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 3d9g_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLRRR QMQRVMALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.045 176.094 -0.082 0.000 1.182 2 V CA 0.000 62.248 62.300 -0.087 0.000 1.235 2 V CB 0.000 31.790 31.823 -0.055 0.000 1.184 3 D N 4.434 124.707 120.400 -0.211 0.000 2.934 3 D HA 0.587 5.228 4.640 0.001 0.000 0.230 3 D C -0.514 175.616 176.300 -0.283 0.000 1.204 3 D CA -0.313 53.619 54.000 -0.114 0.000 0.873 3 D CB 2.009 42.773 40.800 -0.062 0.000 1.645 3 D HN 0.432 nan 8.370 nan 0.000 0.502 4 F N 0.926 120.918 119.950 0.070 0.000 2.706 4 F HA 0.303 4.831 4.527 0.001 0.000 0.313 4 F C 1.022 176.895 175.800 0.121 0.000 1.096 4 F CA -0.329 57.745 58.000 0.123 0.000 1.219 4 F CB 0.623 39.695 39.000 0.120 0.000 1.051 4 F HN -0.067 nan 8.300 nan 0.000 0.568 5 K N 2.011 122.526 120.400 0.192 0.000 2.249 5 K HA 0.399 4.719 4.320 0.001 0.000 0.280 5 K C -0.281 176.360 176.600 0.069 0.000 1.033 5 K CA -0.240 56.128 56.287 0.134 0.000 0.946 5 K CB 1.219 33.775 32.500 0.093 0.000 1.005 5 K HN 0.070 nan 8.250 nan 0.000 0.469 6 L N 2.168 123.428 121.223 0.062 0.000 2.350 6 L HA 0.170 4.511 4.340 0.001 0.000 0.275 6 L C 0.838 177.698 176.870 -0.017 0.000 1.099 6 L CA -0.474 54.360 54.840 -0.011 0.000 0.808 6 L CB 1.379 43.440 42.059 0.003 0.000 1.149 6 L HN 0.754 nan 8.230 nan 0.000 0.442 7 S N 1.660 117.328 115.700 -0.054 0.000 2.645 7 S HA 0.338 4.809 4.470 0.001 0.000 0.266 7 S C -1.963 172.632 174.600 -0.008 0.000 1.258 7 S CA -1.193 56.994 58.200 -0.021 0.000 0.990 7 S CB 1.145 64.336 63.200 -0.014 0.000 0.967 7 S HN 0.398 nan 8.310 nan 0.000 0.556 8 P HA -0.138 nan 4.420 nan 0.000 0.216 8 P C 1.834 179.156 177.300 0.035 0.000 1.150 8 P CA 1.826 64.940 63.100 0.025 0.000 0.843 8 P CB -0.218 31.498 31.700 0.027 0.000 0.787 9 S N -1.072 114.662 115.700 0.057 0.000 2.383 9 S HA -0.201 4.270 4.470 0.001 0.000 0.227 9 S C 2.071 176.735 174.600 0.107 0.000 1.026 9 S CA 0.938 59.211 58.200 0.121 0.000 0.981 9 S CB -1.216 62.103 63.200 0.198 0.000 0.818 9 S HN 0.159 nan 8.310 nan 0.000 0.472 10 Q N 0.883 120.631 119.800 -0.088 0.000 2.084 10 Q HA 0.090 4.431 4.340 0.001 0.000 0.202 10 Q C 2.285 178.222 176.000 -0.104 0.000 0.978 10 Q CA 1.637 57.239 55.803 -0.335 0.000 0.844 10 Q CB -0.463 27.996 28.738 -0.466 0.000 0.898 10 Q HN 0.547 nan 8.270 nan 0.000 0.426 11 L N 0.307 121.510 121.223 -0.032 0.000 2.083 11 L HA -0.199 4.142 4.340 0.001 0.000 0.209 11 L C 2.404 179.308 176.870 0.056 0.000 1.083 11 L CA 1.019 55.873 54.840 0.025 0.000 0.752 11 L CB -0.253 41.826 42.059 0.034 0.000 0.899 11 L HN 0.223 nan 8.230 nan 0.000 0.433 12 E N 0.663 120.900 120.200 0.062 0.000 2.106 12 E HA -0.175 4.175 4.350 0.001 0.000 0.192 12 E C 2.129 178.805 176.600 0.127 0.000 0.984 12 E CA 1.406 57.859 56.400 0.088 0.000 0.806 12 E CB -0.097 29.645 29.700 0.070 0.000 0.750 12 E HN 0.333 nan 8.360 nan 0.000 0.458 13 A N 1.088 123.981 122.820 0.121 0.000 1.908 13 A HA -0.217 4.104 4.320 0.001 0.000 0.218 13 A C 2.327 180.017 177.584 0.176 0.000 1.181 13 A CA 1.841 53.974 52.037 0.159 0.000 0.627 13 A CB -0.661 18.444 19.000 0.175 0.000 0.818 13 A HN 0.293 nan 8.150 nan 0.000 0.445 14 R N -0.621 119.954 120.500 0.126 0.000 2.070 14 R HA -0.153 4.188 4.340 0.001 0.000 0.233 14 R C 2.516 178.900 176.300 0.140 0.000 1.137 14 R CA 1.604 57.783 56.100 0.131 0.000 0.945 14 R CB -0.371 29.996 30.300 0.111 0.000 0.845 14 R HN 0.524 nan 8.270 nan 0.000 0.430 15 R N -0.455 120.125 120.500 0.132 0.000 2.096 15 R HA -0.252 4.089 4.340 0.001 0.000 0.240 15 R C 2.280 178.675 176.300 0.157 0.000 1.139 15 R CA 2.378 58.554 56.100 0.128 0.000 0.952 15 R CB -0.612 29.757 30.300 0.115 0.000 0.854 15 R HN 0.458 nan 8.270 nan 0.000 0.436 16 H N -0.102 119.030 119.070 0.104 0.000 2.321 16 H HA -0.040 4.517 4.556 0.001 0.000 0.300 16 H C 1.802 177.221 175.328 0.153 0.000 1.087 16 H CA 2.309 58.433 56.048 0.126 0.000 1.319 16 H CB -0.212 29.615 29.762 0.108 0.000 1.379 16 H HN 0.376 nan 8.280 nan 0.000 0.501 17 A N 0.475 123.385 122.820 0.149 0.000 1.902 17 A HA -0.219 4.101 4.320 0.001 0.000 0.217 17 A C 2.313 179.962 177.584 0.108 0.000 1.181 17 A CA 1.749 53.860 52.037 0.123 0.000 0.623 17 A CB -0.602 18.506 19.000 0.180 0.000 0.818 17 A HN 0.670 nan 8.150 nan 0.000 0.443 18 Q N -0.659 119.198 119.800 0.096 0.000 2.061 18 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 18 Q C 2.491 178.512 176.000 0.034 0.000 0.984 18 Q CA 1.497 57.341 55.803 0.069 0.000 0.846 18 Q CB -0.419 28.363 28.738 0.072 0.000 0.902 18 Q HN 0.684 nan 8.270 nan 0.000 0.421 19 A N 0.689 123.528 122.820 0.032 0.000 1.883 19 A HA -0.214 4.107 4.320 0.001 0.000 0.217 19 A C 1.890 179.462 177.584 -0.020 0.000 1.186 19 A CA 1.373 53.421 52.037 0.018 0.000 0.624 19 A CB -0.863 18.167 19.000 0.049 0.000 0.822 19 A HN 0.460 nan 8.150 nan 0.000 0.444 20 F N 1.007 120.827 119.950 -0.216 0.000 2.134 20 F HA -0.064 4.464 4.527 0.002 0.000 0.299 20 F C 2.499 178.193 175.800 -0.176 0.000 1.097 20 F CA 1.218 59.028 58.000 -0.317 0.000 1.264 20 F CB -0.490 38.222 39.000 -0.480 0.000 1.001 20 F HN 0.246 nan 8.300 nan 0.000 0.479 21 A N 0.401 123.137 122.820 -0.141 0.000 1.902 21 A HA -0.237 4.084 4.320 0.001 0.000 0.217 21 A C 2.001 179.465 177.584 -0.200 0.000 1.181 21 A CA 2.140 54.067 52.037 -0.183 0.000 0.623 21 A CB -1.202 17.786 19.000 -0.019 0.000 0.818 21 A HN 0.637 nan 8.150 nan 0.000 0.443 22 N N -0.767 117.857 118.700 -0.126 0.000 2.135 22 N HA -0.117 4.624 4.740 0.001 0.000 0.186 22 N C 1.922 177.363 175.510 -0.115 0.000 1.027 22 N CA 1.802 54.794 53.050 -0.096 0.000 0.849 22 N CB -0.235 38.225 38.487 -0.045 0.000 1.002 22 N HN 0.685 nan 8.380 nan 0.000 0.425 23 T N -1.848 112.626 114.554 -0.133 0.000 2.937 23 T HA 0.077 4.428 4.350 0.001 0.000 0.260 23 T C 1.916 176.530 174.700 -0.144 0.000 1.051 23 T CA 0.589 62.628 62.100 -0.101 0.000 1.141 23 T CB -0.358 68.485 68.868 -0.042 0.000 0.879 23 T HN -0.093 nan 8.240 nan 0.000 0.459 24 V N 0.708 120.430 119.914 -0.321 0.000 2.484 24 V HA 0.196 4.317 4.120 0.001 0.000 0.236 24 V C 2.512 178.455 176.094 -0.253 0.000 1.062 24 V CA 0.361 62.464 62.300 -0.328 0.000 1.081 24 V CB -0.573 30.814 31.823 -0.727 0.000 0.751 24 V HN 0.238 nan 8.190 nan 0.000 0.484 25 L N 1.376 122.314 121.223 -0.475 0.000 2.131 25 L HA -0.146 4.195 4.340 0.001 0.000 0.210 25 L C 2.817 179.527 176.870 -0.267 0.000 1.092 25 L CA 2.653 57.285 54.840 -0.346 0.000 0.759 25 L CB -1.521 40.355 42.059 -0.305 0.000 0.903 25 L HN 0.673 nan 8.230 nan 0.000 0.435 26 T N -3.794 110.638 114.554 -0.204 0.000 2.946 26 T HA -0.229 4.122 4.350 0.001 0.000 0.271 26 T C 1.731 176.332 174.700 -0.164 0.000 1.104 26 T CA 1.248 63.254 62.100 -0.157 0.000 1.114 26 T CB -0.286 68.513 68.868 -0.114 0.000 0.867 26 T HN 0.308 nan 8.240 nan 0.000 0.513 27 K N 0.604 120.914 120.400 -0.150 0.000 2.379 27 K HA 0.480 4.801 4.320 0.001 0.000 0.194 27 K C 2.584 179.026 176.600 -0.264 0.000 1.031 27 K CA 0.438 56.674 56.287 -0.085 0.000 1.037 27 K CB -0.046 32.531 32.500 0.128 0.000 0.824 27 K HN 0.397 nan 8.250 nan 0.000 0.516 28 A N 1.066 123.478 122.820 -0.680 0.000 1.902 28 A HA -0.197 4.123 4.320 0.001 0.000 0.217 28 A C 2.207 179.375 177.584 -0.693 0.000 1.181 28 A CA 1.985 53.394 52.037 -1.046 0.000 0.623 28 A CB -0.714 17.738 19.000 -0.912 0.000 0.818 28 A HN 0.246 nan 8.150 nan 0.000 0.443 29 S N -0.287 114.978 115.700 -0.725 0.000 2.374 29 S HA -0.136 4.334 4.470 0.001 0.000 0.227 29 S C 2.138 176.302 174.600 -0.728 0.000 1.037 29 S CA 1.696 59.238 58.200 -1.095 0.000 1.024 29 S CB -0.494 62.380 63.200 -0.545 0.000 0.861 29 S HN 0.874 nan 8.310 nan 0.000 0.456 30 A N 1.030 123.617 122.820 -0.389 0.000 1.978 30 A HA -0.090 4.230 4.320 0.001 0.000 0.220 30 A C 2.103 179.590 177.584 -0.161 0.000 1.170 30 A CA 1.611 53.519 52.037 -0.215 0.000 0.636 30 A CB -0.419 18.512 19.000 -0.117 0.000 0.810 30 A HN 0.564 nan 8.150 nan 0.000 0.448 31 E N -0.751 119.357 120.200 -0.153 0.000 2.057 31 E HA -0.086 4.265 4.350 0.001 0.000 0.190 31 E C 1.942 178.546 176.600 0.008 0.000 0.969 31 E CA 1.572 57.967 56.400 -0.008 0.000 0.812 31 E CB -0.793 29.010 29.700 0.172 0.000 0.777 31 E HN 0.952 nan 8.360 nan 0.000 0.455 32 Y N 0.140 120.439 120.300 -0.001 0.000 2.457 32 Y HA 0.172 4.723 4.550 0.001 0.000 0.292 32 Y C 2.139 178.043 175.900 0.006 0.000 1.125 32 Y CA 0.785 58.893 58.100 0.013 0.000 1.254 32 Y CB -0.307 38.158 38.460 0.009 0.000 1.012 32 Y HN -0.202 nan 8.280 nan 0.000 0.555 33 S N 0.529 116.186 115.700 -0.072 0.000 2.423 33 S HA -0.158 4.313 4.470 0.001 0.000 0.231 33 S C 1.907 176.523 174.600 0.026 0.000 1.014 33 S CA 1.655 59.852 58.200 -0.005 0.000 0.965 33 S CB -0.634 62.480 63.200 -0.143 0.000 0.785 33 S HN 0.791 nan 8.310 nan 0.000 0.495 34 T N -0.470 114.091 114.554 0.013 0.000 3.113 34 T HA 0.115 4.465 4.350 0.001 0.000 0.256 34 T C 0.667 175.393 174.700 0.044 0.000 1.131 34 T CA 0.125 62.237 62.100 0.020 0.000 1.074 34 T CB -0.015 68.856 68.868 0.006 0.000 0.944 34 T HN 0.096 nan 8.240 nan 0.000 0.516 35 Q N 1.688 121.534 119.800 0.076 0.000 2.312 35 Q HA 0.325 4.665 4.340 0.001 0.000 0.236 35 Q C 1.114 177.158 176.000 0.072 0.000 0.965 35 Q CA -0.159 55.692 55.803 0.081 0.000 0.894 35 Q CB 1.437 30.242 28.738 0.111 0.000 1.225 35 Q HN 0.653 nan 8.270 nan 0.000 0.478 36 K N -0.563 119.874 120.400 0.062 0.000 2.354 36 K HA 0.081 4.402 4.320 0.001 0.000 0.194 36 K C -0.200 176.431 176.600 0.052 0.000 1.045 36 K CA 0.418 56.735 56.287 0.050 0.000 1.026 36 K CB 0.534 33.057 32.500 0.040 0.000 0.866 36 K HN 0.543 nan 8.250 nan 0.000 0.530 37 D N -0.906 119.532 120.400 0.063 0.000 2.639 37 D HA 0.020 4.661 4.640 0.001 0.000 0.271 37 D C 0.367 176.714 176.300 0.079 0.000 1.254 37 D CA -0.682 53.356 54.000 0.063 0.000 0.810 37 D CB 0.777 41.612 40.800 0.058 0.000 1.351 37 D HN -0.227 nan 8.370 nan 0.000 0.427 38 Q N -0.333 119.510 119.800 0.073 0.000 2.062 38 Q HA -0.147 4.194 4.340 0.001 0.000 0.209 38 Q C 1.880 177.959 176.000 0.133 0.000 0.996 38 Q CA 1.469 57.321 55.803 0.082 0.000 0.859 38 Q CB -0.320 28.451 28.738 0.055 0.000 0.920 38 Q HN 0.552 nan 8.270 nan 0.000 0.415 39 L N 0.813 122.116 121.223 0.132 0.000 1.994 39 L HA -0.162 4.178 4.340 0.001 0.000 0.208 39 L C 2.327 179.303 176.870 0.176 0.000 1.071 39 L CA 1.909 56.847 54.840 0.163 0.000 0.745 39 L CB -0.786 41.309 42.059 0.061 0.000 0.892 39 L HN 0.049 nan 8.230 nan 0.000 0.431 40 S N -0.332 115.438 115.700 0.117 0.000 2.365 40 S HA -0.246 4.225 4.470 0.001 0.000 0.225 40 S C 1.968 176.654 174.600 0.143 0.000 1.039 40 S CA 1.731 59.994 58.200 0.105 0.000 1.033 40 S CB -0.442 62.807 63.200 0.082 0.000 0.887 40 S HN 0.464 nan 8.310 nan 0.000 0.447 41 R N -0.237 120.359 120.500 0.161 0.000 2.075 41 R HA -0.036 4.305 4.340 0.001 0.000 0.232 41 R C 2.115 178.551 176.300 0.228 0.000 1.126 41 R CA 1.382 57.591 56.100 0.182 0.000 0.963 41 R CB -0.496 29.877 30.300 0.121 0.000 0.858 41 R HN 0.421 nan 8.270 nan 0.000 0.435 42 F N 2.316 122.323 119.950 0.096 0.000 2.134 42 F HA -0.183 4.344 4.527 0.001 0.000 0.299 42 F C 2.114 178.095 175.800 0.302 0.000 1.097 42 F CA 1.582 59.676 58.000 0.157 0.000 1.264 42 F CB -0.229 38.832 39.000 0.102 0.000 1.001 42 F HN -0.060 nan 8.300 nan 0.000 0.479 43 Q N -0.138 119.748 119.800 0.144 0.000 2.167 43 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 43 Q C 2.298 178.289 176.000 -0.015 0.000 0.970 43 Q CA 1.250 57.070 55.803 0.028 0.000 0.855 43 Q CB -0.450 28.326 28.738 0.063 0.000 0.911 43 Q HN 0.505 nan 8.270 nan 0.000 0.438 44 A N 0.756 123.628 122.820 0.088 0.000 2.172 44 A HA -0.113 4.208 4.320 0.001 0.000 0.216 44 A C 2.043 179.773 177.584 0.243 0.000 1.154 44 A CA 1.526 53.646 52.037 0.139 0.000 0.701 44 A CB -0.490 18.622 19.000 0.187 0.000 0.789 44 A HN 0.464 nan 8.150 nan 0.000 0.465 45 T N -3.766 110.918 114.554 0.217 0.000 3.086 45 T HA 0.103 4.454 4.350 0.001 0.000 0.250 45 T C 1.635 176.479 174.700 0.241 0.000 1.074 45 T CA 0.473 62.795 62.100 0.369 0.000 0.988 45 T CB -0.187 68.861 68.868 0.299 0.000 0.988 45 T HN 0.475 nan 8.240 nan 0.000 0.530 46 R N 1.967 122.344 120.500 -0.204 0.000 2.096 46 R HA -0.044 4.296 4.340 0.001 0.000 0.240 46 R C -0.867 175.235 176.300 -0.329 0.000 1.139 46 R CA 1.811 57.465 56.100 -0.744 0.000 0.952 46 R CB -1.148 28.476 30.300 -1.127 0.000 0.854 46 R HN 0.347 nan 8.270 nan 0.000 0.436 47 P HA -0.120 nan 4.420 nan 0.000 0.221 47 P C 0.405 177.477 177.300 -0.381 0.000 1.145 47 P CA 1.325 64.197 63.100 -0.379 0.000 0.795 47 P CB -0.024 31.338 31.700 -0.563 0.000 0.775 48 F N -3.487 116.499 119.950 0.060 0.000 2.387 48 F HA 0.029 4.557 4.527 0.001 0.000 0.294 48 F C 2.380 178.344 175.800 0.273 0.000 1.093 48 F CA 0.460 58.543 58.000 0.139 0.000 1.420 48 F CB -1.177 37.888 39.000 0.108 0.000 1.086 48 F HN -0.156 nan 8.300 nan 0.000 0.531 49 Y N 1.472 121.955 120.300 0.304 0.000 2.242 49 Y HA -0.220 4.331 4.550 0.001 0.000 0.291 49 Y C 2.733 178.746 175.900 0.188 0.000 1.137 49 Y CA 1.567 59.846 58.100 0.299 0.000 1.181 49 Y CB -0.257 38.455 38.460 0.421 0.000 0.989 49 Y HN -0.072 nan 8.280 nan 0.000 0.527 50 R N 0.878 121.487 120.500 0.183 0.000 2.094 50 R HA -0.200 4.140 4.340 0.001 0.000 0.239 50 R C 1.987 178.328 176.300 0.068 0.000 1.137 50 R CA 2.255 58.389 56.100 0.057 0.000 0.943 50 R CB -0.678 29.594 30.300 -0.046 0.000 0.850 50 R HN 0.222 nan 8.270 nan 0.000 0.433 51 E N 0.184 120.464 120.200 0.133 0.000 2.118 51 E HA -0.148 4.202 4.350 0.001 0.000 0.195 51 E C 1.903 178.713 176.600 0.350 0.000 0.992 51 E CA 1.450 58.025 56.400 0.293 0.000 0.804 51 E CB -0.440 29.474 29.700 0.357 0.000 0.741 51 E HN 0.526 nan 8.360 nan 0.000 0.458 52 A N 0.741 123.670 122.820 0.183 0.000 1.902 52 A HA -0.146 4.174 4.320 0.001 0.000 0.217 52 A C 2.603 180.069 177.584 -0.197 0.000 1.181 52 A CA 1.525 53.411 52.037 -0.252 0.000 0.623 52 A CB -0.602 18.276 19.000 -0.205 0.000 0.818 52 A HN 0.149 nan 8.150 nan 0.000 0.443 53 V N -0.212 119.609 119.914 -0.154 0.000 2.307 53 V HA -0.236 3.884 4.120 0.001 0.000 0.245 53 V C 2.590 178.668 176.094 -0.027 0.000 1.045 53 V CA 2.167 64.402 62.300 -0.108 0.000 1.024 53 V CB -0.807 30.965 31.823 -0.085 0.000 0.651 53 V HN 0.580 nan 8.190 nan 0.000 0.449 54 R N -0.716 119.797 120.500 0.021 0.000 2.127 54 R HA -0.180 4.160 4.340 0.001 0.000 0.238 54 R C 2.051 178.337 176.300 -0.023 0.000 1.134 54 R CA 1.626 57.734 56.100 0.014 0.000 0.975 54 R CB -0.193 30.134 30.300 0.045 0.000 0.865 54 R HN 0.617 nan 8.270 nan 0.000 0.447 55 H N -1.683 117.366 119.070 -0.035 0.000 2.547 55 H HA 0.176 4.733 4.556 0.001 0.000 0.266 55 H C 0.977 176.305 175.328 0.000 0.000 0.988 55 H CA 0.785 56.836 56.048 0.005 0.000 1.147 55 H CB 0.698 30.388 29.762 -0.120 0.000 1.365 55 H HN 0.494 nan 8.280 nan 0.000 0.589 56 G N 0.297 109.112 108.800 0.026 0.000 2.143 56 G HA2 -0.295 3.665 3.960 0.001 0.000 0.248 56 G