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 2reh_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 EGGNIGLRRR 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 0.000 175.971 176.094 -0.205 0.000 1.182 2 V CA 0.000 62.198 62.300 -0.170 0.000 1.235 2 V CB 0.000 31.746 31.823 -0.129 0.000 1.184 3 D N 4.354 124.515 120.400 -0.399 0.000 2.927 3 D HA 0.629 5.269 4.640 -0.000 0.000 0.219 3 D C -0.428 175.601 176.300 -0.451 0.000 1.248 3 D CA -0.251 53.589 54.000 -0.267 0.000 0.861 3 D CB 1.785 42.507 40.800 -0.131 0.000 1.677 3 D HN 0.374 nan 8.370 nan 0.000 0.511 4 F N 1.000 120.989 119.950 0.066 0.000 2.728 4 F HA 0.312 4.839 4.527 -0.000 0.000 0.314 4 F C 0.901 176.771 175.800 0.117 0.000 1.094 4 F CA -0.469 57.606 58.000 0.125 0.000 1.217 4 F CB 0.407 39.491 39.000 0.141 0.000 1.056 4 F HN -0.011 nan 8.300 nan 0.000 0.577 5 K N 2.322 122.840 120.400 0.196 0.000 2.436 5 K HA 0.237 4.557 4.320 -0.000 0.000 0.275 5 K C -0.372 176.267 176.600 0.065 0.000 0.999 5 K CA 0.125 56.488 56.287 0.126 0.000 0.980 5 K CB 0.682 33.230 32.500 0.079 0.000 0.919 5 K HN 0.114 nan 8.250 nan 0.000 0.484 6 L N 1.672 122.925 121.223 0.050 0.000 2.357 6 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 6 L C 0.746 177.601 176.870 -0.024 0.000 1.080 6 L CA -0.637 54.187 54.840 -0.026 0.000 0.803 6 L CB 1.456 43.494 42.059 -0.035 0.000 1.174 6 L HN 0.729 nan 8.230 nan 0.000 0.443 7 S N 1.051 116.717 115.700 -0.058 0.000 2.614 7 S HA 0.309 4.779 4.470 -0.000 0.000 0.265 7 S C -1.918 172.679 174.600 -0.005 0.000 1.303 7 S CA -1.101 57.085 58.200 -0.023 0.000 1.000 7 S CB 0.957 64.146 63.200 -0.019 0.000 0.935 7 S HN 0.422 nan 8.310 nan 0.000 0.551 8 P HA -0.124 nan 4.420 nan 0.000 0.217 8 P C 1.413 178.740 177.300 0.046 0.000 1.148 8 P CA 1.633 64.751 63.100 0.029 0.000 0.834 8 P CB -0.215 31.502 31.700 0.028 0.000 0.783 9 S N -1.461 114.284 115.700 0.075 0.000 2.436 9 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 9 S C 1.960 176.666 174.600 0.177 0.000 1.014 9 S CA 0.660 58.947 58.200 0.145 0.000 0.950 9 S CB -0.771 62.559 63.200 0.216 0.000 0.784 9 S HN 0.239 nan 8.310 nan 0.000 0.504 10 Q N 1.084 120.894 119.800 0.017 0.000 2.033 10 Q HA 0.148 4.488 4.340 -0.000 0.000 0.196 10 Q C 2.169 178.137 176.000 -0.053 0.000 0.970 10 Q CA 1.126 56.808 55.803 -0.201 0.000 0.828 10 Q CB -0.427 28.097 28.738 -0.356 0.000 0.895 10 Q HN 0.474 nan 8.270 nan 0.000 0.440 11 L N 0.609 121.828 121.223 -0.007 0.000 2.043 11 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 11 L C 2.419 179.330 176.870 0.069 0.000 1.075 11 L CA 1.346 56.209 54.840 0.039 0.000 0.752 11 L CB -0.423 41.661 42.059 0.042 0.000 0.891 11 L HN 0.252 nan 8.230 nan 0.000 0.432 12 E N 0.616 120.860 120.200 0.074 0.000 2.106 12 E HA -0.172 4.177 4.350 -0.000 0.000 0.192 12 E C 2.137 178.813 176.600 0.127 0.000 0.984 12 E CA 1.312 57.770 56.400 0.097 0.000 0.806 12 E CB -0.099 29.648 29.700 0.077 0.000 0.750 12 E HN 0.351 nan 8.360 nan 0.000 0.458 13 A N 1.038 123.930 122.820 0.120 0.000 1.908 13 A HA -0.224 4.095 4.320 -0.000 0.000 0.218 13 A C 2.320 180.007 177.584 0.173 0.000 1.181 13 A CA 1.813 53.931 52.037 0.136 0.000 0.627 13 A CB -0.639 18.473 19.000 0.186 0.000 0.818 13 A HN 0.280 nan 8.150 nan 0.000 0.445 14 R N -0.660 119.924 120.500 0.140 0.000 2.070 14 R HA -0.139 4.201 4.340 -0.000 0.000 0.233 14 R C 2.545 178.941 176.300 0.159 0.000 1.137 14 R CA 1.519 57.706 56.100 0.146 0.000 0.945 14 R CB -0.347 30.023 30.300 0.116 0.000 0.845 14 R HN 0.553 nan 8.270 nan 0.000 0.430 15 R N -0.363 120.225 120.500 0.147 0.000 2.083 15 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 15 R C 2.202 178.607 176.300 0.175 0.000 1.137 15 R CA 2.355 58.538 56.100 0.138 0.000 0.951 15 R CB -0.623 29.748 30.300 0.119 0.000 0.851 15 R HN 0.473 nan 8.270 nan 0.000 0.434 16 H N -0.244 118.893 119.070 0.113 0.000 2.352 16 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 16 H C 1.836 177.268 175.328 0.174 0.000 1.097 16 H CA 2.257 58.389 56.048 0.140 0.000 1.311 16 H CB -0.094 29.739 29.762 0.119 0.000 1.377 16 H HN 0.390 nan 8.280 nan 0.000 0.504 17 A N 0.373 123.362 122.820 0.281 0.000 1.898 17 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 17 A C 2.309 180.009 177.584 0.193 0.000 1.181 17 A CA 1.501 53.690 52.037 0.254 0.000 0.620 17 A CB -0.522 18.626 19.000 0.247 0.000 0.819 17 A HN 0.636 nan 8.150 nan 0.000 0.442 18 Q N -0.507 119.381 119.800 0.146 0.000 1.993 18 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 18 Q C 2.499 178.537 176.000 0.064 0.000 0.984 18 Q CA 1.516 57.380 55.803 0.101 0.000 0.837 18 Q CB -0.457 28.335 28.738 0.090 0.000 0.902 18 Q HN 0.658 nan 8.270 nan 0.000 0.423 19 A N 0.786 123.642 122.820 0.060 0.000 1.903 19 A HA -0.249 4.070 4.320 -0.000 0.000 0.219 19 A C 1.907 179.496 177.584 0.009 0.000 1.191 19 A CA 1.755 53.812 52.037 0.033 0.000 0.638 19 A CB -0.985 18.041 19.000 0.043 0.000 0.823 19 A HN 0.510 nan 8.150 nan 0.000 0.451 20 F N 0.625 120.470 119.950 -0.175 0.000 2.234 20 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 20 F C 2.383 178.101 175.800 -0.136 0.000 1.087 20 F CA 1.020 58.861 58.000 -0.266 0.000 1.340 20 F CB -0.267 38.484 39.000 -0.414 0.000 1.031 20 F HN 0.244 nan 8.300 nan 0.000 0.500 21 A N 0.419 123.164 122.820 -0.125 0.000 1.897 21 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 21 A C 1.954 179.418 177.584 -0.200 0.000 1.181 21 A CA 1.742 53.665 52.037 -0.190 0.000 0.620 21 A CB -1.036 17.961 19.000 -0.004 0.000 0.821 21 A HN 0.552 nan 8.150 nan 0.000 0.443 22 N N -0.345 118.286 118.700 -0.115 0.000 2.084 22 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 22 N C 1.915 177.360 175.510 -0.108 0.000 1.030 22 N CA 2.107 55.104 53.050 -0.088 0.000 0.849 22 N CB -0.280 38.183 38.487 -0.039 0.000 1.012 22 N HN 0.654 nan 8.380 nan 0.000 0.423 23 T N -2.199 112.281 114.554 -0.123 0.000 3.014 23 T HA 0.090 4.440 4.350 -0.000 0.000 0.263 23 T C 1.711 176.332 174.700 -0.131 0.000 1.078 23 T CA 0.590 62.635 62.100 -0.092 0.000 1.135 23 T CB -0.104 68.742 68.868 -0.037 0.000 0.895 23 T HN -0.056 nan 8.240 nan 0.000 0.480 24 V N 0.180 119.916 119.914 -0.297 0.000 2.743 24 V HA 0.266 4.386 4.120 -0.000 0.000 0.237 24 V C 2.373 178.375 176.094 -0.153 0.000 1.113 24 V CA 0.139 62.272 62.300 -0.278 0.000 1.141 24 V CB -0.228 31.195 31.823 -0.666 0.000 0.873 24 V HN 0.243 nan 8.190 nan 0.000 0.486 25 L N 1.384 122.377 121.223 -0.384 0.000 2.109 25 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 25 L C 2.770 179.501 176.870 -0.232 0.000 1.086 25 L CA 2.602 57.271 54.840 -0.284 0.000 0.760 25 L CB -1.498 40.397 42.059 -0.274 0.000 0.910 25 L HN 0.627 nan 8.230 nan 0.000 0.437 26 T N -3.719 110.732 114.554 -0.171 0.000 3.025 26 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 26 T C 1.617 176.234 174.700 -0.139 0.000 1.126 26 T CA 0.940 62.958 62.100 -0.138 0.000 1.105 26 T CB -0.299 68.509 68.868 -0.100 0.000 0.884 26 T HN 0.283 nan 8.240 nan 0.000 0.522 27 K N 0.523 120.861 120.400 -0.103 0.000 2.404 27 K HA 0.449 4.768 4.320 -0.000 0.000 0.194 27 K C 2.394 178.885 176.600 -0.182 0.000 1.023 27 K CA 0.409 56.683 56.287 -0.021 0.000 1.094 27 K CB 0.059 32.675 32.500 0.194 0.000 0.841 27 K HN 0.424 nan 8.250 nan 0.000 0.523 28 A N 0.824 123.288 122.820 -0.594 0.000 1.903 28 A HA -0.096 4.223 4.320 -0.000 0.000 0.213 28 A C 2.171 179.337 177.584 -0.696 0.000 1.185 28 A CA 1.319 52.740 52.037 -1.026 0.000 0.628 28 A CB -0.556 17.806 19.000 -1.064 0.000 0.830 28 A HN 0.201 nan 8.150 nan 0.000 0.446 29 S N 0.082 115.302 115.700 -0.801 0.000 2.381 29 S HA -0.254 4.215 4.470 -0.000 0.000 0.230 29 S C 2.132 176.288 174.600 -0.739 0.000 1.052 29 S CA 2.041 59.530 58.200 -1.185 0.000 1.068 29 S CB -0.507 62.351 63.200 -0.570 0.000 0.918 29 S HN 0.912 nan 8.310 nan 0.000 0.448 30 A N 0.805 123.388 122.820 -0.395 0.000 2.024 30 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 30 A C 2.075 179.561 177.584 -0.163 0.000 1.164 30 A CA 1.629 53.537 52.037 -0.215 0.000 0.643 30 A CB -0.370 18.561 19.000 -0.115 0.000 0.806 30 A HN 0.609 nan 8.150 nan 0.000 0.451 31 E N -1.046 119.055 120.200 -0.165 0.000 2.127 31 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 31 E C 1.912 178.514 176.600 0.003 0.000 0.964 31 E CA 1.406 57.792 56.400 -0.023 0.000 0.832 31 E CB -0.670 29.110 29.700 0.133 0.000 0.790 31 E HN 0.956 nan 8.360 nan 0.000 0.465 32 Y N 0.169 120.461 120.300 -0.012 0.000 2.337 32 Y HA 0.196 4.746 4.550 -0.000 0.000 0.293 32 Y C 2.275 178.173 175.900 -0.002 0.000 1.123 32 Y CA 0.769 58.870 58.100 0.002 0.000 1.201 32 Y CB -0.414 38.045 38.460 -0.001 0.000 1.011 32 Y HN -0.216 nan 8.280 nan 0.000 0.545 33 S N 0.567 116.200 115.700 -0.112 0.000 2.419 33 S HA -0.172 4.297 4.470 -0.000 0.000 0.235 33 S C 1.780 176.388 174.600 0.014 0.000 1.019 33 S CA 1.813 59.996 58.200 -0.028 0.000 0.982 33 S CB -0.730 62.377 63.200 -0.154 0.000 0.789 33 S HN 0.789 nan 8.310 nan 0.000 0.490 34 T N -0.281 114.274 114.554 0.003 0.000 3.219 34 T HA 0.202 4.552 4.350 -0.000 0.000 0.249 34 T C 0.344 175.064 174.700 0.033 0.000 1.099 34 T CA -0.189 61.916 62.100 0.008 0.000 0.988 34 T CB 0.044 68.909 68.868 -0.006 0.000 0.999 34 T HN 0.150 nan 8.240 nan 0.000 0.550 35 Q N 1.234 121.071 119.800 0.062 0.000 2.297 35 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 35 Q C 0.438 176.475 176.000 0.062 0.000 1.045 35 Q CA -0.627 55.216 55.803 0.066 0.000 0.861 35 Q CB 2.262 31.055 28.738 0.091 0.000 1.344 35 Q HN 0.512 nan 8.270 nan 0.000 0.452 36 K N -0.685 119.745 120.400 0.050 0.000 2.352 36 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 36 K C -0.064 176.562 176.600 0.044 0.000 1.038 36 K CA 0.493 56.805 56.287 0.041 0.000 1.023 36 K CB 0.362 32.881 32.500 0.031 0.000 0.840 36 K HN 0.517 nan 8.250 nan 0.000 0.519 37 D N -0.865 119.567 120.400 0.053 0.000 2.596 37 D HA 0.068 4.708 4.640 -0.000 0.000 0.234 37 D C 0.445 176.787 176.300 0.070 0.000 1.181 37 D CA -0.732 53.300 54.000 0.054 0.000 0.856 37 D CB 1.134 41.963 40.800 0.048 0.000 1.498 37 D HN -0.249 nan 8.370 nan 0.000 0.446 38 Q N 0.005 119.846 119.800 0.068 0.000 2.082 38 Q HA -0.163 4.177 4.340 -0.000 0.000 0.211 38 Q C 1.779 177.855 176.000 0.127 0.000 1.002 38 Q CA 1.463 57.313 55.803 0.079 0.000 0.868 38 Q CB -0.436 28.340 28.738 0.063 0.000 0.931 38 Q HN 0.605 nan 8.270 nan 0.000 0.414 39 L N 0.640 121.937 121.223 0.123 0.000 2.046 39 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 39 L C 2.240 179.197 176.870 0.146 0.000 1.077 39 L CA 1.843 56.769 54.840 0.142 0.000 0.747 39 L CB -0.778 41.291 42.059 0.017 0.000 0.896 39 L HN 0.037 nan 8.230 nan 0.000 0.432 40 S N -0.535 115.222 115.700 0.095 0.000 2.368 40 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 40 S C 1.997 176.672 174.600 0.126 0.000 1.030 40 S CA 1.309 59.560 58.200 0.085 0.000 0.999 40 S CB -0.264 62.976 63.200 0.067 0.000 0.844 40 S HN 0.468 nan 8.310 nan 0.000 0.459 41 R N -0.389 120.200 120.500 0.149 0.000 2.092 41 R HA -0.025 4.314 4.340 -0.000 0.000 0.231 41 R C 2.074 178.507 176.300 0.221 0.000 1.119 41 R CA 1.208 57.412 56.100 0.173 0.000 0.970 41 R CB -0.401 29.971 30.300 0.120 0.000 0.864 41 R HN 0.410 nan 8.270 nan 0.000 0.440 42 F N 2.276 122.279 119.950 0.088 0.000 2.084 42 F HA -0.169 4.358 4.527 -0.000 0.000 0.296 42 F C 2.129 178.102 175.800 0.288 0.000 1.111 42 F CA 1.534 59.622 58.000 0.147 0.000 1.224 42 F CB -0.464 38.591 39.000 0.091 0.000 0.991 42 F HN -0.100 nan 8.300 nan 0.000 0.471 43 Q N 0.207 120.049 119.800 0.069 0.000 2.152 43 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 43 Q C 2.288 178.279 176.000 -0.016 0.000 0.985 43 Q CA 1.745 57.534 55.803 -0.023 0.000 0.863 43 Q CB -0.600 28.136 28.738 -0.003 0.000 0.904 43 Q HN 0.539 nan 8.270 nan 0.000 0.422 44 A N -0.158 122.712 122.820 0.084 0.000 2.121 44 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 44 A C 2.042 179.757 177.584 0.219 0.000 1.154 44 A CA 1.424 53.538 52.037 0.129 0.000 0.679 44 A CB -0.332 18.773 19.000 0.174 0.000 0.795 44 A HN 0.252 nan 8.150 nan 0.000 0.458 45 T N -1.445 113.247 114.554 0.230 0.000 3.067 45 T HA 0.022 4.372 4.350 -0.000 0.000 0.257 45 T C 1.905 176.804 174.700 0.331 0.000 1.105 45 T CA 0.569 62.892 62.100 0.372 0.000 1.104 45 T CB -0.270 68.808 68.868 0.349 0.000 0.925 45 T HN 0.570 nan 8.240 nan 0.000 0.498 46 R N 1.235 121.678 120.500 -0.095 0.000 2.113 46 R HA -0.122 4.218 4.340 -0.000 0.000 0.244 46 R C -0.977 175.164 176.300 -0.265 0.000 1.142 46 R CA 1.881 57.584 56.100 -0.663 0.000 0.953 46 R CB -0.914 28.707 30.300 -1.132 0.000 0.860 46 R HN 0.302 nan 8.270 nan 0.000 0.438 47 P HA -0.133 nan 4.420 nan 0.000 0.219 47 P C 0.470 177.590 177.300 -0.301 0.000 1.146 47 P CA 1.350 64.281 63.100 -0.282 0.000 0.808 47 P CB -0.027 31.407 31.700 -0.443 0.000 0.779 48 F N -3.413 116.601 119.950 0.106 0.000 2.270 48 F HA -0.019 4.508 4.527 -0.000 0.000 0.295 48 F C 2.393 178.377 175.800 0.307 0.000 1.087 48 F CA 0.656 58.765 58.000 0.182 0.000 1.365 48 F CB -1.244 37.852 39.000 0.159 0.000 1.056 48 F HN -0.156 nan 8.300 nan 0.000 0.506 49 Y N 1.395 121.917 120.300 0.370 0.000 2.128 49 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 49 Y C 2.782 178.821 175.900 0.230 0.000 1.154 49 Y CA 1.938 60.254 58.100 0.360 0.000 1.149 49 Y CB -0.309 38.479 38.460 0.546 0.000 0.976 49 Y HN -0.081 nan 8.280 nan 0.000 0.505 50 R N 0.777 121.408 120.500 0.218 0.000 2.096 50 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 50 R C 1.967 178.307 176.300 0.066 0.000 1.139 50 R CA 2.120 58.268 56.100 0.079 0.000 0.952 50 R CB -0.563 29.724 30.300 -0.022 0.000 0.854 50 R HN 0.248 nan 8.270 nan 0.000 0.436 51 E N 0.093 120.358 120.200 0.108 0.000 2.153 51 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 51 E C 1.852 