.500 -0.106 0.000 2.148 182 R HA 0.063 4.402 4.340 -0.001 0.000 0.227 182 R C 1.638 177.836 176.300 -0.169 0.000 1.103 182 R CA 0.746 56.764 56.100 -0.136 0.000 0.983 182 R CB -0.058 30.133 30.300 -0.182 0.000 0.874 182 R HN 0.252 nan 8.270 nan 0.000 0.451 183 R N -0.436 119.933 120.500 -0.218 0.000 2.320 183 R HA 0.175 4.514 4.340 -0.001 0.000 0.211 183 R C 0.619 176.977 176.300 0.097 0.000 0.931 183 R CA 0.711 56.733 56.100 -0.129 0.000 1.071 183 R CB 0.149 30.300 30.300 -0.247 0.000 1.025 183 R HN 0.432 nan 8.270 nan 0.000 0.495 184 G N 0.505 109.347 108.800 0.070 0.000 2.141 184 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.242 184 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.242 184 G C -0.136 174.804 174.900 0.067 0.000 0.982 184 G CA -0.318 44.807 45.100 0.042 0.000 0.662 184 G HN 0.220 nan 8.290 nan 0.000 0.527 185 F N -0.323 119.604 119.950 -0.038 0.000 2.385 185 F HA 0.671 5.197 4.527 -0.001 0.000 0.336 185 F C 0.578 176.412 175.800 0.056 0.000 1.100 185 F CA -1.371 56.638 58.000 0.016 0.000 1.116 185 F CB 1.462 40.480 39.000 0.029 0.000 1.166 185 F HN 0.066 nan 8.300 nan 0.000 0.511 186 L N 7.255 128.620 121.223 0.238 0.000 2.278 186 L HA 0.453 4.793 4.340 -0.001 0.000 0.287 186 L C -2.370 174.632 176.870 0.220 0.000 1.072 186 L CA -2.113 52.853 54.840 0.212 0.000 0.819 186 L CB 0.138 42.355 42.059 0.263 0.000 1.176 186 L HN 0.237 nan 8.230 nan 0.000 0.435 187 P HA 0.224 nan 4.420 nan 0.000 0.276 187 P C -1.090 176.247 177.300 0.062 0.000 1.230 187 P CA -0.093 63.071 63.100 0.107 0.000 0.776 187 P CB 0.974 32.723 31.700 0.081 0.000 0.888 188 M N 1.744 121.373 119.600 0.049 0.000 2.421 188 M HA 0.317 4.796 4.480 -0.001 0.000 0.287 188 M C -0.335 175.989 176.300 0.039 0.000 1.183 188 M CA -0.422 54.875 55.300 -0.005 0.000 0.916 188 M CB 3.081 35.618 32.600 -0.104 0.000 1.701 188 M HN 0.282 nan 8.290 nan 0.000 0.470 189 T N 1.074 115.653 114.554 0.042 0.000 2.823 189 T HA 0.853 5.202 4.350 -0.001 0.000 0.279 189 T C -0.654 174.029 174.700 -0.029 0.000 0.998 189 T CA -0.772 61.386 62.100 0.097 0.000 0.994 189 T CB 1.286 70.267 68.868 0.189 0.000 0.960 189 T HN 0.547 nan 8.240 nan 0.000 0.448 190 L N 2.282 123.437 121.223 -0.113 0.000 2.301 190 L HA 0.646 4.985 4.340 -0.001 0.000 0.264 190 L C -2.265 174.490 176.870 -0.193 0.000 1.016 190 L CA -2.853 51.883 54.840 -0.174 0.000 0.821 190 L CB 1.869 43.798 42.059 -0.216 0.000 1.346 190 L HN 0.470 nan 8.230 nan 0.000 0.429 191 P HA 0.156 nan 4.420 nan 0.000 0.272 191 P C -0.379 176.749 177.300 -0.286 0.000 1.240 191 P CA -0.291 62.609 63.100 -0.334 0.000 0.791 191 P CB 0.596 31.871 31.700 -0.707 0.000 0.978 192 S N -0.778 114.834 115.700 -0.147 0.000 2.575 192 S HA 0.207 4.677 4.470 -0.001 0.000 0.237 192 S C -0.325 174.333 174.600 0.095 0.000 0.975 192 S CA -0.240 57.972 58.200 0.020 0.000 0.960 192 S CB -0.813 62.547 63.200 0.267 0.000 0.822 192 S HN 0.530 nan 8.310 nan 0.000 0.472 193 Y N -0.993 119.311 120.300 0.007 0.000 2.553 193 Y HA 0.920 5.470 4.550 -0.001 0.000 0.347 193 Y C -0.569 175.363 175.900 0.053 0.000 1.019 193 Y CA -1.756 56.377 58.100 0.056 0.000 1.032 193 Y CB 0.775 39.241 38.460 0.010 0.000 1.284 193 Y HN -0.028 nan 8.280 nan 0.000 0.466 194 A N 2.161 125.136 122.820 0.258 0.000 2.602 194 A HA 0.813 5.133 4.320 -0.001 0.000 0.290 194 A C -1.260 176.558 177.584 0.389 0.000 1.114 194 A CA -1.317 50.801 52.037 0.134 0.000 0.683 194 A CB 1.604 20.513 19.000 -0.151 0.000 1.281 194 A HN 0.839 nan 8.150 nan 0.000 0.416 195 R N -0.040 120.627 120.500 0.280 0.000 2.583 195 R HA 0.330 4.670 4.340 -0.001 0.000 0.268 195 R C 1.357 177.934 176.300 0.462 0.000 1.101 195 R CA 0.293 56.609 56.100 0.361 0.000 1.180 195 R CB 0.435 30.861 30.300 0.210 0.000 1.128 195 R HN 0.927 nan 8.270 nan 0.000 0.568 196 E N 0.983 121.477 120.200 0.489 0.000 2.160 196 E HA -0.303 4.046 4.350 -0.001 0.000 0.195 196 E C 1.136 177.865 176.600 0.214 0.000 0.991 196 E CA 1.450 58.048 56.400 0.330 0.000 0.810 196 E CB 0.168 30.116 29.700 0.414 0.000 0.742 196 E HN 0.265 nan 8.360 nan 0.000 0.466 197 K N 0.689 121.196 120.400 0.179 0.000 2.152 197 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 197 K C 1.699 178.318 176.600 0.030 0.000 1.048 197 K CA 1.423 57.770 56.287 0.100 0.000 0.933 197 K CB -0.491 32.059 32.500 0.084 0.000 0.721 197 K HN 0.227 nan 8.250 nan 0.000 0.447 198 A N -0.798 122.006 122.820 -0.026 0.000 1.968 198 A HA -0.008 4.312 4.320 -0.001 0.000 0.217 198 A C 1.933 179.345 177.584 -0.287 0.000 1.169 198 A CA 1.055 52.981 52.037 -0.185 0.000 0.638 198 A CB -0.612 18.198 19.000 -0.316 0.000 0.812 198 A HN 0.310 nan 8.150 nan 0.000 0.446 199 F N -0.145 119.618 119.950 -0.312 0.000 2.187 199 F HA 0.015 4.541 4.527 -0.001 0.000 0.295 199 F C 2.044 177.718 175.800 -0.209 0.000 1.091 199 F CA 0.985 58.703 58.000 -0.470 0.000 1.308 199 F CB -0.489 37.590 39.000 -1.535 0.000 1.030 199 F HN 0.067 nan 8.300 nan 0.000 0.487 200 L N -0.139 121.122 121.223 0.063 0.000 2.042 200 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 200 L C 2.764 179.659 176.870 0.041 0.000 1.076 200 L CA 1.540 56.447 54.840 0.112 0.000 0.749 200 L CB -1.446 40.674 42.059 0.101 0.000 0.893 200 L HN 0.276 nan 8.230 nan 0.000 0.432 201 G N -0.703 108.108 108.800 0.018 0.000 2.450 201 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 201 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 201 G C 1.608 176.546 174.900 0.063 0.000 1.130 201 G CA 1.403 46.511 45.100 0.013 0.000 0.760 201 G HN 0.490 nan 8.290 nan 0.000 0.557 202 T N -3.469 111.155 114.554 0.116 0.000 3.037 202 T HA 0.406 4.755 4.350 -0.001 0.000 0.252 202 T C 1.900 176.775 174.700 0.291 0.000 1.073 202 T CA 0.995 63.221 62.100 0.209 0.000 1.091 202 T CB 0.394 69.430 68.868 0.281 0.000 0.935 202 T HN 1.274 nan 8.240 nan 0.000 0.488 203 G N 0.666 109.625 108.800 0.265 0.000 2.218 203 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.216 203 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.216 203 G C 0.569 175.687 174.900 0.363 0.000 0.994 203 G CA 0.370 45.728 45.100 0.431 0.000 0.637 203 G HN 0.599 nan 8.290 nan 0.000 0.505 204 H N -0.591 118.750 119.070 0.450 0.000 2.353 204 H HA 0.202 4.757 4.556 -0.001 0.000 0.300 204 H C 0.855 176.568 175.328 0.641 0.000 1.090 204 H CA 1.796 58.184 56.048 0.567 0.000 1.327 204 H CB -0.002 30.012 29.762 0.420 0.000 1.383 204 H HN 0.343 nan 8.280 nan 0.000 0.508 205 F N 0.355 120.500 119.950 0.323 0.000 2.422 205 F HA 0.215 4.742 4.527 -0.001 0.000 0.333 205 F C -1.308 174.550 175.800 0.096 0.000 1.095 205 F CA -3.634 54.448 58.000 0.137 0.000 1.038 205 F CB 1.350 40.381 39.000 0.051 0.000 1.156 205 F HN -0.043 nan 8.300 nan 0.000 0.483 206 P HA -0.020 nan 4.420 nan 0.000 0.220 206 P C 1.264 178.588 177.300 0.040 0.000 1.154 206 P CA 1.362 64.514 63.100 0.087 0.000 0.830 206 P CB 0.229 31.938 31.700 0.014 0.000 0.803 207 A N -0.028 122.772 122.820 -0.032 0.000 1.954 207 A HA -0.212 4.107 4.320 -0.001 0.000 0.222 207 A C 1.297 178.710 177.584 -0.284 0.000 1.199 207 A CA 1.818 53.689 52.037 -0.275 0.000 0.657 207 A CB -1.874 16.749 19.000 -0.628 0.000 0.823 207 A HN 0.265 nan 8.150 nan 0.000 0.463 208 Y N -1.807 118.608 120.300 0.192 0.000 2.720 208 Y HA 0.349 4.899 4.550 -0.001 0.000 0.277 208 Y C 1.599 177.628 175.900 0.216 0.000 1.144 208 Y CA -0.348 57.874 58.100 0.203 0.000 1.221 208 Y CB -0.202 38.418 38.460 0.267 0.000 1.163 208 Y HN 0.317 nan 8.280 nan 0.000 0.537 209 R N 1.529 122.148 120.500 0.199 0.000 2.117 209 R HA -0.177 4.162 4.340 -0.001 0.000 0.243 209 R C 1.633 177.962 176.300 0.048 0.000 1.143 209 R CA 2.202 58.285 56.100 -0.029 0.000 0.968 209 R CB -0.142 29.920 30.300 -0.396 0.000 0.863 209 R HN 0.513 nan 8.270 nan 0.000 0.444 210 D N -0.876 119.578 120.400 0.091 0.000 2.371 210 D HA -0.141 4.498 4.640 -0.001 0.000 0.221 210 D C 0.845 177.238 176.300 0.155 0.000 0.986 210 D CA 0.525 54.592 54.000 0.111 0.000 0.899 210 D CB 0.048 40.905 40.800 0.095 0.000 0.902 210 D HN 0.237 nan 8.370 nan 0.000 0.530 211 Q N 0.090 120.006 119.800 0.193 0.000 2.320 211 Q HA 0.225 4.565 4.340 -0.001 0.000 0.201 211 Q C -0.444 175.628 176.000 0.120 0.000 0.910 211 Q CA 0.010 55.910 55.803 0.161 0.000 0.946 211 Q CB 1.036 29.892 28.738 0.197 0.000 1.062 211 Q HN 0.092 nan 8.270 nan 0.000 0.503 212 V N 0.826 120.841 119.914 0.167 0.000 2.487 212 V HA 0.298 4.418 4.120 -0.001 0.000 0.298 212 V C -0.895 175.369 176.094 