HA3 -0.295 3.665 3.960 0.001 0.000 0.248 56 G C 0.996 175.882 174.900 -0.023 0.000 0.991 56 G CA 0.497 45.589 45.100 -0.013 0.000 0.689 56 G HN 0.445 nan 8.290 nan 0.000 0.522 57 L N -0.198 120.991 121.223 -0.056 0.000 2.313 57 L HA 0.109 4.450 4.340 0.001 0.000 0.214 57 L C 2.660 179.508 176.870 -0.036 0.000 1.119 57 L CA 0.406 55.205 54.840 -0.069 0.000 0.809 57 L CB -0.294 41.647 42.059 -0.197 0.000 0.933 57 L HN 0.274 nan 8.230 nan 0.000 0.449 58 I N -0.038 120.506 120.570 -0.043 0.000 2.333 58 I HA -0.218 3.953 4.170 0.001 0.000 0.246 58 I C 2.438 178.604 176.117 0.082 0.000 1.106 58 I CA 1.278 62.602 61.300 0.041 0.000 1.411 58 I CB -0.964 37.069 38.000 0.055 0.000 1.082 58 I HN 0.241 nan 8.210 nan 0.000 0.420 59 K N 1.430 121.861 120.400 0.053 0.000 2.147 59 K HA -0.110 4.211 4.320 0.001 0.000 0.205 59 K C 2.016 178.629 176.600 0.022 0.000 1.049 59 K CA 1.381 57.697 56.287 0.049 0.000 0.936 59 K CB -0.004 32.509 32.500 0.022 0.000 0.722 59 K HN 0.247 nan 8.250 nan 0.000 0.446 60 A N 0.587 123.410 122.820 0.005 0.000 2.225 60 A HA -0.116 4.205 4.320 0.001 0.000 0.215 60 A C 1.525 179.112 177.584 0.005 0.000 1.164 60 A CA 0.985 53.017 52.037 -0.008 0.000 0.710 60 A CB -0.160 18.835 19.000 -0.009 0.000 0.780 60 A HN 0.330 nan 8.150 nan 0.000 0.473 61 Q N -0.698 119.115 119.800 0.021 0.000 2.425 61 Q HA 0.170 4.510 4.340 0.001 0.000 0.204 61 Q C -0.125 175.870 176.000 -0.008 0.000 0.933 61 Q CA 0.401 56.213 55.803 0.015 0.000 0.939 61 Q CB 0.040 28.797 28.738 0.031 0.000 1.044 61 Q HN 0.390 nan 8.270 nan 0.000 0.513 62 V N 2.546 122.458 119.914 -0.003 0.000 2.495 62 V HA 0.334 4.455 4.120 0.001 0.000 0.298 62 V C -2.302 173.782 176.094 -0.017 0.000 1.031 62 V CA -2.222 60.072 62.300 -0.011 0.000 0.871 62 V CB 1.825 33.657 31.823 0.015 0.000 0.988 62 V HN -0.035 nan 8.190 nan 0.000 0.432 63 P HA 0.260 nan 4.420 nan 0.000 0.271 63 P C 0.965 178.250 177.300 -0.026 0.000 1.233 63 P CA -0.004 63.078 63.100 -0.029 0.000 0.789 63 P CB 0.846 32.530 31.700 -0.027 0.000 0.951 64 I N 2.024 122.573 120.570 -0.035 0.000 2.252 64 I HA -0.124 4.047 4.170 0.001 0.000 0.245 64 I C -0.654 175.451 176.117 -0.021 0.000 1.102 64 I CA 1.419 62.699 61.300 -0.032 0.000 1.385 64 I CB -1.647 36.326 38.000 -0.044 0.000 1.064 64 I HN 0.415 nan 8.210 nan 0.000 0.414 65 P HA -0.112 nan 4.420 nan 0.000 0.226 65 P C 0.916 178.212 177.300 -0.007 0.000 1.146 65 P CA 1.085 64.177 63.100 -0.014 0.000 0.773 65 P CB 0.079 31.770 31.700 -0.014 0.000 0.772 66 L N -2.401 118.818 121.223 -0.006 0.000 2.857 66 L HA 0.437 4.778 4.340 0.001 0.000 0.249 66 L C 1.537 178.414 176.870 0.012 0.000 1.172 66 L CA 0.503 55.345 54.840 0.004 0.000 0.980 66 L CB -0.805 41.257 42.059 0.004 0.000 1.299 66 L HN 0.103 nan 8.230 nan 0.000 0.535 67 G N -1.444 107.359 108.800 0.005 0.000 2.175 67 G HA2 -0.197 3.764 3.960 0.001 0.000 0.244 67 G HA3 -0.197 3.764 3.960 0.001 0.000 0.244 67 G C 0.655 175.561 174.900 0.011 0.000 0.982 67 G CA -0.057 45.048 45.100 0.009 0.000 0.641 67 G HN 0.631 nan 8.290 nan 0.000 0.527 68 G N -1.145 107.659 108.800 0.005 0.000 2.671 68 G HA2 0.671 4.632 3.960 0.001 0.000 0.275 68 G HA3 0.671 4.632 3.960 0.001 0.000 0.275 68 G C 0.848 175.736 174.900 -0.020 0.000 1.368 68 G CA 0.949 46.051 45.100 0.003 0.000 1.044 68 G HN 1.140 nan 8.290 nan 0.000 0.543 69 T N -2.578 111.959 114.554 -0.029 0.000 3.145 69 T HA 0.304 4.655 4.350 0.001 0.000 0.281 69 T C 0.853 175.505 174.700 -0.080 0.000 1.003 69 T CA -0.244 61.822 62.100 -0.056 0.000 0.901 69 T CB -0.201 68.631 68.868 -0.060 0.000 1.112 69 T HN 0.379 nan 8.240 nan 0.000 0.535 70 M N 2.521 122.081 119.600 -0.066 0.000 2.390 70 M HA 0.138 4.619 4.480 0.001 0.000 0.353 70 M C 0.953 177.166 176.300 -0.145 0.000 1.623 70 M CA 0.531 55.781 55.300 -0.084 0.000 1.065 70 M CB 0.487 33.057 32.600 -0.050 0.000 2.025 70 M HN 0.204 nan 8.290 nan 0.000 0.461 71 E N 2.323 122.365 120.200 -0.263 0.000 2.060 71 E HA 0.014 4.365 4.350 0.001 0.000 0.189 71 E C 0.319 176.721 176.600 -0.331 0.000 0.974 71 E CA 0.872 57.007 56.400 -0.442 0.000 0.808 71 E CB 0.263 29.367 29.700 -0.994 0.000 0.768 71 E HN 0.852 nan 8.360 nan 0.000 0.453 72 S N -1.294 114.277 115.700 -0.216 0.000 2.661 72 S HA 0.184 4.654 4.470 0.001 0.000 0.268 72 S C -0.014 174.608 174.600 0.037 0.000 1.162 72 S CA -0.773 57.423 58.200 -0.007 0.000 0.817 72 S CB 0.699 63.962 63.200 0.104 0.000 1.141 72 S HN -0.017 nan 8.310 nan 0.000 0.477 73 L N 1.383 122.617 121.223 0.019 0.000 2.313 73 L HA 0.248 4.589 4.340 0.001 0.000 0.214 73 L C 2.482 179.336 176.870 -0.027 0.000 1.119 73 L CA 1.119 55.966 54.840 0.011 0.000 0.809 73 L CB -1.030 41.036 42.059 0.012 0.000 0.933 73 L HN 0.718 nan 8.230 nan 0.000 0.449 74 V N -1.093 118.759 119.914 -0.104 0.000 2.307 74 V HA -0.295 3.826 4.120 0.001 0.000 0.245 74 V C 2.419 178.350 176.094 -0.272 0.000 1.045 74 V CA 1.542 63.629 62.300 -0.355 0.000 1.024 74 V CB -0.734 30.756 31.823 -0.554 0.000 0.651 74 V HN 0.438 nan 8.190 nan 0.000 0.449 75 H N 0.055 119.015 119.070 -0.183 0.000 2.319 75 H HA -0.194 4.362 4.556 0.001 0.000 0.299 75 H C 2.306 177.614 175.328 -0.033 0.000 1.092 75 H CA 2.010 57.998 56.048 -0.099 0.000 1.302 75 H CB -0.134 29.588 29.762 -0.067 0.000 1.373 75 H HN 0.460 nan 8.280 nan 0.000 0.497 76 E N 0.377 120.644 120.200 0.113 0.000 2.051 76 E HA -0.141 4.209 4.350 0.001 0.000 0.192 76 E C 2.278 178.939 176.600 0.102 0.000 0.991 76 E CA 1.652 58.108 56.400 0.093 0.000 0.799 76 E CB -0.208 29.530 29.700 0.064 0.000 0.748 76 E HN 0.283 nan 8.360 nan 0.000 0.449 77 S N -0.163 115.588 115.700 0.084 0.000 2.368 77 S HA -0.121 4.350 4.470 0.001 0.000 0.225 77 S C 1.970 176.705 174.600 0.225 0.000 1.030 77 S CA 1.292 59.589 58.200 0.163 0.000 0.999 77 S CB -0.339 63.001 63.200 0.232 0.000 0.844 77 S HN 0.299 nan 8.310 nan 0.000 0.459 78 I N 1.072 121.740 120.570 0.163 0.000 2.252 78 I HA -0.173 3.998 4.170 0.001 0.000 0.245 78 I C 2.039 178.266 176.117 0.184 0.000 1.102 78 I CA 1.117 62.534 61.300 0.196 0.000 1.385 78 I CB -0.367 37.676 38.000 0.072 0.000 1.064 78 I HN 0.242 nan 8.210 nan 0.000 0.414 79 I N 0.496 121.164 120.570 0.164 0.000 2.127 79 I HA -0.322 3.848 4.170 0.001 0.000 0.241 79 I C 2.455 178.706 176.117 0.223 0.000 1.075 79 I CA 1.619 63.030 61.300 0.185 0.000 1.334 79 I CB -0.340 37.763 38.000 0.172 0.000 1.040 79 I HN 0.181 nan 8.210 nan 0.000 0.405 80 L N 0.281 121.642 121.223 0.231 0.000 2.079 80 L HA -0.246 4.094 4.340 0.001 0.000 0.210 80 L C 2.598 179.666 176.870 0.330 0.000 1.081 80 L CA 1.493 56.518 54.840 0.308 0.000 0.752 80 L CB -0.643 41.528 42.059 0.186 0.000 0.896 80 L HN 0.350 nan 8.230 nan 0.000 0.433 81 E N 0.131 120.471 120.200 0.233 0.000 2.051 81 E HA -0.237 4.114 4.350 0.001 0.000 0.192 81 E C 2.038 178.775 176.600 0.228 0.000 0.991 81 E CA 1.184 57.710 56.400 0.209 0.000 0.799 81 E CB 0.175 29.987 29.700 0.186 0.000 0.748 81 E HN 0.370 nan 8.360 nan 0.000 0.449 82 E N 0.301 120.630 120.200 0.214 0.000 2.072 82 E HA -0.156 4.195 4.350 0.001 0.000 0.191 82 E C 2.147 178.853 176.600 0.177 0.000 0.985 82 E CA 0.542 57.049 56.400 0.178 0.000 0.801 82 E CB -0.183 29.613 29.700 0.161 0.000 0.750 82 E HN 0.256 nan 8.360 nan 0.000 0.452 83 L N -0.220 121.136 121.223 0.221 0.000 2.005 83 L HA -0.095 4.246 4.340 0.001 0.000 0.207 83 L C 2.246 179.170 176.870 0.090 0.000 1.072 83 L CA 1.454 56.391 54.840 0.161 0.000 0.744 83 L CB -0.959 41.217 42.059 0.195 0.000 0.895 83 L HN 0.058 nan 8.230 nan 0.000 0.433 84 F N -0.563 119.464 119.950 0.129 0.000 2.365 84 F HA -0.077 4.451 4.527 0.001 0.000 0.300 84 F C 2.346 178.207 175.800 0.101 0.000 1.090 84 F CA 0.825 58.904 58.000 0.131 0.000 1.408 84 F CB -0.765 38.319 39.000 0.140 0.000 1.060 84 F HN 0.062 nan 8.300 nan 0.000 0.534 85 A N -0.643 122.316 122.820 0.231 0.000 2.121 85 A HA -0.038 4.283 4.320 0.001 0.000 0.218 85 A C 2.111 179.738 177.584 0.072 0.000 1.154 85 A CA 1.771 53.893 52.037 0.141 0.000 0.679 85 A CB -0.694 18.382 19.000 0.126 0.000 0.795 85 A HN 0.212 nan 8.150 nan 0.000 0.458 86 V N -1.502 118.440 119.914 0.046 0.000 2.743 86 V HA 0.195 4.315 4.120 0.001 0.000 0.237 86 V C 0.393 176.464 176.094 -0.038 0.000 1.113 86 V CA 1.124 63.418 62.300 -0.009 0.000 1.141 86 V CB 0.269 32.076 31.823 -0.027 0.000 0.873 86 V HN 0.538 nan 8.190 nan 0.000 0.486 87 E N -0.575 119.587 120.200 -0.064 0.000 2.499 87 E HA 0.286 4.637 4.350 0.001 0.000 0.327 87 E C -2.565 173.910 176.600 -0.209 0.000 0.929 87 E CA -1.271 55.071 56.400 -0.096 0.000 0.788 87 E CB 1.802 31.445 29.700 -0.095 0.000 1.452 87 E HN 0.034 nan 8.360 nan 0.000 0.387 88 P HA -0.034 nan 4.420 nan 0.000 0.219 88 P C -0.062 177.122 177.300 -0.193 0.000 1.146 88 P CA 1.121 63.988 63.100 -0.388 0.000 0.808 88 P CB 0.157 31.905 31.700 0.081 0.000 0.779 89 A N -0.708 122.053 122.820 -0.100 0.000 2.540 89 A HA 0.185 4.506 4.320 0.001 0.000 0.239 89 A C 1.396 179.003 177.584 0.039 0.000 1.061 89 A CA 1.274 53.285 52.037 -0.044 0.000 0.758 89 A CB -0.997 17.935 19.000 -0.113 0.000 0.991 89 A HN 0.246 nan 8.150 nan 0.000 0.502 90 T N 1.551 116.214 114.554 0.183 0.000 12.209 90 T HA -0.308 4.043 4.350 0.001 0.000 0.417 90 T C 1.894 176.772 174.700 0.296 0.000 1.458 90 T CA 2.364 64.666 62.100 0.337 0.000 2.409 90 T CB -1.859 67.241 68.868 0.386 0.000 2.842 90 T HN 0.964 nan 8.240 nan 0.000 0.841 91 S N 0.750 116.505 115.700 0.091 0.000 2.372 91 S HA -0.128 4.343 4.470 0.001 0.000 0.227 91 S C 1.764 176.469 174.600 0.174 0.000 1.044 91 S CA 1.772 59.953 58.200 -0.031 0.000 1.050 91 S CB -0.410 62.399 63.200 -0.652 0.000 0.901 91 S HN 0.545 nan 8.310 nan 0.000 0.447 92 I N 2.070 122.755 120.570 0.192 0.000 2.286 92 I HA -0.176 3.994 4.170 0.001 0.000 0.248 92 I C 2.107 178.437 176.117 0.355 0.000 1.115 92 I CA 1.561 63.132 61.300 0.452 0.000 1.392 92 I CB -0.932 37.307 38.000 0.398 0.000 1.065 92 I HN 0.224 nan 8.210 nan 0.000 0.418 93 T N 0.813 115.573 114.554 0.343 0.000 2.746 93 T HA -0.128 4.222 4.350 0.001 0.000 0.267 93 T C 2.029 176.992 174.700 0.437 0.000 1.039 93 T CA 1.982 64.288 62.100 0.344 0.000 1.142 93 T CB -0.433 68.658 68.868 0.372 0.000 0.866 93 T HN 0.334 nan 8.240 nan 0.000 0.444 94 I N 0.562 121.425 120.570 0.488 0.000 2.179 94 I HA -0.133 4.037 4.170 0.001 0.000 0.242 94 I C 2.564 178.849 176.117 0.280 0.000 1.088 94 I CA 1.018 62.556 61.300 0.397 0.000 1.357 94 I CB -0.372 37.788 38.000 0.266 0.000 1.051 94 I HN 0.098 nan 8.210 nan 0.000 0.409 95 V N 0.471 120.551 119.914 0.277 0.000 2.719 95 V HA -0.085 4.036 4.120 0.001 0.000 0.252 95 V C 2.493 178.659 176.094 0.121 0.000 1.065 95 V CA 1.615 64.032 62.300 0.194 0.000 1.086 95 V CB -0.027 31.935 31.823 0.233 0.000 0.700 95 V HN 0.407 nan 8.190 nan 0.000 0.467 96 A N -0.753 122.157 122.820 0.150 0.000 1.930 96 A HA -0.171 4.150 4.320 0.001 0.000 0.217 96 A C 2.312 179.923 177.584 0.044 0.000 1.175 96 A CA 2.392 54.475 52.037 0.076 0.000 0.627 96 A CB -0.980 18.076 19.000 0.093 0.000 0.815 96 A HN 0.513 nan 8.150 nan 0.000 0.443 97 T N 0.274 114.896 114.554 0.114 0.000 2.708 97 T HA -0.045 4.306 4.350 0.001 0.000 0.266 97 T C 2.254 176.940 174.700 -0.024 0.000 1.037 97 T CA 1.620 63.778 62.100 0.096 0.000 1.146 97 T CB -0.478 68.565 68.868 0.291 0.000 0.865 97 T HN 0.606 nan 8.240 nan 0.000 0.435 98 A N 1.466 124.293 122.820 0.012 0.000 1.892 98 A HA -0.079 4.242 4.320 0.001 0.000 0.218 98 A C 2.315 179.835 177.584 -0.106 0.000 1.188 98 A CA 1.385 53.396 52.037 -0.043 0.000 0.631 98 A CB -1.029 17.974 19.000 0.004 0.000 0.822 98 A HN 0.475 nan 8.150 nan 0.000 0.447 99 L N -0.692 120.463 121.223 -0.113 0.000 2.012 99 L HA -0.179 4.162 4.340 0.001 0.000 0.210 99 L C 2.624 179.357 176.870 -0.230 0.000 1.073 99 L CA 1.901 56.619 54.840 -0.203 0.000 0.748 99 L CB -0.978 40.942 42.059 -0.231 0.000 0.891 99 L HN 0.496 nan 8.230 nan 0.000 0.431 100 G N -0.303 108.390 108.800 -0.178 0.000 2.450 100 G HA2 -0.249 3.712 3.960 0.001 0.000 0.220 100 G HA3 -0.249 3.712 3.960 0.001 0.000 0.220 100 G C 1.525 176.295 174.900 -0.216 0.000 1.130 100 G CA 0.683 45.678 45.100 -0.175 0.000 0.760 100 G HN 0.400 nan 8.290 nan 0.000 0.557 101 L N -0.255 120.817 121.223 -0.251 0.000 2.375 101 L HA 0.132 4.472 4.340 0.001 0.000 0.215 101 L C 2.794 179.546 176.870 -0.196 0.000 1.108 101 L CA -0.155 54.518 54.840 -0.278 0.000 0.830 101 L CB -0.239 41.604 42.059 -0.359 0.000 0.959 101 L HN 0.077 nan 8.230 nan 0.000 0.457 102 M N 0.325 119.814 119.600 -0.184 0.000 2.108 102 M HA -0.118 4.362 4.480 0.001 0.000 0.261 102 M C -0.212 175.999 176.300 -0.149 0.000 1.066 102 M CA 2.035 57.241 55.300 -0.157 0.000 1.107 102 M CB -2.020 30.479 32.600 -0.169 0.000 1.356 102 M HN 0.023 nan 8.290 nan 0.000 0.406 103 P HA -0.073 nan 4.420 nan 0.000 0.217 103 P C 1.959 179.183 177.300 -0.125 0.000 1.150 103 P CA 1.031 64.042 63.100 -0.148 0.000 0.832 103 P CB -0.083 31.521 31.700 -0.160 0.000 0.787 104 V N -0.240 119.598 119.914 -0.127 0.000 2.270 104 V HA -0.227 3.894 4.120 0.001 0.000 0.245 104 V C 2.377 178.435 176.094 -0.061 0.000 1.043 104 V CA 1.617 63.864 62.300 -0.088 0.000 1.014 104 V CB -1.154 30.628 31.823 -0.069 0.000 0.645 104 V HN 0.026 nan 8.190 nan 0.000 0.447 105 I N -0.389 120.136 120.570 -0.075 0.000 2.248 105 I HA -0.287 3.884 4.170 0.001 0.000 0.248 105 I C 2.124 178.207 176.117 -0.057 0.000 1.107 105 I CA 1.707 62.971 61.300 -0.059 0.000 1.373 105 I CB -0.213 37.745 38.000 -0.069 0.000 1.055 105 I HN 0.269 nan 8.210 nan 0.000 0.418 106 L N 0.210 121.388 121.223 -0.075 0.000 2.509 106 L HA 0.014 4.355 4.340 0.001 0.000 0.222 106 L C 1.449 178.273 176.870 -0.077 0.000 1.123 106 L CA -0.387 54.404 54.840 -0.081 0.000 0.856 106 L CB -0.293 41.704 42.059 -0.105 0.000 0.985 106 L HN 0.469 nan 8.230 nan 0.000 0.456 107 C N -0.857 118.402 119.300 -0.068 0.000 2.595 107 C HA 0.202 4.662 4.460 0.001 0.000 0.384 107 C C 1.397 176.362 174.990 -0.042 0.000 1.289 107 C CA -0.714 58.267 59.018 -0.061 0.000 2.372 107 C CB 0.516 28.220 27.740 -0.060 0.000 2.593 107 C HN 0.540 nan 8.230 nan 0.000 0.639 108 D N 0.461 120.838 120.400 -0.039 0.000 2.352 108 D HA 0.090 4.730 4.640 0.001 0.000 0.236 108 D C 0.304 176.597 176.300 -0.012 0.000 1.148 108 D CA 0.242 54.226 54.000 -0.026 0.000 0.844 108 D CB -0.417 40.366 40.800 -0.029 0.000 0.933 108 D HN 0.543 nan 8.370 nan 0.000 0.507 109 S N 0.436 116.134 115.700 -0.005 0.000 2.622 109 S HA 0.399 4.870 4.470 0.001 0.000 0.283 109 S C -1.984 172.631 174.600 0.024 0.000 1.197 109 S CA -1.443 56.764 58.200 0.012 0.000 1.146 109 S CB 1.418 64.629 63.200 0.019 0.000 1.007 109 S HN -0.216 nan 8.310 nan 0.000 0.478 110 P HA -0.118 nan 4.420 nan 0.000 0.219 110 P C 1.499 178.817 177.300 0.029 0.000 1.146 110 P CA 1.086 64.198 63.100 0.020 0.000 0.808 110 P CB 0.077 31.784 31.700 0.012 0.000 0.779 111 S N -1.555 114.165 115.700 0.034 0.000 2.395 111 S HA -0.058 4.413 4.470 0.001 0.000 0.225 111 S C 1.834 176.470 174.600 0.060 0.000 