178.615 176.600 0.272 0.000 0.988 51 E CA 1.333 57.868 56.400 0.225 0.000 0.811 51 E CB -0.315 29.552 29.700 0.278 0.000 0.746 51 E HN 0.509 nan 8.360 nan 0.000 0.466 52 A N 0.773 123.676 122.820 0.139 0.000 1.873 52 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 52 A C 2.605 180.087 177.584 -0.170 0.000 1.186 52 A CA 1.360 53.278 52.037 -0.199 0.000 0.616 52 A CB -0.666 18.227 19.000 -0.178 0.000 0.823 52 A HN 0.134 nan 8.150 nan 0.000 0.442 53 V N 0.123 119.947 119.914 -0.149 0.000 2.287 53 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 53 V C 2.637 178.721 176.094 -0.017 0.000 1.053 53 V CA 2.343 64.589 62.300 -0.091 0.000 1.027 53 V CB -0.807 30.980 31.823 -0.060 0.000 0.646 53 V HN 0.623 nan 8.190 nan 0.000 0.447 54 R N -1.055 119.462 120.500 0.027 0.000 2.159 54 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 54 R C 2.054 178.360 176.300 0.011 0.000 1.131 54 R CA 1.609 57.727 56.100 0.030 0.000 0.982 54 R CB -0.164 30.174 30.300 0.063 0.000 0.868 54 R HN 0.626 nan 8.270 nan 0.000 0.453 55 H N -2.117 116.932 119.070 -0.036 0.000 2.553 55 H HA 0.176 4.731 4.556 -0.000 0.000 0.265 55 H C 1.013 176.349 175.328 0.014 0.000 0.964 55 H CA 0.933 56.982 56.048 0.001 0.000 1.156 55 H CB 1.091 30.764 29.762 -0.149 0.000 1.411 55 H HN 0.495 nan 8.280 nan 0.000 0.558 56 G N -0.156 108.665 108.800 0.035 0.000 2.179 56 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 56 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 56 G C 1.071 175.947 174.900 -0.041 0.000 0.990 56 G CA 0.333 45.422 45.100 -0.019 0.000 0.646 56 G HN 0.354 nan 8.290 nan 0.000 0.517 57 L N -0.235 120.946 121.223 -0.069 0.000 2.291 57 L HA 0.161 4.501 4.340 -0.000 0.000 0.214 57 L C 2.593 179.435 176.870 -0.047 0.000 1.120 57 L CA 0.807 55.596 54.840 -0.086 0.000 0.799 57 L CB -0.247 41.692 42.059 -0.200 0.000 0.925 57 L HN 0.300 nan 8.230 nan 0.000 0.446 58 I N -0.510 120.033 120.570 -0.045 0.000 2.584 58 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 58 I C 2.435 178.590 176.117 0.064 0.000 1.145 58 I CA 1.183 62.500 61.300 0.029 0.000 1.462 58 I CB -0.306 37.728 38.000 0.056 0.000 1.102 58 I HN 0.076 nan 8.210 nan 0.000 0.433 59 K N 0.905 121.325 120.400 0.033 0.000 2.155 59 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 59 K C 1.916 178.522 176.600 0.010 0.000 1.052 59 K CA 1.098 57.406 56.287 0.036 0.000 0.948 59 K CB -0.040 32.467 32.500 0.011 0.000 0.728 59 K HN 0.274 nan 8.250 nan 0.000 0.448 60 A N 0.625 123.438 122.820 -0.012 0.000 2.239 60 A HA -0.045 4.275 4.320 -0.000 0.000 0.209 60 A C 1.279 178.859 177.584 -0.006 0.000 1.171 60 A CA 0.581 52.603 52.037 -0.026 0.000 0.768 60 A CB -0.059 18.910 19.000 -0.050 0.000 0.790 60 A HN 0.271 nan 8.150 nan 0.000 0.478 61 Q N -0.677 119.131 119.800 0.012 0.000 2.403 61 Q HA 0.173 4.512 4.340 -0.000 0.000 0.203 61 Q C -0.197 175.798 176.000 -0.008 0.000 0.932 61 Q CA 0.442 56.252 55.803 0.011 0.000 0.945 61 Q CB 0.145 28.899 28.738 0.026 0.000 1.045 61 Q HN 0.364 nan 8.270 nan 0.000 0.511 62 V N 2.311 122.223 119.914 -0.003 0.000 2.495 62 V HA 0.334 4.454 4.120 -0.000 0.000 0.298 62 V C -2.381 173.703 176.094 -0.016 0.000 1.031 62 V CA -2.329 59.967 62.300 -0.005 0.000 0.871 62 V CB 1.929 33.766 31.823 0.023 0.000 0.988 62 V HN -0.060 nan 8.190 nan 0.000 0.432 63 P HA 0.200 nan 4.420 nan 0.000 0.266 63 P C 1.169 178.453 177.300 -0.026 0.000 1.195 63 P CA 0.189 63.272 63.100 -0.027 0.000 0.768 63 P CB 0.648 32.333 31.700 -0.025 0.000 0.838 64 I N 5.474 126.021 120.570 -0.038 0.000 2.113 64 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 64 I C -0.371 175.732 176.117 -0.023 0.000 1.057 64 I CA 2.124 63.403 61.300 -0.036 0.000 1.314 64 I CB -1.655 36.315 38.000 -0.050 0.000 1.022 64 I HN 0.496 nan 8.210 nan 0.000 0.408 65 P HA -0.096 nan 4.420 nan 0.000 0.226 65 P C 1.247 178.543 177.300 -0.007 0.000 1.153 65 P CA 1.204 64.295 63.100 -0.014 0.000 0.777 65 P CB 0.042 31.733 31.700 -0.014 0.000 0.794 66 L N -1.248 119.972 121.223 -0.005 0.000 2.653 66 L HA 0.401 4.741 4.340 -0.000 0.000 0.231 66 L C 1.689 178.566 176.870 0.012 0.000 1.153 66 L CA 0.884 55.727 54.840 0.005 0.000 0.933 66 L CB -0.746 41.316 42.059 0.004 0.000 1.175 66 L HN 0.129 nan 8.230 nan 0.000 0.473 67 G N -1.765 107.038 108.800 0.004 0.000 2.194 67 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 67 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 67 G C 0.746 175.650 174.900 0.006 0.000 0.987 67 G CA -0.109 44.995 45.100 0.007 0.000 0.635 67 G HN 0.600 nan 8.290 nan 0.000 0.520 68 G N -0.756 108.046 108.800 0.003 0.000 2.509 68 G HA2 0.577 4.537 3.960 -0.000 0.000 0.269 68 G HA3 0.577 4.537 3.960 -0.000 0.000 0.269 68 G C 1.036 175.921 174.900 -0.024 0.000 1.416 68 G CA 1.266 46.365 45.100 -0.000 0.000 1.052 68 G HN 1.236 nan 8.290 nan 0.000 0.542 69 T N -2.861 111.671 114.554 -0.037 0.000 3.111 69 T HA 0.304 4.654 4.350 -0.000 0.000 0.284 69 T C 0.924 175.567 174.700 -0.094 0.000 0.983 69 T CA -0.211 61.849 62.100 -0.066 0.000 0.900 69 T CB -0.179 68.645 68.868 -0.072 0.000 1.132 69 T HN 0.373 nan 8.240 nan 0.000 0.531 70 M N 2.513 122.069 119.600 -0.075 0.000 2.390 70 M HA 0.142 4.622 4.480 -0.000 0.000 0.353 70 M C 0.820 177.037 176.300 -0.139 0.000 1.623 70 M CA 0.569 55.817 55.300 -0.088 0.000 1.065 70 M CB 0.484 33.055 32.600 -0.048 0.000 2.025 70 M HN 0.199 nan 8.290 nan 0.000 0.461 71 E N 2.354 122.403 120.200 -0.252 0.000 2.190 71 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 71 E C 0.106 176.561 176.600 -0.241 0.000 0.978 71 E CA 0.621 56.775 56.400 -0.410 0.000 0.839 71 E CB 0.324 29.427 29.700 -0.996 0.000 0.787 71 E HN 0.850 nan 8.360 nan 0.000 0.473 72 S N -1.548 114.102 115.700 -0.084 0.000 2.707 72 S HA 0.115 4.584 4.470 -0.000 0.000 0.270 72 S C -0.175 174.468 174.600 0.073 0.000 1.031 72 S CA -0.823 57.415 58.200 0.064 0.000 0.866 72 S CB -0.016 63.296 63.200 0.186 0.000 1.114 72 S HN 0.054 nan 8.310 nan 0.000 0.465 73 L N 1.426 122.665 121.223 0.027 0.000 2.375 73 L HA 0.154 4.494 4.340 -0.000 0.000 0.215 73 L C 2.300 179.156 176.870 -0.024 0.000 1.108 73 L CA 0.507 55.355 54.840 0.013 0.000 0.830 73 L CB -0.349 41.718 42.059 0.012 0.000 0.959 73 L HN 0.675 nan 8.230 nan 0.000 0.457 74 V N -0.399 119.449 119.914 -0.109 0.000 2.343 74 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 74 V C 2.298 178.239 176.094 -0.255 0.000 1.051 74 V CA 1.861 63.967 62.300 -0.323 0.000 1.036 74 V CB -0.647 30.839 31.823 -0.561 0.000 0.654 74 V HN 0.451 nan 8.190 nan 0.000 0.451 75 H N -0.157 118.815 119.070 -0.162 0.000 2.319 75 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 75 H C 2.335 177.642 175.328 -0.036 0.000 1.092 75 H CA 2.005 57.996 56.048 -0.095 0.000 1.302 75 H CB -0.052 29.666 29.762 -0.073 0.000 1.373 75 H HN 0.427 nan 8.280 nan 0.000 0.497 76 E N 0.240 120.505 120.200 0.109 0.000 2.118 76 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 76 E C 2.243 178.898 176.600 0.091 0.000 0.992 76 E CA 1.552 58.002 56.400 0.084 0.000 0.804 76 E CB -0.144 29.590 29.700 0.057 0.000 0.741 76 E HN 0.266 nan 8.360 nan 0.000 0.458 77 S N -0.302 115.443 115.700 0.075 0.000 2.345 77 S HA -0.085 4.384 4.470 -0.000 0.000 0.220 77 S C 1.947 176.663 174.600 0.193 0.000 1.031 77 S CA 1.176 59.459 58.200 0.139 0.000 0.996 77 S CB -0.352 62.965 63.200 0.195 0.000 0.882 77 S HN 0.298 nan 8.310 nan 0.000 0.445 78 I N 1.394 122.063 120.570 0.165 0.000 2.145 78 I HA -0.260 3.909 4.170 -0.000 0.000 0.244 78 I C 2.050 178.275 176.117 0.180 0.000 1.075 78 I CA 1.415 62.828 61.300 0.188 0.000 1.332 78 I CB -0.435 37.610 38.000 0.075 0.000 1.033 78 I HN 0.268 nan 8.210 nan 0.000 0.410 79 I N 0.164 120.831 120.570 0.161 0.000 2.202 79 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 79 I C 2.448 178.700 176.117 0.225 0.000 1.091 79 I CA 1.399 62.810 61.300 0.185 0.000 1.368 79 I CB -0.310 37.788 38.000 0.164 0.000 1.058 79 I HN 0.186 nan 8.210 nan 0.000 0.410 80 L N 0.272 121.629 121.223 0.223 0.000 1.994 80 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 80 L C 1.557 178.628 176.870 0.335 0.000 1.071 80 L CA 0.873 55.895 54.840 0.303 0.000 0.745 80 L CB -0.651 41.507 42.059 0.166 0.000 0.892 80 L HN 0.325 nan 8.230 nan 0.000 0.431 81 E N 0.077 120.405 120.200 0.213 0.000 2.436 81 E HA -0.136 4.214 4.350 -0.000 0.000 0.262 81 E C 0.378 177.116 176.600 0.231 0.000 1.063 81 E CA 0.171 56.692 56.400 0.202 0.000 0.944 81 E CB 0.604 30.404 29.700 0.166 0.000 0.950 81 E HN 0.180 nan 8.360 nan 0.000 0.444 82 E N 0.749 121.076 120.200 0.211 0.000 3.968 82 E HA -0.251 4.098 4.350 -0.000 0.000 0.170 82 E C 1.131 177.844 176.600 0.189 0.000 1.077 82 E CA 1.562 58.074 56.400 0.186 0.000 2.595 82 E CB -1.495 28.318 29.700 0.187 0.000 1.641 82 E HN 0.506 nan 8.360 nan 0.000 0.542 83 L N 0.317 121.683 121.223 0.239 0.000 2.027 83 L HA 0.046 4.386 4.340 -0.000 0.000 0.206 83 L C 2.456 179.388 176.870 0.103 0.000 1.074 83 L CA 1.982 56.935 54.840 0.187 0.000 0.745 83 L CB -0.581 41.617 42.059 0.232 0.000 0.898 83 L HN 0.189 nan 8.230 nan 0.000 0.433 84 F N -0.976 119.055 119.950 0.135 0.000 2.456 84 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 84 F C 2.279 178.147 175.800 0.114 0.000 1.104 84 F CA 0.675 58.757 58.000 0.137 0.000 1.435 84 F CB -0.613 38.470 39.000 0.138 0.000 1.078 84 F HN 0.021 nan 8.300 nan 0.000 0.546 85 A N -0.893 122.070 122.820 0.238 0.000 2.209 85 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 85 A C 1.906 179.537 177.584 0.079 0.000 1.158 85 A CA 1.395 53.522 52.037 0.150 0.000 0.742 85 A CB -0.501 18.580 19.000 0.136 0.000 0.790 85 A HN 0.216 nan 8.150 nan 0.000 0.472 86 V N -1.577 118.369 119.914 0.054 0.000 3.134 86 V HA 0.225 4.345 4.120 -0.000 0.000 0.222 86 V C -0.022 176.056 176.094 -0.027 0.000 1.247 86 V CA 0.922 63.223 62.300 0.001 0.000 1.281 86 V CB 0.660 32.476 31.823 -0.011 0.000 1.169 86 V HN 0.472 nan 8.190 nan 0.000 0.512 87 E N -0.227 119.941 120.200 -0.053 0.000 2.378 87 E HA 0.350 4.699 4.350 -0.000 0.000 0.282 87 E C -2.513 173.975 176.600 -0.187 0.000 0.910 87 E CA -1.653 54.700 56.400 -0.079 0.000 0.816 87 E CB 2.087 31.744 29.700 -0.072 0.000 1.359 87 E HN 0.058 nan 8.360 nan 0.000 0.397 88 P HA -0.006 nan 4.420 nan 0.000 0.222 88 P C -0.142 177.060 177.300 -0.162 0.000 1.147 88 P CA 0.881 63.784 63.100 -0.329 0.000 0.790 88 P CB 0.181 31.933 31.700 0.087 0.000 0.780 89 A N -0.860 121.901 122.820 -0.099 0.000 2.462 89 A HA 0.314 4.634 4.320 -0.000 0.000 0.243 89 A C 1.357 178.968 177.584 0.045 0.000 1.076 89 A CA 1.083 53.083 52.037 -0.062 0.000 0.773 89 A CB -0.814 18.079 19.000 -0.179 0.000 1.010 89 A HN 0.204 nan 8.150 nan 0.000 0.493 90 T N 1.363 116.028 114.554 0.185 0.000 12.481 90 T HA -0.311 4.039 4.350 -0.000 0.000 0.418 90 T C 1.897 176.778 174.700 0.303 0.000 1.450 90 T CA 2.355 64.665 62.100 0.349 0.000 2.393 90 T CB -1.853 67.268 68.868 0.420 0.000 2.837 90 T HN 0.932 nan 8.240 nan 0.000 0.792 91 S N 0.650 116.422 115.700 0.120 0.000 2.389 91 S HA -0.158 4.311 4.470 -0.000 0.000 0.231 91 S C 1.774 176.484 174.600 0.182 0.000 1.052 91 S CA 1.943 60.150 58.200 0.012 0.000 1.053 91 S CB -0.373 62.509 63.200 -0.529 0.000 0.886 91 S HN 0.608 nan 8.310 nan 0.000 0.456 92 I N 1.162 121.840 120.570 0.180 0.000 2.761 92 I HA -0.092 4.078 4.170 -0.000 0.000 0.261 92 I C 1.950 178.236 176.117 0.281 0.000 1.198 92 I CA 1.131 62.643 61.300 0.352 0.000 1.482 92 I CB -0.366 37.794 38.000 0.267 0.000 1.100 92 I HN 0.163 nan 8.210 nan 0.000 0.445 93 T N 0.897 115.630 114.554 0.297 0.000 2.770 93 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 93 T C 1.929 176.877 174.700 0.413 0.000 1.039 93 T CA 1.941 64.226 62.100 0.308 0.000 1.142 93 T CB -0.356 68.731 68.868 0.363 0.000 0.868 93 T HN 0.278 nan 8.240 nan 0.000 0.435 94 I N 1.996 122.858 120.570 0.487 0.000 2.091 94 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 94 I C 2.764 179.035 176.117 0.257 0.000 1.061 94 I CA 1.560 63.084 61.300 0.373 0.000 1.317 94 I CB -0.847 37.309 38.000 0.260 0.000 1.031 94 I HN 0.177 nan 8.210 nan 0.000 0.401 95 V N -0.393 119.675 119.914 0.256 0.000 2.407 95 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 95 V C 2.535 178.700 176.094 0.120 0.000 1.055 95 V CA 1.665 64.075 62.300 0.183 0.000 1.049 95 V CB -1.377 30.572 31.823 0.209 0.000 0.662 95 V HN 0.365 nan 8.190 nan 0.000 0.455 96 A N 0.078 122.983 122.820 0.142 0.000 2.019 96 A HA -0.115 4.204 4.320 -0.000 0.000 0.219 96 A C 2.300 179.903 177.584 0.031 0.000 1.164 96 A CA 2.331 54.410 52.037 0.069 0.000 0.644 96 A CB -1.100 17.938 19.000 0.063 0.000 0.805 96 A HN 0.576 nan 8.150 nan 0.000 0.449 97 T N -0.295 114.312 114.554 0.087 0.000 2.851 97 T HA 0.119 4.469 4.350 -0.000 0.000 0.262 97 T C 2.281 176.941 174.700 -0.066 0.000 1.043 97 T CA 1.179 63.308 62.100 0.047 0.000 1.140 97 T CB -0.330 68.683 68.868 0.242 0.000 0.872 97 T HN 0.575 nan 8.240 nan 0.000 0.446 98 A N 1.670 124.482 122.820 -0.014 0.000 1.873 98 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 98 A C 2.282 179.795 177.584 -0.118 0.000 1.193 98 A CA 1.329 53.331 52.037 -0.058 0.000 0.629 98 A CB -1.055 17.942 19.000 -0.006 0.000 0.826 98 A HN 0.468 nan 8.150 nan 0.000 0.447 99 L N -0.680 120.470 121.223 -0.122 0.000 2.042 99 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 99 L C 2.537 179.269 176.870 -0.231 0.000 1.076 99 L CA 1.850 56.566 54.840 -0.207 0.000 0.749 99 L CB -0.842 41.084 42.059 -0.221 0.000 0.893 99 L HN 0.501 nan 8.230 nan 0.000 0.432 100 G N -0.542 108.147 108.800 -0.185 0.000 2.443 100 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 100 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 100 G C 1.501 176.256 174.900 -0.242 0.000 1.131 100 G CA 0.264 45.248 45.100 -0.193 0.000 0.775 100 G HN 0.370 nan 8.290 nan 0.000 0.547 101 L