0.284 0.000 1.028 212 V CA -1.040 61.374 62.300 0.190 0.000 0.860 212 V CB 1.413 33.368 31.823 0.221 0.000 0.991 212 V HN 0.264 nan 8.190 nan 0.000 0.427 213 W N 3.104 124.504 121.300 0.167 0.000 2.238 213 W HA 0.666 5.326 4.660 -0.001 0.000 0.321 213 W C 0.422 176.999 176.519 0.097 0.000 1.293 213 W CA -0.867 56.539 57.345 0.101 0.000 1.204 213 W CB 1.145 30.636 29.460 0.052 0.000 1.167 213 W HN 0.624 nan 8.180 nan 0.000 0.553 214 A N 4.310 127.272 122.820 0.235 0.000 2.306 214 A HA 0.741 5.061 4.320 -0.001 0.000 0.330 214 A C -0.645 176.873 177.584 -0.111 0.000 1.146 214 A CA -0.752 51.278 52.037 -0.013 0.000 0.827 214 A CB 0.652 19.580 19.000 -0.120 0.000 1.178 214 A HN 0.533 nan 8.150 nan 0.000 0.490 215 I N 2.031 122.480 120.570 -0.201 0.000 2.304 215 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 215 I C 0.946 176.939 176.117 -0.206 0.000 1.018 215 I CA -0.160 61.021 61.300 -0.199 0.000 1.260 215 I CB 1.316 39.191 38.000 -0.209 0.000 1.390 215 I HN 0.754 nan 8.210 nan 0.000 0.475 216 A N 5.480 128.195 122.820 -0.176 0.000 2.466 216 A HA 0.158 4.478 4.320 -0.001 0.000 0.238 216 A C 0.894 178.397 177.584 -0.133 0.000 1.074 216 A CA -0.041 51.907 52.037 -0.148 0.000 0.774 216 A CB 0.107 19.029 19.000 -0.130 0.000 1.015 216 A HN 0.830 nan 8.150 nan 0.000 0.498 217 E N -1.007 119.127 120.200 -0.111 0.000 2.586 217 E HA -0.162 4.187 4.350 -0.001 0.000 0.259 217 E C -0.095 176.447 176.600 -0.097 0.000 1.107 217 E CA 1.637 57.982 56.400 -0.091 0.000 0.754 217 E CB -1.983 27.668 29.700 -0.081 0.000 1.335 217 E HN 0.730 nan 8.360 nan 0.000 0.411 218 T N -0.102 114.381 114.554 -0.119 0.000 2.853 218 T HA 0.210 4.560 4.350 -0.001 0.000 0.311 218 T C -0.395 174.221 174.700 -0.139 0.000 1.307 218 T CA -0.390 61.635 62.100 -0.124 0.000 1.019 218 T CB 1.318 70.091 68.868 -0.158 0.000 1.264 218 T HN 0.089 nan 8.240 nan 0.000 0.497 219 D N 1.975 122.320 120.400 -0.092 0.000 2.491 219 D HA 0.196 4.835 4.640 -0.001 0.000 0.228 219 D C 0.112 176.369 176.300 -0.071 0.000 1.183 219 D CA -0.087 53.875 54.000 -0.063 0.000 0.827 219 D CB -0.102 40.716 40.800 0.031 0.000 0.989 219 D HN 0.262 nan 8.370 nan 0.000 0.494 220 L N 0.149 121.256 121.223 -0.193 0.000 2.333 220 L HA 0.511 4.850 4.340 -0.001 0.000 0.269 220 L C -0.949 175.743 176.870 -0.297 0.000 1.010 220 L CA -1.180 53.630 54.840 -0.050 0.000 0.818 220 L CB 1.534 43.608 42.059 0.024 0.000 1.306 220 L HN -0.117 nan 8.230 nan 0.000 0.430 221 Y N 0.866 121.288 120.300 0.203 0.000 2.545 221 Y HA 0.540 5.089 4.550 -0.001 0.000 0.348 221 Y C -0.354 175.711 175.900 0.276 0.000 1.002 221 Y CA -0.798 57.389 58.100 0.144 0.000 1.039 221 Y CB 1.673 40.052 38.460 -0.135 0.000 1.271 221 Y HN 0.266 nan 8.280 nan 0.000 0.467 222 L N 2.159 123.599 121.223 0.360 0.000 2.326 222 L HA 0.447 4.787 4.340 -0.001 0.000 0.278 222 L C 0.314 177.437 176.870 0.422 0.000 1.092 222 L CA -0.651 54.360 54.840 0.286 0.000 0.810 222 L CB 1.074 43.178 42.059 0.075 0.000 1.153 222 L HN 0.745 nan 8.230 nan 0.000 0.439 223 T N -1.110 113.637 114.554 0.322 0.000 2.889 223 T HA 0.312 4.662 4.350 -0.001 0.000 0.291 223 T C 1.003 175.758 174.700 0.093 0.000 0.995 223 T CA -0.355 61.856 62.100 0.184 0.000 1.092 223 T CB 1.651 70.459 68.868 -0.100 0.000 0.954 223 T HN 0.714 nan 8.240 nan 0.000 0.506 224 G N 0.452 109.257 108.800 0.008 0.000 3.042 224 G HA2 0.382 4.341 3.960 -0.001 0.000 0.212 224 G HA3 0.382 4.341 3.960 -0.001 0.000 0.212 224 G C 0.325 175.143 174.900 -0.138 0.000 1.166 224 G CA 0.160 45.229 45.100 -0.052 0.000 0.767 224 G HN 1.000 nan 8.290 nan 0.000 0.546 225 T N -2.048 112.397 114.554 -0.182 0.000 3.047 225 T HA 0.471 4.821 4.350 -0.001 0.000 0.340 225 T C 0.897 175.488 174.700 -0.181 0.000 1.421 225 T CA 0.409 62.419 62.100 -0.150 0.000 1.090 225 T CB 1.129 69.956 68.868 -0.069 0.000 1.292 225 T HN 0.183 nan 8.240 nan 0.000 0.480 226 A N 2.122 124.850 122.820 -0.153 0.000 2.067 226 A HA 0.038 4.358 4.320 -0.001 0.000 0.219 226 A C 1.891 179.378 177.584 -0.163 0.000 1.158 226 A CA 1.870 53.806 52.037 -0.170 0.000 0.661 226 A CB -0.642 18.277 19.000 -0.135 0.000 0.801 226 A HN 0.925 nan 8.150 nan 0.000 0.452 227 E N 0.208 120.358 120.200 -0.083 0.000 2.171 227 E HA -0.175 4.175 4.350 -0.001 0.000 0.197 227 E C 1.696 178.219 176.600 -0.129 0.000 0.997 227 E CA 1.641 58.022 56.400 -0.032 0.000 0.810 227 E CB -0.128 29.649 29.700 0.129 0.000 0.738 227 E HN 0.390 nan 8.360 nan 0.000 0.467 228 V N 0.288 120.073 119.914 -0.214 0.000 2.427 228 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 228 V C 2.339 178.217 176.094 -0.361 0.000 1.051 228 V CA 1.179 63.270 62.300 -0.348 0.000 1.048 228 V CB 0.022 31.442 31.823 -0.672 0.000 0.666 228 V HN 0.178 nan 8.190 nan 0.000 0.456 229 V N -0.865 118.848 119.914 -0.335 0.000 2.346 229 V HA -0.121 3.998 4.120 -0.001 0.000 0.244 229 V C 2.309 178.211 176.094 -0.319 0.000 1.037 229 V CA 1.209 63.319 62.300 -0.316 0.000 1.029 229 V CB -0.323 31.319 31.823 -0.302 0.000 0.663 229 V HN 0.376 nan 8.190 nan 0.000 0.454 230 L N 0.808 121.812 121.223 -0.365 0.000 2.079 230 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 230 L C 2.226 178.755 176.870 -0.569 0.000 1.081 230 L CA 1.923 56.472 54.840 -0.486 0.000 0.752 230 L CB -1.226 40.507 42.059 -0.543 0.000 0.896 230 L HN 0.428 nan 8.230 nan 0.000 0.433 231 N N -0.812 117.586 118.700 -0.503 0.000 2.354 231 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 231 N C 1.481 176.957 175.510 -0.057 0.000 1.021 231 N CA 0.912 53.841 53.050 -0.202 0.000 0.887 231 N CB 0.360 38.855 38.487 0.014 0.000 0.974 231 N HN 0.337 nan 8.380 nan 0.000 0.437 232 A N 0.675 123.416 122.820 -0.132 0.000 2.251 232 A HA 0.182 4.502 4.320 -0.001 0.000 0.209 232 A C 2.127 179.645 177.584 -0.110 0.000 1.187 232 A CA -0.199 51.782 52.037 -0.093 0.000 0.823 232 A CB -0.120 18.802 19.000 -0.130 0.000 0.846 232 A HN 0.223 nan 8.150 nan 0.000 0.486 233 L N -0.963 120.146 121.223 -0.190 0.000 1.994 233 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 233 L C 1.699 178.384 176.870 -0.308 0.000 1.071 233 L CA 1.051 55.698 54.840 -0.321 0.000 0.745 233 L CB -0.528 41.207 42.059 -0.541 0.000 0.892 233 L HN 0.482 nan 8.230 nan 0.000 0.431 234 H N -0.639 118.471 119.070 0.065 0.000 2.538 234 H HA 0.198 4.753 4.556 -0.001 0.000 0.286 234 H C 0.505 175.881 175.328 0.081 0.000 1.035 234 H CA -0.172 55.928 56.048 0.086 0.000 1.169 234 H CB 0.067 29.906 29.762 0.128 0.000 1.417 234 H HN 0.149 nan 8.280 nan 0.000 0.567 235 S N 0.164 115.941 115.700 0.130 0.000 2.515 235 S HA 0.242 4.712 4.470 -0.001 0.000 0.285 235 S C 1.369 176.027 174.600 0.096 0.000 1.265 235 S CA 0.625 58.892 58.200 0.111 0.000 1.079 235 S CB 0.530 63.770 63.200 0.066 0.000 0.877 235 S HN 0.754 nan 8.310 nan 0.000 0.493 236 G N 2.332 111.194 108.800 0.103 0.000 2.141 236 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.242 236 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.242 236 G C -0.203 174.738 174.900 0.070 0.000 0.982 236 G CA 0.260 45.405 45.100 0.075 0.000 0.662 236 G HN 0.695 nan 8.290 nan 0.000 0.527 237 E N -0.015 120.243 120.200 0.096 0.000 2.191 237 E HA 0.646 4.996 4.350 -0.001 0.000 0.274 237 E C 0.108 176.752 176.600 0.073 0.000 0.948 237 E CA -1.141 55.315 56.400 0.094 0.000 0.802 237 E CB 0.744 30.536 29.700 0.153 0.000 1.137 237 E HN 0.188 nan 8.360 nan 0.000 0.397 238 I N 5.870 126.467 120.570 0.045 0.000 2.359 238 I HA 0.212 4.382 4.170 -0.001 0.000 0.284 238 I C -0.334 175.808 176.117 0.041 0.000 1.018 238 I CA -0.626 60.691 61.300 0.027 0.000 1.173 238 I CB 0.685 38.679 38.000 -0.010 0.000 1.326 238 I HN 0.478 nan 8.210 nan 0.000 0.462 239 L N 8.296 129.555 121.223 0.060 0.000 2.397 239 L HA 0.333 4.672 4.340 -0.001 0.000 0.271 239 L C -2.004 174.912 176.870 0.076 0.000 1.148 239 L CA -1.576 53.281 54.840 0.029 0.000 0.825 239 L CB 0.302 42.341 42.059 -0.033 0.000 1.117 239 L HN 0.327 nan 8.230 nan 0.000 0.456 240 P HA -0.028 nan 4.420 nan 0.000 0.280 240 P C 0.101 177.468 177.300 0.111 0.000 1.244 240 P CA -0.332 62.817 63.100 0.082 0.000 0.784 240 P CB 0.703 32.428 31.700 0.042 0.000 0.913 241 Y N 3.799 124.139 120.300 0.066 0.000 2.173 241 Y HA -0.305 4.245 4.550 -0.001 0.000 0.282 241 Y C 2.090 177.968 175.900 -0.036 0.000 1.192 241 Y CA 2.386 60.515 58.100 0.048 0.000 1.176 241 Y CB -0.354 38.147 38.460 0.068 0.000 0.969 241 Y HN 0.399 nan 8.280 nan 0.000 0.519 242 E N -0.409 119.769 120.200 -0.036 0.000 2.274 242 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 242 E C 2.109 178.604 176.600 -0.174 0.000 0.996 242 E CA 0.987 57.321 56.400 -0.111 0.000 0.840 242 E CB -0.809 28.885 29.700 -0.010 0.000 0.772 242 E HN 0.530 nan 8.360 nan 0.000 0.491 243 A N 0.731 123.453 122.820 -0.163 0.000 2.209 243 A HA 0.114 4.434 4.320 -0.001 0.000 0.212 243 A C 0.913 178.342 177.584 -0.259 0.000 1.158 243 A CA 0.208 52.139 52.037 -0.177 0.000 0.742 243 A CB -0.196 18.713 19.000 -0.152 0.000 0.790 243 A HN 0.125 nan 8.150 nan 0.000 0.472 244 L N 0.685 121.699 121.223 -0.348 0.000 2.331 244 L HA 0.471 4.811 4.340 -0.001 0.000 0.275 244 L C -2.060 174.572 176.870 -0.397 0.000 1.022 244 L CA -1.964 52.629 54.840 -0.412 0.000 0.812 244 L CB 1.473 43.209 42.059 -0.539 0.000 1.257 244 L HN 0.049 nan 8.230 nan 0.000 0.435 245 P HA 0.175 nan 4.420 nan 0.000 0.275 245 P C -1.032 176.045 177.300 -0.371 0.000 1.227 245 P CA -0.351 62.541 63.100 -0.346 0.000 0.781 245 P CB 0.603 32.124 31.700 -0.298 0.000 0.906 246 L N 3.832 124.814 121.223 -0.402 0.000 2.369 246 L HA 0.258 4.598 4.340 -0.001 0.000 0.279 246 L C 1.201 177.724 176.870 -0.578 0.000 1.108 246 L CA -0.041 54.478 54.840 -0.535 0.000 0.852 246 L CB -0.019 41.639 42.059 -0.668 0.000 1.169 246 L HN 0.235 nan 8.230 nan 0.000 0.452 247 R N 3.828 123.956 120.500 -0.620 0.000 2.233 247 R HA 0.360 4.700 4.340 -0.001 0.000 0.334 247 R C -1.380 174.726 176.300 -0.324 0.000 1.037 247 R CA -0.612 55.014 56.100 -0.790 0.000 0.920 247 R CB 0.695 30.168 30.300 -1.378 0.000 1.137 247 R HN 0.326 nan 8.270 nan 0.000 0.492 248 Y N 0.630 121.025 120.300 0.160 0.000 2.341 248 Y HA 0.424 4.973 4.550 -0.001 0.000 0.337 248 Y C 0.319 176.464 175.900 0.409 0.000 1.014 248 Y CA -1.693 56.564 58.100 0.262 0.000 1.111 248 Y CB 2.040 40.638 38.460 0.228 0.000 1.194 248 Y HN 0.516 nan 8.280 nan 0.000 0.462 249 A N 2.767 125.870 122.820 0.472 0.000 2.394 249 A HA 0.695 5.015 4.320 -0.001 0.000 0.333 249 A C 0.335 178.029 177.584 0.184 0.000 1.397 249 A CA -0.265 51.944 52.037 0.286 0.000 0.884 249 A CB -0.355 18.762 19.000 0.195 0.000 1.147 249 A HN 0.839 nan 8.150 nan 0.000 0.505 250 G N 0.559 109.442 108.800 0.138 0.000 2.388 250 G HA2 0.505 4.465 3.960 -0.001 0.000 0.330 250 G HA3 0.505 4.465 3.960 -0.001 0.000 0.330 250 G C -1.016 173.934 174.900 0.083 0.000 1.142 250 G CA -0.419 44.718 45.100 0.062 0.000 0.908 250 G HN 0.713 nan 8.290 nan 0.000 0.473 251 Y N 1.485 121.778 120.300 -0.013 0.000 2.352 251 Y HA 0.714 5.263 4.550 -0.001 0.000 0.339 251 Y C -0.224 175.664 175.900 -0.020 0.000 0.992 251 Y CA -1.195 56.901 58.100 -0.007 0.000 1.100 251 Y CB 1.664 40.127 38.460 0.006 0.000 1.192 251 Y HN 0.805 nan 8.280 nan 0.000 0.458 252 A N 6.565 128.831 122.820 -0.922 0.000 2.594 252 A HA 0.703 5.023 4.320 -0.001 0.000 0.295 252 A C -3.139 174.005 177.584 -0.733 0.000 1.071 252 A CA -2.063 49.467 52.037 -0.844 0.000 0.685 252 A CB 1.241 19.997 19.000 -0.407 0.000 1.285 252 A HN 0.567 nan 8.150 nan 0.000 0.405 253 P HA 0.293 nan 4.420 nan 0.000 0.263 253 P C -0.438 176.594 177.300 -0.447 0.000 1.175 253 P CA 0.614 63.487 63.100 -0.378 0.000 0.761 253 P CB 0.648 32.253 31.700 -0.158 0.000 0.794 254 A N 3.288 125.633 122.820 -0.791 0.000 2.355 254 A HA 0.738 5.057 4.320 -0.001 0.000 0.317 254 A C -1.232 175.871 177.584 -0.801 0.000 1.094 254 A CA -0.413 51.169 52.037 -0.758 0.000 0.764 254 A CB 0.553 18.729 19.000 -1.374 0.000 1.230 254 A HN 0.339 nan 8.150 nan 0.000 0.448 255 F N 0.897 120.697 119.950 -0.251 0.000 2.482 255 F HA 0.741 5.267 4.527 -0.001 0.000 0.331 255 F C 0.462 176.135 175.800 -0.212 0.000 1.115 255 F CA -0.324 57.584 58.000 -0.153 0.000 0.955 255 F CB 2.441 41.456 39.000 0.025 0.000 1.136 255 F HN 0.557 nan 8.300 nan 0.000 0.452 256 R N 0.083 120.471 120.500 -0.187 0.000 2.538 256 R HA 0.296 4.635 4.340 -0.001 0.000 0.292 256 R C 0.740 176.747 176.300 -0.489 0.000 1.008 256 R CA -0.283 55.701 56.100 -0.194 0.000 0.896 256 R CB 1.902 32.223 30.300 0.035 0.000 1.187 256 R HN 0.694 nan 8.270 nan 0.000 0.440 257 S N 1.896 117.262 115.700 -0.558 0.000 2.399 257 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 257 S C 0.712 175.355 174.600 0.072 0.000 1.022 257 S CA 1.158 59.068 58.200 -0.482 0.000 0.983 257 S CB -0.169 62.986 63.200 -0.074 0.000 0.803 257 S HN 0.797 nan 8.310 nan 0.000 0.480 258 E N -0.114 120.131 120.200 0.075 0.000 2.637 258 E HA -0.201 4.149 4.350 -0.001 0.000 0.265 258 E C 0.171 176.866 176.600 0.159 0.000 1.073 258 E CA 0.585 57.059 56.400 0.124 0.000 0.778 258 E CB -1.926 27.852 29.700 0.129 0.000 1.362 258 E HN 0.832 nan 8.360 nan 0.000 0.413 259 A N 0.562 123.474 122.820 0.153 0.000 2.897 259 A HA 0.477 4.797 4.320 -0.001 0.000 0.287 259 A C 1.112 178.773 177.584 0.129 0.000 1.748 259 A CA 0.727 52.855 52.037 0.152 0.000 1.397 259 A CB -0.283 18.805 19.000 0.147 0.000 1.049 259 A HN 0.607 nan 8.150 nan 0.000 0.592 260 G N 0.599 109.476 108.800 0.129 0.000 5.021 260 G HA2 0.432 4.392 3.960 -0.001 0.000 0.254 260 G HA3 0.432 4.392 3.960 -0.001 0.000 0.254 260 G C 0.452 175.424 174.900 0.119 0.000 0.932 260 G CA 0.657 45.822 45.100 0.108 0.000 0.743 260 G HN 0.864 nan 8.290 nan 0.000 0.441 261 S N -0.934 114.852 115.700 0.143 0.000 4.138 261 S HA -0.245 4.224 4.470 -0.001 0.000 0.574 261 S C 0.019 174.789 174.600 0.284 0.000 1.895 261 S CA 1.653 59.956 58.200 0.172 0.000 4.239 261 S CB -0.883 62.396 63.200 0.131 0.000 0.264 261 S HN 1.405 nan 8.310 nan 0.000 0.489 262 F N -0.707 119.268 119.950 0.042 0.000 2.900 262 F HA 0.574 5.100 4.527 -0.001 0.000 0.321 262 F C 0.488 176.306 175.800 0.029 0.000 1.160 262 F CA 0.505 58.526 58.000 0.035 0.000 0.890 262 F CB 0.776 39.799 39.000 0.038 0.000 1.334 262 F HN 0.830 nan 8.300 nan 0.000 0.459 263 G N 1.443 110.081 108.800 -0.271 0.000 3.432 263 G HA2 0.200 4.160 3.960 -0.001 0.000 0.124 263 G HA3 0.200 4.160 3.960 -0.001 0.000 0.124 263 G C -0.909 173.862 174.900 -0.214 0.000 1.237 263 G CA -0.574 44.450 45.100 -0.126 0.000 1.347 263 G HN 0.370 nan 8.290 nan 0.000 0.654 264 K N 1.841 122.062 120.400 -0.298 0.000 2.219 264 K HA 0.269 4.589 4.320 -0.001 0.000 0.258 264 K C -0.905 175.453 176.600 -0.404 0.000 1.008 264 K CA -0.102 56.044 56.287 -0.235 0.000 0.928 264 K CB 0.704 33.098 32.500 -0.176 0.000 0.983 264 K HN 0.329 nan 8.250 nan 0.000 0.484 265 D N 0.981 121.300 120.400 -0.135 0.000 2.541 265 D HA -0.013 4.627 4.640 -0.001 0.000 0.231 265 D C -0.231 176.051 176.300 -0.030 0.000 1.163 265 D CA 0.138 54.155 54.000 0.029 0.000 1.077 265 D CB 0.061 40.939 40.800 0.131 0.000 1.110 265 D HN -0.003 nan 8.370 nan 0.000 0.499 266 V N 3.348 123.124 119.914 -0.230 0.000 2.071 266 V HA 0.163 4.283 4.120 -0.001 0.000 0.254 266 V C 0.192 176.347 176.094 0.100 0.000 1.456 266 V CA -0.058 62.176 62.300 -0.109 0.000 1.383 266 V CB -0.846 30.820 31.823 -0.262 0.000 1.433 266 V HN 0.334 nan 8.190 nan 0.000 0.499 267 R N 2.390 122.989 120.500 0.165 0.000 2.810 267 R HA 0.853 5.192 4.340 -0.001 0.000 0.245 267 R C 0.888 177.316 176.300 0.213 0.000 1.168 267 R CA 0.019 56.252 56.100 0.221 0.000 1.096 267 R CB 1.255 31.693 30.300 0.230 0.000 1.259 267 R HN 0.676 nan 8.270 nan 0.000 0.518 268 G N 0.143 109.126 108.800 0.305 0.000 2.498 268 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.251 268 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.251 268 G C 0.078 175.176 174.900 0.330 0.000 1.170 268 G CA -0.237 45.065 45.100 0.335 0.000 0.944 268 G HN 0.435 nan 8.290 nan 0.000 0.567 269 L N 0.262 121.643 121.223 0.262 0.000 2.741 269 L HA 0.396 4.735 4.340 -0.001 0.000 0.237 269 L C 2.340 179.085 176.870 -0.208 0.000 1.178 269 L CA 0.197 54.990 54.840 -0.077 0.000 0.973 269 L CB 0.198 42.129 42.059 -0.213 0.000 1.255 269 L HN 0.507 nan 8.230 nan 0.000 0.498 270 M N -0.433 119.095 119.600 -0.119 0.000 2.325 270 M HA 0.099 4.578 4.480 -0.001 0.000 0.265 270 M C 0.727 176.907 176.300 -0.200 0.000 1.094 270 M CA 1.377 56.565 55.300 -0.187 0.000 1.161 270 M CB 0.417 32.943 32.600 -0.124 0.000 1.358 270 M HN -0.038 nan 8.290 nan 0.000 0.446 271 R N 0.331 120.750 120.500 -0.134 0.000 2.521 271 R HA 0.514 4.853 4.340 -0.001 0.000 0.295 271 R C -1.694 174.539 176.300 -0.113 0.000 1.183 271 R CA -0.392 55.620 56.100 -0.147 0.000 0.957 271 R CB 1.466 31.709 30.300 -0.095 0.000 1.171 271 R HN 0.125 nan 8.270 nan 0.000 0.494 272 V N -0.934 118.899 119.914 -0.135 0.000 3.074 272 V HA 