1.027 111 S CA 0.637 58.857 58.200 0.032 0.000 0.965 111 S CB -1.395 61.822 63.200 0.028 0.000 0.812 111 S HN -0.087 nan 8.310 nan 0.000 0.482 112 L N 2.217 123.511 121.223 0.118 0.000 1.989 112 L HA -0.081 4.259 4.340 0.001 0.000 0.211 112 L C 2.919 179.956 176.870 0.279 0.000 1.071 112 L CA 1.773 56.775 54.840 0.270 0.000 0.749 112 L CB -1.513 40.667 42.059 0.202 0.000 0.890 112 L HN 0.413 nan 8.230 nan 0.000 0.431 113 Q N -1.077 118.810 119.800 0.145 0.000 2.062 113 Q HA -0.272 4.068 4.340 0.001 0.000 0.209 113 Q C 2.236 178.295 176.000 0.097 0.000 0.996 113 Q CA 1.925 57.794 55.803 0.110 0.000 0.859 113 Q CB -0.291 28.478 28.738 0.053 0.000 0.920 113 Q HN 0.487 nan 8.270 nan 0.000 0.415 114 E N 0.872 121.104 120.200 0.053 0.000 2.077 114 E HA -0.210 4.141 4.350 0.001 0.000 0.193 114 E C 1.919 178.508 176.600 -0.017 0.000 0.989 114 E CA 1.018 57.430 56.400 0.020 0.000 0.800 114 E CB 0.062 29.763 29.700 0.002 0.000 0.746 114 E HN 0.193 nan 8.360 nan 0.000 0.452 115 K N -0.640 119.706 120.400 -0.090 0.000 2.031 115 K HA -0.111 4.210 4.320 0.001 0.000 0.205 115 K C 2.021 178.436 176.600 -0.309 0.000 1.049 115 K CA 1.247 57.355 56.287 -0.298 0.000 0.939 115 K CB -0.107 32.046 32.500 -0.579 0.000 0.717 115 K HN 0.025 nan 8.250 nan 0.000 0.438 116 F N 0.864 120.858 119.950 0.073 0.000 2.387 116 F HA 0.081 4.609 4.527 0.001 0.000 0.294 116 F C 1.877 177.796 175.800 0.197 0.000 1.093 116 F CA 0.426 58.495 58.000 0.114 0.000 1.420 116 F CB -0.108 38.936 39.000 0.073 0.000 1.086 116 F HN -0.081 nan 8.300 nan 0.000 0.531 117 L N 0.029 121.429 121.223 0.295 0.000 2.291 117 L HA -0.142 4.199 4.340 0.001 0.000 0.214 117 L C 2.367 179.432 176.870 0.325 0.000 1.120 117 L CA 0.793 55.803 54.840 0.285 0.000 0.799 117 L CB -0.614 41.530 42.059 0.142 0.000 0.925 117 L HN 0.104 nan 8.230 nan 0.000 0.446 118 K N 1.212 121.727 120.400 0.192 0.000 2.032 118 K HA -0.209 4.111 4.320 0.001 0.000 0.218 118 K C -0.706 175.949 176.600 0.091 0.000 1.054 118 K CA 2.119 58.469 56.287 0.104 0.000 0.941 118 K CB -0.814 31.704 32.500 0.030 0.000 0.720 118 K HN 0.196 nan 8.250 nan 0.000 0.449 119 P HA -0.045 nan 4.420 nan 0.000 0.237 119 P C 0.303 177.473 177.300 -0.217 0.000 1.178 119 P CA 0.942 63.962 63.100 -0.132 0.000 0.766 119 P CB 0.044 31.585 31.700 -0.265 0.000 0.876 120 F N -0.455 119.539 119.950 0.073 0.000 2.698 120 F HA 0.194 4.721 4.527 0.001 0.000 0.295 120 F C 1.933 177.759 175.800 0.044 0.000 1.124 120 F CA 0.283 58.328 58.000 0.075 0.000 1.426 120 F CB -0.481 38.569 39.000 0.084 0.000 1.120 120 F HN -0.152 nan 8.300 nan 0.000 0.583 121 I N -2.543 118.134 120.570 0.179 0.000 3.956 121 I HA 0.151 4.321 4.170 0.001 0.000 0.333 121 I C 1.931 178.076 176.117 0.047 0.000 1.302 121 I CA 0.554 61.912 61.300 0.098 0.000 1.122 121 I CB -0.351 37.697 38.000 0.081 0.000 1.013 121 I HN 0.036 nan 8.210 nan 0.000 0.405 122 S N 1.257 116.977 115.700 0.032 0.000 2.436 122 S HA 0.150 4.621 4.470 0.001 0.000 0.228 122 S C 1.903 176.502 174.600 -0.001 0.000 1.014 122 S CA 0.795 58.999 58.200 0.006 0.000 0.950 122 S CB -0.511 62.682 63.200 -0.011 0.000 0.784 122 S HN 0.837 nan 8.310 nan 0.000 0.504 123 G N 1.416 110.217 108.800 0.002 0.000 2.159 123 G HA2 -0.261 3.700 3.960 0.001 0.000 0.256 123 G HA3 -0.261 3.700 3.960 0.001 0.000 0.256 123 G C -0.185 174.708 174.900 -0.011 0.000 0.977 123 G CA 0.469 45.565 45.100 -0.006 0.000 0.652 123 G HN 0.938 nan 8.290 nan 0.000 0.531 124 E N -0.665 119.528 120.200 -0.012 0.000 2.359 124 E HA 0.667 5.018 4.350 0.001 0.000 0.266 124 E C 0.789 177.386 176.600 -0.005 0.000 0.920 124 E CA -0.592 55.801 56.400 -0.012 0.000 0.788 124 E CB 1.782 31.473 29.700 -0.016 0.000 1.279 124 E HN 1.696 nan 8.360 nan 0.000 0.438 125 G N 1.191 109.992 108.800 0.002 0.000 2.645 125 G HA2 -0.273 3.688 3.960 0.001 0.000 0.246 125 G HA3 -0.273 3.688 3.960 0.001 0.000 0.246 125 G C -0.602 174.351 174.900 0.089 0.000 1.322 125 G CA 0.254 45.368 45.100 0.023 0.000 0.898 125 G HN 0.587 nan 8.290 nan 0.000 0.573 126 E N 1.274 121.580 120.200 0.177 0.000 4.052 126 E HA 0.372 4.722 4.350 0.001 0.000 0.219 126 E C -2.393 174.550 176.600 0.571 0.000 1.166 126 E CA -1.167 55.508 56.400 0.459 0.000 1.338 126 E CB 1.400 31.311 29.700 0.353 0.000 1.212 126 E HN 0.499 nan 8.360 nan 0.000 0.432 127 P HA 0.048 nan 4.420 nan 0.000 0.271 127 P C -0.487 177.038 177.300 0.376 0.000 1.220 127 P CA 0.064 63.209 63.100 0.075 0.000 0.768 127 P CB 0.984 32.311 31.700 -0.622 0.000 0.848 128 L N 2.546 123.937 121.223 0.280 0.000 2.322 128 L HA 0.710 5.051 4.340 0.001 0.000 0.281 128 L C 0.483 177.596 176.870 0.405 0.000 1.014 128 L CA -0.814 54.173 54.840 0.244 0.000 0.815 128 L CB 1.845 43.819 42.059 -0.141 0.000 1.247 128 L HN 0.383 nan 8.230 nan 0.000 0.421 129 A N 2.160 125.185 122.820 0.342 0.000 2.354 129 A HA 0.850 5.171 4.320 0.001 0.000 0.321 129 A C -0.684 176.919 177.584 0.033 0.000 1.125 129 A CA -0.528 51.593 52.037 0.141 0.000 0.799 129 A CB 2.002 20.910 19.000 -0.153 0.000 1.293 129 A HN 0.521 nan 8.150 nan 0.000 0.452 130 S N 0.463 116.163 115.700 -0.001 0.000 2.603 130 S HA 0.476 4.947 4.470 0.001 0.000 0.274 130 S C -1.486 173.087 174.600 -0.046 0.000 1.168 130 S CA -0.451 57.738 58.200 -0.018 0.000 0.963 130 S CB 0.766 63.972 63.200 0.010 0.000 1.078 130 S HN 0.845 nan 8.310 nan 0.000 0.477 131 L N 5.794 126.967 121.223 -0.083 0.000 2.295 131 L HA 0.508 4.848 4.340 0.001 0.000 0.288 131 L C -0.317 176.548 176.870 -0.009 0.000 1.079 131 L CA -0.215 54.561 54.840 -0.106 0.000 0.830 131 L CB 0.339 42.240 42.059 -0.263 0.000 1.200 131 L HN 0.740 nan 8.230 nan 0.000 0.438 132 M N 5.191 124.803 119.600 0.020 0.000 2.435 132 M HA 0.134 4.615 4.480 0.001 0.000 0.344 132 M C 0.415 176.766 176.300 0.085 0.000 1.329 132 M CA 0.048 55.387 55.300 0.066 0.000 1.320 132 M CB 0.331 32.980 32.600 0.082 0.000 1.309 132 M HN 0.638 nan 8.290 nan 0.000 0.451 133 H N 0.154 119.224 119.070 0.000 0.000 2.381 133 H HA 0.278 4.835 4.556 0.001 0.000 0.252 133 H C 0.148 175.426 175.328 -0.084 0.000 0.920 133 H CA 0.154 56.160 56.048 -0.070 0.000 1.100 133 H CB 0.788 30.525 29.762 -0.042 0.000 1.435 133 H HN 0.440 nan 8.280 nan 0.000 0.454 134 S N 1.565 117.281 115.700 0.027 0.000 2.568 134 S HA 0.112 4.582 4.470 0.001 0.000 0.282 134 S C -0.106 174.510 174.600 0.027 0.000 1.338 134 S CA 0.145 58.365 58.200 0.033 0.000 1.045 134 S CB 1.041 64.375 63.200 0.225 0.000 0.873 134 S HN 0.381 nan 8.310 nan 0.000 0.516 135 E N 1.466 121.682 120.200 0.027 0.000 2.392 135 E HA 0.266 4.617 4.350 0.001 0.000 0.269 135 E C -2.081 174.516 176.600 -0.004 0.000 0.924 135 E CA -2.138 54.254 56.400 -0.014 0.000 0.784 135 E CB 1.107 30.782 29.700 -0.043 0.000 1.292 135 E HN 0.187 nan 8.360 nan 0.000 0.447 136 P HA -0.097 nan 4.420 nan 0.000 0.218 136 P C 0.284 177.568 177.300 -0.025 0.000 1.149 136 P CA 1.315 64.330 63.100 -0.142 0.000 0.817 136 P CB 0.134 31.712 31.700 -0.203 0.000 0.785 137 N N -0.901 117.798 118.700 -0.002 0.000 2.398 137 N HA 0.197 4.938 4.740 0.001 0.000 0.188 137 N C 0.557 176.086 175.510 0.032 0.000 1.122 137 N CA 0.184 53.244 53.050 0.016 0.000 0.866 137 N CB 0.084 38.581 38.487 0.015 0.000 0.970 137 N HN 0.115 nan 8.380 nan 0.000 0.462 138 G N 0.314 109.142 108.800 0.046 0.000 2.707 138 G HA2 -0.212 3.749 3.960 0.001 0.000 0.686 138 G HA3 -0.212 3.749 3.960 0.001 0.000 0.686 138 G C 0.250 175.160 174.900 0.017 0.000 1.315 138 G CA -0.146 44.978 45.100 0.041 0.000 0.832 138 G HN 0.175 nan 8.290 nan 0.000 0.573 139 T N -2.809 111.746 114.554 0.002 0.000 3.130 139 T HA 0.588 4.938 4.350 0.001 0.000 0.288 139 T C 2.198 176.967 174.700 0.114 0.000 0.936 139 T CA 1.357 63.456 62.100 -0.002 0.000 0.897 139 T CB 0.533 69.289 68.868 -0.186 0.000 1.178 139 T HN 2.076 nan 8.240 nan 0.000 0.543 140 A N 2.922 125.787 122.820 0.074 0.000 2.024 140 A HA -0.061 4.260 4.320 0.001 0.000 0.220 140 A C 1.841 179.523 177.584 0.163 0.000 1.164 140 A CA 1.207 53.300 52.037 0.094 0.000 0.643 140 A CB -0.476 18.544 19.000 0.032 0.000 0.806 140 A HN 0.550 nan 8.150 nan 0.000 0.451 141 N N -0.516 118.280 118.700 0.160 0.000 2.275 141 N HA 0.009 4.750 4.740 0.001 0.000 0.236 141 N C 1.078 176.680 175.510 0.154 0.000 1.154 141 N CA 0.230 53.353 53.050 0.120 0.000 0.866 141 N CB 0.001 38.524 38.487 0.060 0.000 1.093 141 N HN 0.915 nan 8.380 nan 0.000 0.515 142 W N 0.844 122.143 121.300 -0.001 0.000 2.364 142 W HA -0.059 4.602 4.660 0.001 0.000 0.281 142 W C 0.311 176.837 176.519 0.012 0.000 1.219 142 W CA 0.333 57.679 57.345 0.002 0.000 1.220 142 W CB -0.881 28.586 29.460 0.013 0.000 1.127 142 W HN -0.001 nan 8.180 nan 0.000 0.556 143 L N 1.105 122.044 121.223 -0.474 0.000 2.700 143 L HA 0.215 4.556 4.340 0.001 0.000 0.234 143 L C 1.206 177.937 176.870 -0.233 0.000 1.156 143 L CA -0.098 54.432 54.840 -0.516 0.000 0.946 143 L CB -0.554 41.073 42.059 -0.720 0.000 1.216 143 L HN -0.099 nan 8.230 nan 0.000 0.493 144 Q N 2.502 122.230 119.800 -0.121 0.000 2.286 144 Q HA 0.041 4.381 4.340 0.001 0.000 0.267 144 Q C 0.034 175.996 176.000 -0.064 0.000 1.028 144 Q CA 0.016 55.776 55.803 -0.071 0.000 0.901 144 Q CB 0.764 29.485 28.738 -0.028 0.000 1.183 144 Q HN 0.092 nan 8.270 nan 0.000 0.392 145 K N 2.918 123.281 120.400 -0.063 0.000 2.412 145 K HA 0.144 4.465 4.320 0.001 0.000 0.284 145 K C 0.510 177.091 176.600 -0.031 0.000 1.046 145 K CA 1.065 57.322 56.287 -0.049 0.000 0.999 145 K CB 0.063 32.535 32.500 -0.047 0.000 0.941 145 K HN 0.930 nan 8.250 nan 0.000 0.474 146 G N 2.601 111.386 108.800 -0.024 0.000 2.232 146 G HA2 -0.221 3.739 3.960 0.001 0.000 0.226 146 G HA3 -0.221 3.739 3.960 0.001 0.000 0.226 146 G C 0.415 175.311 174.900 -0.008 0.000 0.996 146 G CA -0.208 44.883 45.100 -0.014 0.000 0.626 146 G HN 0.921 nan 8.290 nan 0.000 0.509 147 G N 0.533 109.327 108.800 -0.009 0.000 2.599 147 G HA2 0.561 4.522 3.960 0.001 0.000 0.264 147 G HA3 0.561 4.522 3.960 0.001 0.000 0.264 147 G C -0.307 174.598 174.900 0.007 0.000 1.200 147 G CA -0.069 45.032 45.100 0.001 0.000 0.896 147 G HN 0.142 nan 8.290 nan 0.000 0.536 148 P HA 0.043 nan 4.420 nan 0.000 0.230 148 P C 1.300 178.618 177.300 0.030 0.000 1.158 148 P CA 1.187 64.300 63.100 0.021 0.000 0.769 148 P CB -0.135 31.578 31.700 0.023 0.000 0.807 149 G N 0.555 109.378 108.800 0.038 0.000 2.749 149 G HA2 -0.268 3.693 3.960 0.001 0.000 0.242 149 G HA3 -0.268 3.693 3.960 0.001 0.000 0.242 149 G C -0.401 174.550 174.900 0.085 0.000 1.364 149 G CA -0.452 44.685 45.100 0.061 0.000 0.888 149 G HN 0.289 nan 8.290 nan 0.000 0.566 150 L N 0.349 121.643 121.223 0.118 0.000 2.506 150 L HA 0.107 4.448 4.340 0.001 0.000 0.281 150 L C 1.647 178.545 176.870 0.046 0.000 1.228 150 L CA 0.141 55.029 54.840 0.080 0.000 0.850 150 L CB 0.490 42.603 42.059 0.089 0.000 1.110 150 L HN 0.586 nan 8.230 nan 0.000 0.496 151 Q N 0.375 120.191 119.800 0.026 0.000 2.281 151 Q HA 0.128 4.468 4.340 0.001 0.000 0.215 151 Q C -0.031 175.988 176.000 0.031 0.000 0.867 151 Q CA 0.214 56.035 55.803 0.029 0.000 0.940 151 Q CB 0.642 29.396 28.738 0.027 0.000 1.111 151 Q HN 0.634 nan 8.270 nan 0.000 0.513 152 T N 2.580 117.146 114.554 0.019 0.000 2.728 152 T HA 0.344 4.694 4.350 0.001 0.000 0.296 152 T C 0.288 174.987 174.700 -0.002 0.000 0.940 152 T CA -0.118 61.989 62.100 0.012 0.000 1.013 152 T CB 0.870 69.732 68.868 -0.009 0.000 0.912 152 T HN 0.191 nan 8.240 nan 0.000 0.484 153 T N 0.036 114.596 114.554 0.011 0.000 2.930 153 T HA 0.853 5.204 4.350 0.001 0.000 0.290 153 T C -0.725 173.997 174.700 0.036 0.000 1.052 153 T CA -1.126 60.991 62.100 0.028 0.000 1.017 153 T CB 2.017 70.915 68.868 0.049 0.000 1.137 153 T HN 0.624 nan 8.240 nan 0.000 0.511 154 A N 1.864 124.735 122.820 0.085 0.000 2.393 154 A HA 0.845 5.166 4.320 0.001 0.000 0.306 154 A C -0.239 177.541 177.584 0.326 0.000 1.050 154 A CA -1.243 50.910 52.037 0.194 0.000 0.724 154 A CB 1.295 20.382 19.000 0.145 0.000 1.248 154 A HN 1.122 nan 8.150 nan 0.000 0.424 155 R N 1.324 122.000 120.500 0.293 0.000 2.740 155 R HA 0.668 5.009 4.340 0.001 0.000 0.282 155 R C -0.873 175.382 176.300 -0.075 0.000 0.969 155 R CA -0.812 55.377 56.100 0.148 0.000 0.918 155 R CB 1.742 32.065 30.300 0.039 0.000 1.175 155 R HN 0.532 nan 8.270 nan 0.000 0.464 156 K N 2.174 122.282 120.400 -0.486 0.000 2.276 156 K HA 0.279 4.599 4.320 0.001 0.000 0.285 156 K C -1.200 175.153 176.600 -0.412 0.000 1.062 156 K CA -0.553 55.221 56.287 -0.856 0.000 0.918 156 K CB 1.315 33.041 32.500 -1.291 0.000 1.055 156 K HN 0.463 nan 8.250 nan 0.000 0.477 157 V N 5.126 124.853 119.914 -0.311 0.000 2.380 157 V HA 0.420 4.540 4.120 0.001 0.000 0.286 157 V C 0.730 176.747 176.094 -0.128 0.000 1.015 157 V CA 0.074 62.280 62.300 -0.157 0.000 0.834 157 V CB 0.359 32.150 31.823 -0.053 0.000 1.009 157 V HN 1.179 nan 8.190 nan 0.000 0.428 158 G N 5.472 114.188 108.800 -0.139 0.000 2.543 158 G HA2 -0.351 3.610 3.960 0.001 0.000 0.286 158 G HA3 -0.351 3.610 3.960 0.001 0.000 0.286 158 G C 0.590 175.399 174.900 -0.152 0.000 1.153 158 G CA 0.800 45.833 45.100 -0.112 0.000 0.968 158 G HN 1.175 nan 8.290 nan 0.000 0.544 159 N N 1.535 120.181 118.700 -0.089 0.000 2.251 159 N HA 0.312 5.053 4.740 0.001 0.000 0.217 159 N C 0.321 175.838 175.510 0.012 0.000 1.124 159 N CA 0.697 53.706 53.050 -0.067 0.000 0.843 159 N CB 0.100 38.579 38.487 -0.013 0.000 1.024 159 N HN 0.934 nan 8.380 nan 0.000 0.501 160 E N -0.505 119.679 120.200 -0.027 0.000 2.416 160 E HA 0.287 4.638 4.350 0.001 0.000 0.273 160 E C -1.562 175.000 176.600 -0.062 0.000 0.935 160 E CA -1.094 55.353 56.400 0.078 0.000 0.784 160 E CB 0.751 30.553 29.700 0.170 0.000 1.301 160 E HN 0.103 nan 8.360 nan 0.000 0.454 161 W N 0.686 122.029 121.300 0.073 0.000 2.570 161 W HA 0.511 5.172 4.660 0.001 0.000 0.337 161 W C -0.827 175.652 176.519 -0.067 0.000 1.067 161 W CA -0.579 56.777 57.345 0.019 0.000 1.229 161 W CB 1.919 31.401 29.460 0.037 0.000 1.355 161 W HN 0.226 nan 8.180 nan 0.000 0.555 162 V N 4.819 124.803 119.914 0.116 0.000 2.409 162 V HA 0.416 4.537 4.120 0.001 0.000 0.291 162 V C -0.166 175.971 176.094 0.070 0.000 1.020 162 V CA -1.027 61.227 62.300 -0.078 0.000 0.848 162 V CB 1.008 32.669 31.823 -0.270 0.000 0.990 162 V HN 0.344 nan 8.190 nan 0.000 0.430 163 I N 3.246 123.878 120.570 0.104 0.000 2.359 163 I HA 0.519 4.690 4.170 0.001 0.000 0.294 163 I C 0.184 176.369 176.117 0.114 0.000 0.987 163 I CA 0.072 61.401 61.300 0.048 0.000 1.225 163 I CB 1.774 39.670 38.000 -0.173 0.000 1.366 163 I HN 0.523 nan 8.210 nan 0.000 0.466 164 S N 3.552 119.301 115.700 0.081 0.000 2.561 164 S HA 0.885 5.356 4.470 0.001 0.000 0.303 164 S C 0.059 174.722 174.600 0.105 0.000 1.110 164 S CA -0.464 57.804 58.200 0.114 0.000 1.034 164 S CB 1.869 65.117 63.200 0.080 0.000 1.010 164 S HN 1.106 nan 8.310 nan 0.000 0.482 165 G N 2.767 111.655 108.800 0.147 0.000 2.293 165 G HA2 0.182 4.143 3.960 0.001 0.000 0.282 165 G HA3 0.182 4.143 3.960 0.001 0.000 0.282 165 G C -2.081 172.913 174.900 0.156 0.000 1.299 165 G CA -0.869 44.301 45.100 0.116 0.000 1.018 165 G HN 0.567 nan 8.290 nan 0.000 0.478 166 E N -0.123 120.144 120.200 0.112 0.000 2.317 166 E HA 0.624 4.975 4.350 0.001 0.000 0.270 166 E C -0.802 175.852 176.600 0.091 0.000 0.885 166 E CA -1.041 55.414 56.400 0.091 0.000 0.760 166 E CB 2.204 31.964 29.700 0.101 0.000 1.227 166 E HN 0.296 nan 8.360 nan 0.000 0.434 167 K N 1.524 121.967 120.400 0.071 0.000 2.281 167 K HA 0.622 4.943 4.320 0.001 0.000 0.242 167 K C -0.962 175.608 176.600 -0.049 0.000 0.971 167 K CA -0.789 55.514 56.287 0.026 0.000 0.834 167 K CB 1.767 34.309 32.500 0.069 0.000 1.181 167 K HN 0.439 nan 8.250 nan 0.000 0.435 168 L N 0.979 122.125 121.223 -0.129 0.000 2.482 168 L HA 0.324 4.664 4.340 0.001 0.000 0.263 168 L C -0.798 175.959 176.870 -0.189 0.000 0.957 168 L CA -0.210 54.402 54.840 -0.380 0.000 0.836 168 L CB 1.325 42.953 42.059 -0.717 0.000 1.324 168 L HN 0.907 nan 8.230 nan 0.000 0.406 169 W N 0.302 121.553 121.300 -0.080 0.000 0.539 169 W HA -0.195 4.466 4.660 0.001 0.000 0.219 169 W C -1.856 174.642 176.519 -0.035 0.000 0.928 169 W CA -0.449 56.866 57.345 -0.050 0.000 0.336 169 W CB -1.961 27.480 29.460 -0.033 0.000 1.923 169 W HN 0.321 nan 8.180 nan 0.000 1.093 170 P HA 0.188 nan 4.420 nan 0.000 0.262 170 P C 0.155 177.478 177.300 0.038 0.000 1.199 170 P CA 0.832 63.995 63.100 0.104 0.000 0.763 170 P CB 0.820 32.564 31.700 0.074 0.000 0.790 171 S N 3.788 119.508 115.700 0.032 0.000 2.558 171 S HA 0.004 4.475 4.470 0.001 0.000 0.288 171 S C 0.975 175.524 174.600 -0.086 0.000 1.318 171 S CA 0.076 58.256 58.200 -0.033 0.000 1.056 171 S CB -0.321 62.885 63.200 0.009 0.000 0.853 171 S HN 0.534 nan 8.310 nan 0.000 0.505 172 N N 0.120 118.692 118.700 -0.213 0.000 2.936 172 N HA -0.222 4.519 4.740 0.001 0.000 0.236 172 N C 1.325 176.774 175.510 -0.101 0.000 0.930 172 N CA 1.393 54.315 53.050 -0.214 0.000 0.966 172 N CB -1.989 36.425 38.487 -0.121 0.000 1.090 172 N HN 0.749 nan 8.380 nan 0.000 0.592 173 S N -0.871 114.795 115.700 -0.056 0.000 2.370 173 S HA -0.069 4.401 4.470 0.001 0.000 0.226 173 S C 1.861 176.515 174.600 0.090 0.000 1.033 173 S CA 1.445 59.657 58.200 0.021 0.000 1.011 173 S CB -0.699 62.509 63.200 0.013 0.000 0.852 173 S HN 0.540 nan 8.310 nan 0.000 0.457 174 G N 0.570 109.429 108.800 0.100 0.000 3.181 174 G HA2 0.490 4.451 3.960 0.001 0.000 0.219 174 G HA3 0.490 4.451 3.960 0.001 0.000 0.219 174 G C 0.880 175.936 174.900 0.259 0.000 1.182 174 G CA 0.096 45.345 45.100 0.248 0.000 0.791 174 G HN 1.144 nan 8.290 nan 0.000 0.537 175 G N -0.603 108.262 108.800 0.108 0.000 2.641 175 G HA2 -0.328 3.633 3.960 0.001 0.000 0.254 175 G HA3 -0.328 3.633 3.960 0.001 0.000 0.254 175 G C 0.722 175.663 174.900 0.068 0.000 1.315 175 G CA 0.164 45.265 45.100 0.002 0.000 0.907 175 G HN 0.307 nan 8.290 nan 0.000 0.572 176 W N 0.267 121.677 121.300 0.182 0.000 2.465 176 W HA 0.201 4.862 4.660 0.001 0.000 0.268 176 W C 2.076 178.604 176.519 0.014 0.000 1.242 176 W CA 1.124 58.512 57.345 0.073 0.000 1.248 176 W CB 0.105 29.527 29.460 -0.062 0.000 1.118 176 W HN 0.701 nan 8.180 nan 0.000 0.587 177 D N -4.114 116.411 120.400 0.209 0.000 2.538 177 D HA -0.055 4.586 4.640 0.001 0.000 0.241 177 D C 0.166 176.541 176.300 0.126 0.000 1.297 177 D CA -0.557 53.494 54.000 0.085 0.000 0.804 177 D CB -0.883 39.991 40.800 0.124 0.000 1.122 177 D HN 0.083 nan 8.370 nan 0.000 0.519 178 Y N 0.532 120.925 120.300 0.155 0.000 4.841 178 Y HA -0.237 4.314 4.550 0.001 0.000 0.242 178 Y C 0.812 176.832 175.900 0.200 0.000 1.002 178 Y CA 0.143 58.331 58.100 0.146 0.000 2.011 178 Y CB -2.445 36.072 38.460 0.094 0.000 1.554 178 Y HN 0.240 nan 8.280 nan 0.000 0.618 179 K N 0.608 121.185 120.400 0.294 0.000 2.374 179 K HA 0.463 4.784 4.320 0.001 0.000 0.196 179 K C 1.146 177.797 176.600 0.085 0.000 1.023 179 K CA 0.646 57.041 56.287 0.179 0.000 1.103 179 K CB 0.471 33.050 32.500 0.132 0.000 0.848 179 K HN 0.433 nan 8.250 nan 0.000 0.528 180 G N 0.984 109.884 108.800 0.166 0.000 2.576 180 G HA2 0.056 4.016 3.960 0.001 0.000 0.686 180 G HA3 0.056 4.016 3.960 0.001 0.000 0.686 180 G C -0.800 174.170 174.900 0.116 0.000 1.242 180 G CA -0.712 44.453 45.100 0.108 0.000 0.819 180 G HN 0.196 nan 8.290 nan 0.000 0.655 181 A N 0.198 123.087 122.820 0.114 0.000 2.425 181 A HA 0.555 4.876 4.320 0.001 0.000 0.242 181 A C 1.228 178.895 177.584 0.138 0.000 1.077 181 A CA 1.107 53.205 52.037 0.102 0.000 0.781 181 A CB 0.118 19.177 19.000 0.099 0.000 1.020 181 A HN 0.850 nan 8.150 nan 0.000 0.494 182 D N -0.827 119.675 120.400 0.171 0.000 2.218 182 D HA 0.087 4.728 4.640 0.001 0.000 0.204 182 D C 0.031 176.499 176.300 0.279 0.000 0.976 182 D CA 1.350 55.461 54.000 0.186 0.000 0.853 182 D CB -0.035 40.823 40.800 0.095 0.000 0.939 182 D HN 0.261 nan 8.370 nan 0.000 0.481 183 L N -0.463 120.958 121.223 0.331 0.000 2.516 183 L HA 0.620 4.961 4.340 0.001 0.000 0.267 183 L C -1.801 175.146 176.870 0.128 0.000 0.957 183 L CA -0.921 54.071 54.840 0.254 0.000 0.860 183 L CB 1.683 43.932 42.059 0.318 0.000 1.265 183 L HN -0.148 nan 8.230 nan 0.000 0.403 184 A N 3.983 126.848 122.820 0.075 0.000 2.331 184 A HA 0.705 5.026 4.320 0.001 0.000 0.320 184 A C -0.795 176.769 177.584 -0.034 0.000 1.138 184 A CA -0.461 51.598 52.037 0.037 0.000 0.790 184 A CB 0.995 20.052 19.000 0.095 0.000 1.206 184 A HN 0.773 nan 8.150 nan 0.000 0.470 185 C N 3.064 122.323 119.300 -0.067 0.000 2.200 185 C HA 0.479 4.940 4.460 0.001 0.000 0.328 185 C C 0.365 175.308 174.990 -0.077 0.000 1.148 185 C CA -0.638 58.314 59.018 -0.109 0.000 1.624 185 C CB -0.748 26.909 27.740 -0.137 0.000 2.167 185 C HN 0.558 nan 8.230 nan 0.000 0.484 186 V N 5.271 125.125 119.914 -0.099 0.000 2.385 186 V HA 0.255 4.375 4.120 0.001 0.000 0.269 186 V C 0.233 176.253 176.094 -0.124 0.000 1.043 186 V CA -0.178 62.054 62.300 -0.114 0.000 0.906 186 V CB 1.001 32.688 31.823 -0.225 0.000 0.995 186 V HN 0.669 nan 8.190 nan 0.000 0.467 187 V N 4.460 124.337 119.914 -0.063 0.000 2.465 187 V HA 0.423 4.544 4.120 0.001 0.000 0.279 187 V C 0.130 176.200 176.094 -0.041 0.000 1.045 187 V CA -0.249 62.042 62.300 -0.014 0.000 0.938 187 V CB 1.118 33.010 31.823 0.114 0.000 0.986 187 V HN 0.989 nan 8.190 nan 0.000 0.467 188 C N 4.457 123.741 119.300 -0.027 0.000 2.797 188 C HA 0.604 5.065 4.460 0.001 0.000 0.306 188 C C 0.128 175.133 174.990 0.025 0.000 1.207 188 C CA -1.066 57.929 59.018 -0.039 0.000 1.507 188 C CB 1.924 29.598 27.740 -0.111 0.000 2.028 188 C HN 0.975 nan 8.230 nan 0.000 0.475 189 R N 1.368 121.893 120.500 0.042 0.000 2.254 189 R HA 0.586 4.927 4.340 0.001 0.000 0.318 189 R C -0.962 175.368 176.300 0.051 0.000 1.031 189 R CA -0.224 55.910 56.100 0.057 0.000 0.905 189 R CB 0.736 31.075 30.300 0.065 0.000 1.050 189 R HN 0.645 nan 8.270 nan 0.000 0.456 190 V N 3.765 123.715 119.914 0.060 0.000 2.479 190 V HA 0.126 4.246 4.120 0.001 0.000 0.281 190 V C 0.044 176.199 176.094 0.102 0.000 1.031 190 V CA 0.475 62.843 62.300 0.114 0.000 1.038 190 V CB 1.126 33.038 31.823 0.147 0.000 0.981 190 V HN 0.763 nan 8.190 nan 0.000 0.478 191 S N 3.124 118.892 115.700 0.113 0.000 2.750 191 S HA 0.263 4.733 4.470 0.001 0.000 0.276 191 S C 0.572 175.217 174.600 0.075 0.000 1.165 191 S CA -0.694 57.553 58.200 0.078 0.000 1.047 191 S CB 1.292 64.527 63.200 0.058 0.000 1.056 191 S HN 0.838 nan 8.310 nan 0.000 0.481 192 D N 2.128 122.561 120.400 0.055 0.000 2.117 192 D HA -0.074 4.566 4.640 0.001 0.000 0.197 192 D C 0.060 176.373 176.300 0.022 0.000 0.987 192 D CA 1.276 55.294 54.000 0.029 0.000 0.829 192 D CB 0.270 41.078 40.800 0.013 0.000 0.961 192 D HN 0.588 nan 8.370 nan 0.000 0.460 193 D N -0.816 119.599 120.400 0.025 0.000 2.462 193 D HA 0.128 4.768 4.640 0.001 0.000 0.245 193 D C -1.854 174.463 176.300 0.028 0.000 1.122 193 D CA -2.044 51.970 54.000 0.022 0.000 0.864 193 D CB 1.942 42.752 40.800 0.016 0.000 1.098 193 D HN -0.075 nan 8.370 nan 0.000 0.541 194 P HA -0.097 nan 4.420 nan 0.000 0.226 194 P C 1.085 178.403 177.300 0.029 0.000 1.153 194 P CA 0.562 63.683 63.100 0.035 0.000 0.777 194 P CB 0.222 31.946 31.700 0.040 0.000 0.794 195 S N -1.556 114.159 115.700 0.025 0.000 2.489 195 S HA 0.013 4.484 4.470 0.001 0.000 0.228 195 S C 1.038 175.649 174.600 0.018 0.000 0.995 195 S CA 0.158 58.371 58.200 0.021 0.000 0.934 195 S CB -0.551 62.660 63.200 0.018 0.000 0.771 195 S HN 0.038 nan 8.310 nan 0.000 0.522 196 K N 2.438 122.849 120.400 0.019 0.000 2.144 196 K HA 0.442 4.763 4.320 0.001 0.000 0.270 196 K C -2.762 173.848 176.600 0.018 0.000 1.005 196 K CA -2.014 54.282 56.287 0.016 0.000 0.932 196 K CB 0.550 33.059 32.500 0.015 0.000 1.021 196 K HN 0.171 nan 8.250 nan 0.000 0.462 197 P HA 0.013 nan 4.420 nan 0.000 0.274 197 P C -0.714 176.595 177.300 0.015 0.000 1.237 197 P CA -0.467 62.642 63.100 0.015 0.000 0.793 197 P CB 0.447 32.154 31.700 0.012 0.000 0.977 198 Q N 1.316 121.126 119.800 0.016 0.000 2.286 198 Q HA -0.053 4.288 4.340 0.001 0.000 0.290 198 Q C -0.054 175.950 176.000 0.007 0.000 1.049 198 Q CA -0.022 55.789 55.803 0.013 0.000 0.923 198 Q CB 0.142 28.887 28.738 0.012 0.000 1.183 198 Q HN 0.329 nan 8.270 nan 0.000 0.383 199 D N 6.072 126.476 120.400 0.006 0.000 2.412 199 D HA 0.007 4.648 4.640 0.001 0.000 0.257 199 D C -1.614 174.684 176.300 -0.003 0.000 1.217 199 D CA -1.721 52.280 54.000 0.002 0.000 0.897 199 D CB 1.168 41.970 40.800 0.004 0.000 1.132 199 D HN 0.441 nan 8.370 nan 0.000 0.493 200 P HA -0.092 nan 4.420 nan 0.000 0.228 200 P C 0.626 177.919 177.300 -0.011 0.000 1.151 200 P CA 0.659 63.755 63.100 -0.008 0.000 0.770 200 P CB 0.417 32.114 31.700 -0.006 0.000 0.786 201 N N -0.437 118.258 118.700 -0.009 0.000 2.373 201 N HA 0.042 4.783 4.740 0.001 0.000 0.181 201 N C 0.160 175.662 175.510 -0.013 0.000 1.082 201 N CA 0.086 53.130 53.050 -0.010 0.000 0.885 201 N CB 0.964 39.447 38.487 -0.006 0.000 0.977 201 N HN 0.055 nan 8.380 nan 0.000 0.462 202 V N 1.432 121.338 119.914 -0.014 0.000 2.435 202 V HA 0.183 4.303 4.120 0.001 0.000 0.290 202 V C -0.823 175.254 176.094 -0.029 0.000 1.030 202 V CA -0.707 61.583 62.300 -0.017 0.000 0.881 202 V CB 1.632 33.450 31.823 -0.010 0.000 0.983 202 V HN 0.005 nan 8.190 nan 0.000 0.445 203 D N 7.747 128.125 120.400 -0.036 0.000 2.451 203 D HA 0.182 4.823 4.640 0.001 0.000 0.254 203 D C -1.573 174.684 176.300 -0.072 0.000 1.204 203 D CA -1.028 52.939 54.000 -0.056 0.000 0.896 203 D CB 1.696 42.462 40.800 -0.056 0.000 1.136 203 D HN 0.405 nan 8.370 nan 0.000 0.499 204 P HA -0.203 nan 4.420 nan 0.000 0.217 204 P C 0.864 178.071 177.300 -0.155 0.000 1.148 204 P CA 1.668 64.697 63.100 -0.119 0.000 0.834 204 P CB 0.105 31.708 31.700 -0.162 0.000 0.783 205 A N -0.568 122.140 122.820 -0.186 0.000 2.015 205 A HA -0.157 4.164 4.320 0.001 0.000 0.219 205 A C 2.149 179.671 177.584 -0.103 0.000 1.163 205 A CA 2.109 54.030 52.037 -0.194 0.000 0.646 205 A CB -1.885 17.003 19.000 -0.186 0.000 0.806 205 A HN 0.354 nan 8.150 nan 0.000 0.448 206 T N -3.341 111.170 114.554 -0.072 0.000 3.051 206 T HA -0.050 4.301 4.350 0.001 0.000 0.269 206 T C 1.196 175.886 174.700 -0.018 0.000 1.127 206 T CA 1.261 63.339 62.100 -0.037 0.000 1.107 206 T CB -0.109 68.744 68.868 -0.025 0.000 0.898 206 T HN 0.372 nan 8.240 nan 0.000 0.517 207 Q N 0.174 119.961 119.800 -0.022 0.000 2.194 207 Q HA 0.367 4.708 4.340 0.001 0.000 0.214 207 Q C -0.057 175.950 176.000 0.013 0.000 0.838 207 Q CA -0.229 55.578 55.803 0.006 0.000 0.972 207 Q CB 0.484 29.229 28.738 0.013 0.000 1.131 207 Q HN 0.485 nan 8.270 nan 0.000 0.498 208 I N 1.213 121.787 120.570 0.006 0.000 2.519 208 I HA 0.428 4.599 4.170 0.001 0.000 0.287 208 I C 0.253 176.363 176.117 -0.012 0.000 1.047 208 I CA -0.629 60.698 61.300 0.044 0.000 1.381 208 I CB 0.729 38.793 38.000 0.106 0.000 1.417 208 I HN -0.100 nan 8.210 nan 0.000 0.540 209 A N 6.151 128.939 122.820 -0.054 0.000 2.515 209 A HA 0.772 5.092 4.320 0.001 0.000 0.298 209 A C -1.207 176.274 177.584 -0.173 0.000 1.059 209 A CA -0.505 51.425 52.037 -0.178 0.000 0.698 209 A CB 1.746 20.528 19.000 -0.364 0.000 1.289 209 A HN 0.352 nan 8.150 nan 0.000 0.404 210 V N 2.431 122.221 119.914 -0.206 0.000 2.448 210 V HA 0.506 4.627 4.120 0.001 0.000 0.295 210 V C -0.548 175.385 176.094 -0.268 0.000 1.025 210 V CA -0.257 61.930 62.300 -0.188 0.000 0.859 210 V CB 1.245 32.988 31.823 -0.135 0.000 0.988 210 V HN 0.744 nan 8.190 nan 0.000 0.431 211 L N 5.446 126.512 121.223 -0.261 0.000 2.341 211 L HA 0.583 4.923 4.340 0.001 0.000 0.278 211 L C -0.613 176.133 176.870 -0.207 0.000 1.005 211 L CA -0.493 54.188 54.840 -0.264 0.000 0.818 211 L CB 1.904 43.809 42.059 -0.258 0.000 1.259 211 L HN 0.437 nan 8.230 nan 0.000 0.418 212 L N 4.280 125.357 121.223 -0.242 0.000 2.265 212 L HA 0.483 4.823 4.340 0.001 0.000 0.288 212 L C -0.626 176.176 176.870 -0.113 0.000 1.058 212 L CA -0.586 54.082 54.840 -0.287 0.000 0.809 212 L CB 1.341 42.991 42.059 -0.681 0.000 1.179 212 L HN 0.272 nan 8.230 nan 0.000 0.429 213 V N 2.214 122.120 119.914 -0.012 0.000 2.444 213 V HA 0.486 4.607 4.120 0.001 0.000 0.294 213 V C 0.293 176.472 176.094 0.142 0.000 1.022 213 V CA -0.469 61.911 62.300 0.133 0.000 0.850 213 V CB 2.002 33.943 31.823 0.198 0.000 0.992 213 V HN 0.908 nan 8.190 nan 0.000 0.426 214 T N 1.742 116.405 114.554 0.182 0.000 2.927 214 T HA 0.476 4.827 4.350 0.001 0.000 0.286 214 T C 0.977 175.754 174.700 0.128 0.000 1.040 214 T CA -0.735 61.472 62.100 0.177 0.000 1.010 214 T CB 1.646 70.654 68.868 0.234 0.000 1.177 214 T HN 0.428 nan 8.240 nan 0.000 0.546 215 R N -0.019 120.544 120.500 0.105 0.000 2.152 215 R HA -0.058 4.282 4.340 0.001 0.000 0.232 215 R C 2.353 178.692 176.300 0.065 0.000 1.117 215 R CA 1.420 57.559 56.100 0.065 0.000 0.981 215 R CB -0.202 30.142 30.300 0.074 0.000 0.870 215 R HN 0.785 nan 8.270 nan 0.000 0.451 216 E N 0.115 120.366 120.200 0.085 0.000 2.028 216 E HA -0.154 4.197 4.350 0.001 0.000 0.191 216 E C 1.471 178.113 176.600 0.070 0.000 0.988 216 E CA 1.812 58.256 56.400 0.072 0.000 0.799 216 E CB 0.129 29.877 29.700 0.080 0.000 0.755 216 E HN 0.267 nan 8.360 nan 0.000 0.447 217 T N 1.592 116.208 114.554 0.104 0.000 2.653 217 T HA -0.217 4.134 4.350 0.001 0.000 0.268 217 T C 1.968 176.708 174.700 0.067 0.000 1.035 217 T CA 1.698 63.854 62.100 0.093 0.000 1.154 217 T CB -0.359 68.631 68.868 0.203 0.000 0.862 217 T HN 0.185 nan 8.240 nan 0.000 0.441 218 I N 1.417 122.077 120.570 0.150 0.000 2.252 218 I HA -0.143 4.028 4.170 0.001 0.000 0.245 218 I C 2.962 179.120 176.117 0.067 0.000 1.102 218 I CA 1.119 62.499 61.300 0.133 0.000 1.385 218 I CB -0.488 37.416 38.000 -0.160 0.000 1.064 218 I HN 0.224 nan 8.210 nan 0.000 0.414 219 A N 0.721 123.566 122.820 0.041 0.000 1.972 219 A HA -0.161 4.160 4.320 0.001 0.000 0.219 219 A C 1.784 179.381 177.584 0.021 0.000 1.169 219 A CA 1.575 53.634 52.037 0.037 0.000 0.635 219 A CB -0.546 18.476 19.000 0.035 0.000 0.810 219 A HN 0.410 