N -0.415 120.643 121.223 -0.276 0.000 2.558 101 L HA 0.249 4.588 4.340 -0.000 0.000 0.225 101 L C 2.708 179.459 176.870 -0.200 0.000 1.128 101 L CA -0.026 54.642 54.840 -0.286 0.000 0.868 101 L CB -0.145 41.721 42.059 -0.321 0.000 1.006 101 L HN 0.241 nan 8.230 nan 0.000 0.454 102 M N 0.318 119.800 119.600 -0.196 0.000 2.123 102 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 102 M C -0.519 175.681 176.300 -0.166 0.000 1.069 102 M CA 2.023 57.220 55.300 -0.172 0.000 1.133 102 M CB -0.732 31.752 32.600 -0.193 0.000 1.356 102 M HN 0.023 nan 8.290 nan 0.000 0.415 103 P HA -0.081 nan 4.420 nan 0.000 0.225 103 P C 1.296 178.508 177.300 -0.147 0.000 1.148 103 P CA 1.045 64.045 63.100 -0.167 0.000 0.779 103 P CB -0.082 31.513 31.700 -0.176 0.000 0.780 104 V N -0.259 119.567 119.914 -0.146 0.000 2.302 104 V HA -0.174 3.946 4.120 -0.000 0.000 0.243 104 V C 2.373 178.422 176.094 -0.074 0.000 1.036 104 V CA 1.244 63.478 62.300 -0.109 0.000 1.020 104 V CB -1.103 30.662 31.823 -0.096 0.000 0.657 104 V HN 0.001 nan 8.190 nan 0.000 0.453 105 I N 0.006 120.530 120.570 -0.078 0.000 2.182 105 I HA -0.343 3.826 4.170 -0.000 0.000 0.248 105 I C 2.136 178.215 176.117 -0.063 0.000 1.073 105 I CA 1.917 63.179 61.300 -0.062 0.000 1.335 105 I CB -0.301 37.656 38.000 -0.071 0.000 1.031 105 I HN 0.283 nan 8.210 nan 0.000 0.420 106 L N -0.129 121.043 121.223 -0.084 0.000 2.513 106 L HA 0.065 4.404 4.340 -0.000 0.000 0.222 106 L C 1.688 178.504 176.870 -0.089 0.000 1.096 106 L CA -0.440 54.346 54.840 -0.090 0.000 0.857 106 L CB -0.199 41.791 42.059 -0.114 0.000 1.026 106 L HN 0.487 nan 8.230 nan 0.000 0.469 107 C N 0.026 119.275 119.300 -0.085 0.000 2.705 107 C HA 0.099 4.559 4.460 -0.000 0.000 0.348 107 C C 1.195 176.153 174.990 -0.054 0.000 1.386 107 C CA -0.296 58.676 59.018 -0.076 0.000 2.361 107 C CB 0.311 28.003 27.740 -0.079 0.000 2.486 107 C HN 0.528 nan 8.230 nan 0.000 0.728 108 D N -0.012 120.361 120.400 -0.046 0.000 2.440 108 D HA 0.160 4.800 4.640 -0.000 0.000 0.216 108 D C 0.173 176.462 176.300 -0.018 0.000 1.150 108 D CA 0.194 54.175 54.000 -0.032 0.000 0.832 108 D CB -0.324 40.455 40.800 -0.036 0.000 0.992 108 D HN 0.501 nan 8.370 nan 0.000 0.502 109 S N 1.270 116.963 115.700 -0.013 0.000 2.474 109 S HA 0.350 4.820 4.470 -0.000 0.000 0.320 109 S C -1.818 172.793 174.600 0.018 0.000 1.067 109 S CA -1.480 56.723 58.200 0.004 0.000 1.127 109 S CB 1.271 64.476 63.200 0.007 0.000 0.971 109 S HN -0.251 nan 8.310 nan 0.000 0.472 110 P HA -0.134 nan 4.420 nan 0.000 0.218 110 P C 1.592 178.913 177.300 0.034 0.000 1.148 110 P CA 1.152 64.265 63.100 0.022 0.000 0.822 110 P CB 0.013 31.721 31.700 0.014 0.000 0.784 111 S N -1.310 114.412 115.700 0.037 0.000 2.383 111 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 111 S C 1.865 176.511 174.600 0.077 0.000 1.026 111 S CA 0.807 59.033 58.200 0.043 0.000 0.981 111 S CB -1.437 61.785 63.200 0.037 0.000 0.818 111 S HN -0.018 nan 8.310 nan 0.000 0.472 112 L N 1.799 123.090 121.223 0.114 0.000 2.044 112 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 112 L C 2.776 179.798 176.870 0.253 0.000 1.075 112 L CA 1.684 56.663 54.840 0.231 0.000 0.747 112 L CB -0.987 41.168 42.059 0.160 0.000 0.903 112 L HN 0.340 nan 8.230 nan 0.000 0.435 113 Q N -0.770 119.109 119.800 0.132 0.000 2.014 113 Q HA -0.292 4.048 4.340 -0.000 0.000 0.207 113 Q C 2.126 178.192 176.000 0.109 0.000 0.993 113 Q CA 1.959 57.826 55.803 0.107 0.000 0.850 113 Q CB -0.504 28.264 28.738 0.051 0.000 0.916 113 Q HN 0.507 nan 8.270 nan 0.000 0.417 114 E N 1.379 121.622 120.200 0.071 0.000 2.086 114 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 114 E C 1.948 178.568 176.600 0.032 0.000 1.012 114 E CA 1.687 58.113 56.400 0.044 0.000 0.812 114 E CB -0.061 29.652 29.700 0.022 0.000 0.743 114 E HN 0.240 nan 8.360 nan 0.000 0.453 115 K N -0.985 119.418 120.400 0.005 0.000 2.001 115 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 115 K C 2.167 178.678 176.600 -0.149 0.000 1.048 115 K CA 1.419 57.623 56.287 -0.137 0.000 0.932 115 K CB -0.222 32.096 32.500 -0.304 0.000 0.715 115 K HN 0.065 nan 8.250 nan 0.000 0.437 116 F N 0.749 120.743 119.950 0.074 0.000 2.569 116 F HA 0.129 4.655 4.527 -0.000 0.000 0.295 116 F C 1.640 177.557 175.800 0.196 0.000 1.115 116 F CA 0.417 58.487 58.000 0.116 0.000 1.450 116 F CB 0.235 39.280 39.000 0.076 0.000 1.107 116 F HN -0.051 nan 8.300 nan 0.000 0.563 117 L N -0.281 121.126 121.223 0.306 0.000 2.591 117 L HA 0.005 4.345 4.340 -0.000 0.000 0.228 117 L C 2.275 179.312 176.870 0.279 0.000 1.133 117 L CA 0.323 55.344 54.840 0.302 0.000 0.880 117 L CB -0.328 41.830 42.059 0.166 0.000 1.033 117 L HN 0.066 nan 8.230 nan 0.000 0.450 118 K N 1.353 121.858 120.400 0.175 0.000 2.025 118 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 118 K C -0.492 176.142 176.600 0.058 0.000 1.049 118 K CA 1.196 57.534 56.287 0.086 0.000 0.933 118 K CB -0.656 31.860 32.500 0.026 0.000 0.714 118 K HN 0.127 nan 8.250 nan 0.000 0.438 119 P HA -0.157 nan 4.420 nan 0.000 0.216 119 P C 0.727 177.902 177.300 -0.208 0.000 1.150 119 P CA 1.429 64.412 63.100 -0.194 0.000 0.843 119 P CB -0.056 31.373 31.700 -0.451 0.000 0.787 120 F N -1.260 118.738 119.950 0.081 0.000 2.710 120 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 120 F C 1.924 177.753 175.800 0.048 0.000 1.137 120 F CA 0.495 58.544 58.000 0.081 0.000 1.444 120 F CB -0.765 38.288 39.000 0.090 0.000 1.111 120 F HN -0.071 nan 8.300 nan 0.000 0.580 121 I N -2.866 117.806 120.570 0.171 0.000 4.018 121 I HA 0.164 4.334 4.170 -0.000 0.000 0.337 121 I C 1.899 178.044 176.117 0.045 0.000 1.327 121 I CA 0.478 61.834 61.300 0.093 0.000 1.100 121 I CB -0.388 37.658 38.000 0.076 0.000 1.025 121 I HN 0.017 nan 8.210 nan 0.000 0.396 122 S N 1.207 116.925 115.700 0.030 0.000 2.428 122 S HA 0.157 4.627 4.470 -0.000 0.000 0.230 122 S C 1.862 176.463 174.600 0.000 0.000 1.014 122 S CA 0.802 59.005 58.200 0.005 0.000 0.957 122 S CB -0.432 62.760 63.200 -0.014 0.000 0.784 122 S HN 0.854 nan 8.310 nan 0.000 0.499 123 G N 1.240 110.043 108.800 0.005 0.000 2.157 123 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 123 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 123 G C -0.226 174.672 174.900 -0.003 0.000 0.979 123 G CA 0.310 45.409 45.100 -0.002 0.000 0.650 123 G HN 1.002 nan 8.290 nan 0.000 0.529 124 E N -0.704 119.494 120.200 -0.003 0.000 2.367 124 E HA 0.620 4.970 4.350 -0.000 0.000 0.273 124 E C 0.510 177.114 176.600 0.007 0.000 0.903 124 E CA -0.240 56.159 56.400 -0.002 0.000 0.764 124 E CB 2.000 31.694 29.700 -0.010 0.000 1.252 124 E HN 1.811 nan 8.360 nan 0.000 0.446 125 G N 1.996 110.808 108.800 0.020 0.000 2.615 125 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 125 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 125 G C -0.776 174.202 174.900 0.130 0.000 1.339 125 G CA -0.012 45.115 45.100 0.046 0.000 0.884 125 G HN 0.578 nan 8.290 nan 0.000 0.559 126 E N 1.263 121.605 120.200 0.237 0.000 3.898 126 E HA 0.386 4.736 4.350 -0.000 0.000 0.219 126 E C -2.421 174.568 176.600 0.648 0.000 1.207 126 E CA -1.166 55.578 56.400 0.574 0.000 1.240 126 E CB 1.521 31.539 29.700 0.530 0.000 1.239 126 E HN 0.520 nan 8.360 nan 0.000 0.422 127 P HA 0.143 nan 4.420 nan 0.000 0.275 127 P C -0.453 177.128 177.300 0.468 0.000 1.227 127 P CA -0.193 62.992 63.100 0.142 0.000 0.781 127 P CB 1.300 32.685 31.700 -0.526 0.000 0.906 128 L N 2.103 123.558 121.223 0.385 0.000 2.346 128 L HA 0.782 5.122 4.340 -0.000 0.000 0.274 128 L C 0.281 177.423 176.870 0.453 0.000 1.007 128 L CA -0.828 54.189 54.840 0.296 0.000 0.818 128 L CB 1.996 43.996 42.059 -0.098 0.000 1.284 128 L HN 0.430 nan 8.230 nan 0.000 0.424 129 A N 1.701 124.666 122.820 0.242 0.000 2.469 129 A HA 0.843 5.163 4.320 -0.000 0.000 0.299 129 A C -1.022 176.559 177.584 -0.006 0.000 1.098 129 A CA -0.517 51.553 52.037 0.053 0.000 0.737 129 A CB 2.165 20.993 19.000 -0.286 0.000 1.312 129 A HN 0.503 nan 8.150 nan 0.000 0.414 130 S N 0.035 115.724 115.700 -0.019 0.000 2.546 130 S HA 0.529 4.999 4.470 -0.000 0.000 0.272 130 S C -1.864 172.713 174.600 -0.038 0.000 1.140 130 S CA -0.439 57.749 58.200 -0.019 0.000 0.920 130 S CB 1.156 64.364 63.200 0.013 0.000 1.083 130 S HN 1.353 nan 8.310 nan 0.000 0.476 131 L N 5.826 127.015 121.223 -0.056 0.000 2.259 131 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 131 L C -0.591 176.307 176.870 0.047 0.000 1.051 131 L CA 0.138 54.942 54.840 -0.060 0.000 0.824 131 L CB 0.355 42.296 42.059 -0.197 0.000 1.206 131 L HN 0.766 nan 8.230 nan 0.000 0.429 132 M N 5.490 125.125 119.600 0.059 0.000 2.206 132 M HA 0.204 4.684 4.480 -0.000 0.000 0.353 132 M C 0.404 176.763 176.300 0.098 0.000 1.242 132 M CA -0.048 55.309 55.300 0.094 0.000 1.179 132 M CB 0.442 33.108 32.600 0.111 0.000 1.374 132 M HN 0.671 nan 8.290 nan 0.000 0.427 133 H N 0.566 119.653 119.070 0.029 0.000 2.274 133 H HA 0.265 4.821 4.556 -0.000 0.000 0.271 133 H C 0.178 175.445 175.328 -0.101 0.000 0.945 133 H CA 0.226 56.236 56.048 -0.063 0.000 1.200 133 H CB 0.685 30.421 29.762 -0.043 0.000 1.456 133 H HN 0.489 nan 8.280 nan 0.000 0.536 134 S N 1.682 117.373 115.700 -0.014 0.000 2.558 134 S HA 0.062 4.532 4.470 -0.000 0.000 0.287 134 S C -0.092 174.512 174.600 0.007 0.000 1.321 134 S CA 0.272 58.477 58.200 0.008 0.000 1.048 134 S CB 0.862 64.182 63.200 0.201 0.000 0.844 134 S HN 0.372 nan 8.310 nan 0.000 0.512 135 E N 1.250 121.460 120.200 0.017 0.000 2.367 135 E HA 0.235 4.585 4.350 -0.000 0.000 0.273 135 E C -2.191 174.412 176.600 0.004 0.000 0.903 135 E CA -2.210 54.180 56.400 -0.016 0.000 0.764 135 E CB 1.559 31.230 29.700 -0.048 0.000 1.252 135 E HN 0.186 nan 8.360 nan 0.000 0.446 136 P HA -0.140 nan 4.420 nan 0.000 0.217 136 P C 0.328 177.615 177.300 -0.021 0.000 1.148 136 P CA 1.396 64.416 63.100 -0.133 0.000 0.828 136 P CB 0.148 31.713 31.700 -0.226 0.000 0.783 137 N N -1.290 117.411 118.700 0.000 0.000 2.398 137 N HA 0.202 4.942 4.740 -0.000 0.000 0.188 137 N C 0.626 176.157 175.510 0.035 0.000 1.122 137 N CA 0.248 53.310 53.050 0.020 0.000 0.866 137 N CB 0.149 38.648 38.487 0.019 0.000 0.970 137 N HN 0.115 nan 8.380 nan 0.000 0.462 138 G N 0.317 109.144 108.800 0.045 0.000 2.662 138 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 138 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 138 G C 0.209 175.122 174.900 0.021 0.000 1.271 138 G CA -0.158 44.966 45.100 0.039 0.000 0.816 138 G HN 0.161 nan 8.290 nan 0.000 0.608 139 T N -2.919 111.639 114.554 0.007 0.000 3.130 139 T HA 0.600 4.949 4.350 -0.000 0.000 0.288 139 T C 2.228 177.003 174.700 0.124 0.000 0.936 139 T CA 1.444 63.554 62.100 0.016 0.000 0.897 139 T CB 0.468 69.237 68.868 -0.165 0.000 1.178 139 T HN 2.148 nan 8.240 nan 0.000 0.543 140 A N 2.951 125.815 122.820 0.074 0.000 1.997 140 A HA -0.136 4.184 4.320 -0.000 0.000 0.221 140 A C 1.643 179.329 177.584 0.171 0.000 1.172 140 A CA 1.922 54.014 52.037 0.091 0.000 0.645 140 A CB -0.796 18.224 19.000 0.034 0.000 0.813 140 A HN 0.652 nan 8.150 nan 0.000 0.454 141 N N -0.598 118.204 118.700 0.170 0.000 2.275 141 N HA 0.092 4.832 4.740 -0.000 0.000 0.236 141 N C 0.897 176.517 175.510 0.183 0.000 1.154 141 N CA 0.174 53.305 53.050 0.136 0.000 0.866 141 N CB 0.196 38.726 38.487 0.071 0.000 1.093 141 N HN 0.833 nan 8.380 nan 0.000 0.515 142 W N 0.126 121.431 121.300 0.008 0.000 2.421 142 W HA 0.012 4.672 4.660 -0.000 0.000 0.270 142 W C -0.019 176.511 176.519 0.018 0.000 1.233 142 W CA 0.427 57.780 57.345 0.014 0.000 1.226 142 W CB -0.738 28.741 29.460 0.033 0.000 1.121 142 W HN 0.094 nan 8.180 nan 0.000 0.579 143 L N 0.959 121.890 121.223 -0.488 0.000 2.667 143 L HA 0.218 4.558 4.340 -0.000 0.000 0.232 143 L C 1.275 178.001 176.870 -0.239 0.000 1.138 143 L CA -0.081 54.439 54.840 -0.533 0.000 0.921 143 L CB -0.518 41.104 42.059 -0.729 0.000 1.180 143 L HN -0.151 nan 8.230 nan 0.000 0.487 144 Q N 2.560 122.285 119.800 -0.126 0.000 2.262 144 Q HA 0.004 4.344 4.340 -0.000 0.000 0.272 144 Q C 0.076 176.038 176.000 -0.063 0.000 1.076 144 Q CA 0.229 55.990 55.803 -0.070 0.000 0.905 144 Q CB 0.624 29.346 28.738 -0.026 0.000 1.182 144 Q HN 0.110 nan 8.270 nan 0.000 0.390 145 K N 2.332 122.695 120.400 -0.063 0.000 2.447 145 K HA 0.037 4.356 4.320 -0.000 0.000 0.281 145 K C 0.619 177.202 176.600 -0.029 0.000 1.031 145 K CA 1.085 57.344 56.287 -0.047 0.000 1.019 145 K CB 0.107 32.579 32.500 -0.047 0.000 0.918 145 K HN 0.946 nan 8.250 nan 0.000 0.476 146 G N 2.479 111.266 108.800 -0.021 0.000 2.176 146 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 146 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 146 G C 0.343 175.240 174.900 -0.005 0.000 0.979 146 G CA 0.002 45.096 45.100 -0.011 0.000 0.641 146 G HN 0.903 nan 8.290 nan 0.000 0.530 147 G N -0.171 108.626 108.800 -0.005 0.000 2.511 147 G HA2 0.702 4.662 3.960 -0.000 0.000 0.316 147 G HA3 0.702 4.662 3.960 -0.000 0.000 0.316 147 G C -0.397 174.511 174.900 0.013 0.000 1.210 147 G CA -0.275 44.829 45.100 0.006 0.000 0.969 147 G HN 0.086 nan 8.290 nan 0.000 0.492 148 P HA 0.063 nan 4.420 nan 0.000 0.221 148 P C 1.167 178.491 177.300 0.041 0.000 1.150 148 P CA 1.397 64.514 63.100 0.029 0.000 0.800 148 P CB 0.052 31.771 31.700 0.032 0.000 0.787 149 G N 0.373 109.206 108.800 0.054 0.000 2.782 149 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.228 149 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.228 149 G C -0.502 174.462 174.900 0.106 0.000 1.372 149 G CA -0.517 44.633 45.100 0.083 0.000 0.862 149 G HN 0.283 nan 8.290 nan 0.000 0.547 150 L N 0.356 121.665 121.223 0.144 0.000 2.554 150 L HA 0.028 4.368 4.340 -0.000 0.000 0.293 150 L C 1.755 178.659 176.870 0.056 0.000 1.252 150 L CA 0.306 55.200 54.840 0.091 0.000 0.862 150 L CB 0.327 42.442 42.059 0.094 0.000 1.113 150 L HN 0.619 nan 8.230 