0.424 4.544 4.120 -0.001 0.000 0.314 272 V C 0.836 176.887 176.094 -0.073 0.000 1.117 272 V CA -0.843 61.417 62.300 -0.066 0.000 1.014 272 V CB 2.045 33.940 31.823 0.119 0.000 1.057 272 V HN 0.705 nan 8.190 nan 0.000 0.438 273 H N 0.346 119.494 119.070 0.130 0.000 2.524 273 H HA 0.173 4.728 4.556 -0.001 0.000 0.282 273 H C 0.596 175.909 175.328 -0.025 0.000 1.016 273 H CA 1.405 57.455 56.048 0.002 0.000 1.270 273 H CB 0.558 30.360 29.762 0.067 0.000 1.394 273 H HN 0.768 nan 8.280 nan 0.000 0.568 274 Q N -0.126 119.769 119.800 0.159 0.000 2.289 274 Q HA 0.415 4.755 4.340 -0.001 0.000 0.270 274 Q C -1.553 174.498 176.000 0.086 0.000 1.038 274 Q CA -0.702 54.997 55.803 -0.175 0.000 0.812 274 Q CB 1.769 30.337 28.738 -0.282 0.000 1.300 274 Q HN 0.090 nan 8.270 nan 0.000 0.427 275 F N -0.889 118.888 119.950 -0.290 0.000 2.923 275 F HA 0.623 5.149 4.527 -0.001 0.000 0.323 275 F C -1.478 174.129 175.800 -0.322 0.000 1.189 275 F CA -1.077 56.834 58.000 -0.150 0.000 0.930 275 F CB 1.315 40.257 39.000 -0.097 0.000 1.414 275 F HN 0.406 nan 8.300 nan 0.000 0.496 276 H N 0.935 120.126 119.070 0.203 0.000 2.538 276 H HA 0.518 5.073 4.556 -0.001 0.000 0.353 276 H C -1.405 174.026 175.328 0.172 0.000 1.109 276 H CA -0.878 55.246 56.048 0.128 0.000 1.192 276 H CB 2.283 32.212 29.762 0.278 0.000 1.555 276 H HN 0.648 nan 8.280 nan 0.000 0.518 277 K N 2.615 123.110 120.400 0.157 0.000 2.535 277 K HA 0.348 4.667 4.320 -0.001 0.000 0.250 277 K C -1.411 175.281 176.600 0.153 0.000 0.948 277 K CA -0.596 55.779 56.287 0.147 0.000 0.796 277 K CB 1.860 34.401 32.500 0.068 0.000 1.216 277 K HN 0.250 nan 8.250 nan 0.000 0.432 278 V N 3.138 123.153 119.914 0.167 0.000 2.465 278 V HA 0.295 4.414 4.120 -0.001 0.000 0.279 278 V C -0.244 175.894 176.094 0.073 0.000 1.045 278 V CA -0.436 61.950 62.300 0.143 0.000 0.938 278 V CB 1.219 33.108 31.823 0.110 0.000 0.986 278 V HN 0.777 nan 8.190 nan 0.000 0.467 279 E N 3.619 123.864 120.200 0.075 0.000 2.222 279 E HA 0.424 4.773 4.350 -0.001 0.000 0.267 279 E C -0.860 175.812 176.600 0.119 0.000 0.884 279 E CA -0.516 55.933 56.400 0.082 0.000 0.764 279 E CB 1.660 31.407 29.700 0.079 0.000 1.169 279 E HN 0.667 nan 8.360 nan 0.000 0.413 280 Q N 2.934 122.796 119.800 0.103 0.000 2.296 280 Q HA 0.303 4.642 4.340 -0.001 0.000 0.257 280 Q C -1.309 174.876 176.000 0.310 0.000 0.942 280 Q CA -0.614 55.272 55.803 0.138 0.000 0.939 280 Q CB 1.363 30.072 28.738 -0.049 0.000 1.198 280 Q HN 0.569 nan 8.270 nan 0.000 0.429 281 Y N 2.053 122.528 120.300 0.292 0.000 2.406 281 Y HA 0.524 5.073 4.550 -0.001 0.000 0.340 281 Y C -1.526 174.487 175.900 0.189 0.000 0.975 281 Y CA -0.852 57.383 58.100 0.226 0.000 1.056 281 Y CB 1.235 39.833 38.460 0.230 0.000 1.210 281 Y HN 0.372 nan 8.280 nan 0.000 0.448 282 V N 7.681 127.336 119.914 -0.431 0.000 2.588 282 V HA 0.437 4.557 4.120 -0.001 0.000 0.304 282 V C -0.985 174.784 176.094 -0.543 0.000 1.042 282 V CA -0.933 61.153 62.300 -0.358 0.000 0.877 282 V CB 1.893 33.616 31.823 -0.167 0.000 0.996 282 V HN 0.775 nan 8.190 nan 0.000 0.425 283 L N 4.116 125.117 121.223 -0.371 0.000 2.319 283 L HA 0.768 5.107 4.340 -0.001 0.000 0.281 283 L C -0.131 176.601 176.870 -0.230 0.000 1.005 283 L CA 0.386 55.092 54.840 -0.222 0.000 0.828 283 L CB 1.773 43.807 42.059 -0.042 0.000 1.227 283 L HN 0.809 nan 8.230 nan 0.000 0.415 284 T N 2.318 116.756 114.554 -0.193 0.000 2.858 284 T HA 0.345 4.694 4.350 -0.001 0.000 0.285 284 T C -0.869 173.603 174.700 -0.380 0.000 1.052 284 T CA -0.573 61.367 62.100 -0.266 0.000 1.009 284 T CB 1.384 70.150 68.868 -0.169 0.000 1.241 284 T HN 0.759 nan 8.240 nan 0.000 0.542 285 E N 0.745 120.652 120.200 -0.488 0.000 2.392 285 E HA 0.493 4.843 4.350 -0.001 0.000 0.259 285 E C -0.107 176.190 176.600 -0.506 0.000 1.108 285 E CA -0.580 55.408 56.400 -0.687 0.000 0.916 285 E CB 0.724 30.193 29.700 -0.384 0.000 0.989 285 E HN 0.581 nan 8.360 nan 0.000 0.432 286 A N 2.885 125.461 122.820 -0.408 0.000 2.958 286 A HA 0.161 4.481 4.320 -0.001 0.000 0.247 286 A C -0.067 177.039 177.584 -0.797 0.000 1.679 286 A CA 0.033 51.452 52.037 -1.029 0.000 1.345 286 A CB -1.204 17.538 19.000 -0.430 0.000 1.013 286 A HN 0.544 nan 8.150 nan 0.000 0.641 287 S N -0.670 114.738 115.700 -0.487 0.000 2.536 287 S HA 0.582 5.052 4.470 -0.001 0.000 0.298 287 S C 0.798 175.438 174.600 0.066 0.000 1.083 287 S CA -0.764 57.350 58.200 -0.143 0.000 0.995 287 S CB 1.239 64.405 63.200 -0.056 0.000 1.058 287 S HN 0.280 nan 8.310 nan 0.000 0.488 288 L N 1.117 122.419 121.223 0.132 0.000 2.081 288 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 288 L C 2.987 179.890 176.870 0.055 0.000 1.080 288 L CA 1.880 56.765 54.840 0.074 0.000 0.754 288 L CB -0.365 41.703 42.059 0.016 0.000 0.893 288 L HN 0.933 nan 8.230 nan 0.000 0.433 289 E N 0.428 120.655 120.200 0.045 0.000 2.077 289 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 289 E C 2.044 178.659 176.600 0.026 0.000 0.989 289 E CA 1.484 57.905 56.400 0.035 0.000 0.800 289 E CB 0.111 29.828 29.700 0.028 0.000 0.746 289 E HN 0.469 nan 8.360 nan 0.000 0.452 290 A N 0.699 123.528 122.820 0.014 0.000 1.858 290 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 290 A C 2.515 180.114 177.584 0.025 0.000 1.190 290 A CA 2.025 54.056 52.037 -0.009 0.000 0.617 290 A CB -1.042 17.920 19.000 -0.063 0.000 0.827 290 A HN 0.344 nan 8.150 nan 0.000 0.443 291 S N -0.361 115.387 115.700 0.079 0.000 2.374 291 S HA -0.210 4.260 4.470 -0.001 0.000 0.227 291 S C 1.608 176.256 174.600 0.079 0.000 1.037 291 S CA 1.894 60.150 58.200 0.093 0.000 1.024 291 S CB -0.533 62.715 63.200 0.081 0.000 0.861 291 S HN 0.582 nan 8.310 nan 0.000 0.456 292 D N 0.261 120.692 120.400 0.051 0.000 2.224 292 D HA 0.038 4.678 4.640 -0.001 0.000 0.205 292 D C 2.229 178.583 176.300 0.090 0.000 0.965 292 D CA 0.594 54.623 54.000 0.048 0.000 0.852 292 D CB -0.143 40.667 40.800 0.018 0.000 0.947 292 D HN 0.366 nan 8.370 nan 0.000 0.494 293 R N 0.403 120.942 120.500 0.064 0.000 2.073 293 R HA 0.075 4.414 4.340 -0.001 0.000 0.229 293 R C 2.184 178.524 176.300 0.066 0.000 1.120 293 R CA 1.053 57.185 56.100 0.052 0.000 0.967 293 R CB -0.153 30.159 30.300 0.020 0.000 0.862 293 R HN 0.082 nan 8.270 nan 0.000 0.436 294 A N 0.820 123.679 122.820 0.066 0.000 1.877 294 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 294 A C 1.954 179.602 177.584 0.106 0.000 1.186 294 A CA 1.088 53.163 52.037 0.063 0.000 0.620 294 A CB -0.690 18.329 19.000 0.032 0.000 0.822 294 A HN 0.333 nan 8.150 nan 0.000 0.443 295 F N 0.496 120.437 119.950 -0.013 0.000 2.091 295 F HA -0.263 4.263 4.527 -0.001 0.000 0.299 295 F C 2.548 178.334 175.800 -0.023 0.000 1.103 295 F CA 2.430 60.415 58.000 -0.025 0.000 1.228 295 F CB -0.269 38.700 39.000 -0.052 0.000 0.984 295 F HN 0.389 nan 8.300 nan 0.000 0.477 296 Q N -0.005 119.901 119.800 0.176 0.000 2.167 296 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 296 Q C 2.294 178.292 176.000 -0.002 0.000 0.970 296 Q CA 1.677 57.525 55.803 0.075 0.000 0.855 296 Q CB -0.309 28.489 28.738 0.099 0.000 0.911 296 Q HN 0.633 nan 8.270 nan 0.000 0.438 297 E N -0.256 119.956 120.200 0.019 0.000 2.047 297 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 297 E C 1.863 178.458 176.600 -0.007 0.000 0.987 297 E CA 0.801 57.221 56.400 0.033 0.000 0.799 297 E CB 0.059 29.809 29.700 0.083 0.000 0.752 297 E HN 0.305 nan 8.360 nan 0.000 0.449 298 L N 0.833 122.029 121.223 -0.045 0.000 2.042 298 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 298 L C 2.395 179.143 176.870 -0.204 0.000 1.076 298 L CA 1.179 55.946 54.840 -0.122 0.000 0.749 298 L CB -0.767 41.197 42.059 -0.158 0.000 0.893 298 L HN 0.258 nan 8.230 nan 0.000 0.432 299 L N -0.788 120.278 121.223 -0.261 0.000 2.072 299 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 299 L C 2.422 179.187 176.870 -0.174 0.000 1.079 299 L CA 1.519 56.203 54.840 -0.259 0.000 0.752 299 L CB -0.610 41.287 42.059 -0.270 0.000 0.906 299 L HN 0.330 nan 8.230 nan 0.000 0.436 300 E N -0.874 119.267 120.200 -0.098 0.000 2.204 300 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 300 E C 1.823 178.400 176.600 -0.039 0.000 0.989 300 E CA 1.179 57.550 56.400 -0.048 0.000 0.824 300 E CB -0.126 29.575 29.700 0.001 0.000 0.756 300 E HN 0.638 nan 8.360 nan 0.000 0.477 301 N N 0.492 119.169 118.700 -0.039 0.000 2.135 301 N HA -0.115 4.625 4.740 -0.001 0.000 0.186 301 N C 1.941 177.365 175.510 -0.143 0.000 