nan 8.150 nan 0.000 0.446 220 N N 0.807 119.507 118.700 0.001 0.000 2.449 220 N HA 0.027 4.768 4.740 0.001 0.000 0.191 220 N C -0.313 175.159 175.510 -0.063 0.000 1.161 220 N CA 0.228 53.262 53.050 -0.028 0.000 0.863 220 N CB -0.156 38.313 38.487 -0.030 0.000 0.980 220 N HN 0.476 nan 8.380 nan 0.000 0.458 221 N N 0.544 119.215 118.700 -0.048 0.000 2.362 221 N HA 0.213 4.954 4.740 0.001 0.000 0.299 221 N C -0.334 175.205 175.510 0.049 0.000 1.170 221 N CA -0.496 52.530 53.050 -0.040 0.000 0.825 221 N CB 1.930 40.349 38.487 -0.113 0.000 1.299 221 N HN -0.113 nan 8.380 nan 0.000 0.502 222 K N 1.105 121.545 120.400 0.067 0.000 2.469 222 K HA -0.011 4.309 4.320 0.001 0.000 0.274 222 K C 1.280 177.955 176.600 0.126 0.000 0.983 222 K CA -0.103 56.233 56.287 0.083 0.000 0.974 222 K CB 0.937 33.484 32.500 0.080 0.000 0.913 222 K HN 0.322 nan 8.250 nan 0.000 0.493 223 K N 2.158 122.620 120.400 0.102 0.000 2.113 223 K HA -0.205 4.116 4.320 0.001 0.000 0.208 223 K C 1.043 177.719 176.600 0.126 0.000 1.047 223 K CA 2.119 58.475 56.287 0.115 0.000 0.928 223 K CB -0.108 32.441 32.500 0.082 0.000 0.716 223 K HN 0.769 nan 8.250 nan 0.000 0.446 224 D N -0.992 119.471 120.400 0.105 0.000 2.349 224 D HA -0.008 4.632 4.640 0.001 0.000 0.224 224 D C 1.269 177.641 176.300 0.121 0.000 1.029 224 D CA 0.584 54.634 54.000 0.084 0.000 0.879 224 D CB 0.088 40.921 40.800 0.055 0.000 0.906 224 D HN 0.068 nan 8.370 nan 0.000 0.528 225 A N -0.680 122.268 122.820 0.213 0.000 2.067 225 A HA 0.044 4.364 4.320 0.001 0.000 0.217 225 A C 0.247 178.065 177.584 0.390 0.000 1.156 225 A CA 0.371 52.610 52.037 0.336 0.000 0.683 225 A CB -0.459 18.801 19.000 0.434 0.000 0.808 225 A HN 0.378 nan 8.150 nan 0.000 0.455 226 Y N 0.181 120.543 120.300 0.103 0.000 2.333 226 Y HA 0.516 5.067 4.550 0.001 0.000 0.324 226 Y C -0.821 174.971 175.900 -0.180 0.000 1.033 226 Y CA -0.671 57.339 58.100 -0.150 0.000 1.224 226 Y CB 0.824 39.252 38.460 -0.054 0.000 1.120 226 Y HN 0.251 nan 8.280 nan 0.000 0.457 227 Q N 5.783 125.274 119.800 -0.516 0.000 2.375 227 Q HA 0.533 4.874 4.340 0.001 0.000 0.271 227 Q C -1.267 174.357 176.000 -0.626 0.000 1.074 227 Q CA -1.148 54.403 55.803 -0.420 0.000 0.808 227 Q CB 2.694 31.265 28.738 -0.278 0.000 1.327 227 Q HN 0.532 nan 8.270 nan 0.000 0.441 228 I N 3.842 124.091 120.570 -0.536 0.000 2.297 228 I HA 0.087 4.258 4.170 0.001 0.000 0.291 228 I C 0.783 176.627 176.117 -0.455 0.000 1.033 228 I CA 0.187 61.115 61.300 -0.620 0.000 1.253 228 I CB 0.711 38.155 38.000 -0.928 0.000 1.396 228 I HN 0.737 nan 8.210 nan 0.000 0.476 229 L N 5.254 126.204 121.223 -0.455 0.000 2.307 229 L HA 0.297 4.637 4.340 0.001 0.000 0.211 229 L C 1.076 177.807 176.870 -0.231 0.000 1.099 229 L CA 0.255 54.869 54.840 -0.375 0.000 0.816 229 L CB -0.061 41.630 42.059 -0.612 0.000 0.952 229 L HN 0.779 nan 8.230 nan 0.000 0.455 230 G N -0.329 108.344 108.800 -0.210 0.000 2.356 230 G HA2 0.362 4.323 3.960 0.001 0.000 0.294 230 G HA3 0.362 4.323 3.960 0.001 0.000 0.294 230 G C -1.933 172.892 174.900 -0.125 0.000 1.423 230 G CA -0.455 44.574 45.100 -0.118 0.000 0.806 230 G HN -0.134 nan 8.290 nan 0.000 0.527 231 E N 0.591 120.753 120.200 -0.063 0.000 2.279 231 E HA 0.610 4.961 4.350 0.001 0.000 0.252 231 E C -2.467 174.096 176.600 -0.062 0.000 0.894 231 E CA -1.556 54.817 56.400 -0.045 0.000 0.785 231 E CB 1.595 31.343 29.700 0.079 0.000 1.237 231 E HN 0.287 nan 8.360 nan 0.000 0.418 232 P HA -0.011 nan 4.420 nan 0.000 0.262 232 P C -0.815 176.476 177.300 -0.015 0.000 1.182 232 P CA 0.241 63.274 63.100 -0.112 0.000 0.761 232 P CB 0.518 32.086 31.700 -0.220 0.000 0.795 233 E N 3.224 123.427 120.200 0.006 0.000 2.105 233 E HA 0.193 4.544 4.350 0.001 0.000 0.285 233 E C -0.001 176.629 176.600 0.051 0.000 1.055 233 E CA -0.182 56.235 56.400 0.029 0.000 0.843 233 E CB 0.516 30.230 29.700 0.022 0.000 1.067 233 E HN 0.395 nan 8.360 nan 0.000 0.398 234 L N 1.334 122.594 121.223 0.062 0.000 2.379 234 L HA 0.311 4.652 4.340 0.001 0.000 0.269 234 L C 1.621 178.514 176.870 0.038 0.000 1.084 234 L CA -0.545 54.342 54.840 0.078 0.000 0.802 234 L CB 1.059 43.180 42.059 0.103 0.000 1.175 234 L HN 0.511 nan 8.230 nan 0.000 0.448 235 A N 2.276 125.112 122.820 0.026 0.000 1.883 235 A HA 0.083 4.403 4.320 0.001 0.000 0.217 235 A C 0.997 178.562 177.584 -0.031 0.000 1.186 235 A CA 1.743 53.776 52.037 -0.006 0.000 0.624 235 A CB -0.556 18.432 19.000 -0.019 0.000 0.822 235 A HN 0.847 nan 8.150 nan 0.000 0.444 236 G N -4.938 103.841 108.800 -0.035 0.000 2.798 236 G HA2 0.484 4.444 3.960 0.001 0.000 0.286 236 G HA3 0.484 4.444 3.960 0.001 0.000 0.286 236 G C -0.492 174.395 174.900 -0.022 0.000 1.389 236 G CA -0.075 44.964 45.100 -0.103 0.000 0.894 236 G HN 0.465 nan 8.290 nan 0.000 0.488 237 H N -0.849 118.175 119.070 -0.076 0.000 2.756 237 H HA -0.169 4.388 4.556 0.001 0.000 0.315 237 H C 1.574 176.867 175.328 -0.057 0.000 1.210 237 H CA 1.022 57.039 56.048 -0.051 0.000 1.150 237 H CB -1.354 28.396 29.762 -0.020 0.000 1.463 237 H HN 0.707 nan 8.280 nan 0.000 0.427 238 I N -1.987 118.557 120.570 -0.042 0.000 3.176 238 I HA -0.056 4.115 4.170 0.001 0.000 0.275 238 I C 1.830 177.913 176.117 -0.057 0.000 1.298 238 I CA 1.532 62.809 61.300 -0.038 0.000 1.445 238 I CB 0.050 38.022 38.000 -0.046 0.000 1.075 238 I HN 0.248 nan 8.210 nan 0.000 0.482 239 T N -2.959 111.530 114.554 -0.108 0.000 3.134 239 T HA 0.179 4.529 4.350 0.001 0.000 0.260 239 T C 0.672 175.465 174.700 0.156 0.000 1.027 239 T CA -0.201 61.868 62.100 -0.051 0.000 0.913 239 T CB -0.283 68.413 68.868 -0.287 0.000 1.046 239 T HN 0.281 nan 8.240 nan 0.000 0.553 240 T N 1.279 115.877 114.554 0.074 0.000 2.881 240 T HA 0.591 4.941 4.350 0.001 0.000 0.278 240 T C -0.671 173.862 174.700 -0.278 0.000 0.982 240 T CA -0.421 61.657 62.100 -0.037 0.000 0.989 240 T CB 1.392 70.271 68.868 0.018 0.000 1.058 240 T HN 0.288 nan 8.240 nan 0.000 0.529 241 S N 0.011 115.304 115.700 -0.680 0.000 2.532 241 S HA 0.710 5.181 4.470 0.001 0.000 0.299 241 S C -0.343 174.047 174.600 -0.349 0.000 1.105 241 S CA -0.294 57.541 58.200 -0.608 0.000 1.018 241 S CB 1.112 63.625 63.200 -1.145 0.000 1.021 241 S HN 1.017 nan 8.310 nan 0.000 0.483 242 G N 5.028 113.731 108.800 -0.162 0.000 4.101 242 G HA2 0.364 4.325 3.960 0.001 0.000 0.262 242 G HA3 0.364 4.325 3.960 0.001 0.000 0.262 242 G C -3.158 171.672 174.900 -0.115 0.000 1.181 242 G CA -0.760 44.294 45.100 -0.077 0.000 0.640 242 G HN 0.527 nan 8.290 nan 0.000 0.467 243 P HA 0.127 nan 4.420 nan 0.000 0.277 243 P C -0.690 176.476 177.300 -0.224 0.000 1.276 243 P CA -0.298 62.680 63.100 -0.203 0.000 0.788 243 P CB 1.071 32.606 31.700 -0.275 0.000 1.114 244 H N -0.598 118.253 119.070 -0.364 0.000 2.604 244 H HA 0.306 4.863 4.556 0.001 0.000 0.306 244 H C -0.658 174.427 175.328 -0.406 0.000 1.075 244 H CA -0.312 55.520 56.048 -0.360 0.000 1.357 244 H CB 0.213 29.780 29.762 -0.324 0.000 1.426 244 H HN 0.212 nan 8.280 nan 0.000 0.470 245 T N 6.335 120.748 114.554 -0.236 0.000 2.812 245 T HA 0.234 4.585 4.350 0.001 0.000 0.282 245 T C -0.315 174.063 174.700 -0.538 0.000 0.990 245 T CA -0.766 61.000 62.100 -0.557 0.000 0.960 245 T CB 1.333 69.793 68.868 -0.680 0.000 0.948 245 T HN 0.580 nan 8.240 nan 0.000 0.438 246 R N 2.632 122.751 120.500 -0.633 0.000 2.295 246 R HA 0.484 4.825 4.340 0.001 0.000 0.324 246 R C -1.294 174.694 176.300 -0.519 0.000 0.968 246 R CA -0.633 55.203 56.100 -0.440 0.000 0.837 246 R CB 0.423 30.531 30.300 -0.320 0.000 1.133 246 R HN 0.456 nan 8.270 nan 0.000 0.450 247 F N 2.474 122.328 119.950 -0.160 0.000 2.411 247 F HA 0.272 4.800 4.527 0.001 0.000 0.355 247 F C 0.266 176.080 175.800 0.023 0.000 1.117 247 F CA -0.104 57.855 58.000 -0.068 0.000 1.139 247 F CB 2.047 41.006 39.000 -0.069 0.000 1.120 247 F HN 0.309 nan 8.300 nan 0.000 0.493 248 T N 3.699 118.398 114.554 0.243 0.000 2.833 248 T HA 0.221 4.571 4.350 0.001 0.000 0.297 248 T C -0.446 174.399 174.700 0.241 0.000 1.015 248 T CA -0.808 61.405 62.100 0.188 0.000 0.963 248 T CB 1.037 69.970 68.868 0.109 0.000 0.955 248 T HN 0.482 nan 8.240 nan 0.000 0.449 249 E N 1.196 121.512 120.200 0.192 0.000 2.228 249 E HA -0.213 4.138 4.350 0.001 0.000 0.213 249 E C -0.639 176.094 176.600 0.221 0.000 1.282 249 E CA 0.404 56.891 56.400 0.146 0.000 0.707 249 E CB -1.177 28.615 29.700 0.154 0.000 1.150 249 E HN 0.720 nan 8.360 nan 0.000 0.362 250 F N 1.763 121.786 119.950 0.121 0.000 2.404 250 F HA 0.171 4.698 4.527 0.001 0.000 0.358 250 F C 0.920 176.773 175.800 0.089 0.000 1.120 250 F CA -0.477 57.650 58.000 0.212 0.000 1.144 250 F CB 0.522 39.759 39.000 0.394 0.000 1.133 250 F HN -0.008 nan 8.300 nan 0.000 0.495 251 H N 5.583 124.478 119.070 -0.292 0.000 2.527 251 H HA 0.495 5.052 4.556 0.001 0.000 0.321 251 H C -0.748 174.458 175.328 -0.204 0.000 1.087 251 H CA -0.527 55.430 56.048 -0.151 0.000 1.337 251 H CB 1.761 31.454 29.762 -0.115 0.000 1.440 251 H HN 0.339 nan 8.280 nan 0.000 0.490 252 V N 5.634 125.621 119.914 0.122 0.000 2.638 252 V HA 0.202 4.323 4.120 0.001 0.000 0.306 252 V C -2.253 173.981 176.094 0.233 0.000 1.052 252 V CA -2.083 60.313 62.300 0.160 0.000 0.885 252 V CB 2.068 34.014 31.823 0.207 0.000 0.999 252 V HN 0.642 nan 8.190 nan 0.000 0.424 253 P HA 0.057 nan 4.420 nan 0.000 0.266 253 P C 0.507 177.998 177.300 0.318 0.000 1.195 253 P CA 0.224 63.456 63.100 0.220 0.000 0.768 253 P CB 0.464 32.265 31.700 0.170 0.000 0.838 254 H N 2.374 121.595 119.070 0.252 0.000 2.457 254 H HA -0.170 4.386 4.556 0.001 0.000 0.297 254 H C 1.205 176.673 175.328 0.233 0.000 1.092 254 H CA 1.963 58.211 56.048 0.332 0.000 1.309 254 H CB 0.005 29.895 29.762 0.214 0.000 1.382 254 H HN 0.451 nan 8.280 nan 0.000 0.535 255 E N 0.012 120.309 120.200 0.161 0.000 2.160 255 E HA -0.147 4.203 4.350 0.001 0.000 0.195 255 E C 1.482 178.134 176.600 0.087 0.000 0.991 255 E CA 1.341 57.801 56.400 0.101 0.000 0.810 255 E CB -0.155 29.631 29.700 0.144 0.000 0.742 255 E HN 0.626 nan 8.360 nan 0.000 0.466 256 N N 0.374 119.134 118.700 0.100 0.000 2.521 256 N HA -0.014 4.727 4.740 0.001 0.000 0.188 256 N C -0.244 175.182 175.510 -0.139 0.000 1.146 256 N CA -0.335 52.729 53.050 0.023 0.000 0.893 256 N CB 0.122 38.648 38.487 0.064 0.000 0.975 256 N HN 0.073 nan 8.380 nan 0.000 0.451 257 L N 1.778 122.899 121.223 -0.171 0.000 2.455 257 L HA -0.000 4.340 4.340 0.001 0.000 0.272 257 L C 1.104 177.841 176.870 -0.222 0.000 1.174 257 L CA 0.228 54.897 54.840 -0.285 0.000 0.869 257 L CB 0.774 42.618 42.059 -0.358 0.000 1.130 257 L HN -0.014 nan 8.230 nan 0.000 0.474 258 L N 6.063 127.148 121.223 -0.230 0.000 2.072 258 L HA 0.079 4.420 4.340 0.001 0.000 0.205 258 L C 0.710 177.505 176.870 -0.126 0.000 1.079 258 L CA 1.585 56.318 54.840 -0.179 0.000 0.752 258 L CB -0.066 41.882 42.059 -0.185 0.000 0.906 258 L HN 0.921 nan 8.230 nan 0.000 0.436 259 C N -5.084 114.139 119.300 -0.128 0.000 3.272 259 C HA 0.511 4.972 4.460 0.001 0.000 0.363 259 C C 0.175 175.122 174.990 -0.071 0.000 1.514 259 C CA -0.639 58.329 59.018 -0.083 0.000 1.185 259 C CB 0.521 28.218 27.740 -0.071 0.000 1.716 259 C HN 0.208 nan 8.230 nan 0.000 0.440 260 T N 3.192 117.728 114.554 -0.030 0.000 2.867 260 T HA 0.353 4.704 4.350 0.001 0.000 0.297 260 T C -2.379 172.311 174.700 -0.017 0.000 0.989 260 T CA 0.419 62.521 62.100 0.003 0.000 1.159 260 T CB -0.277 68.602 68.868 0.018 0.000 0.928 260 T HN 0.687 nan 8.240 nan 0.000 0.538 261 P HA 0.345 nan 4.420 nan 0.000 0.267 261 P C 0.833 178.131 177.300 -0.002 0.000 1.201 261 P CA 0.838 63.925 63.100 -0.021 0.000 0.775 261 P CB 0.278 31.988 31.700 0.016 0.000 0.854 262 G N 0.268 109.061 108.800 -0.012 0.000 2.378 262 G HA2 -0.196 3.765 3.960 0.001 0.000 0.198 262 G HA3 -0.196 3.765 3.960 0.001 0.000 0.198 262 G C 0.560 175.444 174.900 -0.027 0.000 1.223 262 G CA -0.272 44.819 45.100 -0.016 0.000 1.088 262 G HN 0.407 nan 8.290 nan 0.000 0.530 263 L N 0.591 121.795 121.223 -0.033 0.000 2.127 263 L HA -0.060 4.281 4.340 0.001 0.000 0.211 263 L C 2.925 179.768 176.870 -0.046 0.000 1.089 263 L CA 2.097 56.912 54.840 -0.043 0.000 0.757 263 L CB -0.411 41.623 42.059 -0.041 0.000 0.899 263 L HN 0.633 nan 8.230 nan 0.000 0.434 264 K N 0.562 120.936 120.400 -0.043 0.000 2.025 264 K HA -0.163 4.157 4.320 0.001 0.000 0.207 264 K C 2.211 178.779 176.600 -0.053 0.000 1.049 264 K CA 1.345 57.599 56.287 -0.054 0.000 0.933 264 K CB -0.053 32.420 32.500 -0.045 0.000 0.714 264 K HN 0.276 nan 8.250 nan 0.000 0.438 265 A N 1.085 123.882 122.820 -0.038 0.000 1.898 265 A HA -0.171 4.149 4.320 0.001 0.000 0.216 265 A C 2.116 179.715 177.584 0.026 0.000 1.181 265 A CA 1.147 53.169 52.037 -0.026 0.000 0.620 265 A CB -0.528 18.452 19.000 -0.034 0.000 0.819 265 A HN 0.364 nan 8.150 nan 0.000 0.442 266 Q N 0.050 119.873 119.800 0.039 0.000 2.050 266 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 266 Q C 2.135 178.176 176.000 0.069 0.000 0.980 266 Q CA 2.066 57.928 55.803 0.099 0.000 0.840 266 Q CB -0.908 27.823 28.738 -0.012 0.000 0.898 266 Q HN 0.556 nan 8.270 nan 0.000 0.424 267 G N 1.008 109.793 108.800 -0.025 0.000 2.442 267 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 267 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 267 G C 1.601 176.420 174.900 -0.135 0.000 1.141 267 G CA 0.829 45.864 45.100 -0.108 0.000 0.763 267 G HN 0.360 nan 8.290 nan 0.000 0.554 268 L N 0.031 121.199 121.223 -0.092 0.000 2.109 268 L HA -0.044 4.296 4.340 0.001 0.000 0.207 268 L C 2.976 179.806 176.870 -0.066 0.000 1.086 268 L CA 0.331 55.109 54.840 -0.103 0.000 0.760 268 L CB -0.452 41.551 42.059 -0.094 0.000 0.910 268 L HN 0.095 nan 8.230 nan 0.000 0.437 269 V N -0.056 119.866 119.914 0.014 0.000 2.307 269 V HA -0.291 3.830 4.120 0.001 0.000 0.245 269 V C 2.476 178.659 176.094 0.149 0.000 1.045 269 V CA 1.938 64.274 62.300 0.059 0.000 1.024 269 V CB -0.432 31.493 31.823 0.170 0.000 0.651 269 V HN 0.483 nan 8.190 nan 0.000 0.449 270 E N 0.027 120.345 120.200 0.196 0.000 2.070 270 E HA -0.253 4.097 4.350 0.001 0.000 0.197 270 E C 2.223 178.979 176.600 0.260 0.000 1.004 270 E CA 2.143 58.697 56.400 0.257 0.000 0.805 270 E CB -0.151 29.687 29.700 0.230 0.000 0.744 270 E HN 0.651 nan 8.360 nan 0.000 0.451 271 T N 0.727 115.317 114.554 0.061 0.000 2.708 271 T HA -0.146 4.204 4.350 0.001 0.000 0.266 271 T C 1.888 176.643 174.700 0.092 0.000 1.037 271 T CA 1.348 63.457 62.100 0.015 0.000 1.146 271 T CB -0.400 68.260 68.868 -0.347 0.000 0.865 271 T HN 0.348 nan 8.240 nan 0.000 0.435 272 A N 1.032 123.833 122.820 -0.032 0.000 1.873 272 A HA -0.072 4.248 4.320 0.001 0.000 0.218 272 A C 2.062 179.568 177.584 -0.130 0.000 1.193 272 A CA 1.568 53.524 52.037 -0.136 0.000 0.629 272 A CB -1.205 17.625 19.000 -0.283 0.000 0.826 272 A HN 0.507 nan 8.150 nan 0.000 0.447 273 F N -0.070 119.852 119.950 -0.047 0.000 2.234 273 F HA -0.092 4.435 4.527 0.001 0.000 0.299 273 F C 2.759 178.549 175.800 -0.016 0.000 1.087 273 F CA 0.749 58.704 58.000 -0.074 0.000 1.340 273 F CB -0.097 38.827 39.000 -0.127 0.000 1.031 273 F HN 0.293 nan 8.300 nan 0.000 0.500 274 A N 0.108 123.080 122.820 0.254 0.000 1.877 274 A HA -0.222 4.099 4.320 0.001 0.000 0.216 274 A C 2.190 179.848 177.584 0.125 0.000 1.186 274 A CA 1.647 53.800 52.037 0.194 0.000 0.620 274 A CB -0.705 18.480 19.000 0.309 0.000 0.822 274 A HN 0.339 nan 8.150 nan 0.000 0.443 275 M N 0.480 120.159 119.600 0.132 0.000 2.117 275 M HA -0.162 4.318 4.480 0.001 0.000 0.262 275 M C 2.451 178.765 176.300 0.023 0.000 1.065 275 M CA 1.918 57.261 55.300 0.071 0.000 1.114 275 M CB -0.476 32.154 32.600 0.050 0.000 1.361 275 M HN 0.644 nan 8.290 nan 0.000 0.408 276 S N 0.420 116.119 115.700 -0.002 0.000 2.428 276 S HA 0.012 4.482 4.470 0.001 0.000 0.230 276 S C 2.029 176.614 174.600 -0.024 0.000 1.014 276 S CA 0.775 58.952 58.200 -0.038 0.000 0.957 276 S CB -0.491 62.653 63.200 -0.093 0.000 0.784 276 S HN 0.431 nan 8.310 nan 0.000 0.499 277 A N 2.021 124.851 122.820 0.017 0.000 1.898 277 A HA 0.331 4.651 4.320 0.001 0.000 0.216 277 A C 2.525 180.112 177.584 0.005 0.000 1.181 277 A CA 1.613 53.654 52.037 0.007 0.000 0.620 277 A CB -1.412 17.601 19.000 0.022 0.000 0.819 277 A HN 0.832 nan 8.150 nan 0.000 0.442 278 A N -0.294 122.535 122.820 0.015 0.000 1.873 278 A HA 0.031 4.352 4.320 0.001 0.000 0.215 278 A C 2.126 179.725 177.584 0.024 0.000 1.186 278 A CA 1.372 53.425 52.037 0.026 0.000 0.616 278 A CB -0.569 18.451 19.000 0.034 0.000 0.823 278 A HN 0.448 nan 8.150 nan 0.000 0.442 279 L N -0.553 120.676 121.223 0.009 0.000 2.201 279 L HA -0.108 4.233 4.340 0.001 0.000 0.212 279 L C 2.422 179.260 176.870 -0.053 0.000 1.105 279 L CA 0.523 55.362 54.840 -0.001 0.000 0.775 279 L CB -0.441 41.616 42.059 -0.003 0.000 0.913 279 L HN 0.235 nan 8.230 nan 0.000 0.440 280 V N 0.559 120.430 119.914 -0.071 0.000 2.392 280 V HA -0.250 3.871 4.120 0.001 0.000 0.249 280 V C 2.617 178.611 176.094 -0.167 0.000 1.059 280 V CA 2.011 64.242 62.300 -0.114 0.000 1.051 280 V CB -0.992 30.803 31.823 -0.046 0.000 0.658 280 V HN 0.597 nan 8.190 nan 0.000 0.455 281 G N -0.436 108.314 108.800 -0.083 0.000 2.503 281 G HA2 -0.311 3.650 3.960 0.001 0.000 0.221 281 G HA3 -0.311 3.650 3.960 0.001 0.000 0.221 281 G C 1.720 176.557 174.900 -0.104 0.000 1.131 281 G CA 1.184 46.240 45.100 -0.073 0.000 0.756 281 G HN 0.650 nan 8.290 nan 0.000 0.572 282 A N 0.287 123.060 122.820 -0.078 0.000 1.929 282 A HA 0.145 4.466 4.320 0.001 0.000 0.216 282 A C 2.461 179.951 177.584 -0.156 0.000 1.176 282 A CA 1.666 53.678 52.037 -0.040 0.000 0.628 282 A CB -0.273 18.757 19.000 0.050 0.000 0.816 282 A HN 0.403 nan 8.150 nan 0.000 0.444 283 M N -0.394 118.969 119.600 -0.394 0.000 2.099 283 M HA -0.084 4.396 4.480 0.001 0.000 0.262 283 M C 2.541 178.458 176.300 -0.638 0.000 1.067 283 M CA 1.467 56.298 55.300 -0.782 0.000 1.124 283 M CB -0.436 31.423 32.600 -1.235 0.000 1.353 283 M HN 0.419 nan 8.290 nan 0.000 0.410 284 A N 0.734 123.110 122.820 -0.739 0.000 1.908 284 A HA -0.149 4.172 4.320 0.001 0.000 0.218 284 A C 2.128 179.633 177.584 -0.131 0.000 1.181 284 A CA 1.621 53.340 52.037 -0.529 0.000 0.627 284 A CB -1.015 17.779 19.000 -0.343 0.000 0.818 284 A HN 0.461 nan 8.150 nan 0.000 0.445 285 I N -0.290 120.216 120.570 -0.108 0.000 2.226 285 I HA -0.218 3.952 4.170 0.001 0.000 0.245 285 I C 2.695 178.836 176.117 0.039 0.000 1.100 285 I CA 1.100 62.384 61.300 -0.027 0.000 1.374 285 I CB -0.610 37.371 38.000 -0.032 0.000 1.057 285 I HN 0.402 nan 8.210 nan 0.000 0.413 286 G N 0.048 108.884 108.800 0.059 0.000 2.459 286 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 286 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 286 G C 1.666 176.675 174.900 0.182 0.000 1.183 286 G CA 1.512 46.707 45.100 0.158 0.000 0.776 286 G HN 0.266 nan 8.290 nan 0.000 0.552 287 T N 1.535 116.217 114.554 0.214 0.000 2.708 287 T HA -0.006 4.345 4.350 0.001 0.000 0.266 287 T C 2.807 177.612 174.700 0.175 0.000 1.037 287 T CA 1.735 63.979 62.100 0.240 0.000 1.146 287 T CB -0.425 68.685 68.868 0.402 0.000 0.865 287 T HN 0.372 nan 8.240 nan 0.000 0.435 288 A N 1.229 124.142 122.820 0.155 0.000 1.969 288 A HA -0.059 4.262 4.320 0.001 0.000 0.218 288 A C 2.266 179.950 177.584 0.167 0.000 1.169 288 A CA 1.598 53.719 52.037 0.140 0.000 0.635 288 A CB -0.531 18.521 19.000 0.085 0.000 0.810 288 A HN 0.408 nan 8.150 nan 0.000 0.445 289 R N -0.398 120.192 120.500 0.151 0.000 2.081 289 R HA -0.100 4.241 4.340 0.001 0.000 0.235 289 R C 2.297 178.720 176.300 0.204 0.000 1.131 289 R CA 1.354 57.574 56.100 0.199 0.000 0.960 289 R CB -0.359 30.031 30.300 0.150 0.000 0.856 289 R HN 0.452 nan 8.270 nan 0.000 0.436 290 A N 0.655 123.554 122.820 0.132 0.000 1.902 290 A HA -0.103 4.218 4.320 0.001 0.000 0.217 290 A C 2.331 179.931 177.584 0.028 0.000 1.181 290 A CA 1.639 53.711 52.037 0.058 0.000 0.623 290 A CB -0.749 18.266 19.000 0.024 0.000 0.818 290 A HN 0.523 nan 8.150 nan 0.000 0.443 291 A N -0.833 122.049 122.820 0.103 0.000 1.858 291 A HA -0.072 4.249 4.320 0.001 0.000 0.216 291 A C 2.075 179.858 177.584 0.331 0.000 1.190 291 A CA 1.746 53.918 52.037 0.225 0.000 0.617 291 A CB -0.827 18.363 19.000 0.316 0.000 0.827 291 A HN 0.809 nan 8.150 nan 0.000 0.443 292 F N 1.074 121.111 119.950 0.144 0.000 2.095 292 F HA -0.159 4.369 4.527 0.002 0.000 0.298 292 F C 2.126 177.995 175.800 0.114 0.000 1.104 292 F CA 2.253 60.326 58.000 0.121 0.000 1.232 292 F CB -0.395 38.650 39.000 0.075 0.000 0.987 292 F HN 0.379 nan 8.300 nan 0.000 0.475 293 E N -0.160 119.959 120.200 -0.134 0.000 2.106 293 E HA -0.233 4.117 4.350 0.001 0.000 0.192 293 E C 2.136 178.648 176.600 -0.147 0.000 0.984 293 E CA 1.198 57.446 56.400 -0.254 0.000 0.806 293 E CB -0.296 29.373 29.700 -0.052 0.000 0.750 293 E HN 0.604 nan 8.360 nan 0.000 0.458 294 E N 0.816 120.981 120.200 -0.058 0.000 2.051 294 E HA -0.204 4.147 4.350 0.001 0.000 0.192 294 E C 2.016 178.706 176.600 0.149 0.000 0.991 294 E CA 1.123 57.513 56.400 -0.017 0.000 0.799 294 E CB -0.046 29.517 29.700 -0.230 0.000 0.748 294 E HN 0.216 nan 8.360 nan 0.000 0.449 295 A N 0.758 123.721 122.820 0.240 0.000 1.902 295 A HA -0.152 4.169 4.320 0.001 0.000 0.217 295 A C 2.125 179.756 177.584 0.079 0.000 1.181 295 A CA 1.254 53.417 52.037 0.210 0.000 0.623 295 A CB -0.658 18.437 19.000 0.159 0.000 0.818 295 A HN 0.385 nan 8.150 nan 0.000 0.443 296 L N -0.037 121.097 121.223 -0.149 0.000 1.994 296 L HA -0.127 4.214 4.340 0.001 0.000 0.208 296 L C 2.413 179.223 176.870 -0.101 0.000 1.071 296 L CA 2.053 56.751 54.840 -0.237 0.000 0.745 296 L CB -0.570 41.137 42.059 -0.586 0.000 0.892 296 L HN 0.155 nan 8.230 nan 0.000 0.431 297 V N -0.616 119.256 119.914 -0.070 0.000 2.295 297 V HA -0.320 3.801 4.120 0.001 0.000 0.246 297 V C 2.320 178.420 176.094 0.010 0.000 1.049 297 V CA 2.174 64.452 62.300 -0.036 0.000 1.024 297 V CB -0.874 30.938 31.823 -0.018 0.000 0.648 297 V HN 0.534 nan 8.190 nan 0.000 0.447 298 F N 1.446 121.365 119.950 -0.052 0.000 2.095 298 F HA -0.199 4.328 4.527 0.000 0.000 0.298 298 F C 2.308 178.077 175.800 -0.051 0.000 1.104 298 F CA 1.649 59.633 58.000 -0.028 0.000 1.232 298 F CB -0.523 38.498 39.000 0.036 0.000 0.987 298 F HN 0.078 nan 8.300 nan 0.000 0.475 299 A N -0.158 122.713 122.820 0.086 0.000 1.972 299 A HA -0.199 4.122 4.320 0.001 0.000 0.219 299 A C 2.082 179.586 177.584 -0.132 0.000 1.169 299 A CA 1.754 53.790 52.037 -0.001 0.000 0.635 299 A CB -0.620 18.421 19.000 0.068 0.000 0.810 299 A HN 0.499 nan 8.150 nan 0.000 0.446 300 K N -0.198 120.088 120.400 -0.190 0.000 2.444 300 K HA 0.043 4.364 4.320 0.001 0.000 0.193 300 K C 1.195 177.379 176.600 -0.694 0.000 1.024 300 K CA 0.849 56.953 56.287 -0.305 0.000 1.077 300 K CB 0.191 32.584 32.500 -0.177 0.000 0.833 300 K HN 0.616 nan 8.250 nan 0.000 0.517 301 S N -1.209 114.124 115.700 -0.612 0.000 2.728 301 S HA 0.107 4.578 4.470 0.001 0.000 0.257 301 S C -0.094 174.242 174.600 -0.441 0.000 1.060 301 S CA -0.589 57.251 58.200 -0.601 0.000 1.126 301 S CB 0.555 63.572 63.200 -0.306 0.000 1.099 301 S HN 0.026 nan 8.310 nan 0.000 0.617 302 D N 2.011 122.127 120.400 -0.474 0.000 2.505 302 D HA 0.340 4.981 4.640 0.001 0.000 0.249 302 D C 0.401 176.606 176.300 -0.158 0.000 1.082 302 D CA 0.004 53.751 54.000 -0.421 0.000 0.839 302 D CB 2.437 42.595 40.800 -1.069 0.000 1.317 302 D HN 0.228 nan 8.370 nan 0.000 0.497 303 T N 0.290 114.827 114.554 -0.029 0.000 3.060 303 T HA 0.044 4.395 4.350 0.001 0.000 0.249 303 T C 0.902 175.626 174.700 0.041 0.000 1.079 303 T CA -0.229 61.892 62.100 0.035 0.000 1.013 303 T CB 0.124 69.006 68.868 0.023 0.000 0.975 303 T HN 0.480 nan 8.240 nan 0.000 0.518 304 R N 1.063 121.568 120.500 0.008 0.000 3.322 304 R HA -0.170 4.171 4.340 0.001 0.000 0.253 304 R C 1.219 177.548 176.300 0.049 0.000 0.987 304 R CA 0.727 56.859 56.100 0.054 0.000 0.666 304 R CB -2.649 27.710 30.300 0.097 0.000 1.072 304 R HN 1.100 nan 8.270 nan 0.000 0.447 305 G N -1.853 106.967 108.800 0.034 0.000 2.179 305 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 305 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 305 G C 0.550 175.467 174.900 0.028 0.000 1.010 305 G CA 0.853 45.969 45.100 0.027 0.000 0.736 305 G HN 0.884 nan 8.290 nan 0.000 0.513 306 G N -1.212 107.611 108.800 0.038 0.000 2.990 306 G HA2 0.716 4.676 3.960 0.001 0.000 0.208 306 G HA3 0.716 4.676 3.960 0.001 0.000 0.208 306 G C 1.093 176.002 174.900 0.015 0.000 1.334 306 G CA 0.746 45.872 45.100 0.044 0.000 1.024 306 G HN 1.203 nan 8.290 nan 0.000 0.574 307 S N -1.590 114.115 115.700 0.008 0.000 2.524 307 S HA 0.253 4.724 4.470 0.001 0.000 0.215 307 S C 0.531 175.077 174.600 -0.089 0.000 0.986 307 S CA 0.211 58.391 58.200 -0.034 0.000 0.911 307 S CB -0.210 62.976 63.200 -0.024 0.000 0.805 307 S HN 0.780 nan 8.310 nan 0.000 0.501 308 K N 0.145 120.487 120.400 -0.097 0.000 2.532 308 K HA 0.375 4.696 4.320 0.001 0.000 0.265 308 K C -1.519 174.988 176.600 -0.156 0.000 0.948 308 K CA -0.863 55.302 56.287 -0.202 0.000 0.842 308 K CB 0.566 32.943 32.500 -0.206 0.000 1.392 308 K HN -0.002 nan 8.250 nan 0.000 0.436 309 H N 2.251 121.246 119.070 -0.124 0.000 3.038 309 H HA -0.010 4.546 4.556 0.001 0.000 0.338 309 H C 1.397 176.625 175.328 -0.167 0.000 1.041 309 H CA 0.556 56.526 56.048 -0.131 0.000 1.394 309 H CB 0.474 30.168 29.762 -0.114 0.000 1.357 309 H HN 0.733 nan 8.280 nan 0.000 0.600 310 I N 0.290 120.887 120.570 0.045 0.000 2.614 310 I HA -0.128 4.043 4.170 0.001 0.000 0.258 310 I C 2.203 178.350 176.117 0.050 0.000 1.189 310 I CA 1.097 62.458 61.300 0.102 0.000 1.462 310 I CB -0.216 37.918 38.000 0.222 0.000 1.092 310 I HN 0.464 nan 8.210 nan 0.000 0.442 311 I N 1.588 122.174 120.570 0.027 0.000 2.657 311 I HA -0.200 3.971 4.170 0.001 0.000 0.261 311 I C 1.848 177.956 176.117 -0.014 0.000 1.212 311 I CA 1.233 62.549 61.300 0.027 0.000 1.453 311 I CB -0.154 37.859 38.000 0.022 0.000 1.092 311 I HN 0.278 nan 8.210 nan 0.000 0.452 312 E N -0.042 120.090 120.200 -0.114 0.000 2.502 312 E HA 0.019 4.370 4.350 0.001 0.000 0.194 312 E C -0.075 176.401 176.600 -0.206 0.000 1.062 312 E CA 0.269 56.570 56.400 -0.166 0.000 0.867 312 E CB -0.125 29.448 29.700 -0.211 0.000 0.888 312 E HN 0.527 nan 8.360 nan 0.000 0.510 313 H N 1.005 120.092 119.070 0.028 0.000 2.562 313 H HA 0.191 4.747 4.556 0.001 0.000 0.314 313 H C 1.188 176.531 175.328 0.025 0.000 1.079 313 H CA -0.068 55.993 56.048 0.023 0.000 1.349 313 H CB 1.195 30.971 29.762 0.024 0.000 1.432 313 H HN 0.072 nan 8.280 nan 0.000 0.479 314 Q N 1.806 121.689 119.800 0.138 0.000 2.135 314 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 314 Q C 1.770 177.816 176.000 0.077 0.000 0.981 314 Q CA 1.590 57.443 55.803 0.082 0.000 0.856 314 Q CB 0.192 28.966 28.738 0.059 0.000 0.902 314 Q HN 0.520 nan 8.270 nan 0.000 0.425 315 S N 0.088 115.836 115.700 0.079 0.000 2.382 315 S HA -0.107 4.364 4.470 0.001 0.000 0.228 315 S C 2.104 176.744 174.600 0.066 0.000 1.027 315 S CA 1.021 59.254 58.200 0.054 0.000 0.991 315 S CB -0.110 63.108 63.200 0.030 0.000 0.823 315 S HN 0.153 nan 8.310 nan 0.000 0.469 316 V N 2.020 121.994 119.914 0.100 0.000 2.270 316 V HA -0.171 3.950 4.120 0.001 0.000 0.245 316 V C 2.686 178.837 176.094 0.096 0.000 1.043 316 V CA 1.665 64.028 62.300 0.105 0.000 1.014 316 V CB -1.283 30.630 31.823 0.149 0.000 0.645 316 V HN 0.528 nan 8.190 nan 0.000 0.447 317 A N 0.011 122.886 122.820 0.092 0.000 1.917 317 A HA -0.302 4.018 4.320 0.001 0.000 0.219 317 A C 1.978 179.609 177.584 0.080 0.000 1.182 317 A CA 2.247 54.334 52.037 0.083 0.000 0.633 317 A CB -0.748 18.292 19.000 0.066 0.000 0.819 317 A HN 0.549 nan 8.150 nan 0.000 0.448 318 D N -0.124 120.315 120.400 0.065 0.000 2.104 318 D HA -0.139 4.502 4.640 0.001 0.000 0.194 318 D C 1.949 178.283 176.300 0.056 0.000 0.994 318 D CA 1.259 55.290 54.000 0.052 0.000 0.830 318 D CB -0.173 40.651 40.800 0.040 0.000 0.959 318 D HN 0.249 nan 8.370 nan 0.000 0.452 319 K N 0.426 120.863 120.400 0.062 0.000 2.032 319 K HA -0.069 4.251 4.320 0.001 0.000 0.209 319 K C 2.420 179.085 176.600 0.109 0.000 1.048 319 K CA 0.480 56.808 56.287 0.067 0.000 0.927 319 K CB -0.726 31.808 32.500 0.058 0.000 0.712 319 K HN 0.273 nan 8.250 nan 0.000 0.441 320 L N 0.458 121.770 121.223 0.149 0.000 2.093 320 L HA -0.116 4.225 4.340 0.001 0.000 0.208 320 L C 2.466 179.471 176.870 0.225 0.000 1.085 320 L CA 0.788 55.788 54.840 0.268 0.000 0.755 320 L CB -0.383 41.830 42.059 0.257 0.000 0.904 320 L HN 0.083 nan 8.230 nan 0.000 0.435 321 I N -0.051 120.592 120.570 0.122 0.000 2.179 321 I HA -0.311 3.860 4.170 0.001 0.000 0.242 321 I C 2.137 178.255 176.117 0.001 0.000 1.088 321 I CA 1.325 62.658 61.300 0.055 0.000 1.357 321 I CB -0.372 37.654 38.000 0.044 0.000 1.051 321 I HN 0.277 nan 8.210 nan 0.000 0.409 322 D N 0.448 120.857 120.400 0.015 0.000 2.123 322 D HA -0.170 4.471 4.640 0.001 0.000 0.196 322 D C 2.286 178.561 176.300 -0.042 0.000 0.992 322 D CA 1.251 55.248 54.000 -0.006 0.000 0.833 322 D CB -0.543 40.264 40.800 0.011 0.000 0.954 322 D HN 0.381 nan 8.370 nan 0.000 0.455 323 C N 0.676 119.957 119.300 -0.032 0.000 2.413 323 C HA -0.144 4.317 4.460 0.001 0.000 0.277 323 C C 2.581 177.362 174.990 -0.349 0.000 1.228 323 C CA 0.685 59.641 59.018 -0.103 0.000 1.731 323 C CB -0.641 27.145 27.740 0.075 0.000 2.042 323 C HN 0.260 nan 8.230 nan 0.000 0.468 324 K N 1.299 121.403 120.400 -0.494 0.000 2.032 324 K HA -0.072 4.248 4.320 0.001 0.000 0.209 324 K C 1.630 178.042 176.600 -0.314 0.000 1.048 324 K CA 1.684 57.589 56.287 -0.636 0.000 0.927 324 K CB -0.730 31.521 32.500 -0.414 0.000 0.712 324 K HN 0.517 nan 8.250 nan 0.000 0.441 325 I N 0.377 120.841 120.570 -0.176 0.000 2.163 325 I HA -0.340 3.831 4.170 0.001 0.000 0.243 325 I C 2.385 178.465 176.117 -0.063 0.000 1.085 325 I CA 1.565 62.807 61.300 -0.096 0.000 1.347 325 I CB -0.259 37.713 38.000 -0.046 0.000 1.044 325 I HN 0.195 nan 8.210 nan 0.000 0.408 326 