nan 0.000 0.510 151 Q N 0.468 120.288 119.800 0.035 0.000 2.356 151 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 151 Q C 0.108 176.136 176.000 0.046 0.000 0.901 151 Q CA 0.259 56.086 55.803 0.040 0.000 0.938 151 Q CB 0.452 29.212 28.738 0.037 0.000 1.081 151 Q HN 0.645 nan 8.270 nan 0.000 0.517 152 T N 2.807 117.381 114.554 0.034 0.000 2.723 152 T HA 0.252 4.602 4.350 -0.000 0.000 0.297 152 T C 0.327 175.038 174.700 0.019 0.000 0.925 152 T CA -0.077 62.041 62.100 0.031 0.000 1.030 152 T CB 0.591 69.461 68.868 0.002 0.000 0.905 152 T HN 0.190 nan 8.240 nan 0.000 0.502 153 T N 0.422 114.997 114.554 0.036 0.000 2.940 153 T HA 0.850 5.199 4.350 -0.000 0.000 0.288 153 T C -0.413 174.321 174.700 0.057 0.000 1.033 153 T CA -1.094 61.035 62.100 0.049 0.000 1.033 153 T CB 1.919 70.824 68.868 0.061 0.000 1.079 153 T HN 0.596 nan 8.240 nan 0.000 0.496 154 A N 1.683 124.565 122.820 0.103 0.000 2.435 154 A HA 0.887 5.207 4.320 -0.000 0.000 0.304 154 A C -0.335 177.415 177.584 0.276 0.000 1.064 154 A CA -1.219 50.935 52.037 0.196 0.000 0.727 154 A CB 1.459 20.581 19.000 0.204 0.000 1.284 154 A HN 1.146 nan 8.150 nan 0.000 0.415 155 R N 1.289 121.939 120.500 0.251 0.000 2.740 155 R HA 0.587 4.926 4.340 -0.000 0.000 0.273 155 R C -1.402 174.777 176.300 -0.202 0.000 0.998 155 R CA -0.786 55.358 56.100 0.073 0.000 0.900 155 R CB 1.593 31.894 30.300 0.002 0.000 1.223 155 R HN 0.559 nan 8.270 nan 0.000 0.466 156 K N 1.880 121.937 120.400 -0.571 0.000 2.276 156 K HA 0.313 4.633 4.320 -0.000 0.000 0.285 156 K C -1.111 175.215 176.600 -0.458 0.000 1.062 156 K CA -0.524 55.210 56.287 -0.920 0.000 0.918 156 K CB 1.450 33.262 32.500 -1.147 0.000 1.055 156 K HN 0.392 nan 8.250 nan 0.000 0.477 157 V N 4.918 124.604 119.914 -0.381 0.000 2.325 157 V HA 0.305 4.425 4.120 -0.000 0.000 0.280 157 V C 0.844 176.834 176.094 -0.174 0.000 1.016 157 V CA 0.167 62.337 62.300 -0.216 0.000 0.818 157 V CB 0.449 32.187 31.823 -0.142 0.000 1.019 157 V HN 1.198 nan 8.190 nan 0.000 0.434 158 G N 4.780 113.484 108.800 -0.161 0.000 2.646 158 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.324 158 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.324 158 G C 0.817 175.617 174.900 -0.167 0.000 1.195 158 G CA 0.945 45.967 45.100 -0.130 0.000 0.976 158 G HN 0.728 nan 8.290 nan 0.000 0.546 159 N N 2.144 120.780 118.700 -0.107 0.000 2.273 159 N HA 0.191 4.931 4.740 -0.000 0.000 0.231 159 N C 0.312 175.819 175.510 -0.004 0.000 1.134 159 N CA 0.853 53.853 53.050 -0.084 0.000 0.856 159 N CB 0.073 38.542 38.487 -0.030 0.000 1.068 159 N HN 0.811 nan 8.380 nan 0.000 0.510 160 E N -0.817 119.347 120.200 -0.060 0.000 2.456 160 E HA 0.237 4.586 4.350 -0.000 0.000 0.276 160 E C -1.538 174.975 176.600 -0.145 0.000 0.981 160 E CA -0.949 55.471 56.400 0.034 0.000 0.814 160 E CB 0.675 30.443 29.700 0.113 0.000 1.382 160 E HN -0.011 nan 8.360 nan 0.000 0.459 161 W N 0.534 121.842 121.300 0.013 0.000 2.520 161 W HA 0.502 5.162 4.660 -0.000 0.000 0.323 161 W C -0.885 175.571 176.519 -0.105 0.000 1.062 161 W CA -0.638 56.692 57.345 -0.025 0.000 1.215 161 W CB 2.097 31.562 29.460 0.009 0.000 1.340 161 W HN 0.236 nan 8.180 nan 0.000 0.516 162 V N 5.721 125.672 119.914 0.063 0.000 2.284 162 V HA 0.267 4.387 4.120 -0.000 0.000 0.274 162 V C 0.153 176.294 176.094 0.079 0.000 1.023 162 V CA -0.975 61.292 62.300 -0.055 0.000 0.808 162 V CB -0.068 31.605 31.823 -0.249 0.000 1.035 162 V HN 0.384 nan 8.190 nan 0.000 0.445 163 I N 3.044 123.687 120.570 0.122 0.000 2.598 163 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 163 I C 0.630 176.833 176.117 0.143 0.000 1.140 163 I CA 0.915 62.251 61.300 0.060 0.000 1.420 163 I CB 0.678 38.587 38.000 -0.150 0.000 1.387 163 I HN 0.491 nan 8.210 nan 0.000 0.553 164 S N 3.568 119.336 115.700 0.112 0.000 2.594 164 S HA 0.855 5.325 4.470 -0.000 0.000 0.296 164 S C -0.002 174.683 174.600 0.142 0.000 1.124 164 S CA -0.213 58.080 58.200 0.155 0.000 1.011 164 S CB 1.853 65.123 63.200 0.116 0.000 1.016 164 S HN 1.079 nan 8.310 nan 0.000 0.485 165 G N 2.834 111.751 108.800 0.195 0.000 2.346 165 G HA2 0.164 4.124 3.960 -0.000 0.000 0.294 165 G HA3 0.164 4.124 3.960 -0.000 0.000 0.294 165 G C -2.076 172.946 174.900 0.203 0.000 1.294 165 G CA -0.898 44.294 45.100 0.153 0.000 0.962 165 G HN 0.570 nan 8.290 nan 0.000 0.508 166 E N 0.044 120.328 120.200 0.139 0.000 2.212 166 E HA 0.603 4.953 4.350 -0.000 0.000 0.268 166 E C -0.697 175.971 176.600 0.114 0.000 0.902 166 E CA -0.994 55.479 56.400 0.121 0.000 0.779 166 E CB 1.808 31.593 29.700 0.143 0.000 1.172 166 E HN 0.221 nan 8.360 nan 0.000 0.409 167 K N 1.899 122.361 120.400 0.103 0.000 2.156 167 K HA 0.543 4.863 4.320 -0.000 0.000 0.254 167 K C -0.868 175.716 176.600 -0.027 0.000 0.950 167 K CA -0.686 55.632 56.287 0.051 0.000 0.849 167 K CB 1.207 33.768 32.500 0.100 0.000 1.100 167 K HN 0.439 nan 8.250 nan 0.000 0.434 168 L N 2.444 123.605 121.223 -0.103 0.000 2.408 168 L HA 0.377 4.717 4.340 -0.000 0.000 0.268 168 L C -0.582 176.194 176.870 -0.157 0.000 0.986 168 L CA -0.227 54.414 54.840 -0.331 0.000 0.820 168 L CB 1.105 42.795 42.059 -0.615 0.000 1.303 168 L HN 0.882 nan 8.230 nan 0.000 0.411 169 W N 0.549 121.810 121.300 -0.064 0.000 0.780 169 W HA -0.189 4.470 4.660 -0.000 0.000 0.224 169 W C -1.786 174.719 176.519 -0.023 0.000 0.943 169 W CA -0.530 56.793 57.345 -0.038 0.000 0.351 169 W CB -2.010 27.436 29.460 -0.023 0.000 1.941 169 W HN 0.358 nan 8.180 nan 0.000 1.132 170 P HA 0.161 nan 4.420 nan 0.000 0.259 170 P C 0.319 177.647 177.300 0.046 0.000 1.211 170 P CA 0.867 64.033 63.100 0.110 0.000 0.810 170 P CB 0.958 32.707 31.700 0.082 0.000 0.815 171 S N 4.197 119.928 115.700 0.052 0.000 2.673 171 S HA -0.046 4.424 4.470 -0.000 0.000 0.308 171 S C 0.928 175.480 174.600 -0.081 0.000 1.246 171 S CA 0.595 58.779 58.200 -0.026 0.000 1.077 171 S CB -0.807 62.404 63.200 0.018 0.000 0.814 171 S HN 0.511 nan 8.310 nan 0.000 0.503 172 N N 0.704 119.289 118.700 -0.191 0.000 3.016 172 N HA -0.158 4.582 4.740 -0.000 0.000 0.223 172 N C 1.081 176.543 175.510 -0.080 0.000 0.922 172 N CA 1.248 54.170 53.050 -0.213 0.000 0.998 172 N CB -1.806 36.597 38.487 -0.139 0.000 1.064 172 N HN 0.636 nan 8.380 nan 0.000 0.566 173 S N -1.798 113.878 115.700 -0.040 0.000 2.436 173 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 173 S C 1.959 176.615 174.600 0.094 0.000 1.014 173 S CA 1.122 59.340 58.200 0.031 0.000 0.950 173 S CB -0.208 63.007 63.200 0.025 0.000 0.784 173 S HN 0.453 nan 8.310 nan 0.000 0.504 174 G N 0.747 109.599 108.800 0.087 0.000 2.623 174 G HA2 0.470 4.430 3.960 -0.000 0.000 0.214 174 G HA3 0.470 4.430 3.960 -0.000 0.000 0.214 174 G C 0.897 175.976 174.900 0.299 0.000 1.138 174 G CA 0.164 45.387 45.100 0.204 0.000 0.794 174 G HN 1.207 nan 8.290 nan 0.000 0.535 175 G N -1.225 107.690 108.800 0.192 0.000 2.587 175 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.212 175 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.212 175 G C 0.434 175.422 174.900 0.148 0.000 1.327 175 G CA -0.036 45.120 45.100 0.094 0.000 0.898 175 G HN 0.250 nan 8.290 nan 0.000 0.551 176 W N 0.634 122.027 121.300 0.155 0.000 2.595 176 W HA 0.270 4.930 4.660 -0.000 0.000 0.257 176 W C 1.916 178.421 176.519 -0.024 0.000 1.267 176 W CA 1.169 58.500 57.345 -0.023 0.000 1.300 176 W CB 0.169 29.542 29.460 -0.144 0.000 1.120 176 W HN 0.717 nan 8.180 nan 0.000 0.618 177 D N -4.255 116.287 120.400 0.238 0.000 2.567 177 D HA -0.062 4.577 4.640 -0.000 0.000 0.268 177 D C 0.207 176.627 176.300 0.200 0.000 1.448 177 D CA -0.639 53.433 54.000 0.121 0.000 0.811 177 D CB -0.977 39.910 40.800 0.144 0.000 1.192 177 D HN 0.048 nan 8.370 nan 0.000 0.488 178 Y N 0.559 120.954 120.300 0.158 0.000 4.729 178 Y HA -0.236 4.313 4.550 -0.000 0.000 0.239 178 Y C 0.709 176.731 175.900 0.202 0.000 1.043 178 Y CA 0.263 58.445 58.100 0.137 0.000 2.045 178 Y CB -2.435 36.069 38.460 0.073 0.000 1.599 178 Y HN 0.270 nan 8.280 nan 0.000 0.655 179 K N 0.272 120.877 120.400 0.341 0.000 2.358 179 K HA 0.483 4.803 4.320 -0.000 0.000 0.197 179 K C 1.138 177.857 176.600 0.198 0.000 1.025 179 K CA 0.611 57.056 56.287 0.262 0.000 1.104 179 K CB 0.733 33.344 32.500 0.185 0.000 0.855 179 K HN 0.419 nan 8.250 nan 0.000 0.531 180 G N 0.850 109.800 108.800 0.250 0.000 2.459 180 G HA2 0.113 4.073 3.960 -0.000 0.000 0.685 180 G HA3 0.113 4.073 3.960 -0.000 0.000 0.685 180 G C -1.127 173.868 174.900 0.159 0.000 1.303 180 G CA -0.712 44.496 45.100 0.179 0.000 0.907 180 G HN 0.164 nan 8.290 nan 0.000 0.632 181 A N -0.187 122.718 122.820 0.140 0.000 2.351 181 A HA 0.614 4.933 4.320 -0.000 0.000 0.257 181 A C 1.184 178.870 177.584 0.170 0.000 1.087 181 A CA 0.931 53.044 52.037 0.127 0.000 0.798 181 A CB 0.182 19.248 19.000 0.110 0.000 1.033 181 A HN 0.845 nan 8.150 nan 0.000 0.488 182 D N -0.637 119.887 120.400 0.208 0.000 2.190 182 D HA -0.000 4.640 4.640 -0.000 0.000 0.200 182 D C 0.126 176.626 176.300 0.334 0.000 0.992 182 D CA 1.578 55.716 54.000 0.231 0.000 0.854 182 D CB -0.076 40.806 40.800 0.137 0.000 0.936 182 D HN 0.280 nan 8.370 nan 0.000 0.462 183 L N -0.707 120.749 121.223 0.388 0.000 2.470 183 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 183 L C -1.843 175.105 176.870 0.129 0.000 0.964 183 L CA -0.884 54.124 54.840 0.280 0.000 0.839 183 L CB 1.831 44.083 42.059 0.322 0.000 1.276 183 L HN -0.140 nan 8.230 nan 0.000 0.403 184 A N 4.087 126.952 122.820 0.076 0.000 2.319 184 A HA 0.668 4.987 4.320 -0.000 0.000 0.310 184 A C -0.719 176.842 177.584 -0.039 0.000 1.152 184 A CA -0.472 51.584 52.037 0.031 0.000 0.783 184 A CB 0.785 19.837 19.000 0.086 0.000 1.184 184 A HN 0.777 nan 8.150 nan 0.000 0.474 185 C N 3.167 122.419 119.300 -0.080 0.000 2.256 185 C HA 0.463 4.922 4.460 -0.000 0.000 0.333 185 C C 0.537 175.480 174.990 -0.078 0.000 1.183 185 C CA -0.696 58.251 59.018 -0.118 0.000 1.692 185 C CB -0.923 26.727 27.740 -0.149 0.000 2.274 185 C HN 0.557 nan 8.230 nan 0.000 0.509 186 V N 5.133 124.988 119.914 -0.099 0.000 2.406 186 V HA 0.255 4.375 4.120 -0.000 0.000 0.272 186 V C 0.250 176.276 176.094 -0.114 0.000 1.043 186 V CA -0.220 62.015 62.300 -0.109 0.000 0.915 186 V CB 1.129 32.807 31.823 -0.241 0.000 0.988 186 V HN 0.671 nan 8.190 nan 0.000 0.466 187 V N 4.751 124.631 119.914 -0.056 0.000 2.432 187 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 187 V C 0.115 176.180 176.094 -0.048 0.000 1.043 187 V CA -0.154 62.138 62.300 -0.013 0.000 0.925 187 V CB 0.979 32.873 31.823 0.119 0.000 0.985 187 V HN 1.040 nan 8.190 nan 0.000 0.466 188 C N 4.460 123.742 119.300 -0.030 0.000 2.889 188 C HA 0.653 5.113 4.460 -0.000 0.000 0.307 188 C C 0.121 175.136 174.990 0.042 0.000 1.251 188 C CA -1.154 57.851 59.018 -0.023 0.000 1.593 188 C CB 1.937 29.636 27.740 -0.069 0.000 2.104 188 C HN 0.952 nan 8.230 nan 0.000 0.476 189 R N 1.024 121.560 120.500 0.060 0.000 2.265 189 R HA 0.579 4.918 4.340 -0.000 0.000 0.319 189 R C -1.044 175.299 176.300 0.071 0.000 1.006 189 R CA -0.223 55.923 56.100 0.078 0.000 0.880 189 R CB 0.719 31.070 30.300 0.085 0.000 1.077 189 R HN 0.641 nan 8.270 nan 0.000 0.454 190 V N 3.919 123.881 119.914 0.080 0.000 2.485 190 V HA 0.067 4.187 4.120 -0.000 0.000 0.287 190 V C 0.111 176.266 176.094 0.101 0.000 1.022 190 V CA 0.640 63.017 62.300 0.129 0.000 1.067 190 V CB 0.954 32.881 31.823 0.173 0.000 0.967 190 V HN 0.760 nan 8.190 nan 0.000 0.479 191 S N 3.105 118.866 115.700 0.102 0.000 2.677 191 S HA 0.311 4.781 4.470 -0.000 0.000 0.283 191 S C 0.528 175.164 174.600 0.060 0.000 1.159 191 S CA -0.728 57.514 58.200 0.069 0.000 1.001 191 S CB 1.534 64.767 63.200 0.056 0.000 1.032 191 S HN 0.813 nan 8.310 nan 0.000 0.487 192 D N 2.153 122.577 120.400 0.040 0.000 2.084 192 D HA -0.055 4.584 4.640 -0.000 0.000 0.194 192 D C 0.237 176.546 176.300 0.016 0.000 0.990 192 D CA 1.326 55.337 54.000 0.017 0.000 0.826 192 D CB 0.146 40.949 40.800 0.005 0.000 0.971 192 D HN 0.629 nan 8.370 nan 0.000 0.453 193 D N -0.125 120.286 120.400 0.019 0.000 2.485 193 D HA 0.119 4.759 4.640 -0.000 0.000 0.229 193 D C -1.913 174.403 176.300 0.027 0.000 1.101 193 D CA -2.064 51.948 54.000 0.019 0.000 0.906 193 D CB 1.465 42.273 40.800 0.015 0.000 1.019 193 D HN -0.042 nan 8.370 nan 0.000 0.516 194 P HA -0.092 nan 4.420 nan 0.000 0.236 194 P C 0.772 178.093 177.300 0.035 0.000 1.172 194 P CA 0.510 63.633 63.100 0.039 0.000 0.759 194 P CB 0.098 31.826 31.700 0.047 0.000 0.843 195 S N -2.315 113.403 115.700 0.029 0.000 2.575 195 S HA 0.147 4.616 4.470 -0.000 0.000 0.215 195 S C 0.781 175.394 174.600 0.022 0.000 0.966 195 S CA -0.270 57.946 58.200 0.026 0.000 0.911 195 S CB -0.300 62.914 63.200 0.024 0.000 0.780 195 S HN 0.034 nan 8.310 nan 0.000 0.514 196 K N 2.837 123.251 120.400 0.022 0.000 2.130 196 K HA 0.460 4.780 4.320 -0.000 0.000 0.268 196 K C -2.610 174.002 176.600 0.021 0.000 0.983 196 K CA -2.317 53.981 56.287 0.019 0.000 0.893 196 K CB 0.852 33.362 32.500 0.017 0.000 1.066 196 K HN 0.193 nan 8.250 nan 0.000 0.450 197 P HA -0.067 nan 4.420 nan 0.000 0.269 197 P C -0.789 176.523 177.300 0.018 0.000 1.215 197 P CA -0.217 62.895 63.100 0.019 0.000 0.780 197 P CB 0.539 32.248 31.700 0.015 0.000 0.898 198 Q N 1.075 120.887 119.800 0.020 0.000 2.283 198 Q HA -0.065 4.274 4.340 -0.000 0.000 0.301 198 Q C 0.063 176.069 176.000 0.010 0.000 1.063 198 Q CA 0.050 55.863 55.803 0.017 0.000 0.952 198 Q CB 0.114 28.861 28.738 0.016 0.000 1.166 198 Q HN 0.332 nan 8.270 nan 0.000 0.381 199 D N 5.476 125.881 120.400 0.008 0.000 2.434 199 D HA 0.003 4.643 4.640 -0.000 0.000 0.252 199 D C -1.736 174.563 176.300 -0.001 0.000 1.185 199 D CA -1.640 52.362 54.000 0.004 0.000 0.886 199 D CB 1.103 41.906 40.800 0.005 0.000 1.148 199 D HN 0.385 nan 8.370 nan 0.000 0.483 200 P HA -0.058 nan 4.420 nan 0.000 0.236 200 P C 0.386 177.679 177.300 -0.010 0.000 1.172 200 P CA 0.723 63.819 63.100 -0.006 0.000 0.759 200 P CB 0.300 31.997 31.700 -0.004 0.000 0.843 201 N N -0.611 118.083 118.700 -0.009 0.000 2.184 201 N HA 0.077 4.816 4.740 -0.000 0.000 0.206 201 N C 0.009 175.512 175.510 -0.012 0.000 1.151 201 N CA 0.089 53.133 53.050 -0.010 0.000 0.878 201 N CB 1.454 39.938 38.487 -0.006 0.000 1.014 201 N HN 0.049 nan 8.380 nan 0.000 0.512 202 V N -0.256 119.650 119.914 -0.014 0.000 2.483 202 V HA 0.360 4.479 4.120 -0.000 0.000 0.295 202 V C -0.266 175.810 176.094 -0.030 0.000 1.035 202 V CA -0.905 61.385 62.300 -0.017 0.000 0.896 202 V CB 1.707 33.523 31.823 -0.010 0.000 0.986 202 V HN -0.096 nan 8.190 nan 0.000 0.447 203 D N 6.042 126.420 120.400 -0.037 0.000 2.451 203 D HA 0.189 4.828 4.640 -0.000 0.000 0.254 203 D C -1.506 174.751 176.300 -0.071 0.000 1.204 203 D CA -1.228 52.738 54.000 -0.058 0.000 0.896 203 D CB 1.596 42.362 40.800 -0.057 0.000 1.136 203 D HN 0.452 nan 8.370 nan 0.000 0.499 204 P HA -0.180 nan 4.420 nan 0.000 0.217 204 P C 0.862 178.067 177.300 -0.158 0.000 1.148 204 P CA 1.657 64.685 63.100 -0.119 0.000 0.828 204 P CB 0.110 31.712 31.700 -0.163 0.000 0.783 205 A N -0.657 122.049 122.820 -0.190 0.000 2.125 205 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 205 A C 2.040 179.564 177.584 -0.100 0.000 1.156 205 A CA 2.004 53.926 52.037 -0.191 0.000 0.671 205 A CB -1.720 17.170 19.000 -0.184 0.000 0.794 205 A HN 0.353 nan 8.150 nan 0.000 0.459 206 T N -3.991 110.522 114.554 -0.068 0.000 3.148 206 T HA 0.056 4.406 4.350 -0.000 0.000 0.253 206 T C 1.113 175.806 174.700 -0.013 0.000 1.134 206 T CA 0.844 62.924 62.100 -0.034 0.000 1.051 206 T CB 0.049 68.903 68.868 -0.023 0.000 0.959 206 T HN 0.325 nan 8.240 nan 0.000 0.525 207 Q N 0.221 120.013 119.800 -0.013 0.000 2.171 207 Q HA 0.376 4.715 4.340 -0.000 0.000 0.218 207 Q C -0.168 175.849 176.000 0.028 0.000 0.822 207 Q CA -0.244 55.569 55.803 0.017 0.000 0.987 207 Q CB 0.654 29.404 28.738 0.021 0.000 1.144 207 Q HN 0.468 nan 8.270 nan 0.000 0.494 208 I N 1.525 122.107 120.570 0.020 0.000 2.471 208 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 208 I C 0.327 176.444 176.117 0.000 0.000 1.079 208 I CA -0.523 60.814 61.300 0.061 0.000 1.398 208 I CB 0.477 38.548 38.000 0.118 0.000 1.403 208 I HN -0.103 nan 8.210 nan 0.000 0.530 209 A N 6.787 129.584 122.820 -0.039 0.000 2.374 209 A HA 0.800 5.120 4.320 -0.000 0.000 0.317 209 A C -0.834 176.655 177.584 -0.159 0.000 1.094 209 A CA -0.529 51.407 52.037 -0.169 0.000 0.765 209 A CB 1.667 20.462 19.000 -0.340 0.000 1.268 209 A HN 0.392 nan 8.150 nan 0.000 0.438 210 V N 2.208 121.997 119.914 -0.209 0.000 2.448 210 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 210 V C -0.614 175.314 176.094 -0.278 0.000 1.025 210 V CA -0.229 61.954 62.300 -0.194 0.000 0.859 210 V CB 1.210 32.947 31.823 -0.143 0.000 0.988 210 V HN 0.726 nan 8.190 nan 0.000 0.431 211 L N 5.340 126.411 121.223 -0.253 0.000 2.356 211 L HA 0.523 4.863 4.340 -0.000 0.000 0.277 211 L C -0.975 175.777 176.870 -0.196 0.000 0.996 211 L CA -0.699 53.989 54.840 -0.253 0.000 0.822 211 L CB 1.889 43.805 42.059 -0.237 0.000 1.256 211 L HN 0.377 nan 8.230 nan 0.000 0.413 212 L N 4.399 125.487 121.223 -0.225 0.000 2.319 212 L HA 0.382 4.722 4.340 -0.000 0.000 0.280 212 L C -0.121 176.718 176.870 -0.053 0.000 1.099 212 L CA 0.144 54.842 54.840 -0.236 0.000 0.828 212 L CB 1.320 43.034 42.059 -0.574 0.000 1.150 212 L HN 0.231 nan 8.230 nan 0.000 0.442 213 V N 2.820 122.751 119.914 0.029 0.000 2.443 213 V HA 0.530 4.649 4.120 -0.000 0.000 0.293 213 V C 0.247 176.438 176.094 0.162 0.000 1.021 213 V CA -0.590 61.804 62.300 0.156 0.000 0.848 213 V CB 1.959 33.874 31.823 0.154 0.000 0.998 213 V HN 0.941 nan 8.190 nan 0.000 0.424 214 T N 2.097 116.775 114.554 0.206 0.000 2.910 214 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 214 T C 1.212 175.992 174.700 0.134 0.000 0.989 214 T CA -0.656 61.559 62.100 0.193 0.000 0.968 214 T CB 1.307 70.316 68.868 0.235 0.000 1.135 214 T HN 0.455 nan 8.240 nan 0.000 0.562 215 R N 0.135 120.706 120.500 0.120 0.000 2.105 215 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 215 R C 2.455 178.804 176.300 0.081 0.000 1.135 215 R CA 1.858 58.012 56.100 0.089 0.000 0.967 215 R CB -0.372 29.988 30.300 0.100 0.000 0.861 215 R HN 0.849 nan 8.270 nan 0.000 0.442 216 E N 0.143 120.397 120.200 0.090 0.000 2.051 216 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 216 E C 1.518 178.162 176.600 0.072 0.000 0.991 216 E CA 1.820 58.264 56.400 0.074 0.000 0.799 216 E CB 0.097 29.837 29.700 0.067 0.000 0.748 216 E HN 0.240 nan 8.360 nan 0.000 0.449 217 T N 1.233 115.853 114.554 0.109 0.000 2.699 217 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 217 T C 1.892 176.619 174.700 0.044 0.000 1.036 217 T CA 1.527 63.682 62.100 0.092 0.000 1.147 217 T CB -0.216 68.778 68.868 0.209 0.000 0.862 217 T HN 0.192 nan 8.240 nan 0.000 0.446 218 I N 1.323 121.997 120.570 0.174 0.000 2.193 218 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 218 I C 2.985 179.154 176.117 0.086 0.000 1.084 218 I CA 1.035 62.442 61.300 0.179 0.000 1.365 218 I CB -0.573 37.378 38.000 -0.081 0.000 1.064 218 I HN 0.173 nan 8.210 nan 0.000 0.410 219 A N 1.038 123.895 122.820 0.061 0.000 1.986 219 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 219 A C 1.722 179.317 177.584 0.020 0.000 1.171 219 A CA 1.974 54.040 52.037 0.049 0.000 0.640 219 A CB -0.729 18.299 19.000 0.047 0.000 0.811 219 A HN 0.478 nan 8.150 nan 0.000 0.451 220 N N 0.623 119.318 118.700 -0.007 0.000 2.434 220 N HA 0.048 4.788 4.740 -0.000 0.000 0.196 220 N C -0.316 175.138 175.510 -0.093 0.000 1.183 220 N CA 0.178 53.203 53.050 -0.043 0.000 0.849 220 N CB -0.155 38.306 38.487 -0.043 0.000 0.992 220 N HN 0.523 nan 8.380 nan 0.000 0.460 221 N N 0.448 119.100 118.700 -0.081 0.000 2.381 221 N HA 0.229 4.969 4.740 -0.000 0.000 0.294 221 N C -0.206 175.309 175.510 0.008 0.000 1.216 221 N CA -0.541 52.452 53.050 -0.096 0.000 0.803 221 N CB 2.040 40.410 38.487 -0.195 0.000 1.372 221 N HN -0.147 nan 8.380 nan 0.000 0.500 222 K N 0.908 121.321 120.400 0.022 0.000 2.455 222 K HA -0.062 4.257 4.320 -0.000 0.000 0.269 222 K C 1.294 177.959 176.600 0.108 0.000 0.972 222 K CA 0.234 56.554 56.287 0.055 0.000 0.938 222 K CB 0.913 33.446 32.500 0.054 0.000 0.931 222 K HN 0.434 nan 8.250 nan 0.000 0.507 223 K N 1.639 122.094 120.400 0.092 0.000 2.097 223 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 223 K C 0.478 177.151 176.600 0.122 0.000 1.049 223 K CA 2.000 58.353 56.287 0.110 0.000 0.933 223 K CB 0.045 32.592 32.500 0.079 0.000 0.717 223 K HN 0.673 nan 8.250 nan 0.000 0.442 224 D N -0.936 119.523 120.400 0.099 0.000 2.370 224 D HA 0.044 4.683 4.640 -0.000 0.000 0.230 224 D C 0.682 177.055 176.300 0.121 0.000 1.143 224 D CA 0.014 54.063 54.000 0.081 0.000 0.834 224 D CB 0.664 41.492 40.800 0.046 0.000 0.944 224 D HN 0.133 nan 8.370 nan 0.000 0.504 225 A N -0.524 122.425 122.820 0.215 0.000 2.267 225 A HA 0.214 4.534 4.320 -0.000 0.000 0.213 225 A C -0.251 177.617 177.584 0.472 0.000 1.192 225 A CA -0.214 52.029 52.037 0.343 0.000 0.851 225 A CB -0.124 19.104 19.000 0.379 0.000 0.881 225 A HN 0.308 nan 8.150 nan 0.000 0.494 226 Y N 0.176 120.548 120.300 0.120 0.000 2.294 226 Y HA 0.451 5.001 4.550 -0.000 0.000 0.329 226 Y C -1.146 174.663 175.900 -0.152 0.000 1.135 226 Y CA -0.565 57.465 58.100 -0.115 0.000 1.213 226 Y CB 0.654 39.101 38.460 -0.022 0.000 1.141 226 Y HN 0.222 nan 8.280 nan 0.000 0.446 227 Q N 6.317 125.843 119.800 -0.456 0.000 2.325 227 Q HA 0.524 4.864 4.340 -0.000 0.000 0.270 227 Q C -0.838 174.791 176.000 -0.619 0.000 1.020 227 Q CA -0.929 54.630 55.803 -0.406 0.000 0.785 227 Q CB 2.363 30.945 28.738 -0.259 0.000 1.259 227 Q HN 0.549 nan 8.270 nan 0.000 0.452 228 I N 4.655 124.866 120.570 -0.598 0.000 2.421 228 I HA -0.018 4.152 4.170 -0.000 0.000 0.291 228 I C 0.827 176.670 176.117 -0.457 0.000 1.089 228 I CA 0.409 61.321 61.300 -0.646 0.000 1.354 228 I CB 0.377 37.850 38.000 -0.878 0.000 1.413 228 I HN 0.724 nan 8.210 nan 0.000 0.513 229 L N 5.889 126.819 121.223 -0.488 0.000 2.591 229 L HA 0.306 4.645 4.340 -0.000 0.000 0.228 229 L C 0.962 177.679 176.870 -0.255 0.000 1.133 229 L CA 0.011 54.609 54.840 -0.404 0.000 0.880 229 L CB -0.171 41.510 42.059 -0.630 0.000 1.033 229 L HN 0.808 nan 8.230 nan 0.000 0.450 230 G N 0.044 108.709 108.800 -0.225 0.000 2.355 230 G HA2 0.360 4.320 3.960 -0.000 0.000 0.296 230 G HA3 0.360 4.320 3.960 -0.000 0.000 0.296 230 G C -1.893 172.943 174.900 -0.107 0.000 1.507 230 G CA -0.508 44.528 45.100 -0.107 0.000 0.823 230 G HN -0.099 nan 8.290 nan 0.000 0.569 231 E N 0.775 120.949 120.200 -0.044 0.000 2.409 231 E HA 0.587 4.937 4.350 -0.000 0.000 0.259 231 E C -2.510 174.059 176.600 -0.051 0.000 0.932 231 E CA -1.422 54.963 56.400 -0.026 0.000 0.809 231 E CB 1.660 31.426 29.700 0.110 0.000 1.341 231 E HN 0.321 nan 8.360 nan 0.000 0.405 232 P HA -0.025 nan 4.420 nan 0.000 0.261 232 P C -0.803 176.487 177.300 -0.017 0.000 1.173 232 P CA 0.277 63.303 63.100 -0.123 0.000 0.760 232 P CB 0.520 32.063 31.700 -0.262 0.000 0.783 233 E N 3.123 123.327 120.200 0.006 0.000 2.152 233 E HA 0.233 4.583 4.350 -0.000 0.000 0.285 233 E C 0.014 176.647 176.600 0.054 0.000 1.043 233 E CA -0.193 56.225 56.400 0.030 0.000 0.839 233 E CB 0.582 30.296 29.700 0.024 0.000 1.069 233 E HN 0.387 nan 8.360 nan 0.000 0.399 234 L N 1.209 122.472 121.223 0.066 0.000 2.375 234 L HA 0.377 4.716 4.340 -0.000 0.000 0.268 234 L C 1.593 178.487 176.870 0.040 0.000 1.058 234 L CA -0.622 54.271 54.840 0.089 0.000 0.803 234 L CB 1.166 43.295 42.059 0.116 0.000 1.212 234 L HN 0.522 nan 8.230 nan 0.000 0.451 235 A N 1.871 124.706 122.820 0.025 0.000 1.865 235 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 235 A C 0.993 178.546 177.584 -0.051 0.000 1.191 235 A CA 1.774 53.802 52.037 -0.015 0.000 0.623 235 A CB -0.641 18.342 19.000 -0.027 0.000 0.826 235 A HN 0.834 nan 8.150 nan 0.000 0.444 236 G N -4.788 103.968 108.800 -0.073 0.000 3.042 236 G HA2 0.477 4.437 3.960 -0.000 0.000 0.278 236 G HA3 0.477 4.437 3.960 -0.000 0.000 0.278 236 G C -0.556 174.271 174.900 -0.123 0.000 1.371 236 G CA -0.113 44.880 45.100 -0.178 0.000 1.009 236 G HN 0.467 nan 8.290 nan 0.000 0.523 237 H N -0.733 118.283 119.070 -0.090 0.000 2.592 237 H HA -0.164 4.392 4.556 -0.000 0.000 0.323 237 H C 1.505 176.784 175.328 -0.080 0.000 1.117 237 H CA 1.085 57.087 56.048 -0.078 0.000 1.120 237 H CB -1.324 28.408 29.762 -0.050 0.000 1.561 237 H HN 0.659 nan 8.280 nan 0.000 0.409 238 I N -2.213 118.314 120.570 -0.071 0.000 3.428 238 I HA -0.035 4.135 4.170 -0.000 0.000 0.286 238 I C 1.907 177.986 176.117 -0.064 0.000 1.287 238 I CA 1.260 62.530 61.300 -0.049 0.000 1.396 238 I CB 0.073 38.045 38.000 -0.047 0.000 1.062 238 I HN 0.233 nan 8.210 nan 0.000 0.471 239 T N -2.627 111.848 114.554 -0.132 0.000 3.105 239 T HA 0.120 4.469 4.350 -0.000 0.000 0.253 239 T C 0.808 175.556 174.700 0.080 0.000 1.047 239 T CA -0.103 61.950 62.100 -0.077 0.000 0.944 239 T CB -0.367 68.308 68.868 -0.323 0.000 1.016 239 T HN 0.280 nan 8.240 nan 0.000 0.544 240 T N 1.700 116.258 114.554 0.006 0.000 2.874 240 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 240 T C -0.460 174.065 174.700 -0.293 0.000 0.994 240 T CA -0.387 61.639 62.100 -0.123 0.000 1.015 240 T CB 1.174 70.019 68.868 -0.038 0.000 1.028 240 T HN 0.375 nan 8.240 nan 0.000 0.523 241 S N 0.719 116.013 115.700 -0.676 0.000 2.521 241 S HA 0.733 5.203 4.470 -0.000 0.000 0.295 241 S C -0.340 174.071 174.600 -0.314 0.000 1.098 241 S CA -0.263 57.623 58.200 -0.522 0.000 0.999 241 S CB 1.241 63.923 63.200 -0.862 0.000 1.034 241 S HN 1.051 nan 8.310 nan 0.000 0.483 242 G N 4.691 113.408 108.800 -0.138 0.000 3.982 242 G HA2 0.414 4.374 3.960 -0.000 0.000 0.274 242 G HA3 0.414 4.374 3.960 -0.000 0.000 0.274 242 G C -3.222 171.608 174.900 -0.117 0.000 1.847 242 G CA -0.811 44.248 45.100 -0.069 0.000 0.608 242 G HN 0.553 nan 8.290 nan 0.000 0.407 243 P HA 0.122 nan 4.420 nan 0.000 0.277 243 P C -0.614 176.554 177.300 -0.219 0.000 1.276 243 P CA -0.294 62.677 63.100 -0.215 0.000 0.788 243 P CB 0.833 32.313 31.700 -0.367 0.000 1.114 244 H N -0.760 118.090 119.070 -0.367 0.000 2.594 244 H HA 0.349 4.905 4.556 -0.000 0.000 0.304 244 H C -0.836 174.249 175.328 -0.405 0.000 1.068 244 H CA -0.444 55.390 56.048 -0.357 0.000 1.308 244 H CB 0.284 29.850 29.762 -0.326 0.000 1.409 244 H HN 0.176 nan 8.280 nan 0.000 0.460 245 T N 6.389 120.770 114.554 -0.288 0.000 2.812 245 T HA 0.228 4.578 4.350 -0.000 0.000 0.282 245 T C -0.302 174.085 174.700 -0.523 0.000 0.990 245 T CA -0.743 60.999 62.100 -0.596 0.000 0.960 245 T CB 1.242 69.686 68.868 -0.707 0.000 0.948 245 T HN 0.582 nan 8.240 nan 0.000 0.438 246 R N 2.911 123.062 120.500 -0.582 0.000 2.295 246 R HA 0.460 4.799 4.340 -0.000 0.000 0.324 246 R C -1.301 174.767 176.300 -0.386 0.000 0.968 246 R CA -0.580 55.305 56.100 -0.358 0.000 0.837 246 R CB 0.410 30.553 30.300 -0.262 0.000 1.133 246 R HN 0.448 nan 8.270 nan 0.000 0.450 247 F N 2.329 122.235 119.950 -0.073 0.000 2.411 247 F HA 0.277 4.804 4.527 -0.000 0.000 0.355 247 F C 0.278 176.126 175.800 0.079 0.000 1.117 247 F CA -0.041 57.965 58.000 0.010 0.000 1.139 247 F CB 2.118 41.114 39.000 -0.007 0.000 1.120 247 F HN 0.318 nan 8.300 nan 0.000 0.493 248 T N 3.701 118.443 114.554 0.314 0.000 2.864 248 T HA 0.208 4.557 4.350 -0.000 0.000 0.299 248 T C -0.525 174.347 174.700 0.286 0.000 1.011 248 T CA -0.834 61.407 62.100 0.235 0.000 0.975 248 T CB 1.001 69.952 68.868 0.137 0.000 0.962 248 T HN 0.508 nan 8.240 nan 0.000 0.448 249 E N 1.292 121.642 120.200 0.251 0.000 2.199 249 E HA -0.215 4.135 4.350 -0.000 0.000 0.208 249 E C -0.646 176.168 176.600 0.357 0.000 1.310 249 E CA 0.382 56.924 