1.027 301 N CA 0.831 53.913 53.050 0.054 0.000 0.849 301 N CB -0.080 38.407 38.487 0.001 0.000 1.002 301 N HN 0.067 nan 8.380 nan 0.000 0.425 302 A N 1.496 124.154 122.820 -0.270 0.000 1.902 302 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 302 A C 1.957 179.183 177.584 -0.596 0.000 1.181 302 A CA 1.320 53.049 52.037 -0.513 0.000 0.623 302 A CB -0.412 18.230 19.000 -0.598 0.000 0.818 302 A HN 0.278 nan 8.150 nan 0.000 0.443 303 E N -0.886 119.038 120.200 -0.461 0.000 2.077 303 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 303 E C 2.084 178.493 176.600 -0.319 0.000 0.989 303 E CA 1.356 57.463 56.400 -0.488 0.000 0.800 303 E CB -0.080 29.494 29.700 -0.210 0.000 0.746 303 E HN 0.680 nan 8.360 nan 0.000 0.452 304 E N 1.213 121.293 120.200 -0.200 0.000 2.047 304 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 304 E C 1.890 178.299 176.600 -0.318 0.000 0.987 304 E CA 0.861 57.189 56.400 -0.120 0.000 0.799 304 E CB -0.235 29.529 29.700 0.108 0.000 0.752 304 E HN 0.205 nan 8.360 nan 0.000 0.449 305 I N 0.276 120.462 120.570 -0.641 0.000 2.118 305 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 305 I C 2.300 178.285 176.117 -0.219 0.000 1.070 305 I CA 1.270 62.222 61.300 -0.580 0.000 1.327 305 I CB -0.306 37.335 38.000 -0.598 0.000 1.034 305 I HN 0.189 nan 8.210 nan 0.000 0.405 306 L N -0.159 120.897 121.223 -0.280 0.000 2.201 306 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 306 L C 2.674 179.530 176.870 -0.022 0.000 1.105 306 L CA 1.061 55.795 54.840 -0.176 0.000 0.775 306 L CB -0.488 41.328 42.059 -0.405 0.000 0.913 306 L HN 0.178 nan 8.230 nan 0.000 0.440 307 R N -0.680 119.813 120.500 -0.012 0.000 2.090 307 R HA -0.113 4.226 4.340 -0.001 0.000 0.228 307 R C 2.095 178.431 176.300 0.061 0.000 1.110 307 R CA 0.860 57.011 56.100 0.085 0.000 0.973 307 R CB -0.168 30.185 30.300 0.088 0.000 0.869 307 R HN 0.159 nan 8.270 nan 0.000 0.440 308 L N 0.188 121.433 121.223 0.037 0.000 2.141 308 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 308 L C 1.654 178.517 176.870 -0.012 0.000 1.094 308 L CA 1.371 56.248 54.840 0.062 0.000 0.763 308 L CB -0.355 41.815 42.059 0.186 0.000 0.908 308 L HN 0.131 nan 8.230 nan 0.000 0.437 309 L N -0.313 120.906 121.223 -0.007 0.000 2.599 309 L HA 0.054 4.394 4.340 -0.001 0.000 0.230 309 L C 0.672 177.631 176.870 0.148 0.000 1.141 309 L CA 0.331 55.174 54.840 0.005 0.000 0.877 309 L CB -0.864 41.191 42.059 -0.008 0.000 1.009 309 L HN 0.341 nan 8.230 nan 0.000 0.447 310 E N 0.026 120.300 120.200 0.124 0.000 2.230 310 E HA -0.237 4.112 4.350 -0.001 0.000 0.206 310 E C -0.551 176.198 176.600 0.248 0.000 1.309 310 E CA 0.197 56.699 56.400 0.170 0.000 0.697 310 E CB -1.466 28.301 29.700 0.113 0.000 1.146 310 E HN 0.328 nan 8.360 nan 0.000 0.363 311 L N 0.789 122.122 121.223 0.182 0.000 2.362 311 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 311 L C -2.051 174.951 176.870 0.220 0.000 1.002 311 L CA -2.305 52.626 54.840 0.151 0.000 0.818 311 L CB 1.594 43.716 42.059 0.106 0.000 1.298 311 L HN -0.089 nan 8.230 nan 0.000 0.420 312 P HA 0.268 nan 4.420 nan 0.000 0.286 312 P C -1.747 175.730 177.300 0.295 0.000 1.269 312 P CA -0.077 63.104 63.100 0.135 0.000 0.787 312 P CB 0.789 32.533 31.700 0.073 0.000 0.920 313 Y N 0.771 121.190 120.300 0.199 0.000 2.655 313 Y HA 0.787 5.337 4.550 -0.001 0.000 0.336 313 Y C -0.645 175.313 175.900 0.097 0.000 1.154 313 Y CA -1.497 56.737 58.100 0.223 0.000 1.055 313 Y CB 1.506 40.016 38.460 0.083 0.000 1.295 313 Y HN 0.521 nan 8.280 nan 0.000 0.465 314 R N 0.945 121.546 120.500 0.168 0.000 2.774 314 R HA 0.794 5.134 4.340 -0.001 0.000 0.272 314 R C -2.371 173.972 176.300 0.072 0.000 1.000 314 R CA -1.003 55.048 56.100 -0.082 0.000 0.906 314 R CB 1.803 31.824 30.300 -0.465 0.000 1.227 314 R HN 0.603 nan 8.270 nan 0.000 0.468 315 L N 1.338 122.583 121.223 0.037 0.000 2.322 315 L HA 0.569 4.908 4.340 -0.001 0.000 0.279 315 L C -0.792 176.083 176.870 0.008 0.000 1.036 315 L CA -0.699 54.171 54.840 0.050 0.000 0.807 315 L CB 2.197 44.296 42.059 0.066 0.000 1.226 315 L HN 0.493 nan 8.230 nan 0.000 0.433 316 V N 1.916 121.845 119.914 0.024 0.000 2.525 316 V HA 0.304 4.424 4.120 -0.001 0.000 0.299 316 V C -0.438 175.688 176.094 0.053 0.000 1.034 316 V CA -0.833 61.478 62.300 0.020 0.000 0.863 316 V CB 1.832 33.660 31.823 0.008 0.000 0.999 316 V HN 0.687 nan 8.190 nan 0.000 0.423 317 E N 3.994 124.233 120.200 0.064 0.000 2.220 317 E HA 0.279 4.628 4.350 -0.001 0.000 0.272 317 E C -0.501 176.144 176.600 0.075 0.000 1.099 317 E CA 0.086 56.548 56.400 0.103 0.000 0.907 317 E CB 0.936 30.707 29.700 0.118 0.000 1.022 317 E HN 0.449 nan 8.360 nan 0.000 0.428 318 V N 4.095 124.058 119.914 0.081 0.000 2.583 318 V HA 0.403 4.523 4.120 -0.001 0.000 0.287 318 V C 0.763 176.882 176.094 0.040 0.000 1.051 318 V CA -0.168 62.163 62.300 0.052 0.000 1.010 318 V CB 1.019 32.872 31.823 0.051 0.000 0.988 318 V HN 0.876 nan 8.190 nan 0.000 0.478 319 A N 3.440 126.267 122.820 0.011 0.000 2.313 319 A HA 0.414 4.733 4.320 -0.001 0.000 0.261 319 A C 1.580 179.151 177.584 -0.022 0.000 1.090 319 A CA 0.349 52.376 52.037 -0.017 0.000 0.807 319 A CB 0.194 19.180 19.000 -0.023 0.000 1.055 319 A HN 1.100 nan 8.150 nan 0.000 0.492 320 T N -1.523 113.002 114.554 -0.048 0.000 2.788 320 T HA -0.058 4.291 4.350 -0.001 0.000 0.268 320 T C 1.559 176.238 174.700 -0.035 0.000 1.044 320 T CA 1.602 63.670 62.100 -0.054 0.000 1.139 320 T CB -0.580 68.239 68.868 -0.082 0.000 0.867 320 T HN 0.957 nan 8.240 nan 0.000 0.454 321 G N 0.099 108.883 108.800 -0.027 0.000 2.920 321 G HA2 0.080 4.040 3.960 -0.001 0.000 0.208 321 G HA3 0.080 4.040 3.960 -0.001 0.000 0.208 321 G C 1.067 175.968 174.900 0.002 0.000 1.159 321 G CA 0.547 45.639 45.100 -0.014 0.000 0.784 321 G HN 0.548 nan 8.290 nan 0.000 0.535 322 D N 0.025 120.428 120.400 0.005 0.000 2.469 322 D HA 0.019 4.659 4.640 -0.001 0.000 0.240 322 D C 2.633 178.950 176.300 0.027 0.000 1.087 322 D CA 0.105 54.117 54.000 0.020 0.000 0.876 322 D CB -0.034 40.775 40.800 0.016 0.000 1.160 322 D HN 0.299 nan 8.370 nan 0.000 0.497 323 M N -1.080 118.529 119.600 0.016 0.000 2.460 323 M HA 0.269 4.749 4.480 -0.001 0.000 0.263 323 M C 0.979 177.289 176.300 0.016 0.000 1.071 323 M CA 1.068 56.377 55.300 0.016 0.000 1.096 323 M CB -0.159 32.445 32.600 0.007 0.000 1.408 323 M HN -0.053 nan 8.290 nan 0.000 0.463 324 G N 0.523 109.337 108.800 0.022 0.000 2.662 324 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.686 324 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.686 324 G C -2.747 172.099 174.900 -0.088 0.000 1.271 324 G CA -0.655 44.473 45.100 0.047 0.000 0.816 324 G HN 0.131 nan 8.290 nan 0.000 0.608 325 P HA 0.036 nan 4.420 nan 0.000 0.216 325 P C 1.951 178.820 177.300 -0.719 0.000 1.153 325 P CA 2.111 65.062 63.100 -0.247 0.000 0.848 325 P CB 0.024 31.679 31.700 -0.076 0.000 0.787 326 G N -1.270 106.783 108.800 -1.245 0.000 2.650 326 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.214 326 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.214 326 G C 0.481 174.895 174.900 -0.811 0.000 1.136 326 G CA 0.172 44.028 45.100 -2.073 0.000 0.789 326 G HN 0.217 nan 8.290 nan 0.000 0.536 327 K N -0.290 119.875 120.400 -0.392 0.000 2.218 327 K HA 0.240 4.559 4.320 -0.001 0.000 0.276 327 K C 0.419 177.016 176.600 -0.005 0.000 1.022 327 K CA -0.833 55.378 56.287 -0.127 0.000 0.946 327 K CB 1.353 33.820 32.500 -0.056 0.000 1.000 327 K HN 0.239 nan 8.250 nan 0.000 0.468 328 W N 3.616 124.833 121.300 -0.138 0.000 2.574 328 W HA 0.139 4.799 4.660 -0.001 0.000 0.282 328 W C -0.371 176.111 176.519 -0.062 0.000 1.197 328 W CA 0.532 57.816 57.345 -0.102 0.000 1.376 328 W CB 0.688 30.050 29.460 -0.164 0.000 1.091 328 W HN 0.282 nan 8.180 nan 0.000 0.569 329 R N 1.206 121.628 120.500 -0.130 0.000 2.651 329 R HA 0.250 4.590 4.340 -0.001 0.000 0.278 329 R C -1.510 174.785 176.300 -0.008 0.000 1.010 329 R CA -0.462 55.444 56.100 -0.324 0.000 0.896 329 R CB 2.287 32.062 30.300 -0.875 0.000 1.211 329 R HN 0.046 nan 8.270 nan 0.000 0.456 330 Q N 2.133 121.975 119.800 0.070 0.000 2.285 330 Q HA 0.454 4.794 4.340 -0.001 0.000 0.269 330 Q C -1.743 174.364 176.000 0.178 0.000 1.030 330 Q CA -0.610 55.286 55.803 0.156 0.000 0.788 330 Q CB 2.542 31.333 28.738 0.088 0.000 1.266 330 Q HN 0.333 nan 8.270 nan 0.000 0.438 331 V N 4.048 124.088 119.914 0.210 0.000 2.443 331 V HA 0.299 4.418 4.120 -0.001 0.000 0.293 