R N 0.448 120.909 120.500 -0.065 0.000 2.091 326 R HA -0.160 4.180 4.340 0.001 0.000 0.238 326 R C 2.299 178.566 176.300 -0.056 0.000 1.136 326 R CA 1.305 57.384 56.100 -0.036 0.000 0.959 326 R CB -0.372 29.872 30.300 -0.093 0.000 0.856 326 R HN 0.346 nan 8.270 nan 0.000 0.437 327 L N 0.015 121.156 121.223 -0.137 0.000 2.027 327 L HA -0.164 4.177 4.340 0.001 0.000 0.206 327 L C 2.531 179.321 176.870 -0.134 0.000 1.074 327 L CA 1.152 55.905 54.840 -0.144 0.000 0.745 327 L CB -0.298 41.627 42.059 -0.224 0.000 0.898 327 L HN 0.124 nan 8.230 nan 0.000 0.433 328 E N 0.198 120.308 120.200 -0.150 0.000 2.031 328 E HA -0.201 4.150 4.350 0.001 0.000 0.193 328 E C 2.151 178.675 176.600 -0.127 0.000 0.994 328 E CA 2.193 58.498 56.400 -0.158 0.000 0.800 328 E CB -0.330 29.279 29.700 -0.152 0.000 0.752 328 E HN 0.506 nan 8.360 nan 0.000 0.447 329 T N -1.908 112.613 114.554 -0.055 0.000 2.720 329 T HA -0.144 4.206 4.350 0.001 0.000 0.268 329 T C 2.218 176.944 174.700 0.044 0.000 1.037 329 T CA 1.649 63.741 62.100 -0.014 0.000 1.144 329 T CB -0.664 68.229 68.868 0.042 0.000 0.864 329 T HN 0.013 nan 8.240 nan 0.000 0.444 330 S N 1.111 116.888 115.700 0.129 0.000 2.356 330 S HA -0.049 4.422 4.470 0.001 0.000 0.223 330 S C 2.177 176.757 174.600 -0.033 0.000 1.032 330 S CA 1.320 59.596 58.200 0.127 0.000 1.005 330 S CB -0.380 62.847 63.200 0.046 0.000 0.867 330 S HN 0.557 nan 8.310 nan 0.000 0.449 331 R N 0.311 120.709 120.500 -0.169 0.000 2.075 331 R HA -0.004 4.337 4.340 0.001 0.000 0.232 331 R C 1.947 177.960 176.300 -0.478 0.000 1.126 331 R CA 0.829 56.688 56.100 -0.401 0.000 0.963 331 R CB -0.309 29.641 30.300 -0.583 0.000 0.858 331 R HN 0.219 nan 8.270 nan 0.000 0.435 332 L N 0.705 121.753 121.223 -0.292 0.000 2.013 332 L HA -0.214 4.127 4.340 0.001 0.000 0.212 332 L C 2.209 179.083 176.870 0.007 0.000 1.073 332 L CA 1.477 56.257 54.840 -0.100 0.000 0.753 332 L CB -1.041 40.982 42.059 -0.060 0.000 0.890 332 L HN 0.267 nan 8.230 nan 0.000 0.432 333 L N -1.303 119.910 121.223 -0.015 0.000 2.056 333 L HA -0.134 4.207 4.340 0.001 0.000 0.207 333 L C 2.447 179.360 176.870 0.072 0.000 1.078 333 L CA 1.317 56.171 54.840 0.022 0.000 0.749 333 L CB -0.481 41.583 42.059 0.007 0.000 0.901 333 L HN 0.016 nan 8.230 nan 0.000 0.433 334 V N -1.375 118.585 119.914 0.076 0.000 2.255 334 V HA -0.295 3.825 4.120 0.001 0.000 0.247 334 V C 2.248 178.525 176.094 0.304 0.000 1.051 334 V CA 2.035 64.429 62.300 0.158 0.000 1.018 334 V CB -0.867 31.050 31.823 0.157 0.000 0.641 334 V HN 0.541 nan 8.190 nan 0.000 0.445 335 W N 0.493 121.816 121.300 0.037 0.000 2.388 335 W HA -0.075 4.586 4.660 0.001 0.000 0.294 335 W C 2.492 179.016 176.519 0.007 0.000 1.212 335 W CA 1.247 58.609 57.345 0.029 0.000 1.271 335 W CB -0.966 28.526 29.460 0.054 0.000 1.126 335 W HN 0.215 nan 8.180 nan 0.000 0.535 336 K N 0.948 121.485 120.400 0.228 0.000 2.057 336 K HA -0.096 4.225 4.320 0.001 0.000 0.207 336 K C 2.102 178.744 176.600 0.070 0.000 1.049 336 K CA 2.147 58.499 56.287 0.108 0.000 0.931 336 K CB -0.797 31.748 32.500 0.076 0.000 0.714 336 K HN -0.081 nan 8.250 nan 0.000 0.440 337 A N 0.444 123.310 122.820 0.078 0.000 1.898 337 A HA -0.089 4.232 4.320 0.001 0.000 0.216 337 A C 2.324 179.933 177.584 0.042 0.000 1.181 337 A CA 1.987 54.050 52.037 0.043 0.000 0.620 337 A CB -1.050 17.975 19.000 0.041 0.000 0.819 337 A HN 0.285 nan 8.150 nan 0.000 0.442 338 V N -2.987 116.970 119.914 0.071 0.000 2.427 338 V HA -0.146 3.975 4.120 0.001 0.000 0.248 338 V C 2.155 178.267 176.094 0.030 0.000 1.051 338 V CA 2.665 64.996 62.300 0.051 0.000 1.048 338 V CB -1.751 30.105 31.823 0.055 0.000 0.666 338 V HN 0.381 nan 8.190 nan 0.000 0.456 339 T N 0.811 115.381 114.554 0.027 0.000 2.746 339 T HA -0.154 4.197 4.350 0.001 0.000 0.267 339 T C 1.945 176.648 174.700 0.006 0.000 1.039 339 T CA 2.413 64.516 62.100 0.004 0.000 1.142 339 T CB -0.589 68.275 68.868 -0.006 0.000 0.866 339 T HN 0.694 nan 8.240 nan 0.000 0.444 340 T N 2.331 116.890 114.554 0.008 0.000 2.746 340 T HA 0.032 4.383 4.350 0.001 0.000 0.267 340 T C 1.946 176.651 174.700 0.009 0.000 1.039 340 T CA 0.838 62.937 62.100 -0.001 0.000 1.142 340 T CB -0.422 68.436 68.868 -0.016 0.000 0.866 340 T HN 0.257 nan 8.240 nan 0.000 0.444 341 L N 0.573 121.808 121.223 0.020 0.000 2.131 341 L HA -0.084 4.257 4.340 0.001 0.000 0.210 341 L C 2.435 179.350 176.870 0.075 0.000 1.092 341 L CA 1.363 56.238 54.840 0.058 0.000 0.759 341 L CB -0.419 41.680 42.059 0.067 0.000 0.903 341 L HN 0.337 nan 8.230 nan 0.000 0.435 342 E N -1.058 119.168 120.200 0.043 0.000 2.489 342 E HA -0.078 4.273 4.350 0.001 0.000 0.193 342 E C 0.114 176.732 176.600 0.030 0.000 1.057 342 E CA -0.136 56.285 56.400 0.034 0.000 0.866 342 E CB 0.174 29.883 29.700 0.015 0.000 0.916 342 E HN 0.208 nan 8.360 nan 0.000 0.500 343 D N 1.177 121.596 120.400 0.032 0.000 2.380 343 D HA 0.020 4.661 4.640 0.001 0.000 0.230 343 D C 0.359 176.684 176.300 0.040 0.000 1.154 343 D CA 0.055 54.071 54.000 0.026 0.000 0.859 343 D CB 0.812 41.621 40.800 0.015 0.000 1.045 343 D HN -0.019 nan 8.370 nan 0.000 0.495 344 E N 2.138 122.359 120.200 0.036 0.000 2.338 344 E HA -0.114 4.237 4.350 0.001 0.000 0.197 344 E C 1.536 178.160 176.600 0.040 0.000 1.007 344 E CA 0.524 56.949 56.400 0.041 0.000 0.849 344 E CB 0.212 29.929 29.700 0.028 0.000 0.774 344 E HN 0.551 nan 8.360 nan 0.000 0.506 345 A N 0.639 123.479 122.820 0.033 0.000 2.168 345 A HA 0.021 4.342 4.320 0.001 0.000 0.215 345 A C 0.914 178.520 177.584 0.037 0.000 1.152 345 A CA 0.370 52.425 52.037 0.030 0.000 0.716 345 A CB -0.058 18.956 19.000 0.023 0.000 0.794 345 A HN 0.071 nan 8.150 nan 0.000 0.465 346 L N 0.525 121.774 121.223 0.044 0.000 2.325 346 L HA 0.302 4.642 4.340 0.001 0.000 0.279 346 L C 0.114 177.027 176.870 0.072 0.000 1.054 346 L CA -0.672 54.195 54.840 0.044 0.000 0.804 346 L CB 1.321 43.396 42.059 0.027 0.000 1.200 346 L HN 0.256 nan 8.230 nan 0.000 0.436 347 E N 1.457 121.696 120.200 0.065 0.000 2.418 347 E HA -0.123 4.227 4.350 0.001 0.000 0.261 347 E C 0.288 176.972 176.600 0.139 0.000 1.070 347 E CA 0.106 56.568 56.400 0.103 0.000 0.931 347 E CB 1.009 30.754 29.700 0.076 0.000 0.954 347 E HN 0.641 nan 8.360 nan 0.000 0.439 348 W N 3.867 125.174 121.300 0.012 0.000 2.338 348 W HA -0.245 4.415 4.660 0.001 0.000 0.304 348 W C 1.568 178.097 176.519 0.018 0.000 1.212 348 W CA 1.695 59.048 57.345 0.013 0.000 1.264 348 W CB 0.090 29.556 29.460 0.009 0.000 1.142 348 W HN 0.574 nan 8.180 nan 0.000 0.512 349 K N -0.123 120.226 120.400 -0.085 0.000 2.280 349 K HA -0.133 4.188 4.320 0.001 0.000 0.202 349 K C 1.573 178.062 176.600 -0.186 0.000 1.047 349 K CA 1.638 57.821 56.287 -0.173 0.000 0.942 349 K CB -0.859 31.637 32.500 -0.007 0.000 0.739 349 K HN 0.064 nan 8.250 nan 0.000 0.457 350 V N 1.908 121.740 119.914 -0.137 0.000 2.379 350 V HA -0.161 3.959 4.120 0.001 0.000 0.245 350 V C 2.156 178.136 176.094 -0.189 0.000 1.044 350 V CA 1.659 63.892 62.300 -0.113 0.000 1.036 350 V CB -0.358 31.430 31.823 -0.059 0.000 0.664 350 V HN 0.349 nan 8.190 nan 0.000 0.453 351 K N -0.174 120.052 120.400 -0.289 0.000 2.097 351 K HA -0.135 4.185 4.320 0.001 0.000 0.205 351 K C 2.110 178.388 176.600 -0.537 0.000 1.050 351 K CA 1.216 57.284 56.287 -0.365 0.000 0.938 351 K CB -0.347 31.929 32.500 -0.373 0.000 0.718 351 K HN 0.255 nan 8.250 nan 0.000 0.442 352 L N 2.001 122.729 121.223 -0.825 0.000 2.017 352 L HA -0.159 4.182 4.340 0.001 0.000 0.208 352 L C 2.365 179.046 176.870 -0.314 0.000 1.073 352 L CA 1.814 56.247 54.840 -0.679 0.000 0.745 352 L CB -0.369 41.250 42.059 -0.733 0.000 0.894 352 L HN 0.173 nan 8.230 nan 0.000 0.432 353 E N -0.783 119.273 120.200 -0.239 0.000 2.110 353 E HA -0.283 4.068 4.350 0.001 0.000 0.193 353 E C 2.149 178.689 176.600 -0.099 0.000 0.988 353 E CA 1.713 58.035 56.400 -0.129 0.000 0.804 353 E CB -0.089 29.579 29.700 -0.054 0.000 0.745 353 E HN 0.482 nan 8.360 nan 0.000 0.458 354 M N 0.599 120.132 119.600 -0.111 0.000 2.132 354 M HA -0.043 4.438 4.480 0.001 0.000 0.263 354 M C 2.025 178.290 176.300 -0.058 0.000 1.065 354 M CA 1.756 57.014 55.300 -0.069 0.000 1.122 354 M CB -0.363 32.200 32.600 -0.062 0.000 1.365 354 M HN 0.099 nan 8.290 nan 0.000 0.411 355 A N 0.039 122.802 122.820 -0.095 0.000 1.902 355 A HA -0.146 4.175 4.320 0.001 0.000 0.217 355 A C 2.065 179.628 177.584 -0.035 0.000 1.181 355 A CA 1.887 53.888 52.037 -0.061 0.000 0.623 355 A CB -0.608 18.340 19.000 -0.086 0.000 0.818 355 A HN 0.537 nan 8.150 nan 0.000 0.443 356 M N -0.451 119.117 119.600 -0.054 0.000 2.086 356 M HA -0.180 4.301 4.480 0.001 0.000 0.261 356 M C 2.242 178.538 176.300 -0.006 0.000 1.067 356 M CA 1.560 56.840 55.300 -0.033 0.000 1.116 356 M CB -1.723 30.846 32.600 -0.052 0.000 1.348 356 M HN 0.527 nan 8.290 nan 0.000 0.407 357 Q N -0.571 119.225 119.800 -0.008 0.000 2.077 357 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 357 Q C 2.015 178.054 176.000 0.065 0.000 0.989 357 Q CA 2.301 58.117 55.803 0.022 0.000 0.853 357 Q CB -0.363 28.377 28.738 0.003 0.000 0.907 357 Q HN 0.546 nan 8.270 nan 0.000 0.418 358 T N 0.892 115.475 114.554 0.050 0.000 2.737 358 T HA -0.135 4.216 4.350 0.001 0.000 0.265 358 T C 1.714 176.464 174.700 0.083 0.000 1.038 358 T CA 0.945 63.092 62.100 0.078 0.000 1.144 358 T CB -0.096 68.803 68.868 0.051 0.000 0.866 358 T HN 0.121 nan 8.240 nan 0.000 0.434 359 K N 1.048 121.478 120.400 0.049 0.000 2.032 359 K HA -0.043 4.278 4.320 0.001 0.000 0.209 359 K C 2.280 178.914 176.600 0.055 0.000 1.048 359 K CA 1.308 57.620 56.287 0.041 0.000 0.927 359 K CB -0.603 31.910 32.500 0.021 0.000 0.712 359 K HN 0.367 nan 8.250 nan 0.000 0.441 360 I N -0.137 120.469 120.570 0.060 0.000 2.099 360 I HA -0.325 3.846 4.170 0.001 0.000 0.239 360 I C 2.494 178.660 176.117 0.081 0.000 1.066 360 I CA 1.558 62.895 61.300 0.062 0.000 1.324 360 I CB -0.521 37.514 38.000 0.058 0.000 1.037 360 I HN 0.161 nan 8.210 nan 0.000 0.401 361 Y N 1.979 122.281 120.300 0.004 0.000 2.089 361 Y HA -0.341 4.210 4.550 0.001 0.000 0.282 361 Y C 3.013 178.915 175.900 0.003 0.000 1.139 361 Y CA 2.480 60.582 58.100 0.003 0.000 1.123 361 Y CB -0.809 37.650 38.460 -0.001 0.000 0.980 361 Y HN 0.319 nan 8.280 nan 0.000 0.493 362 T N -2.867 111.695 114.554 0.013 0.000 2.759 362 T HA -0.228 4.123 4.350 0.001 0.000 0.269 362 T C 1.802 176.435 174.700 -0.112 0.000 1.042 362 T CA 2.196 64.246 62.100 -0.083 0.000 1.140 362 T CB -1.368 67.506 68.868 0.010 0.000 0.864 362 T HN 0.583 nan 8.240 nan 0.000 0.455 363 T N -0.650 113.882 114.554 -0.038 0.000 2.937 363 T HA -0.014 4.337 4.350 0.001 0.000 0.260 363 T C 1.671 176.372 174.700 0.003 0.000 1.051 363 T CA 0.923 63.044 62.100 0.035 0.000 1.141 363 T CB -0.414 68.524 68.868 0.117 0.000 0.879 363 T HN 0.202 nan 8.240 nan 0.000 0.459 364 D N 1.784 122.150 120.400 -0.057 0.000 2.097 364 D HA -0.071 4.569 4.640 0.001 0.000 0.197 364 D C 2.435 178.658 176.300 -0.127 0.000 0.984 364 D CA 1.697 55.651 54.000 -0.076 0.000 0.826 364 D CB -0.411 40.347 40.800 -0.070 0.000 0.973 364 D HN 0.498 nan 8.370 nan 0.000 0.460 365 V N -0.990 118.766 119.914 -0.263 0.000 2.871 365 V HA 0.103 4.224 4.120 0.001 0.000 0.256 365 V C 2.168 178.172 176.094 -0.150 0.000 1.082 365 V CA 1.318 63.455 62.300 -0.273 0.000 1.105 365 V CB -0.686 30.823 31.823 -0.525 0.000 0.713 365 V HN 0.079 nan 8.190 nan 0.000 0.473 366 A N 0.800 123.560 122.820 -0.100 0.000 1.902 366 A HA -0.062 4.259 4.320 0.001 0.000 0.217 366 A C 2.351 179.954 177.584 0.031 0.000 1.181 366 A CA 2.154 54.188 52.037 -0.006 0.000 0.623 366 A CB -0.827 18.210 19.000 0.063 0.000 0.818 366 A HN 0.468 nan 8.150 nan 0.000 0.443 367 V N 0.233 120.159 119.914 0.019 0.000 2.295 367 V HA -0.306 3.815 4.120 0.001 0.000 0.246 367 V C 2.386 178.484 176.094 0.007 0.000 1.049 367 V CA 2.368 64.677 62.300 0.015 0.000 1.024 367 V CB -1.024 30.796 31.823 -0.004 0.000 0.648 367 V HN 0.654 nan 8.190 nan 0.000 0.447 368 E N -0.761 119.430 120.200 -0.015 0.000 2.085 368 E HA -0.296 4.054 4.350 0.001 0.000 0.194 368 E C 2.290 178.892 176.600 0.003 0.000 0.994 368 E CA 1.761 58.152 56.400 -0.015 0.000 0.801 368 E CB -0.473 29.206 29.700 -0.036 0.000 0.743 368 E HN 0.677 nan 8.360 nan 0.000 0.453 369 C N 0.523 119.826 119.300 0.005 0.000 2.429 369 C HA -0.114 4.347 4.460 0.001 0.000 0.277 369 C C 2.679 177.721 174.990 0.088 0.000 1.262 369 C CA 0.730 59.769 59.018 0.036 0.000 1.733 369 C CB -0.747 27.004 27.740 0.019 0.000 2.010 369 C HN 0.212 nan 8.230 nan 0.000 0.483 370 V N 1.061 121.030 119.914 0.092 0.000 2.307 370 V HA -0.168 3.953 4.120 0.001 0.000 0.245 370 V C 2.307 178.448 176.094 0.079 0.000 1.045 370 V CA 2.363 64.742 62.300 0.132 0.000 1.024 370 V CB -0.598 31.302 31.823 0.129 0.000 0.651 370 V HN 0.559 nan 8.190 nan 0.000 0.449 371 I N 0.159 120.751 120.570 0.037 0.000 2.179 371 I HA -0.245 3.926 4.170 0.001 0.000 0.242 371 I C 2.317 178.417 176.117 -0.027 0.000 1.088 371 I CA 1.698 62.998 61.300 -0.001 0.000 1.357 371 I CB -0.494 37.505 38.000 -0.002 0.000 1.051 371 I HN 0.298 nan 8.210 nan 0.000 0.409 372 D N 0.940 121.338 120.400 -0.004 0.000 2.117 372 D HA -0.151 4.489 4.640 0.001 0.000 0.197 372 D C 2.243 178.534 176.300 -0.016 0.000 0.987 372 D CA 1.559 55.557 54.000 -0.003 0.000 0.829 372 D CB -0.171 40.644 40.800 0.024 0.000 0.961 372 D HN 0.350 nan 8.370 nan 0.000 0.460 373 A N 0.369 123.193 122.820 0.007 0.000 1.933 373 A HA -0.167 4.154 4.320 0.001 0.000 0.218 373 A C 2.262 179.660 177.584 -0.309 0.000 1.175 373 A CA 1.321 53.346 52.037 -0.020 0.000 0.628 373 A CB -0.503 18.595 19.000 0.163 0.000 0.814 373 A HN 0.172 nan 8.150 nan 0.000 0.444 374 M N -0.799 118.564 119.600 -0.395 0.000 2.117 374 M HA -0.166 4.314 4.480 0.001 0.000 0.262 374 M C 2.140 178.250 176.300 -0.317 0.000 1.065 374 M CA 1.771 56.740 55.300 -0.552 0.000 1.114 374 M CB -0.365 32.038 32.600 -0.329 0.000 1.361 374 M HN 0.317 nan 8.290 nan 0.000 0.408 375 K N 0.393 120.686 120.400 -0.177 0.000 2.063 375 K HA -0.133 4.187 4.320 0.001 0.000 0.208 375 K C 2.102 178.649 176.600 -0.089 0.000 1.048 375 K CA 1.568 57.788 56.287 -0.112 0.000 0.928 375 K CB -0.312 32.148 32.500 -0.066 0.000 0.713 375 K HN 0.311 nan 8.250 nan 0.000 0.442 376 A N 0.852 123.627 122.820 -0.076 0.000 1.873 376 A HA -0.113 4.207 4.320 0.001 0.000 0.215 376 A C 2.362 179.943 177.584 -0.004 0.000 1.186 376 A CA 1.380 53.409 52.037 -0.013 0.000 0.616 376 A CB -0.624 18.392 19.000 0.027 0.000 0.823 376 A HN 0.077 nan 8.150 nan 0.000 0.442 377 V N -0.924 118.909 119.914 -0.136 0.000 2.427 377 V HA 0.179 4.300 4.120 0.001 0.000 0.248 377 V C 1.758 177.754 176.094 -0.164 0.000 1.051 377 V CA 1.340 63.504 62.300 -0.227 0.000 1.048 377 V CB -1.635 29.828 31.823 -0.601 0.000 0.666 377 V HN 1.251 nan 8.190 nan 0.000 0.456 378 G N -1.003 107.698 108.800 -0.166 0.000 2.527 378 G HA2 -0.349 3.612 3.960 0.001 0.000 0.227 378 G HA3 -0.349 3.612 3.960 0.001 0.000 0.227 