56.400 0.237 0.000 0.709 249 E CB -1.042 28.783 29.700 0.208 0.000 1.127 249 E HN 0.698 nan 8.360 nan 0.000 0.354 250 F N 1.813 121.899 119.950 0.227 0.000 2.404 250 F HA 0.148 4.675 4.527 -0.000 0.000 0.358 250 F C 0.943 176.856 175.800 0.189 0.000 1.120 250 F CA -0.526 57.647 58.000 0.289 0.000 1.144 250 F CB 0.509 39.764 39.000 0.424 0.000 1.133 250 F HN 0.008 nan 8.300 nan 0.000 0.495 251 H N 6.138 125.046 119.070 -0.269 0.000 2.800 251 H HA 0.337 4.893 4.556 -0.000 0.000 0.291 251 H C -0.528 174.688 175.328 -0.185 0.000 1.076 251 H CA -0.437 55.517 56.048 -0.157 0.000 1.452 251 H CB 1.053 30.734 29.762 -0.135 0.000 1.461 251 H HN 0.321 nan 8.280 nan 0.000 0.488 252 V N 6.330 126.310 119.914 0.110 0.000 2.555 252 V HA 0.207 4.327 4.120 -0.000 0.000 0.302 252 V C -2.142 174.082 176.094 0.216 0.000 1.038 252 V CA -2.282 60.115 62.300 0.162 0.000 0.887 252 V CB 1.776 33.723 31.823 0.206 0.000 0.991 252 V HN 0.638 nan 8.190 nan 0.000 0.434 253 P HA 0.090 nan 4.420 nan 0.000 0.268 253 P C 0.516 177.997 177.300 0.302 0.000 1.205 253 P CA 0.130 63.357 63.100 0.213 0.000 0.771 253 P CB 0.415 32.213 31.700 0.163 0.000 0.858 254 H N 3.219 122.452 119.070 0.272 0.000 2.460 254 H HA -0.192 4.363 4.556 -0.000 0.000 0.297 254 H C 1.351 176.804 175.328 0.208 0.000 1.103 254 H CA 2.073 58.331 56.048 0.350 0.000 1.292 254 H CB 0.043 29.970 29.762 0.276 0.000 1.376 254 H HN 0.531 nan 8.280 nan 0.000 0.531 255 E N -1.039 119.253 120.200 0.154 0.000 2.516 255 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 255 E C 1.038 177.687 176.600 0.082 0.000 1.069 255 E CA 0.623 57.078 56.400 0.092 0.000 0.876 255 E CB -0.099 29.684 29.700 0.139 0.000 0.843 255 E HN 0.609 nan 8.360 nan 0.000 0.530 256 N N 0.209 118.934 118.700 0.042 0.000 2.254 256 N HA 0.067 4.807 4.740 -0.000 0.000 0.190 256 N C -0.337 175.066 175.510 -0.179 0.000 1.107 256 N CA -0.403 52.646 53.050 -0.002 0.000 0.869 256 N CB 0.406 38.933 38.487 0.067 0.000 0.983 256 N HN 0.092 nan 8.380 nan 0.000 0.487 257 L N 2.296 123.361 121.223 -0.263 0.000 2.534 257 L HA 0.010 4.349 4.340 -0.000 0.000 0.271 257 L C 1.001 177.699 176.870 -0.286 0.000 1.178 257 L CA 0.378 54.981 54.840 -0.394 0.000 0.907 257 L CB 0.740 42.467 42.059 -0.555 0.000 1.164 257 L HN 0.129 nan 8.230 nan 0.000 0.482 258 L N 6.271 127.331 121.223 -0.272 0.000 2.395 258 L HA 0.161 4.501 4.340 -0.000 0.000 0.218 258 L C 0.548 177.319 176.870 -0.165 0.000 1.130 258 L CA 1.029 55.740 54.840 -0.214 0.000 0.826 258 L CB 0.057 41.982 42.059 -0.225 0.000 0.941 258 L HN 0.880 nan 8.230 nan 0.000 0.451 259 C N -4.949 114.244 119.300 -0.179 0.000 3.233 259 C HA 0.396 4.855 4.460 -0.000 0.000 0.358 259 C C 0.151 175.067 174.990 -0.124 0.000 1.461 259 C CA -0.489 58.454 59.018 -0.125 0.000 1.180 259 C CB 0.323 28.006 27.740 -0.095 0.000 1.604 259 C HN 0.157 nan 8.230 nan 0.000 0.437 260 T N 2.953 117.472 114.554 -0.058 0.000 2.867 260 T HA 0.400 4.749 4.350 -0.000 0.000 0.297 260 T C -2.411 172.263 174.700 -0.044 0.000 0.989 260 T CA 0.304 62.394 62.100 -0.016 0.000 1.159 260 T CB -0.288 68.593 68.868 0.021 0.000 0.928 260 T HN 0.728 nan 8.240 nan 0.000 0.538 261 P HA 0.366 nan 4.420 nan 0.000 0.265 261 P C 0.757 178.050 177.300 -0.011 0.000 1.187 261 P CA 0.786 63.855 63.100 -0.051 0.000 0.766 261 P CB 0.259 31.956 31.700 -0.004 0.000 0.820 262 G N 0.432 109.222 108.800 -0.018 0.000 2.318 262 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.367 262 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.367 262 G C 0.493 175.376 174.900 -0.027 0.000 1.260 262 G CA -0.413 44.678 45.100 -0.015 0.000 1.055 262 G HN 0.410 nan 8.290 nan 0.000 0.484 263 L N 0.062 121.265 121.223 -0.033 0.000 2.151 263 L HA -0.176 4.163 4.340 -0.000 0.000 0.215 263 L C 2.970 179.810 176.870 -0.049 0.000 1.084 263 L CA 2.307 57.121 54.840 -0.043 0.000 0.764 263 L CB -0.378 41.656 42.059 -0.041 0.000 0.891 263 L HN 0.603 nan 8.230 nan 0.000 0.435 264 K N -0.437 119.934 120.400 -0.049 0.000 2.097 264 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 264 K C 2.254 178.815 176.600 -0.065 0.000 1.050 264 K CA 1.167 57.416 56.287 -0.064 0.000 0.938 264 K CB -0.156 32.309 32.500 -0.059 0.000 0.718 264 K HN 0.315 nan 8.250 nan 0.000 0.442 265 A N 0.968 123.759 122.820 -0.050 0.000 1.873 265 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 265 A C 2.148 179.739 177.584 0.012 0.000 1.186 265 A CA 1.188 53.202 52.037 -0.039 0.000 0.616 265 A CB -0.492 18.479 19.000 -0.047 0.000 0.823 265 A HN 0.216 nan 8.150 nan 0.000 0.442 266 Q N 0.064 119.883 119.800 0.032 0.000 2.135 266 Q HA -0.159 4.180 4.340 -0.000 0.000 0.204 266 Q C 2.081 178.120 176.000 0.065 0.000 0.981 266 Q CA 2.068 57.929 55.803 0.096 0.000 0.856 266 Q CB -0.802 27.933 28.738 -0.005 0.000 0.902 266 Q HN 0.572 nan 8.270 nan 0.000 0.425 267 G N 1.069 109.852 108.800 -0.029 0.000 2.440 267 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 267 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 267 G C 1.613 176.427 174.900 -0.143 0.000 1.154 267 G CA 0.760 45.794 45.100 -0.111 0.000 0.767 267 G HN 0.362 nan 8.290 nan 0.000 0.552 268 L N 0.148 121.305 121.223 -0.110 0.000 2.083 268 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 268 L C 3.003 179.818 176.870 -0.091 0.000 1.083 268 L CA 0.498 55.263 54.840 -0.124 0.000 0.752 268 L CB -0.375 41.617 42.059 -0.112 0.000 0.899 268 L HN 0.118 nan 8.230 nan 0.000 0.433 269 V N -0.289 119.619 119.914 -0.008 0.000 2.270 269 V HA -0.287 3.832 4.120 -0.000 0.000 0.245 269 V C 2.450 178.642 176.094 0.163 0.000 1.043 269 V CA 1.941 64.276 62.300 0.059 0.000 1.014 269 V CB -0.460 31.474 31.823 0.185 0.000 0.645 269 V HN 0.498 nan 8.190 nan 0.000 0.447 270 E N 0.124 120.446 120.200 0.203 0.000 2.070 270 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 270 E C 2.167 178.910 176.600 0.239 0.000 1.004 270 E CA 2.118 58.670 56.400 0.253 0.000 0.805 270 E CB -0.135 29.702 29.700 0.229 0.000 0.744 270 E HN 0.636 nan 8.360 nan 0.000 0.451 271 T N 0.432 114.998 114.554 0.020 0.000 2.821 271 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 271 T C 1.802 176.529 174.700 0.045 0.000 1.046 271 T CA 1.037 63.117 62.100 -0.032 0.000 1.139 271 T CB -0.199 68.433 68.868 -0.394 0.000 0.871 271 T HN 0.334 nan 8.240 nan 0.000 0.454 272 A N 1.010 123.789 122.820 -0.069 0.000 1.858 272 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 272 A C 1.962 179.421 177.584 -0.208 0.000 1.190 272 A CA 1.233 53.150 52.037 -0.199 0.000 0.617 272 A CB -1.027 17.754 19.000 -0.365 0.000 0.827 272 A HN 0.506 nan 8.150 nan 0.000 0.443 273 F N 0.037 119.959 119.950 -0.047 0.000 2.293 273 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 273 F C 2.710 178.501 175.800 -0.015 0.000 1.086 273 F CA 0.636 58.593 58.000 -0.072 0.000 1.375 273 F CB -0.082 38.839 39.000 -0.131 0.000 1.045 273 F HN 0.277 nan 8.300 nan 0.000 0.516 274 A N 0.264 123.232 122.820 0.247 0.000 1.902 274 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 274 A C 2.243 179.898 177.584 0.118 0.000 1.181 274 A CA 1.492 53.645 52.037 0.192 0.000 0.623 274 A CB -0.587 18.601 19.000 0.313 0.000 0.818 274 A HN 0.284 nan 8.150 nan 0.000 0.443 275 M N 0.367 120.037 119.600 0.117 0.000 2.067 275 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 275 M C 2.560 178.865 176.300 0.008 0.000 1.069 275 M CA 2.003 57.338 55.300 0.057 0.000 1.117 275 M CB -0.850 31.769 32.600 0.033 0.000 1.334 275 M HN 0.634 nan 8.290 nan 0.000 0.407 276 S N 0.872 116.556 115.700 -0.026 0.000 2.419 276 S HA -0.042 4.428 4.470 -0.000 0.000 0.233 276 S C 2.103 176.673 174.600 -0.049 0.000 1.016 276 S CA 0.962 59.128 58.200 -0.057 0.000 0.974 276 S CB -0.660 62.475 63.200 -0.108 0.000 0.786 276 S HN 0.435 nan 8.310 nan 0.000 0.492 277 A N 2.222 125.038 122.820 -0.006 0.000 1.908 277 A HA 0.162 4.482 4.320 -0.000 0.000 0.218 277 A C 2.563 180.135 177.584 -0.020 0.000 1.181 277 A CA 1.977 54.002 52.037 -0.020 0.000 0.627 277 A CB -1.523 17.480 19.000 0.006 0.000 0.818 277 A HN 0.919 nan 8.150 nan 0.000 0.445 278 A N -0.604 122.214 122.820 -0.003 0.000 1.898 278 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 278 A C 2.151 179.736 177.584 0.002 0.000 1.181 278 A CA 1.425 53.467 52.037 0.009 0.000 0.620 278 A CB -0.504 18.510 19.000 0.024 0.000 0.819 278 A HN 0.465 nan 8.150 nan 0.000 0.442 279 L N -0.773 120.440 121.223 -0.016 0.000 2.156 279 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 279 L C 2.321 179.139 176.870 -0.087 0.000 1.095 279 L CA 0.422 55.247 54.840 -0.026 0.000 0.770 279 L CB -0.273 41.773 42.059 -0.021 0.000 0.914 279 L HN 0.215 nan 8.230 nan 0.000 0.439 280 V N 0.339 120.185 119.914 -0.114 0.000 2.720 280 V HA -0.189 3.931 4.120 -0.000 0.000 0.256 280 V C 2.440 178.400 176.094 -0.223 0.000 1.082 280 V CA 1.788 63.984 62.300 -0.174 0.000 1.101 280 V CB -0.726 31.009 31.823 -0.145 0.000 0.693 280 V HN 0.578 nan 8.190 nan 0.000 0.479 281 G N -0.688 108.035 108.800 -0.128 0.000 2.471 281 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 281 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 281 G C 1.675 176.498 174.900 -0.127 0.000 1.125 281 G CA 0.847 45.882 45.100 -0.109 0.000 0.775 281 G HN 0.598 nan 8.290 nan 0.000 0.548 282 A N 0.594 123.344 122.820 -0.117 0.000 1.929 282 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 282 A C 2.403 179.867 177.584 -0.200 0.000 1.176 282 A CA 1.369 53.362 52.037 -0.074 0.000 0.628 282 A CB -0.269 18.734 19.000 0.006 0.000 0.816 282 A HN 0.368 nan 8.150 nan 0.000 0.444 283 M N -0.263 119.052 119.600 -0.475 0.000 2.084 283 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 283 M C 2.598 178.515 176.300 -0.638 0.000 1.072 283 M CA 1.639 56.402 55.300 -0.895 0.000 1.107 283 M CB -0.639 31.196 32.600 -1.274 0.000 1.299 283 M HN 0.427 nan 8.290 nan 0.000 0.413 284 A N 0.793 123.124 122.820 -0.814 0.000 1.909 284 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 284 A C 2.107 179.655 177.584 -0.060 0.000 1.223 284 A CA 2.276 54.067 52.037 -0.410 0.000 0.658 284 A CB -1.289 17.566 19.000 -0.242 0.000 0.831 284 A HN 0.525 nan 8.150 nan 0.000 0.462 285 I N -0.732 119.793 120.570 -0.074 0.000 2.252 285 I HA -0.166 4.003 4.170 -0.000 0.000 0.245 285 I C 2.715 178.867 176.117 0.058 0.000 1.102 285 I CA 0.975 62.270 61.300 -0.008 0.000 1.385 285 I CB -0.701 37.283 38.000 -0.026 0.000 1.064 285 I HN 0.421 nan 8.210 nan 0.000 0.414 286 G N 0.394 109.245 108.800 0.085 0.000 2.480 286 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 286 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 286 G C 1.651 176.671 174.900 0.200 0.000 1.200 286 G CA 1.564 46.769 45.100 0.175 0.000 0.782 286 G HN 0.265 nan 8.290 nan 0.000 0.554 287 T N 1.666 116.374 114.554 0.258 0.000 2.684 287 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 287 T C 2.769 177.582 174.700 0.188 0.000 1.036 287 T CA 1.816 64.076 62.100 0.266 0.000 1.148 287 T CB -0.431 68.695 68.868 0.431 0.000 0.863 287 T HN 0.395 nan 8.240 nan 0.000 0.436 288 A N 1.092 124.017 122.820 0.175 0.000 1.969 288 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 288 A C 2.289 179.974 177.584 0.169 0.000 1.169 288 A CA 1.424 53.550 52.037 0.149 0.000 0.635 288 A CB -0.504 18.557 19.000 0.100 0.000 0.810 288 A HN 0.384 nan 8.150 nan 0.000 0.445 289 R N -0.471 120.120 120.500 0.152 0.000 2.075 289 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 289 R C 2.370 178.788 176.300 0.197 0.000 1.126 289 R CA 1.247 57.464 56.100 0.195 0.000 0.963 289 R CB -0.351 30.038 30.300 0.148 0.000 0.858 289 R HN 0.474 nan 8.270 nan 0.000 0.435 290 A N 0.881 123.776 122.820 0.125 0.000 1.865 290 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 290 A C 2.350 179.931 177.584 -0.005 0.000 1.191 290 A CA 1.875 53.939 52.037 0.045 0.000 0.623 290 A CB -1.019 17.994 19.000 0.023 0.000 0.826 290 A HN 0.508 nan 8.150 nan 0.000 0.444 291 A N -0.756 122.091 122.820 0.045 0.000 1.869 291 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 291 A C 2.123 179.858 177.584 0.252 0.000 1.203 291 A CA 2.056 54.178 52.037 0.141 0.000 0.638 291 A CB -1.067 18.102 19.000 0.281 0.000 0.831 291 A HN 1.014 nan 8.150 nan 0.000 0.450 292 F N 0.851 120.874 119.950 0.121 0.000 2.161 292 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 292 F C 2.090 177.951 175.800 0.100 0.000 1.089 292 F CA 2.338 60.404 58.000 0.111 0.000 1.282 292 F CB -0.272 38.771 39.000 0.072 0.000 1.010 292 F HN 0.408 nan 8.300 nan 0.000 0.485 293 E N -0.115 120.009 120.200 -0.125 0.000 2.076 293 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 293 E C 2.140 178.649 176.600 -0.152 0.000 0.979 293 E CA 1.082 57.348 56.400 -0.224 0.000 0.807 293 E CB -0.236 29.448 29.700 -0.027 0.000 0.761 293 E HN 0.607 nan 8.360 nan 0.000 0.454 294 E N 0.896 121.039 120.200 -0.095 0.000 2.023 294 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 294 E C 2.059 178.711 176.600 0.086 0.000 1.003 294 E CA 1.212 57.567 56.400 -0.076 0.000 0.809 294 E CB -0.118 29.390 29.700 -0.320 0.000 0.755 294 E HN 0.203 nan 8.360 nan 0.000 0.449 295 A N 1.064 124.021 122.820 0.229 0.000 1.884 295 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 295 A C 2.220 179.844 177.584 0.067 0.000 1.197 295 A CA 1.883 54.048 52.037 0.213 0.000 0.637 295 A CB -1.014 18.099 19.000 0.189 0.000 0.827 295 A HN 0.433 nan 8.150 nan 0.000 0.450 296 L N -0.164 120.952 121.223 -0.179 0.000 1.989 296 L HA -0.127 4.212 4.340 -0.000 0.000 0.211 296 L C 2.414 179.223 176.870 -0.103 0.000 1.071 296 L CA 2.173 56.864 54.840 -0.248 0.000 0.749 296 L CB -0.588 41.118 42.059 -0.589 0.000 0.890 296 L HN 0.159 nan 8.230 nan 0.000 0.431 297 V N -0.461 119.406 119.914 -0.078 0.000 2.332 297 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 297 V C 2.314 178.417 176.094 0.015 