331 V C -0.830 175.297 176.094 0.056 0.000 1.021 331 V CA -0.760 61.624 62.300 0.140 0.000 0.848 331 V CB 1.779 33.708 31.823 0.177 0.000 0.998 331 V HN 0.787 nan 8.190 nan 0.000 0.424 332 D N 4.361 124.792 120.400 0.050 0.000 2.264 332 D HA 0.530 5.169 4.640 -0.001 0.000 0.249 332 D C -0.216 176.106 176.300 0.038 0.000 1.070 332 D CA 0.060 54.084 54.000 0.039 0.000 0.912 332 D CB 1.925 42.748 40.800 0.038 0.000 1.193 332 D HN 0.321 nan 8.370 nan 0.000 0.427 333 I N 1.324 121.924 120.570 0.050 0.000 2.436 333 I HA 0.225 4.395 4.170 -0.001 0.000 0.289 333 I C 0.084 176.269 176.117 0.114 0.000 1.010 333 I CA -0.603 60.729 61.300 0.055 0.000 1.098 333 I CB 1.559 39.527 38.000 -0.054 0.000 1.266 333 I HN 0.042 nan 8.210 nan 0.000 0.434 334 E N 5.246 125.543 120.200 0.161 0.000 2.187 334 E HA 0.532 4.882 4.350 -0.001 0.000 0.268 334 E C -1.192 175.632 176.600 0.374 0.000 0.896 334 E CA -0.741 55.794 56.400 0.225 0.000 0.766 334 E CB 3.284 33.112 29.700 0.213 0.000 1.142 334 E HN 0.241 nan 8.360 nan 0.000 0.408 335 V N 2.831 122.913 119.914 0.280 0.000 2.612 335 V HA 0.128 4.247 4.120 -0.001 0.000 0.301 335 V C -0.529 175.626 176.094 0.101 0.000 1.046 335 V CA -0.795 61.660 62.300 0.259 0.000 0.946 335 V CB 0.933 32.826 31.823 0.118 0.000 1.003 335 V HN 0.602 nan 8.190 nan 0.000 0.459 336 Y N 4.139 124.279 120.300 -0.267 0.000 2.544 336 Y HA 0.372 4.922 4.550 -0.001 0.000 0.330 336 Y C -0.218 175.505 175.900 -0.295 0.000 1.136 336 Y CA -0.688 57.033 58.100 -0.630 0.000 1.417 336 Y CB 0.861 38.932 38.460 -0.649 0.000 1.229 336 Y HN 0.493 nan 8.280 nan 0.000 0.532 337 L N 10.701 131.454 121.223 -0.783 0.000 2.335 337 L HA 0.464 4.803 4.340 -0.001 0.000 0.268 337 L C -2.160 174.244 176.870 -0.778 0.000 1.037 337 L CA -2.363 52.139 54.840 -0.563 0.000 0.895 337 L CB 1.302 43.166 42.059 -0.326 0.000 1.266 337 L HN 0.414 nan 8.230 nan 0.000 0.439 338 P HA -0.192 nan 4.420 nan 0.000 0.217 338 P C 1.429 178.570 177.300 -0.266 0.000 1.151 338 P CA 1.800 64.617 63.100 -0.472 0.000 0.849 338 P CB 0.248 31.914 31.700 -0.056 0.000 0.787 339 S N -1.206 114.373 115.700 -0.201 0.000 2.453 339 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 339 S C 1.707 176.236 174.600 -0.119 0.000 1.005 339 S CA 0.814 58.939 58.200 -0.125 0.000 0.949 339 S CB -0.808 62.339 63.200 -0.088 0.000 0.774 339 S HN 0.233 nan 8.310 nan 0.000 0.510 340 E N 0.679 120.778 120.200 -0.169 0.000 2.472 340 E HA 0.258 4.607 4.350 -0.001 0.000 0.196 340 E C 1.194 177.732 176.600 -0.103 0.000 1.033 340 E CA 0.144 56.474 56.400 -0.118 0.000 0.886 340 E CB -0.005 29.627 29.700 -0.114 0.000 0.944 340 E HN 0.669 nan 8.360 nan 0.000 0.492 341 G N 2.873 111.571 108.800 -0.169 0.000 2.187 341 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.261 341 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.261 341 G C 0.248 175.230 174.900 0.137 0.000 1.000 341 G CA 1.219 46.323 45.100 0.005 0.000 0.718 341 G HN 0.375 nan 8.290 nan 0.000 0.519 342 R N -2.111 118.379 120.500 -0.016 0.000 2.855 342 R HA 0.750 5.089 4.340 -0.001 0.000 0.266 342 R C -0.940 175.379 176.300 0.031 0.000 1.034 342 R CA -1.254 54.919 56.100 0.122 0.000 0.944 342 R CB 1.038 31.382 30.300 0.074 0.000 1.219 342 R HN 0.055 nan 8.270 nan 0.000 0.474 343 Y N 0.333 120.720 120.300 0.145 0.000 2.334 343 Y HA 0.483 5.032 4.550 -0.001 0.000 0.328 343 Y C 0.177 176.098 175.900 0.035 0.000 1.130 343 Y CA -0.503 57.672 58.100 0.126 0.000 1.163 343 Y CB 1.345 39.883 38.460 0.130 0.000 1.207 343 Y HN 0.224 nan 8.280 nan 0.000 0.471 344 R N 1.767 122.342 120.500 0.123 0.000 2.686 344 R HA 0.198 4.538 4.340 -0.001 0.000 0.286 344 R C -0.673 175.654 176.300 0.046 0.000 0.969 344 R CA -1.081 55.042 56.100 0.037 0.000 0.898 344 R CB 1.876 32.144 30.300 -0.054 0.000 1.183 344 R HN 0.778 nan 8.270 nan 0.000 0.456 345 E N 1.235 121.445 120.200 0.016 0.000 2.465 345 E HA -0.044 4.306 4.350 -0.001 0.000 0.260 345 E C 0.067 176.647 176.600 -0.033 0.000 0.980 345 E CA 0.570 56.976 56.400 0.010 0.000 0.927 345 E CB 0.707 30.398 29.700 -0.015 0.000 0.934 345 E HN 0.685 nan 8.360 nan 0.000 0.459 346 T N 0.761 115.318 114.554 0.004 0.000 2.954 346 T HA 0.139 4.489 4.350 -0.001 0.000 0.252 346 T C -0.081 174.452 174.700 -0.279 0.000 0.983 346 T CA -0.183 61.857 62.100 -0.099 0.000 0.941 346 T CB 0.122 68.992 68.868 0.003 0.000 1.141 346 T HN 0.483 nan 8.240 nan 0.000 0.500 347 H N 0.465 119.492 119.070 -0.072 0.000 2.894 347 H HA 0.775 5.330 4.556 -0.001 0.000 0.367 347 H C -1.351 173.942 175.328 -0.058 0.000 1.144 347 H CA -0.754 55.250 56.048 -0.074 0.000 1.180 347 H CB 2.144 31.840 29.762 -0.111 0.000 1.758 347 H HN 0.138 nan 8.280 nan 0.000 0.541 348 S N 1.814 117.547 115.700 0.055 0.000 2.779 348 S HA 0.338 4.807 4.470 -0.001 0.000 0.293 348 S C -0.934 173.674 174.600 0.013 0.000 1.150 348 S CA -0.469 57.749 58.200 0.031 0.000 1.057 348 S CB 0.399 63.611 63.200 0.020 0.000 1.021 348 S HN 0.762 nan 8.310 nan 0.000 0.485 349 C N 4.739 124.020 119.300 -0.031 0.000 2.325 349 C HA 0.798 5.258 4.460 -0.001 0.000 0.347 349 C C 0.245 175.255 174.990 0.034 0.000 1.263 349 C CA 0.015 58.959 59.018 -0.124 0.000 1.806 349 C CB -0.618 26.876 27.740 -0.410 0.000 2.405 349 C HN 0.869 nan 8.230 nan 0.000 0.537 350 S N 3.256 119.020 115.700 0.106 0.000 2.521 350 S HA 0.814 5.284 4.470 -0.001 0.000 0.295 350 S C -0.547 174.222 174.600 0.282 0.000 1.098 350 S CA -0.441 57.890 58.200 0.219 0.000 0.999 350 S CB 1.705 64.977 63.200 0.120 0.000 1.034 350 S HN 1.027 nan 8.310 nan 0.000 0.483 351 A N 2.353 125.355 122.820 0.303 0.000 2.303 351 A HA 0.730 5.049 4.320 -0.001 0.000 0.320 351 A C -0.225 177.427 177.584 0.114 0.000 1.192 351 A CA -0.478 51.684 52.037 0.209 0.000 0.821 351 A CB 0.165 19.253 19.000 0.147 0.000 1.188 351 A HN 0.767 nan 8.150 nan 0.000 0.492 352 L N 3.091 124.340 121.223 0.043 0.000 2.906 352 L HA 0.282 4.622 4.340 -0.001 0.000 0.255 352 L C 0.889 177.725 176.870 -0.057 0.000 1.166 352 L CA 0.194 55.053 54.840 0.033 0.000 0.977 352 L CB -0.640 41.486 42.059 0.112 0.000 1.313 352 L HN 0.919 nan 8.230 nan 0.000 0.549 353 L N 0.227 121.255 121.223 -0.325 0.000 5.704 353 L HA -0.403 3.937 4.340 -0.001 0.000 0.053 353 L C 0.949 177.606 176.870 -0.355 0.000 2.571 353 L CA 1.841 56.148 54.840 -0.890 0.000 1.641 353 L CB -0.931 40.540 42.059 -0.980 0.000 2.792 353 L HN 0.536 nan 8.230 nan 0.000 0.961 354 D N -1.959 118.366 120.400 -0.125 0.000 2.402 354 D HA -0.008 4.631 4.640 -0.001 0.000 0.216 354 D C 1.307 177.684 176.300 0.127 0.000 1.128 354 D CA 0.081 54.190 54.000 0.181 0.000 0.833 354 D CB -0.332 40.657 40.800 0.315 0.000 0.971 354 D HN 0.609 nan 8.370 nan 0.000 0.503 355 W N 1.466 122.744 121.300 -0.038 0.000 2.388 355 W HA -0.081 4.578 4.660 -0.001 0.000 0.294 355 W C 1.924 178.441 176.519 -0.003 0.000 1.212 355 W CA 1.525 58.859 57.345 -0.017 0.000 1.271 355 W CB 0.274 29.742 29.460 0.015 0.000 1.126 355 W HN -0.023 nan 8.180 nan 0.000 0.535 356 Q N -0.595 119.388 119.800 0.305 0.000 2.163 356 Q HA -0.010 4.329 4.340 -0.001 0.000 0.198 356 Q C 2.421 178.469 176.000 0.080 0.000 0.954 356 Q CA 1.137 57.048 55.803 0.180 0.000 0.851 356 Q CB -0.593 28.315 28.738 0.284 0.000 0.928 356 Q HN 0.281 nan 8.270 nan 0.000 0.459 357 A N 1.709 124.603 122.820 0.124 0.000 1.940 357 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 357 A C 1.992 179.564 177.584 -0.019 0.000 1.176 357 A CA 1.334 53.468 52.037 0.161 0.000 0.631 357 A CB -0.355 18.820 19.000 0.291 0.000 0.814 357 A HN 0.201 nan 8.150 nan 0.000 0.446 358 R N -1.083 119.220 120.500 -0.328 0.000 2.193 358 R HA 0.019 4.358 4.340 -0.001 0.000 0.213 358 R C 2.247 178.369 176.300 -0.297 0.000 1.055 358 R CA 1.115 56.842 56.100 -0.621 0.000 0.995 358 R CB -0.136 29.788 30.300 -0.628 0.000 0.893 358 R HN 0.493 nan 8.270 nan 0.000 0.459 359 R N -0.135 120.228 120.500 -0.229 0.000 2.112 359 R HA 0.117 4.457 4.340 -0.001 0.000 0.216 359 R C 1.794 178.062 176.300 -0.054 0.000 1.080 359 R CA 1.085 57.076 56.100 -0.180 0.000 0.996 359 R CB 0.154 30.302 30.300 -0.253 0.000 0.902 359 R HN 0.090 nan 8.270 nan 0.000 0.449 360 A N 0.541 123.365 122.820 0.007 0.000 2.303 360 A HA 0.048 4.368 4.320 -0.001 0.000 0.217 360 A C 0.219 177.866 177.584 0.106 0.000 1.205 360 A CA -0.213 51.858 52.037 0.057 0.000 0.875 360 A CB -0.199 18.851 19.000 0.082 0.000 0.910 360 A HN 0.528 nan 8.150 nan 0.000 0.501 361 N N -0.241 118.549 118.700 0.151 0.000 2.663 