378 G C 0.337 175.165 174.900 -0.120 0.000 1.291 378 G CA 0.252 45.290 45.100 -0.104 0.000 0.904 378 G HN 0.153 nan 8.290 nan 0.000 0.577 379 M N 0.505 120.064 119.600 -0.069 0.000 2.106 379 M HA -0.007 4.473 4.480 0.001 0.000 0.259 379 M C 2.409 178.702 176.300 -0.012 0.000 1.068 379 M CA 3.004 58.277 55.300 -0.045 0.000 1.100 379 M CB -0.613 31.975 32.600 -0.020 0.000 1.351 379 M HN 0.582 nan 8.290 nan 0.000 0.404 380 K N -0.542 119.831 120.400 -0.045 0.000 2.160 380 K HA -0.165 4.156 4.320 0.001 0.000 0.206 380 K C 1.873 178.448 176.600 -0.042 0.000 1.047 380 K CA 1.679 57.934 56.287 -0.052 0.000 0.930 380 K CB -0.463 31.965 32.500 -0.119 0.000 0.720 380 K HN 0.624 nan 8.250 nan 0.000 0.450 381 S N -0.304 115.329 115.700 -0.112 0.000 2.474 381 S HA -0.159 4.312 4.470 0.001 0.000 0.235 381 S C 1.685 176.362 174.600 0.128 0.000 0.997 381 S CA 0.588 58.745 58.200 -0.071 0.000 0.949 381 S CB -0.283 62.574 63.200 -0.572 0.000 0.766 381 S HN 0.341 nan 8.310 nan 0.000 0.517 382 Y N 2.397 122.673 120.300 -0.040 0.000 2.511 382 Y HA 0.561 5.112 4.550 0.001 0.000 0.279 382 Y C 1.003 176.907 175.900 0.007 0.000 1.157 382 Y CA -0.595 57.497 58.100 -0.014 0.000 1.300 382 Y CB -0.342 38.099 38.460 -0.032 0.000 1.052 382 Y HN 0.447 nan 8.280 nan 0.000 0.529 383 A N 0.036 122.886 122.820 0.049 0.000 2.320 383 A HA 0.381 4.702 4.320 0.001 0.000 0.334 383 A C 0.739 178.311 177.584 -0.020 0.000 1.147 383 A CA -0.703 51.326 52.037 -0.012 0.000 0.820 383 A CB 0.888 19.903 19.000 0.025 0.000 1.218 383 A HN 0.328 nan 8.150 nan 0.000 0.482 384 K N 0.592 120.965 120.400 -0.046 0.000 2.505 384 K HA -0.033 4.288 4.320 0.001 0.000 0.192 384 K C 0.127 176.705 176.600 -0.036 0.000 1.025 384 K CA 0.742 57.001 56.287 -0.047 0.000 1.086 384 K CB 0.167 32.632 32.500 -0.059 0.000 0.840 384 K HN 0.796 nan 8.250 nan 0.000 0.514 385 D N 0.055 120.443 120.400 -0.020 0.000 2.349 385 D HA -0.075 4.566 4.640 0.001 0.000 0.224 385 D C 0.529 176.816 176.300 -0.022 0.000 1.029 385 D CA 0.456 54.445 54.000 -0.018 0.000 0.879 385 D CB 0.159 40.957 40.800 -0.003 0.000 0.906 385 D HN 0.094 nan 8.370 nan 0.000 0.528 386 M N -0.375 119.214 119.600 -0.018 0.000 2.664 386 M HA 0.253 4.734 4.480 0.001 0.000 0.314 386 M C 0.855 177.078 176.300 -0.129 0.000 1.200 386 M CA -0.781 54.488 55.300 -0.050 0.000 0.916 386 M CB 2.331 34.983 32.600 0.087 0.000 1.717 386 M HN -0.313 nan 8.290 nan 0.000 0.470 387 S N 0.472 115.979 115.700 -0.322 0.000 2.447 387 S HA -0.063 4.408 4.470 0.001 0.000 0.233 387 S C 1.389 175.825 174.600 -0.273 0.000 1.006 387 S CA 1.273 59.275 58.200 -0.330 0.000 0.957 387 S CB -0.328 62.619 63.200 -0.422 0.000 0.773 387 S HN 0.522 nan 8.310 nan 0.000 0.507 388 F N 1.795 121.717 119.950 -0.047 0.000 2.091 388 F HA -0.047 4.480 4.527 0.001 0.000 0.299 388 F C -0.412 175.361 175.800 -0.046 0.000 1.103 388 F CA 0.770 58.748 58.000 -0.037 0.000 1.228 388 F CB -2.329 36.651 39.000 -0.032 0.000 0.984 388 F HN 0.186 nan 8.300 nan 0.000 0.477 389 P HA -0.220 nan 4.420 nan 0.000 0.216 389 P C 1.576 178.857 177.300 -0.031 0.000 1.153 389 P CA 1.898 64.993 63.100 -0.008 0.000 0.858 389 P CB -0.148 31.503 31.700 -0.081 0.000 0.789 390 R N -0.051 120.422 120.500 -0.045 0.000 2.075 390 R HA -0.077 4.264 4.340 0.001 0.000 0.232 390 R C 2.193 178.446 176.300 -0.079 0.000 1.126 390 R CA 1.302 57.361 56.100 -0.068 0.000 0.963 390 R CB -0.907 29.353 30.300 -0.067 0.000 0.858 390 R HN 0.143 nan 8.270 nan 0.000 0.435 391 L N 0.868 122.064 121.223 -0.045 0.000 2.046 391 L HA -0.189 4.152 4.340 0.001 0.000 0.208 391 L C 2.545 179.411 176.870 -0.008 0.000 1.077 391 L CA 0.670 55.499 54.840 -0.017 0.000 0.747 391 L CB -0.605 41.467 42.059 0.023 0.000 0.896 391 L HN 0.273 nan 8.230 nan 0.000 0.432 392 L N 0.276 121.513 121.223 0.022 0.000 1.989 392 L HA -0.235 4.106 4.340 0.001 0.000 0.211 392 L C 2.326 179.166 176.870 -0.051 0.000 1.071 392 L CA 1.908 56.755 54.840 0.012 0.000 0.749 392 L CB -0.797 41.285 42.059 0.040 0.000 0.890 392 L HN 0.260 nan 8.230 nan 0.000 0.431 393 N N -0.386 118.270 118.700 -0.073 0.000 2.142 393 N HA -0.193 4.547 4.740 0.001 0.000 0.186 393 N C 1.736 177.135 175.510 -0.185 0.000 1.023 393 N CA 1.722 54.708 53.050 -0.107 0.000 0.852 393 N CB -0.135 38.296 38.487 -0.093 0.000 0.998 393 N HN 0.561 nan 8.380 nan 0.000 0.424 394 E N 0.640 120.687 120.200 -0.256 0.000 2.077 394 E HA -0.114 4.237 4.350 0.001 0.000 0.193 394 E C 1.970 178.287 176.600 -0.472 0.000 0.989 394 E CA 0.661 56.784 56.400 -0.463 0.000 0.800 394 E CB -0.057 29.340 29.700 -0.505 0.000 0.746 394 E HN 0.023 nan 8.360 nan 0.000 0.452 395 V N 0.878 120.615 119.914 -0.295 0.000 2.626 395 V HA -0.196 3.925 4.120 0.001 0.000 0.252 395 V C 1.895 177.770 176.094 -0.364 0.000 1.067 395 V CA 1.198 63.330 62.300 -0.280 0.000 1.081 395 V CB -0.130 31.707 31.823 0.022 0.000 0.686 395 V HN 0.327 nan 8.190 nan 0.000 0.468 396 M N -1.278 118.161 119.600 -0.269 0.000 2.557 396 M HA -0.092 4.388 4.480 0.001 0.000 0.259 396 M C 2.198 178.333 176.300 -0.275 0.000 1.086 396 M CA 1.313 56.493 55.300 -0.200 0.000 1.096 396 M CB -1.998 30.528 32.600 -0.124 0.000 1.424 396 M HN 0.648 nan 8.290 nan 0.000 0.488 397 C N 0.108 119.124 119.300 -0.473 0.000 2.440 397 C HA -0.189 4.272 4.460 0.001 0.000 0.278 397 C C 2.540 177.156 174.990 -0.624 0.000 1.295 397 C CA 0.685 59.353 59.018 -0.583 0.000 1.738 397 C CB -0.982 26.314 27.740 -0.739 0.000 1.987 397 C HN 0.512 nan 8.230 nan 0.000 0.492 398 Y N 2.259 122.322 120.300 -0.394 0.000 2.181 398 Y HA 0.014 4.565 4.550 0.001 0.000 0.288 398 Y C 0.067 176.003 175.900 0.060 0.000 1.146 398 Y CA 1.265 59.242 58.100 -0.205 0.000 1.164 398 Y CB -2.479 35.931 38.460 -0.084 0.000 0.982 398 Y HN 0.374 nan 8.280 nan 0.000 0.515 399 P HA -0.083 nan 4.420 nan 0.000 0.223 399 P C 1.296 178.634 177.300 0.063 0.000 1.151 399 P CA 1.478 64.629 63.100 0.084 0.000 0.787 399 P CB -0.040 31.674 31.700 0.024 0.000 0.788 400 L N -2.012 119.236 121.223 0.041 0.000 2.253 400 L HA 0.168 4.509 4.340 0.001 0.000 0.205 400 L C 1.730 178.620 176.870 0.034 0.000 1.078 400 L CA 0.113 54.943 54.840 -0.016 0.000 0.805 400 L CB -0.495 41.502 42.059 -0.103 0.000 0.963 400 L HN -0.029 nan 8.230 nan 0.000 0.459 401 F N -0.484 119.378 119.950 -0.147 0.000 2.364 401 F HA 0.323 4.851 4.527 0.001 0.000 0.316 401 F C 0.640 176.385 175.800 -0.091 0.000 1.133 401 F CA -0.855 57.047 58.000 -0.163 0.000 1.051 401 F CB 0.522 39.432 39.000 -0.149 0.000 1.342 401 F HN -0.040 nan 8.300 nan 0.000 0.507 402 D N 0.864 120.975 120.400 -0.482 0.000 2.772 402 D HA -0.089 4.552 4.640 0.001 0.000 0.233 402 D C -0.037 176.107 176.300 -0.260 0.000 1.143 402 D CA 1.631 55.355 54.000 -0.460 0.000 0.700 402 D CB -1.404 38.961 40.800 -0.726 0.000 1.076 402 D HN 1.509 nan 8.370 nan 0.000 0.430 403 G N -1.090 107.541 108.800 -0.281 0.000 3.429 403 G HA2 0.318 4.279 3.960 0.001 0.000 0.605 403 G HA3 0.318 4.279 3.960 0.001 0.000 0.605 403 G C 0.575 175.402 174.900 -0.123 0.000 0.973 403 G CA 0.103 45.052 45.100 -0.253 0.000 0.774 403 G HN 0.972 nan 8.290 nan 0.000 0.422 404 G N 1.556 110.295 108.800 -0.101 0.000 2.491 404 G HA2 0.366 4.326 3.960 0.001 0.000 0.238 404 G HA3 0.366 4.326 3.960 0.001 0.000 0.238 404 G C 1.037 175.917 174.900 -0.035 0.000 1.277 404 G CA 0.287 45.356 45.100 -0.051 0.000 0.851 404 G HN 0.696 nan 8.290 nan 0.000 0.573 405 N N 0.777 119.470 118.700 -0.011 0.000 2.166 405 N HA -0.138 4.603 4.740 0.001 0.000 0.186 405 N C 2.122 177.624 175.510 -0.013 0.000 1.019 405 N CA 0.747 53.793 53.050 -0.006 0.000 0.856 405 N CB -0.067 38.425 38.487 0.008 0.000 0.993 405 N HN 0.413 nan 8.380 nan 0.000 0.426 406 I N 0.070 120.630 120.570 -0.017 0.000 2.193 406 I HA -0.027 4.143 4.170 0.001 0.000 0.240 406 I C 2.308 178.414 176.117 -0.018 0.000 1.084 406 I CA 1.186 62.476 61.300 -0.016 0.000 1.365 406 I CB -1.599 36.392 38.000 -0.016 0.000 1.064 406 I HN 0.100 nan 8.210 nan 0.000 0.410 407 G N -0.321 108.466 108.800 -0.022 0.000 2.539 407 G HA2 0.089 4.050 3.960 0.001 0.000 0.215 407 G HA3 0.089 4.050 3.960 0.001 0.000 0.215 407 G C 1.704 176.597 174.900 -0.011 0.000 1.141 407 G CA 0.193 45.284 45.100 -0.015 0.000 0.806 407 G HN 0.245 nan 8.290 nan 0.000 0.533 408 L N -1.102 120.106 121.223 -0.024 0.000 2.670 408 L HA 0.286 4.627 4.340 0.001 0.000 0.177 408 L C 2.844 179.699 176.870 -0.025 0.000 1.181 408 L CA -0.277 54.548 54.840 -0.023 0.000 0.856 408 L CB -0.046 41.974 42.059 -0.065 0.000 1.205 408 L HN -0.156 nan 8.230 nan 0.000 0.506 409 R N 0.715 121.194 120.500 -0.034 0.000 2.081 409 R HA -0.075 4.266 4.340 0.001 0.000 0.235 409 R C 2.132 178.417 176.300 -0.026 0.000 1.131 409 R CA 1.234 57.317 56.100 -0.027 0.000 0.960 409 R CB -0.835 29.452 30.300 -0.022 0.000 0.856 409 R HN 0.305 nan 8.270 nan 0.000 0.436 410 R N 0.256 120.742 120.500 -0.023 0.000 2.120 410 R HA -0.065 4.276 4.340 0.001 0.000 0.234 410 R C 2.256 178.533 176.300 -0.037 0.000 1.123 410 R CA 1.177 57.261 56.100 -0.027 0.000 0.975 410 R CB -0.138 30.150 30.300 -0.020 0.000 0.866 410 R HN 0.006 nan 8.270 nan 0.000 0.446 411 R N 0.473 120.955 120.500 -0.030 0.000 2.093 411 R HA -0.018 4.322 4.340 0.001 0.000 0.224 411 R C 2.149 178.427 176.300 -0.037 0.000 1.101 411 R CA 1.236 57.318 56.100 -0.031 0.000 0.979 411 R CB -0.171 30.119 30.300 -0.016 0.000 0.877 411 R HN 0.293 nan 8.270 nan 0.000 0.441 412 Q N -0.473 119.310 119.800 -0.028 0.000 2.079 412 Q HA -0.140 4.201 4.340 0.001 0.000 0.200 412 Q C 2.065 178.027 176.000 -0.064 0.000 0.974 412 Q CA 1.741 57.528 55.803 -0.028 0.000 0.840 412 Q CB -0.162 28.573 28.738 -0.006 0.000 0.898 412 Q HN 0.316 nan 8.270 nan 0.000 0.430 413 M N 0.516 120.072 119.600 -0.074 0.000 2.132 413 M HA -0.249 4.231 4.480 0.001 0.000 0.263 413 M C 2.292 178.499 176.300 -0.154 0.000 1.065 413 M CA 1.604 56.838 55.300 -0.110 0.000 1.122 413 M CB -0.020 32.528 32.600 -0.087 0.000 1.365 413 M HN 0.140 nan 8.290 nan 0.000 0.411 414 Q N 0.238 119.965 119.800 -0.122 0.000 2.096 414 Q HA -0.286 4.054 4.340 0.001 0.000 0.204 414 Q C 2.139 178.044 176.000 -0.158 0.000 0.982 414 Q CA 2.173 57.893 55.803 -0.137 0.000 0.850 414 Q CB -0.219 28.466 28.738 -0.090 0.000 0.901 414 Q HN 0.551 nan 8.270 nan 0.000 0.422 415 R N -0.556 119.872 120.500 -0.120 0.000 2.083 415 R HA -0.155 4.185 4.340 0.001 0.000 0.237 415 R C 2.196 178.412 176.300 -0.141 0.000 1.137 415 R CA 1.741 57.779 56.100 -0.105 0.000 0.951 415 R CB -0.186 30.074 30.300 -0.066 0.000 0.851 415 R HN 0.217 nan 8.270 nan 0.000 0.434 416 V N 0.958 120.768 119.914 -0.173 0.000 2.295 416 V HA -0.288 3.832 4.120 0.001 0.000 0.246 416 V C 2.348 178.170 176.094 -0.454 0.000 1.049 416 V CA 2.084 64.256 62.300 -0.213 0.000 1.024 416 V CB -0.430 31.287 31.823 -0.176 0.000 0.648 416 V HN 0.400 nan 8.190 nan 0.000 0.447 417 M N 0.212 119.402 119.600 -0.682 0.000 2.267 417 M HA -0.128 4.352 4.480 0.001 0.000 0.263 417 M C 2.171 178.121 176.300 -0.583 0.000 1.063 417 M CA 1.956 56.561 55.300 -1.159 0.000 1.090 417 M CB -0.533 31.608 32.600 -0.764 0.000 1.392 417 M HN 0.398 nan 8.290 nan 0.000 0.422 418 A N 0.341 122.977 122.820 -0.307 0.000 2.123 418 A HA 0.195 4.516 4.320 0.001 0.000 0.214 418 A C 1.051 178.584 177.584 -0.085 0.000 1.152 418 A CA 0.025 51.971 52.037 -0.152 0.000 0.728 418 A CB -0.435 18.498 19.000 -0.112 0.000 0.814 418 A HN 0.342 nan 8.150 nan 0.000 0.464 419 L N 0.243 121.416 121.223 -0.083 0.000 2.485 419 L HA -0.010 4.330 4.340 0.001 0.000 0.275 419 L C 1.605 178.497 176.870 0.037 0.000 1.207 419 L CA -0.067 54.766 54.840 -0.012 0.000 0.855 419 L CB 0.373 42.437 42.059 0.008 0.000 1.114 419 L HN 0.493 nan 8.230 nan 0.000 0.485 420 E N 1.484 121.702 120.200 0.030 0.000 2.153 420 E HA -0.223 4.128 4.350 0.001 0.000 0.194 420 E C 0.733 177.364 176.600 0.053 0.000 0.988 420 E CA 1.392 57.814 56.400 0.037 0.000 0.811 420 E CB 0.228 29.941 29.700 0.022 0.000 0.746 420 E HN 0.801 nan 8.360 nan 0.000 0.466 421 D N -0.691 119.744 120.400 0.059 0.000 2.491 421 D HA -0.106 4.534 4.640 0.001 0.000 0.228 421 D C -0.310 176.038 176.300 0.079 0.000 1.183 421 D CA -0.550 53.481 54.000 0.052 0.000 0.827 421 D CB -1.000 39.823 40.800 0.037 0.000 0.989 421 D HN 0.248 nan 8.370 nan 0.000 0.494 422 Y N 1.584 121.858 120.300 -0.043 0.000 2.632 422 Y HA 0.103 4.653 4.550 0.001 0.000 0.329 422 Y C -0.152 175.700 175.900 -0.080 0.000 1.174 422 Y CA 0.091 58.149 58.100 -0.070 0.000 1.469 422 Y CB 0.558 38.966 38.460 -0.086 0.000 1.242 422 Y HN -0.091 nan 8.280 nan 0.000 0.540 423 E N 9.127 129.029 120.200 -0.498 0.000 2.255 423 E HA 0.139 4.489 4.350 0.001 0.000 0.245 423 E C -1.890 174.197 176.600 -0.855 0.000 0.909 423 E CA -2.003 54.071 56.400 -0.544 0.000 0.747 423 E CB 1.150 30.722 29.700 -0.213 0.000 1.215 423 E HN 0.612 nan 8.360 nan 0.000 0.424 424 P HA -0.172 nan 4.420 nan 0.000 0.216 424 P C 0.253 176.990 177.300 -0.938 0.000 1.150 424 P CA 1.340 63.631 63.100 -1.349 0.000 0.843 424 P CB 0.108 30.893 31.700 -1.525 0.000 0.787 425 W N -1.320 119.883 121.300 -0.161 0.000 3.123 425 W HA 0.528 5.189 4.660 0.001 0.000 0.383 425 W C 2.017 178.503 176.519 -0.055 0.000 1.102 425 W CA -0.201 57.107 57.345 -0.062 0.000 1.865 425 W CB -0.339 29.175 29.460 0.090 0.000 1.111 425 W HN -0.111 nan 8.180 nan 0.000 0.621 426 A N 0.972 123.820 122.820 0.047 0.000 1.978 426 A HA -0.076 4.244 4.320 0.001 0.000 0.220 426 A C 2.146 179.749 177.584 0.031 0.000 1.170 426 A CA 1.984 54.042 52.037 0.036 0.000 0.636 426 A CB -0.674 18.310 19.000 -0.027 0.000 0.810 426 A HN 0.235 nan 8.150 nan 0.000 0.448 427 A N -1.607 121.220 122.820 0.012 0.000 2.168 427 A HA 0.118 4.439 4.320 0.001 0.000 0.215 427 A C 2.027 179.593 177.584 -0.029 0.000 1.152 427 A CA 1.903 53.936 52.037 -0.007 0.000 0.716 427 A CB -0.433 18.558 19.000 -0.014 0.000 0.794 427 A HN 0.426 nan 8.150 nan 0.000 0.465 428 T N -2.722 111.799 114.554 -0.054 0.000 3.114 428 T HA 0.136 4.487 4.350 0.001 0.000 0.240 428 T C 1.197 175.768 174.700 -0.213 0.000 0.983 428 T CA 0.733 62.689 62.100 -0.240 0.000 1.151 428 T CB -0.155 68.406 68.868 -0.513 0.000 0.974 428 T HN 0.505 nan 8.240 nan 0.000 0.442 429 Y N 1.239 121.576 120.300 0.062 0.000 2.467 429 Y HA 0.451 5.001 4.550 0.001 0.000 0.250 429 Y C 1.457 177.376 175.900 0.032 0.000 1.155 429 Y CA -0.227 57.895 58.100 0.035 0.000 1.249 429 Y CB 0.661 39.143 38.460 0.037 0.000 1.146 429 Y HN 0.448 nan 8.280 nan 0.000 0.524 430 G N 0.784 109.673 108.800 0.148 0.000 2.795 430 G HA2 -0.226 3.735 3.960 0.001 0.000 0.664 430 G HA3 -0.226 3.735 3.960 0.001 0.000 0.664 430 G C -0.312 174.637 174.900 0.082 0.000 1.381 430 G CA -0.287 44.868 45.100 0.092 0.000 0.853 430 G HN 0.241 nan 8.290 nan 0.000 0.545 431 S N 0.000 115.729 115.700 0.049 0.000 2.498 431 S HA 0.000 4.471 4.470 0.001 0.000 0.327 431 S CA 0.000 58.219 58.200 0.032 0.000 1.107 431 S CB 0.000 63.213 63.200 0.022 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517