0.000 1.055 297 V CA 2.214 64.490 62.300 -0.040 0.000 1.038 297 V CB -0.883 30.924 31.823 -0.026 0.000 0.651 297 V HN 0.584 nan 8.190 nan 0.000 0.450 298 F N 1.502 121.424 119.950 -0.047 0.000 2.102 298 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 298 F C 2.320 178.104 175.800 -0.026 0.000 1.105 298 F CA 1.574 59.566 58.000 -0.012 0.000 1.239 298 F CB -0.463 38.564 39.000 0.046 0.000 0.991 298 F HN 0.076 nan 8.300 nan 0.000 0.474 299 A N -0.035 122.874 122.820 0.148 0.000 2.076 299 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 299 A C 2.049 179.559 177.584 -0.123 0.000 1.160 299 A CA 1.948 54.007 52.037 0.036 0.000 0.653 299 A CB -0.628 18.425 19.000 0.088 0.000 0.801 299 A HN 0.559 nan 8.150 nan 0.000 0.455 300 K N -0.593 119.685 120.400 -0.204 0.000 2.354 300 K HA 0.056 4.376 4.320 -0.000 0.000 0.194 300 K C 1.267 177.444 176.600 -0.706 0.000 1.038 300 K CA 0.772 56.841 56.287 -0.363 0.000 1.052 300 K CB 0.370 32.727 32.500 -0.238 0.000 0.861 300 K HN 0.537 nan 8.250 nan 0.000 0.535 301 S N -0.210 115.206 115.700 -0.474 0.000 2.578 301 S HA 0.150 4.619 4.470 -0.000 0.000 0.231 301 S C -0.226 174.243 174.600 -0.219 0.000 0.994 301 S CA -0.521 57.450 58.200 -0.382 0.000 0.956 301 S CB 0.387 63.459 63.200 -0.214 0.000 0.870 301 S HN -0.013 nan 8.310 nan 0.000 0.494 302 D N 1.332 121.590 120.400 -0.237 0.000 2.936 302 D HA 0.274 4.913 4.640 -0.000 0.000 0.238 302 D C 0.230 176.459 176.300 -0.118 0.000 1.248 302 D CA -0.049 53.765 54.000 -0.309 0.000 0.903 302 D CB 2.454 42.659 40.800 -0.993 0.000 1.544 302 D HN 0.202 nan 8.370 nan 0.000 0.543 303 T N 0.397 114.921 114.554 -0.051 0.000 3.001 303 T HA 0.111 4.461 4.350 -0.000 0.000 0.251 303 T C 1.010 175.719 174.700 0.016 0.000 1.040 303 T CA -0.120 61.967 62.100 -0.023 0.000 0.985 303 T CB 0.327 69.145 68.868 -0.083 0.000 1.011 303 T HN 0.460 nan 8.240 nan 0.000 0.509 304 R N 0.977 121.478 120.500 0.001 0.000 3.146 304 R HA -0.111 4.229 4.340 -0.000 0.000 0.250 304 R C 1.202 177.534 176.300 0.053 0.000 0.912 304 R CA 0.858 56.995 56.100 0.061 0.000 0.633 304 R CB -2.045 28.326 30.300 0.119 0.000 1.180 304 R HN 1.087 nan 8.270 nan 0.000 0.464 305 G N -1.700 107.119 108.800 0.030 0.000 2.205 305 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.269 305 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.269 305 G C 0.628 175.538 174.900 0.016 0.000 0.977 305 G CA 0.783 45.896 45.100 0.021 0.000 0.652 305 G HN 1.019 nan 8.290 nan 0.000 0.539 306 G N -1.034 107.780 108.800 0.023 0.000 2.671 306 G HA2 0.642 4.601 3.960 -0.000 0.000 0.275 306 G HA3 0.642 4.601 3.960 -0.000 0.000 0.275 306 G C 1.218 176.113 174.900 -0.009 0.000 1.368 306 G CA 0.844 45.961 45.100 0.029 0.000 1.044 306 G HN 1.090 nan 8.290 nan 0.000 0.543 307 S N -1.464 114.230 115.700 -0.009 0.000 2.458 307 S HA 0.117 4.587 4.470 -0.000 0.000 0.223 307 S C 0.835 175.369 174.600 -0.110 0.000 1.019 307 S CA 0.652 58.821 58.200 -0.050 0.000 0.937 307 S CB -0.236 62.944 63.200 -0.032 0.000 0.788 307 S HN 0.724 nan 8.310 nan 0.000 0.511 308 K N 0.292 120.626 120.400 -0.110 0.000 2.340 308 K HA 0.429 4.749 4.320 -0.000 0.000 0.244 308 K C -1.126 175.351 176.600 -0.204 0.000 0.973 308 K CA -0.938 55.229 56.287 -0.199 0.000 0.828 308 K CB 0.673 33.072 32.500 -0.167 0.000 1.226 308 K HN -0.002 nan 8.250 nan 0.000 0.437 309 H N 1.592 120.580 119.070 -0.137 0.000 2.972 309 H HA -0.019 4.536 4.556 -0.000 0.000 0.343 309 H C 1.447 176.661 175.328 -0.190 0.000 1.054 309 H CA -0.014 55.947 56.048 -0.145 0.000 1.412 309 H CB 0.571 30.259 29.762 -0.123 0.000 1.385 309 H HN 0.548 nan 8.280 nan 0.000 0.600 310 I N 3.127 123.707 120.570 0.017 0.000 2.300 310 I HA -0.285 3.885 4.170 -0.000 0.000 0.252 310 I C 2.554 178.686 176.117 0.026 0.000 1.119 310 I CA 1.082 62.416 61.300 0.057 0.000 1.384 310 I CB -0.755 37.317 38.000 0.120 0.000 1.062 310 I HN 0.664 nan 8.210 nan 0.000 0.426 311 I N 0.559 121.130 120.570 0.002 0.000 2.700 311 I HA -0.224 3.946 4.170 -0.000 0.000 0.261 311 I C 1.777 177.872 176.117 -0.038 0.000 1.219 311 I CA 1.026 62.329 61.300 0.004 0.000 1.463 311 I CB -0.058 37.939 38.000 -0.005 0.000 1.092 311 I HN 0.237 nan 8.210 nan 0.000 0.452 312 E N -0.232 119.880 120.200 -0.146 0.000 2.481 312 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 312 E C 0.099 176.589 176.600 -0.183 0.000 1.047 312 E CA 0.286 56.586 56.400 -0.167 0.000 0.867 312 E CB -0.122 29.460 29.700 -0.195 0.000 0.858 312 E HN 0.498 nan 8.360 nan 0.000 0.513 313 H N 1.439 120.529 119.070 0.034 0.000 2.690 313 H HA 0.149 4.704 4.556 -0.000 0.000 0.314 313 H C 1.334 176.679 175.328 0.029 0.000 1.069 313 H CA -0.007 56.057 56.048 0.028 0.000 1.436 313 H CB 0.963 30.743 29.762 0.029 0.000 1.462 313 H HN 0.095 nan 8.280 nan 0.000 0.511 314 Q N 2.019 121.910 119.800 0.152 0.000 2.096 314 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 314 Q C 1.815 177.863 176.000 0.080 0.000 0.993 314 Q CA 2.062 57.919 55.803 0.089 0.000 0.862 314 Q CB 0.061 28.838 28.738 0.065 0.000 0.915 314 Q HN 0.541 nan 8.270 nan 0.000 0.416 315 S N 0.111 115.858 115.700 0.078 0.000 2.382 315 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 315 S C 2.154 176.797 174.600 0.071 0.000 1.027 315 S CA 1.174 59.409 58.200 0.058 0.000 0.991 315 S CB -0.178 63.042 63.200 0.034 0.000 0.823 315 S HN 0.165 nan 8.310 nan 0.000 0.469 316 V N 2.179 122.156 119.914 0.106 0.000 2.261 316 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 316 V C 2.710 178.862 176.094 0.097 0.000 1.047 316 V CA 1.705 64.071 62.300 0.110 0.000 1.015 316 V CB -1.374 30.541 31.823 0.154 0.000 0.642 316 V HN 0.535 nan 8.190 nan 0.000 0.446 317 A N -0.052 122.823 122.820 0.091 0.000 1.948 317 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 317 A C 1.973 179.606 177.584 0.082 0.000 1.177 317 A CA 2.232 54.318 52.037 0.082 0.000 0.636 317 A CB -0.728 18.311 19.000 0.065 0.000 0.815 317 A HN 0.552 nan 8.150 nan 0.000 0.449 318 D N -0.180 120.262 120.400 0.069 0.000 2.123 318 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 318 D C 1.915 178.252 176.300 0.062 0.000 0.992 318 D CA 1.142 55.177 54.000 0.057 0.000 0.833 318 D CB -0.140 40.687 40.800 0.045 0.000 0.954 318 D HN 0.241 nan 8.370 nan 0.000 0.455 319 K N 0.257 120.698 120.400 0.069 0.000 2.147 319 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 319 K C 2.326 178.997 176.600 0.118 0.000 1.049 319 K CA 0.371 56.703 56.287 0.074 0.000 0.936 319 K CB -0.389 32.150 32.500 0.065 0.000 0.722 319 K HN 0.279 nan 8.250 nan 0.000 0.446 320 L N 0.198 121.512 121.223 0.153 0.000 2.095 320 L HA -0.038 4.302 4.340 -0.000 0.000 0.204 320 L C 2.380 179.397 176.870 0.244 0.000 1.080 320 L CA 0.560 55.564 54.840 0.273 0.000 0.759 320 L CB -0.326 41.875 42.059 0.236 0.000 0.914 320 L HN 0.032 nan 8.230 nan 0.000 0.439 321 I N 0.189 120.842 120.570 0.137 0.000 2.118 321 I HA -0.348 3.821 4.170 -0.000 0.000 0.241 321 I C 2.119 178.251 176.117 0.024 0.000 1.070 321 I CA 1.454 62.795 61.300 0.068 0.000 1.327 321 I CB -0.456 37.575 38.000 0.051 0.000 1.034 321 I HN 0.296 nan 8.210 nan 0.000 0.405 322 D N 0.506 120.927 120.400 0.035 0.000 2.149 322 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 322 D C 2.278 178.569 176.300 -0.015 0.000 0.990 322 D CA 1.329 55.337 54.000 0.013 0.000 0.839 322 D CB -0.520 40.294 40.800 0.024 0.000 0.948 322 D HN 0.414 nan 8.370 nan 0.000 0.460 323 C N 0.696 120.000 119.300 0.006 0.000 2.432 323 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 323 C C 2.527 177.344 174.990 -0.289 0.000 1.249 323 C CA 0.270 59.258 59.018 -0.049 0.000 1.725 323 C CB -0.583 27.238 27.740 0.135 0.000 2.028 323 C HN 0.222 nan 8.230 nan 0.000 0.477 324 K N 1.648 121.787 120.400 -0.435 0.000 2.020 324 K HA -0.101 4.219 4.320 -0.000 0.000 0.212 324 K C 1.606 178.027 176.600 -0.298 0.000 1.050 324 K CA 1.736 57.671 56.287 -0.588 0.000 0.929 324 K CB -0.889 31.401 32.500 -0.349 0.000 0.714 324 K HN 0.511 nan 8.250 nan 0.000 0.443 325 I N 0.653 121.126 120.570 -0.163 0.000 2.151 325 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 325 I C 2.385 178.464 176.117 -0.064 0.000 1.080 325 I CA 1.553 62.797 61.300 -0.094 0.000 1.339 325 I CB -0.255 37.718 38.000 -0.044 0.000 1.039 325 I HN 0.195 nan 8.210 nan 0.000 0.409 326 R N 0.473 120.933 120.500 -0.066 0.000 2.096 326 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 326 R C 2.307 178.566 176.300 -0.067 0.000 1.127 326 R CA 1.252 57.327 56.100 -0.042 0.000 0.968 326 R CB -0.503 29.745 30.300 -0.086 0.000 0.861 326 R HN 0.379 nan 8.270 nan 0.000 0.440 327 L N 0.377 121.515 121.223 -0.143 0.000 2.005 327 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 327 L C 2.583 179.363 176.870 -0.149 0.000 1.072 327 L CA 1.263 56.010 54.840 -0.155 0.000 0.744 327 L CB -0.400 41.511 42.059 -0.246 0.000 0.895 327 L HN 0.113 nan 8.230 nan 0.000 0.433 328 E N 0.337 120.434 120.200 -0.172 0.000 2.023 328 E HA -0.234 4.115 4.350 -0.000 0.000 0.196 328 E C 2.121 178.632 176.600 -0.148 0.000 1.003 328 E CA 2.399 58.692 56.400 -0.179 0.000 0.809 328 E CB -0.298 29.300 29.700 -0.170 0.000 0.755 328 E HN 0.527 nan 8.360 nan 0.000 0.449 329 T N -1.992 112.523 114.554 -0.065 0.000 2.759 329 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 329 T C 2.180 176.902 174.700 0.037 0.000 1.042 329 T CA 1.668 63.753 62.100 -0.025 0.000 1.140 329 T CB -0.623 68.263 68.868 0.031 0.000 0.864 329 T HN 0.025 nan 8.240 nan 0.000 0.455 330 S N 1.087 116.865 115.700 0.130 0.000 2.368 330 S HA -0.003 4.466 4.470 -0.000 0.000 0.224 330 S C 2.134 176.709 174.600 -0.042 0.000 1.029 330 S CA 1.117 59.395 58.200 0.129 0.000 0.988 330 S CB -0.358 62.868 63.200 0.044 0.000 0.838 330 S HN 0.567 nan 8.310 nan 0.000 0.462 331 R N 0.595 120.988 120.500 -0.179 0.000 2.066 331 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 331 R C 1.933 177.901 176.300 -0.554 0.000 1.131 331 R CA 0.962 56.820 56.100 -0.403 0.000 0.955 331 R CB -0.421 29.547 30.300 -0.553 0.000 0.851 331 R HN 0.204 nan 8.270 nan 0.000 0.432 332 L N 0.917 121.890 121.223 -0.416 0.000 2.010 332 L HA -0.260 4.080 4.340 -0.000 0.000 0.219 332 L C 2.298 179.147 176.870 -0.036 0.000 1.077 332 L CA 1.580 56.300 54.840 -0.200 0.000 0.773 332 L CB -1.204 40.757 42.059 -0.164 0.000 0.892 332 L HN 0.305 nan 8.230 nan 0.000 0.436 333 L N -1.174 120.023 121.223 -0.044 0.000 2.017 333 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 333 L C 2.468 179.376 176.870 0.064 0.000 1.073 333 L CA 1.418 56.263 54.840 0.007 0.000 0.745 333 L CB -0.570 41.484 42.059 -0.008 0.000 0.894 333 L HN 0.043 nan 8.230 nan 0.000 0.432 334 V N -1.371 118.582 119.914 0.065 0.000 2.332 334 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 334 V C 2.266 178.530 176.094 0.284 0.000 1.055 334 V CA 1.881 64.265 62.300 0.139 0.000 1.038 334 V CB -0.910 30.992 31.823 0.132 0.000 0.651 334 V HN 0.541 nan 8.190 nan 0.000 0.450 335 W N 0.511 121.830 121.300 0.032 0.000 2.388 335 W HA -0.079 4.581 4.660 -0.000 0.000 0.294 335 W C 2.498 179.031 176.519 0.023 0.000 1.212 335 W CA 1.232 58.598 57.345 0.034 0.000 1.271 335 W CB -0.953 28.546 29.460 0.064 0.000 1.126 335 W HN 0.200 nan 8.180 nan 0.000 0.535 336 K N 0.841 121.391 120.400 0.249 0.000 2.097 336 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 336 K C 2.063 178.712 176.600 0.080 0.000 1.049 336 K CA 2.018 58.384 56.287 0.132 0.000 0.933 336 K CB -0.670 31.885 32.500 0.092 0.000 0.717 336 K HN -0.062 nan 8.250 nan 0.000 0.442 337 A N 0.108 122.977 122.820 0.082 0.000 1.930 337 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 337 A C 2.218 179.827 177.584 0.042 0.000 1.176 337 A CA 1.468 53.532 52.037 0.044 0.000 0.632 337 A CB -0.727 18.298 19.000 0.041 0.000 0.819 337 A HN 0.222 nan 8.150 nan 0.000 0.445 338 V N -3.476 116.478 119.914 0.068 0.000 2.488 338 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 338 V C 2.139 178.252 176.094 0.031 0.000 1.046 338 V CA 2.488 64.817 62.300 0.049 0.000 1.053 338 V CB -1.578 30.276 31.823 0.052 0.000 0.679 338 V HN 0.335 nan 8.190 nan 0.000 0.458 339 T N 0.921 115.494 114.554 0.031 0.000 2.788 339 T HA -0.138 4.211 4.350 -0.000 0.000 0.268 339 T C 1.918 176.624 174.700 0.010 0.000 1.044 339 T CA 2.373 64.480 62.100 0.011 0.000 1.139 339 T CB -0.535 68.339 68.868 0.011 0.000 0.867 339 T HN 0.714 nan 8.240 nan 0.000 0.454 340 T N 2.112 116.674 114.554 0.013 0.000 2.788 340 T HA 0.022 4.372 4.350 -0.000 0.000 0.268 340 T C 1.860 176.569 174.700 0.015 0.000 1.044 340 T CA 0.873 62.975 62.100 0.003 0.000 1.139 340 T CB -0.323 68.537 68.868 -0.013 0.000 0.867 340 T HN 0.266 nan 8.240 nan 0.000 0.454 341 L N 0.402 121.642 121.223 0.028 0.000 2.217 341 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 341 L C 2.508 179.428 176.870 0.084 0.000 1.107 341 L CA 1.153 56.035 54.840 0.069 0.000 0.783 341 L CB -0.284 41.822 42.059 0.078 0.000 0.919 341 L HN 0.283 nan 8.230 nan 0.000 0.442 342 E N -1.078 119.151 120.200 0.048 0.000 2.442 342 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 342 E C 0.166 176.784 176.600 0.030 0.000 1.030 342 E CA -0.117 56.304 56.400 0.035 0.000 0.869 342 E CB 0.262 29.971 29.700 0.016 0.000 0.857 342 E HN 0.223 nan 8.360 nan 0.000 0.505 343 D N 1.201 121.619 120.400 0.031 0.000 2.325 343 D HA 0.007 4.647 4.640 -0.000 0.000 0.251 343 D C 0.496 176.819 176.300 0.039 0.000 1.196 343 D CA 0.252 54.267 54.000 0.024 0.000 0.866 343 D CB 0.982 41.790 40.800 0.014 0.000 1.101 343 D HN -0.008 nan 8.370 nan 0.000 0.476 344 E N 2.269 122.488 120.200 0.031 0.000 2.158 344 E HA -0.073 4.276 4.350 -0.000 0.000 0.191 344 E C 1.586 178.208 176.600 0.037 0.000 0.982 344 E CA 0.520 56.941 56.400 0.036 0.000 0.823 344 E CB 0.142 29.856 29.700 0.024 0.000 0.766 344 E HN 0.573 nan 8.360 nan 0.000 0.468 345 A N 0.834 123.671 