361 N HA -0.127 4.613 4.740 -0.001 0.000 0.263 361 N C -1.247 174.417 175.510 0.257 0.000 1.109 361 N CA 0.138 53.349 53.050 0.267 0.000 0.701 361 N CB -0.949 37.648 38.487 0.185 0.000 0.879 361 N HN 0.404 nan 8.380 nan 0.000 0.550 362 L N 2.437 123.855 121.223 0.324 0.000 2.298 362 L HA 0.576 4.916 4.340 -0.001 0.000 0.284 362 L C 0.524 177.570 176.870 0.293 0.000 1.013 362 L CA -0.493 54.514 54.840 0.278 0.000 0.824 362 L CB 1.636 43.863 42.059 0.280 0.000 1.221 362 L HN 0.207 nan 8.230 nan 0.000 0.418 363 R N 2.272 122.876 120.500 0.173 0.000 2.836 363 R HA 0.690 5.029 4.340 -0.001 0.000 0.269 363 R C -1.632 174.771 176.300 0.172 0.000 1.010 363 R CA -0.922 55.228 56.100 0.083 0.000 0.930 363 R CB 2.713 32.920 30.300 -0.155 0.000 1.218 363 R HN 0.516 nan 8.270 nan 0.000 0.473 364 Y N -1.748 118.523 120.300 -0.049 0.000 2.615 364 Y HA 0.554 5.104 4.550 -0.001 0.000 0.341 364 Y C -1.243 174.644 175.900 -0.022 0.000 1.089 364 Y CA -1.440 56.645 58.100 -0.025 0.000 1.049 364 Y CB 1.381 39.836 38.460 -0.009 0.000 1.296 364 Y HN 0.475 nan 8.280 nan 0.000 0.470 365 R N 2.937 123.458 120.500 0.036 0.000 2.215 365 R HA 0.248 4.587 4.340 -0.001 0.000 0.336 365 R C -0.729 175.600 176.300 0.048 0.000 0.996 365 R CA -0.571 55.481 56.100 -0.081 0.000 0.847 365 R CB 0.382 30.674 30.300 -0.013 0.000 1.127 365 R HN 0.925 nan 8.270 nan 0.000 0.465 366 D N 4.920 125.201 120.400 -0.199 0.000 2.384 366 D HA 0.075 4.714 4.640 -0.001 0.000 0.244 366 D C -1.729 174.410 176.300 -0.268 0.000 1.251 366 D CA -1.895 52.049 54.000 -0.093 0.000 0.961 366 D CB 0.477 41.152 40.800 -0.209 0.000 1.116 366 D HN 0.272 nan 8.370 nan 0.000 0.484 367 P HA -0.023 nan 4.420 nan 0.000 0.226 367 P C 0.493 177.654 177.300 -0.232 0.000 1.153 367 P CA 0.995 63.810 63.100 -0.476 0.000 0.777 367 P CB 0.203 31.538 31.700 -0.608 0.000 0.794 368 E N -1.531 118.555 120.200 -0.189 0.000 2.479 368 E HA 0.248 4.597 4.350 -0.001 0.000 0.193 368 E C 1.417 177.951 176.600 -0.109 0.000 1.049 368 E CA 0.513 56.837 56.400 -0.127 0.000 0.870 368 E CB -0.649 28.985 29.700 -0.111 0.000 0.944 368 E HN 0.125 nan 8.360 nan 0.000 0.492 369 G N 1.033 109.762 108.800 -0.119 0.000 2.175 369 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.244 369 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.244 369 G C 0.131 174.959 174.900 -0.120 0.000 0.982 369 G CA -0.013 45.028 45.100 -0.099 0.000 0.641 369 G HN 0.221 nan 8.290 nan 0.000 0.527 370 R N 0.114 120.524 120.500 -0.151 0.000 2.340 370 R HA 0.489 4.828 4.340 -0.001 0.000 0.300 370 R C 0.144 176.283 176.300 -0.269 0.000 1.069 370 R CA -0.540 55.454 56.100 -0.177 0.000 0.984 370 R CB 1.770 31.970 30.300 -0.166 0.000 1.003 370 R HN 0.056 nan 8.270 nan 0.000 0.459 371 V N 5.282 125.043 119.914 -0.255 0.000 2.405 371 V HA 0.138 4.258 4.120 -0.001 0.000 0.264 371 V C 0.614 176.459 176.094 -0.415 0.000 1.048 371 V CA 0.199 62.302 62.300 -0.328 0.000 0.966 371 V CB 0.135 31.819 31.823 -0.232 0.000 1.015 371 V HN 0.627 nan 8.190 nan 0.000 0.477 372 R N 3.184 123.301 120.500 -0.639 0.000 2.778 372 R HA 0.483 4.823 4.340 -0.001 0.000 0.277 372 R C -1.226 174.868 176.300 -0.342 0.000 0.977 372 R CA -0.929 54.873 56.100 -0.497 0.000 0.950 372 R CB 1.859 31.860 30.300 -0.499 0.000 1.165 372 R HN 0.508 nan 8.270 nan 0.000 0.474 373 Y N 0.762 121.073 120.300 0.017 0.000 2.442 373 Y HA 0.131 4.680 4.550 -0.001 0.000 0.330 373 Y C 0.989 177.055 175.900 0.278 0.000 1.129 373 Y CA 0.234 58.423 58.100 0.148 0.000 1.365 373 Y CB 0.640 39.187 38.460 0.146 0.000 1.233 373 Y HN 0.626 nan 8.280 nan 0.000 0.529 374 A N 3.407 126.528 122.820 0.501 0.000 2.296 374 A HA 0.426 4.746 4.320 -0.001 0.000 0.264 374 A C -1.196 176.614 177.584 0.377 0.000 1.097 374 A CA -0.361 51.869 52.037 0.322 0.000 0.811 374 A CB 0.221 19.329 19.000 0.180 0.000 1.072 374 A HN 0.601 nan 8.150 nan 0.000 0.495 375 Y N -0.145 120.176 120.300 0.036 0.000 2.387 375 Y HA 0.551 5.100 4.550 -0.001 0.000 0.336 375 Y C 0.976 176.856 175.900 -0.035 0.000 1.067 375 Y CA -0.862 57.242 58.100 0.007 0.000 1.114 375 Y CB 1.710 40.142 38.460 -0.046 0.000 1.208 375 Y HN 0.795 nan 8.280 nan 0.000 0.458 376 T N 1.215 115.839 114.554 0.118 0.000 2.908 376 T HA 0.901 5.251 4.350 -0.001 0.000 0.290 376 T C -0.952 173.725 174.700 -0.039 0.000 1.034 376 T CA -0.729 61.352 62.100 -0.030 0.000 1.010 376 T CB 1.914 70.809 68.868 0.044 0.000 1.068 376 T HN 0.331 nan 8.240 nan 0.000 0.481 377 L N 1.754 122.893 121.223 -0.141 0.000 2.409 377 L HA 0.786 5.126 4.340 -0.001 0.000 0.255 377 L C -0.915 175.905 176.870 -0.084 0.000 1.027 377 L CA -0.826 53.994 54.840 -0.032 0.000 0.834 377 L CB 2.470 44.543 42.059 0.024 0.000 1.426 377 L HN 1.128 nan 8.230 nan 0.000 0.411 378 N N -0.370 118.346 118.700 0.027 0.000 2.859 378 N HA 0.534 5.274 4.740 -0.001 0.000 0.250 378 N C -1.712 173.824 175.510 0.043 0.000 1.341 378 N CA -0.898 52.199 53.050 0.078 0.000 0.881 378 N CB 1.697 40.299 38.487 0.192 0.000 1.516 378 N HN 0.661 nan 8.380 nan 0.000 0.503 379 N N -0.982 117.745 118.700 0.045 0.000 2.504 379 N HA 0.348 5.088 4.740 -0.001 0.000 0.268 379 N C -1.442 174.093 175.510 0.042 0.000 1.184 379 N CA -0.558 52.496 53.050 0.006 0.000 0.875 379 N CB 1.682 40.127 38.487 -0.070 0.000 1.630 379 N HN 0.649 nan 8.380 nan 0.000 0.486 380 T N 1.447 116.033 114.554 0.052 0.000 2.928 380 T HA 0.189 4.539 4.350 -0.001 0.000 0.305 380 T C 1.219 175.975 174.700 0.093 0.000 1.035 380 T CA 0.025 62.140 62.100 0.026 0.000 1.145 380 T CB 1.300 70.090 68.868 -0.130 0.000 0.963 380 T HN 0.615 nan 8.240 nan 0.000 0.545 381 A N 2.764 125.604 122.820 0.034 0.000 1.887 381 A HA 0.529 4.849 4.320 -0.001 0.000 0.212 381 A C 0.480 178.102 177.584 0.063 0.000 1.198 381 A CA 0.485 52.545 52.037 0.038 0.000 0.628 381 A CB 0.064 19.050 19.000 -0.023 0.000 0.847 381 A HN 0.614 nan 8.150 nan 0.000 0.449 382 L N -1.942 119.252 121.223 -0.048 0.000 2.787 382 L HA 0.599 4.938 4.340 -0.001 0.000 0.260 382 L C -1.199 175.629 176.870 -0.069 0.000 0.921 382 L CA 0.168 54.953 54.840 -0.092 0.000 0.984 382 L CB 1.474 43.519 42.059 -0.022 0.000 1.519 382 L HN 0.301 nan 8.230 nan 0.000 0.452 383 A N 2.260 125.011 122.820 -0.115 0.000 2.331 383 A HA 0.862 5.181 4.320 -0.001 0.000 0.320 383 A C -0.255 177.325 177.584 -0.007 0.000 1.138 383 A CA 0.044 52.095 52.037 0.024 0.000 0.790 383 A CB 1.206 20.208 19.000 0.003 0.000 1.206 383 A HN 0.713 nan 8.150 nan 0.000 0.470 384 T N 0.118 114.733 114.554 0.103 0.000 2.925 384 T HA 0.707 5.057 4.350 -0.001 0.000 0.285 384 T C -2.183 172.549 174.700 0.055 0.000 1.021 384 T CA -1.712 60.403 62.100 0.025 0.000 1.042 384 T CB 2.021 70.928 68.868 0.064 0.000 1.037 384 T HN 0.359 nan 8.240 nan 0.000 0.481 385 P HA 0.169 nan 4.420 nan 0.000 0.257 385 P C 1.244 178.345 177.300 -0.333 0.000 1.241 385 P CA -0.166 62.727 63.100 -0.346 0.000 0.816 385 P CB 0.307 31.525 31.700 -0.804 0.000 1.150 386 R N 0.402 120.694 120.500 -0.346 0.000 2.139 386 R HA -0.150 4.190 4.340 -0.001 0.000 0.243 386 R C 2.017 178.145 176.300 -0.286 0.000 1.145 386 R CA 1.233 57.132 56.100 -0.335 0.000 0.976 386 R CB -0.801 29.294 30.300 -0.341 0.000 0.866 386 R HN 0.072 nan 8.270 nan 0.000 0.449 387 I N 0.634 121.061 120.570 -0.238 0.000 2.676 387 I HA -0.152 4.018 4.170 -0.001 0.000 0.259 387 I C 1.659 177.654 176.117 -0.204 0.000 1.194 387 I CA 1.055 62.235 61.300 -0.200 0.000 1.473 387 I CB 0.064 37.963 38.000 -0.169 0.000 1.096 387 I HN 0.221 nan 8.210 nan 0.000 0.443 388 L N -0.103 120.990 121.223 -0.217 0.000 2.141 388 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 388 L C 2.631 179.397 176.870 -0.173 0.000 1.094 388 L CA 1.088 55.827 54.840 -0.169 0.000 0.763 388 L CB -0.848 41.126 42.059 -0.141 0.000 0.908 388 L HN 0.305 nan 8.230 nan 0.000 0.437 389 A N 0.584 123.210 122.820 -0.323 0.000 1.858 389 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 389 A C 2.280 179.692 177.584 -0.285 0.000 1.190 389 A CA 1.870 53.595 52.037 -0.520 0.000 0.617 389 A CB -0.340 18.108 19.000 -0.920 0.000 0.827 389 A HN 0.359 nan 8.150 nan 0.000 0.443 390 M N -0.569 118.886 119.600 -0.243 0.000 2.254 390 M HA 0.072 4.551 4.480 -0.001 0.000 0.265 390 M C 2.051 178.245 176.300 -0.178 0.000 1.066 390 M CA 1.108 56.296 55.300 -0.186 0.000 1.123 390 M CB -1.533 30.976 32.600 -0.151 0.000 1.388 390 M HN 0.329 nan 8.290 nan 0.000 0.425 391 L N 0.395 121.522 121.223 -0.160 0.000 2.027 391 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 391 L C 2.602 179.431 176.870 -0.067 0.000 1.074 391 L CA 0.973 55.718 54.840 -0.158 0.000 0.745 391 L CB -0.529 41.532 42.059 0.004 0.000 0.898 391 L HN 0.249 nan 8.230 nan 0.000 0.433 392 L N -0.606 120.631 121.223 0.023 0.000 1.994 392 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 392 L C 2.583 179.507 176.870 0.090 0.000 1.071 392 L CA 1.481 56.383 54.840 0.103 0.000 0.745 392 L CB -0.613 41.526 42.059 0.134 0.000 0.892 392 L HN 0.295 nan 8.230 nan 0.000 0.431 393 E N -0.015 120.205 120.200 0.034 0.000 2.077 393 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 393 E C 1.900 178.573 176.600 0.121 0.000 0.989 393 E CA 1.049 57.466 56.400 0.029 0.000 0.800 393 E CB -0.177 29.507 29.700 -0.028 0.000 0.746 393 E HN 0.506 nan 8.360 nan 0.000 0.452 394 N N 0.185 118.899 118.700 0.023 0.000 2.331 394 N HA -0.077 4.662 4.740 -0.001 0.000 0.180 394 N C 0.854 176.473 175.510 0.180 0.000 1.019 394 N CA 0.854 53.938 53.050 0.057 0.000 0.881 394 N CB 0.064 38.433 38.487 -0.196 0.000 0.972 394 N HN 0.373 nan 8.380 nan 0.000 0.435 395 H N 0.041 119.235 119.070 0.205 0.000 2.592 395 H HA 0.111 4.667 4.556 -0.001 0.000 0.279 395 H C 0.166 175.628 175.328 0.223 0.000 1.089 395 H CA -0.511 55.648 56.048 0.185 0.000 1.150 395 H CB 0.574 30.403 29.762 0.112 0.000 1.575 395 H HN 0.289 nan 8.280 nan 0.000 0.547 396 Q N 1.345 121.364 119.800 0.364 0.000 2.392 396 Q HA 0.223 4.562 4.340 -0.001 0.000 0.262 396 Q C -0.590 175.643 176.000 0.389 0.000 1.003 396 Q CA 0.161 56.142 55.803 0.296 0.000 0.888 396 Q CB 1.422 30.280 28.738 0.200 0.000 1.260 396 Q HN 0.320 nan 8.270 nan 0.000 0.435 397 L N 1.372 122.709 121.223 0.189 0.000 2.331 397 L HA 0.174 4.514 4.340 -0.001 0.000 0.268 397 L C 1.453 178.089 176.870 -0.390 0.000 1.015 397 L CA -0.821 54.067 54.840 0.080 0.000 0.807 397 L CB 0.995 43.071 42.059 0.029 0.000 1.293 397 L HN 0.812 nan 8.230 nan 0.000 0.451 398 Q N 0.816 120.207 119.800 -0.683 0.000 2.133 398 Q HA -0.257 4.082 4.340 -0.001 0.000 0.208 398 Q C 1.060 176.686 176.000 -0.623 0.000 0.991 398 Q CA 2.563 57.701 55.803 -1.108 0.000 0.867 398 Q CB 0.013 28.467 28.738 -0.474 0.000 0.911 398 Q HN 0.795 nan 8.270 nan 0.000 0.417 399 D N -2.350 117.848 120.400 -0.336 0.000 2.363 399 D HA 0.076 4.716 4.640 -0.001 0.000 0.226 399 D C 0.992 177.171 176.300 -0.201 0.000 1.020 399 D CA 0.753 54.622 54.000 -0.219 0.000 0.892 399 D CB -0.115 40.602 40.800 -0.137 0.000 0.900 399 D HN 0.407 nan 8.370 nan 0.000 0.531 400 G N -0.334 108.333 108.800 -0.223 0.000 2.176 400 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.253 400 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.253 400 G C 0.439 175.274 174.900 -0.108 0.000 0.979 400 G CA 0.024 45.023 45.100 -0.168 0.000 0.641 400 G HN 0.446 nan 8.290 nan 0.000 0.530 401 R N -0.986 119.488 120.500 -0.043 0.000 2.549 401 R HA 0.729 5.068 4.340 -0.001 0.000 0.259 401 R C -0.369 176.031 176.300 0.166 0.000 1.095 401 R CA -0.453 55.702 56.100 0.091 0.000 1.148 401 R CB 1.454 31.794 30.300 0.067 0.000 1.181 401 R HN 0.126 nan 8.270 nan 0.000 0.571 402 V N 1.569 121.614 119.914 0.219 0.000 2.686 402 V HA 0.324 4.444 4.120 -0.001 0.000 0.306 402 V C -0.417 175.711 176.094 0.058 0.000 1.065 402 V CA -1.020 61.381 62.300 0.169 0.000 0.894 402 V CB 1.811 33.739 31.823 0.176 0.000 1.004 402 V HN 0.773 nan 8.190 nan 0.000 0.424 403 R N 3.043 123.581 120.500 0.064 0.000 2.531 403 R HA 0.735 5.074 4.340 -0.001 0.000 0.273 403 R C -1.001 175.233 176.300 -0.111 0.000 1.070 403 R CA -0.594 55.485 56.100 -0.034 0.000 1.112 403 R CB 1.010 31.287 30.300 -0.040 0.000 1.049 403 R HN 0.344 nan 8.270 nan 0.000 0.508 404 V N 3.347 123.167 119.914 -0.158 0.000 2.407 404 V HA 0.256 4.375 4.120 -0.001 0.000 0.278 404 V C -1.957 174.044 176.094 -0.155 0.000 1.037 404 V CA -2.346 59.853 62.300 -0.168 0.000 0.900 404 V CB 1.256 32.968 31.823 -0.186 0.000 0.983 404 V HN 0.784 nan 8.190 nan 0.000 0.459 405 P HA -0.024 nan 4.420 nan 0.000 0.264 405 P C 0.688 177.932 177.300 -0.093 0.000 1.179 405 P CA 0.096 63.093 63.100 -0.171 0.000 0.763 405 P CB 0.458 32.086 31.700 -0.119 0.000 0.806 406 Q N 2.658 122.420 119.800 -0.063 0.000 2.096 406 Q HA -0.243 4.097 4.340 -0.001 0.000 0.208 406 Q C 2.161 178.166 176.000 0.008 0.000 0.993 406 Q CA 2.511 58.302 55.803 -0.020 0.000 0.862 406 Q CB -1.401 27.338 28.738 0.002 0.000 0.915 406 Q HN 0.619 nan 8.270 nan 0.000 0.416 407 A N -0.005 122.815 122.820 0.000 0.000 1.986 407 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 407 A C 2.038 179.645 177.584 0.039 0.000 1.171 407 A CA 1.430 53.490 52.037 0.039 0.000 0.640 407 A CB -0.445 18.548 19.000 -0.012 0.000 0.811 407 A HN 0.322 nan 8.150 nan 0.000 0.451 408 L N -1.012 120.175 121.223 -0.060 0.000 2.585 408 L HA 0.235 4.575 4.340 -0.001 0.000 0.226 408 L C 1.933 178.894 176.870 0.151 0.000 1.113 408 L CA 0.162 55.014 54.840 0.021 0.000 0.876 408 L CB -0.011 41.978 42.059 -0.116 0.000 1.072 408 L HN 0.334 nan 8.230 nan 0.000 0.468 409 I N 0.621 121.234 120.570 0.072 0.000 2.208 409 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 409 I C -0.432 175.715 176.117 0.050 0.000 1.097 409 I CA 1.427 62.751 61.300 0.040 0.000 1.363 409 I CB -1.221 36.783 38.000 0.006 0.000 1.051 409 I HN 0.238 nan 8.210 nan 0.000 0.413 410 P HA -0.172 nan 4.420 nan 0.000 0.218 410 P C 1.152 178.349 177.300 -0.170 0.000 1.148 410 P CA 1.541 64.588 63.100 -0.089 0.000 0.822 410 P CB -0.090 31.520 31.700 -0.151 0.000 0.784 411 Y N -2.492 117.828 120.300 0.034 0.000 2.420 411 Y HA 0.061 4.610 4.550 -0.001 0.000 0.292 411 Y C 2.379 178.300 175.900 0.035 0.000 1.119 411 Y CA 0.736 58.863 58.100 0.045 0.000 1.229 411 Y CB -0.440 38.056 38.460 0.061 0.000 1.026 411 Y HN -0.108 nan 8.280 nan 0.000 0.554 412 M N -1.701 117.996 119.600 0.161 0.000 2.486 412 M HA 0.219 4.699 4.480 -0.001 0.000 0.264 412 M C 1.864 178.180 176.300 0.026 0.000 1.125 412 M CA 1.243 56.593 55.300 0.084 0.000 1.144 412 M CB -0.559 32.062 32.600 0.035 0.000 1.353 412 M HN 0.435 nan 8.290 nan 0.000 0.466 413 G N 1.985 110.792 108.800 0.010 0.000 2.225 413 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.254 413 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.254 413 G C 0.266 175.159 174.900 -0.012 0.000 0.988 413 G CA 0.847 45.944 45.100 -0.005 0.000 0.625 413 G HN 0.494 nan 8.290 nan 0.000 0.527 414 K N -0.677 119.710 120.400 -0.021 0.000 2.555 414 K HA 0.605 4.925 4.320 -0.001 0.000 0.279 414 K C 0.155 176.727 176.600 -0.047 0.000 0.986 414 K CA -0.666 55.602 56.287 -0.031 0.000 0.880 414 K CB 1.085 33.566 32.500 -0.032 0.000 1.474 414 K HN 0.017 nan 8.250 nan 0.000 0.433 415 E N 0.217 120.392 120.200 -0.042 0.000 2.371 415 E HA 0.066 4.416 4.350 -0.001 0.000 0.194 415 E C -0.135 176.423 176.600 -0.070 0.000 1.012 415 E CA 0.356 56.725 56.400 -0.052 0.000 0.860 415 E CB 0.566 30.245 29.700 -0.035 0.000 0.811 415 E HN 0.275 nan 8.360 nan 0.000 0.502 416 V N 1.570 121.445 119.914 -0.065 0.000 2.888 416 V HA 0.164 4.283 4.120 -0.001 0.000 0.309 416 V C -0.983 175.078 176.094 -0.056 0.000 1.114 416 V CA -0.933 61.337 62.300 -0.050 0.000 0.940 416 V CB 2.299 34.120 31.823 -0.004 0.000 1.021 416 V HN 0.011 nan 8.190 nan 0.000 0.426 417 L N 4.179 125.366 121.223 -0.060 0.000 2.281 417 L HA 0.461 4.801 4.340 -0.001 0.000 0.285 417 L C 0.506 177.544 176.870 0.280 0.000 1.074 417 L CA 0.063 54.881 54.840 -0.035 0.000 0.817 417 L CB 0.583 42.432 42.059 -0.350 0.000 1.168 417 L HN 0.581 nan 8.230 nan 0.000 0.434 418 E N 5.674 126.021 120.200 0.245 0.000 2.343 418 E HA 0.317 4.667 4.350 -0.001 0.000 0.269 418 E C -2.210 174.632 176.600 0.404 0.000 1.047 418 E CA -1.851 54.694 56.400 0.243 0.000 0.874 418 E CB 0.482 30.259 29.700 0.130 0.000 1.033 418 E HN 0.323 nan 8.360 nan 0.000 0.409 419 P HA 0.107 nan 4.420 nan 0.000 0.274 419 P C 0.298 177.635 177.300 0.061 0.000 1.231 419 P CA -0.225 62.834 63.100 -0.069 0.000 0.790 419 P CB 1.127 32.686 31.700 -0.236 0.000 0.951 420 C N 1.096 120.416 119.300 0.033 0.000 2.564 420 C HA 0.466 4.926 4.460 -0.001 0.000 0.281 420 C C 1.306 176.296 174.990 -0.001 0.000 1.314 420 C CA 1.727 60.792 59.018 0.077 0.000 1.706 420 C CB -0.960 26.870 27.740 0.150 0.000 2.109 420 C HN 0.883 nan 8.230 nan 0.000 0.502 421 G N 0.000 108.763 108.800 -0.062 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 421 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925