122.820 0.029 0.000 2.248 345 A HA -0.023 4.297 4.320 -0.000 0.000 0.210 345 A C 0.842 178.446 177.584 0.032 0.000 1.174 345 A CA 0.574 52.627 52.037 0.027 0.000 0.750 345 A CB -0.257 18.754 19.000 0.019 0.000 0.780 345 A HN 0.070 nan 8.150 nan 0.000 0.478 346 L N 0.226 121.474 121.223 0.041 0.000 2.329 346 L HA 0.304 4.643 4.340 -0.000 0.000 0.279 346 L C 0.029 176.940 176.870 0.068 0.000 1.014 346 L CA -0.712 54.152 54.840 0.041 0.000 0.814 346 L CB 1.645 43.718 42.059 0.024 0.000 1.257 346 L HN 0.225 nan 8.230 nan 0.000 0.424 347 E N 1.892 122.128 120.200 0.061 0.000 2.415 347 E HA -0.132 4.218 4.350 -0.000 0.000 0.262 347 E C 0.221 176.895 176.600 0.123 0.000 1.038 347 E CA 0.175 56.634 56.400 0.098 0.000 0.921 347 E CB 1.086 30.828 29.700 0.070 0.000 0.950 347 E HN 0.656 nan 8.360 nan 0.000 0.438 348 W N 4.937 126.243 121.300 0.009 0.000 2.335 348 W HA -0.260 4.400 4.660 -0.000 0.000 0.311 348 W C 1.828 178.358 176.519 0.017 0.000 1.213 348 W CA 1.596 58.947 57.345 0.011 0.000 1.274 348 W CB -0.041 29.423 29.460 0.007 0.000 1.148 348 W HN 0.553 nan 8.180 nan 0.000 0.498 349 K N 0.942 121.274 120.400 -0.112 0.000 2.173 349 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 349 K C 1.615 178.088 176.600 -0.212 0.000 1.046 349 K CA 2.092 58.269 56.287 -0.183 0.000 0.929 349 K CB -1.120 31.378 32.500 -0.003 0.000 0.720 349 K HN 0.239 nan 8.250 nan 0.000 0.453 350 V N 1.600 121.421 119.914 -0.155 0.000 2.379 350 V HA -0.171 3.948 4.120 -0.000 0.000 0.245 350 V C 2.511 178.485 176.094 -0.199 0.000 1.044 350 V CA 1.946 64.169 62.300 -0.128 0.000 1.036 350 V CB -0.392 31.390 31.823 -0.068 0.000 0.664 350 V HN 0.361 nan 8.190 nan 0.000 0.453 351 K N -0.215 120.002 120.400 -0.305 0.000 2.001 351 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 351 K C 2.146 178.382 176.600 -0.607 0.000 1.048 351 K CA 1.425 57.470 56.287 -0.404 0.000 0.932 351 K CB -0.511 31.750 32.500 -0.399 0.000 0.715 351 K HN 0.218 nan 8.250 nan 0.000 0.437 352 L N 2.226 122.830 121.223 -1.033 0.000 1.997 352 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 352 L C 2.412 179.086 176.870 -0.327 0.000 1.074 352 L CA 1.896 56.299 54.840 -0.728 0.000 0.763 352 L CB -0.439 41.196 42.059 -0.707 0.000 0.890 352 L HN 0.265 nan 8.230 nan 0.000 0.434 353 E N -1.047 119.004 120.200 -0.248 0.000 2.077 353 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 353 E C 2.184 178.728 176.600 -0.094 0.000 0.989 353 E CA 1.733 58.059 56.400 -0.124 0.000 0.800 353 E CB -0.139 29.538 29.700 -0.040 0.000 0.746 353 E HN 0.472 nan 8.360 nan 0.000 0.452 354 M N 0.935 120.472 119.600 -0.105 0.000 2.117 354 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 354 M C 2.045 178.312 176.300 -0.054 0.000 1.065 354 M CA 1.883 57.146 55.300 -0.062 0.000 1.114 354 M CB -0.519 32.047 32.600 -0.056 0.000 1.361 354 M HN 0.139 nan 8.290 nan 0.000 0.408 355 A N -0.343 122.423 122.820 -0.089 0.000 1.969 355 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 355 A C 2.034 179.599 177.584 -0.033 0.000 1.169 355 A CA 1.767 53.771 52.037 -0.055 0.000 0.635 355 A CB -0.561 18.394 19.000 -0.075 0.000 0.810 355 A HN 0.531 nan 8.150 nan 0.000 0.445 356 M N -0.594 118.978 119.600 -0.047 0.000 2.123 356 M HA -0.119 4.360 4.480 -0.000 0.000 0.263 356 M C 2.205 178.502 176.300 -0.004 0.000 1.069 356 M CA 1.315 56.599 55.300 -0.028 0.000 1.133 356 M CB -1.678 30.895 32.600 -0.044 0.000 1.356 356 M HN 0.510 nan 8.290 nan 0.000 0.415 357 Q N -0.441 119.356 119.800 -0.005 0.000 2.133 357 Q HA -0.180 4.160 4.340 -0.000 0.000 0.208 357 Q C 1.981 178.017 176.000 0.060 0.000 0.991 357 Q CA 2.256 58.072 55.803 0.022 0.000 0.867 357 Q CB -0.337 28.405 28.738 0.007 0.000 0.911 357 Q HN 0.526 nan 8.270 nan 0.000 0.417 358 T N 0.627 115.207 114.554 0.044 0.000 2.777 358 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 358 T C 1.714 176.460 174.700 0.077 0.000 1.040 358 T CA 0.911 63.053 62.100 0.069 0.000 1.141 358 T CB -0.016 68.878 68.868 0.043 0.000 0.868 358 T HN 0.071 nan 8.240 nan 0.000 0.444 359 K N 1.280 121.705 120.400 0.042 0.000 2.025 359 K HA 0.067 4.387 4.320 -0.000 0.000 0.207 359 K C 2.219 178.848 176.600 0.048 0.000 1.049 359 K CA 1.135 57.438 56.287 0.027 0.000 0.933 359 K CB -0.669 31.832 32.500 0.002 0.000 0.714 359 K HN 0.354 nan 8.250 nan 0.000 0.438 360 I N 0.148 120.751 120.570 0.055 0.000 2.127 360 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 360 I C 2.477 178.649 176.117 0.092 0.000 1.075 360 I CA 1.608 62.946 61.300 0.062 0.000 1.334 360 I CB -0.520 37.514 38.000 0.057 0.000 1.040 360 I HN 0.134 nan 8.210 nan 0.000 0.405 361 Y N 1.926 122.228 120.300 0.003 0.000 2.089 361 Y HA -0.337 4.213 4.550 -0.000 0.000 0.282 361 Y C 3.007 178.910 175.900 0.005 0.000 1.139 361 Y CA 2.420 60.522 58.100 0.003 0.000 1.123 361 Y CB -0.871 37.588 38.460 -0.002 0.000 0.980 361 Y HN 0.318 nan 8.280 nan 0.000 0.493 362 T N -2.800 111.756 114.554 0.004 0.000 2.788 362 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 362 T C 1.847 176.479 174.700 -0.113 0.000 1.044 362 T CA 2.100 64.137 62.100 -0.106 0.000 1.139 362 T CB -1.388 67.486 68.868 0.009 0.000 0.867 362 T HN 0.590 nan 8.240 nan 0.000 0.454 363 T N -0.336 114.199 114.554 -0.032 0.000 2.812 363 T HA -0.065 4.284 4.350 -0.000 0.000 0.264 363 T C 1.699 176.410 174.700 0.018 0.000 1.042 363 T CA 1.171 63.300 62.100 0.049 0.000 1.140 363 T CB -0.594 68.348 68.868 0.123 0.000 0.870 363 T HN 0.206 nan 8.240 nan 0.000 0.445 364 D N 0.811 121.183 120.400 -0.047 0.000 2.144 364 D HA -0.001 4.639 4.640 -0.000 0.000 0.199 364 D C 2.159 178.395 176.300 -0.106 0.000 0.984 364 D CA 0.607 54.571 54.000 -0.061 0.000 0.834 364 D CB -0.367 40.398 40.800 -0.059 0.000 0.955 364 D HN 0.291 nan 8.370 nan 0.000 0.465 365 V N 0.455 120.234 119.914 -0.224 0.000 3.052 365 V HA -0.005 4.114 4.120 -0.000 0.000 0.254 365 V C 2.220 178.231 176.094 -0.138 0.000 1.100 365 V CA 1.129 63.270 62.300 -0.265 0.000 1.112 365 V CB -0.061 31.370 31.823 -0.654 0.000 0.738 365 V HN 0.142 nan 8.190 nan 0.000 0.469 366 A N -0.013 122.758 122.820 -0.081 0.000 1.902 366 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 366 A C 2.348 179.957 177.584 0.043 0.000 1.181 366 A CA 2.148 54.195 52.037 0.017 0.000 0.623 366 A CB -0.628 18.439 19.000 0.112 0.000 0.818 366 A HN 0.332 nan 8.150 nan 0.000 0.443 367 V N 0.206 120.136 119.914 0.027 0.000 2.255 367 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 367 V C 2.414 178.513 176.094 0.009 0.000 1.051 367 V CA 2.405 64.713 62.300 0.013 0.000 1.018 367 V CB -0.989 30.833 31.823 -0.003 0.000 0.641 367 V HN 0.645 nan 8.190 nan 0.000 0.445 368 E N -1.127 119.068 120.200 -0.009 0.000 2.130 368 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 368 E C 2.255 178.861 176.600 0.011 0.000 0.998 368 E CA 1.736 58.131 56.400 -0.008 0.000 0.806 368 E CB -0.360 29.323 29.700 -0.029 0.000 0.738 368 E HN 0.666 nan 8.360 nan 0.000 0.459 369 C N 0.082 119.394 119.300 0.019 0.000 2.476 369 C HA -0.073 4.387 4.460 -0.000 0.000 0.278 369 C C 2.713 177.764 174.990 0.101 0.000 1.274 369 C CA 0.451 59.500 59.018 0.052 0.000 1.713 369 C CB -0.663 27.104 27.740 0.044 0.000 2.039 369 C HN 0.203 nan 8.230 nan 0.000 0.484 370 V N 1.125 121.103 119.914 0.106 0.000 2.270 370 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 370 V C 2.249 178.394 176.094 0.085 0.000 1.043 370 V CA 2.324 64.715 62.300 0.151 0.000 1.014 370 V CB -0.607 31.299 31.823 0.138 0.000 0.645 370 V HN 0.531 nan 8.190 nan 0.000 0.447 371 I N 0.247 120.840 120.570 0.039 0.000 2.194 371 I HA -0.301 3.868 4.170 -0.000 0.000 0.246 371 I C 2.264 178.366 176.117 -0.025 0.000 1.093 371 I CA 1.885 63.183 61.300 -0.003 0.000 1.355 371 I CB -0.489 37.511 38.000 -0.000 0.000 1.046 371 I HN 0.352 nan 8.210 nan 0.000 0.413 372 D N 0.704 121.107 120.400 0.004 0.000 2.123 372 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 372 D C 2.245 178.545 176.300 -0.001 0.000 0.976 372 D CA 1.384 55.388 54.000 0.007 0.000 0.831 372 D CB -0.144 40.677 40.800 0.034 0.000 0.974 372 D HN 0.310 nan 8.370 nan 0.000 0.469 373 A N 0.685 123.524 122.820 0.031 0.000 1.873 373 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 373 A C 2.272 179.678 177.584 -0.296 0.000 1.193 373 A CA 1.773 53.818 52.037 0.013 0.000 0.629 373 A CB -0.679 18.459 19.000 0.230 0.000 0.826 373 A HN 0.177 nan 8.150 nan 0.000 0.447 374 M N -0.716 118.602 119.600 -0.471 0.000 2.073 374 M HA -0.240 4.240 4.480 -0.000 0.000 0.258 374 M C 2.205 178.284 176.300 -0.368 0.000 1.070 374 M CA 2.171 57.072 55.300 -0.665 0.000 1.103 374 M CB -0.481 31.886 32.600 -0.388 0.000 1.321 374 M HN 0.369 nan 8.290 nan 0.000 0.405 375 K N 0.165 120.444 120.400 -0.201 0.000 2.032 375 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 375 K C 2.063 178.603 176.600 -0.100 0.000 1.048 375 K CA 1.660 57.873 56.287 -0.123 0.000 0.927 375 K CB -0.363 32.096 32.500 -0.069 0.000 0.712 375 K HN 0.346 nan 8.250 nan 0.000 0.441 376 A N 0.862 123.634 122.820 -0.081 0.000 1.968 376 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 376 A C 2.322 179.902 177.584 -0.007 0.000 1.169 376 A CA 1.015 53.046 52.037 -0.011 0.000 0.638 376 A CB -0.348 18.673 19.000 0.036 0.000 0.812 376 A HN 0.074 nan 8.150 nan 0.000 0.446 377 V N -0.972 118.850 119.914 -0.154 0.000 2.548 377 V HA 0.203 4.323 4.120 -0.000 0.000 0.249 377 V C 1.748 177.688 176.094 -0.256 0.000 1.055 377 V CA 1.293 63.400 62.300 -0.322 0.000 1.065 377 V CB -1.377 30.061 31.823 -0.642 0.000 0.681 377 V HN 1.134 nan 8.190 nan 0.000 0.462 378 G N -0.799 107.881 108.800 -0.199 0.000 2.527 378 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.227 378 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.227 378 G C 0.405 175.228 174.900 -0.127 0.000 1.291 378 G CA 0.251 45.281 45.100 -0.117 0.000 0.904 378 G HN 0.146 nan 8.290 nan 0.000 0.577 379 M N 0.582 120.140 119.600 -0.071 0.000 2.144 379 M HA -0.008 4.472 4.480 -0.000 0.000 0.260 379 M C 2.314 178.606 176.300 -0.013 0.000 1.067 379 M CA 2.874 58.147 55.300 -0.046 0.000 1.095 379 M CB -0.710 31.875 32.600 -0.026 0.000 1.365 379 M HN 0.573 nan 8.290 nan 0.000 0.406 380 K N -0.685 119.684 120.400 -0.052 0.000 2.280 380 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 380 K C 1.786 178.362 176.600 -0.040 0.000 1.047 380 K CA 1.453 57.714 56.287 -0.044 0.000 0.942 380 K CB -0.347 32.093 32.500 -0.100 0.000 0.739 380 K HN 0.585 nan 8.250 nan 0.000 0.457 381 S N -0.298 115.326 115.700 -0.127 0.000 2.507 381 S HA -0.153 4.316 4.470 -0.000 0.000 0.235 381 S C 1.589 176.221 174.600 0.053 0.000 0.988 381 S CA 0.543 58.665 58.200 -0.131 0.000 0.944 381 S CB -0.263 62.551 63.200 -0.643 0.000 0.762 381 S HN 0.366 nan 8.310 nan 0.000 0.526 382 Y N 2.172 122.435 120.300 -0.063 0.000 2.462 382 Y HA 0.589 5.139 4.550 -0.000 0.000 0.261 382 Y C 0.917 176.815 175.900 -0.003 0.000 1.146 382 Y CA -0.489 57.592 58.100 -0.032 0.000 1.283 382 Y CB -0.151 38.280 38.460 -0.048 0.000 1.090 382 Y HN 0.426 nan 8.280 nan 0.000 0.526 383 A N 0.274 123.109 122.820 0.026 0.000 2.306 383 A HA 0.382 4.702 4.320 -0.000 0.000 0.330 383 A C 0.504 178.070 177.584 -0.030 0.000 1.146 383 A CA -0.751 51.276 52.037 -0.018 0.000 0.827 383 A CB 0.831 19.849 19.000 0.030 0.000 1.178 383 A HN 0.354 nan 8.150 nan 0.000 0.490 384 K N 0.919 121.289 120.400 -0.049 0.000 2.546 384 K HA 0.001 4.320 4.320 -0.000 0.000 0.198 384 K C -0.219 176.362 176.600 -0.031 0.000 1.028 384 K CA 0.610 56.869 56.287 -0.047 0.000 1.150 384 K CB 0.144 32.609 32.500 -0.058 0.000 0.876 384 K HN 0.772 nan 8.250 nan 0.000 0.508 385 D N -0.082 120.309 120.400 -0.014 0.000 2.349 385 D HA 0.012 4.651 4.640 -0.000 0.000 0.214 385 D C 0.583 176.879 176.300 -0.007 0.000 1.063 385 D CA 0.040 54.033 54.000 -0.011 0.000 0.847 385 D CB 0.276 41.077 40.800 0.001 0.000 0.933 385 D HN 0.096 nan 8.370 nan 0.000 0.513 386 M N -0.362 119.240 119.600 0.003 0.000 2.753 386 M HA 0.255 4.735 4.480 -0.000 0.000 0.299 386 M C 0.884 177.141 176.300 -0.072 0.000 1.219 386 M CA -0.781 54.512 55.300 -0.011 0.000 0.900 386 M CB 2.086 34.756 32.600 0.116 0.000 1.628 386 M HN -0.317 nan 8.290 nan 0.000 0.502 387 S N -0.309 115.255 115.700 -0.227 0.000 2.478 387 S HA 0.067 4.537 4.470 -0.000 0.000 0.222 387 S C 1.371 175.849 174.600 -0.204 0.000 1.008 387 S CA 0.507 58.558 58.200 -0.248 0.000 0.928 387 S CB -0.104 62.879 63.200 -0.363 0.000 0.781 387 S HN 0.488 nan 8.310 nan 0.000 0.518 388 F N 2.676 122.593 119.950 -0.056 0.000 2.063 388 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 388 F C -0.376 175.378 175.800 -0.076 0.000 1.109 388 F CA 1.232 59.199 58.000 -0.056 0.000 1.212 388 F CB -2.147 36.821 39.000 -0.054 0.000 0.973 388 F HN 0.216 nan 8.300 nan 0.000 0.480 389 P HA -0.208 nan 4.420 nan 0.000 0.218 389 P C 1.534 178.802 177.300 -0.053 0.000 1.148 389 P CA 1.738 64.814 63.100 -0.040 0.000 0.822 389 P CB -0.247 31.372 31.700 -0.134 0.000 0.784 390 R N 0.197 120.664 120.500 -0.054 0.000 2.066 390 R HA -0.034 4.305 4.340 -0.000 0.000 0.232 390 R C 2.511 178.758 176.300 -0.089 0.000 1.131 390 R CA 1.061 57.114 56.100 -0.078 0.000 0.955 390 R CB -0.818 29.439 30.300 -0.071 0.000 0.851 390 R HN 0.123 nan 8.270 nan 0.000 0.432 391 L N 0.932 122.124 121.223 -0.052 0.000 2.079 391 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 391 L C 2.533 179.386 176.870 -0.027 0.000 1.081 391 L CA 0.829 55.653 54.840 -0.027 0.000 0.752 391 L CB -0.458 41.606 42.059 0.009 0.000 0.896 391 L HN 0.312 nan 8.230 nan 0.000 0.433 392 L N -0.309 120.910 121.223 -0.007 0.000 2.072 392 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 392 L C 2.239 179.060 176.870 -0.082 0.000 1.079 392 L CA 1.697 56.526 54.840 -0.018 0.000 0.752 392 L CB -0.559 41.506 42.059 0.011 0.000 0.906 392 L HN 0.213 nan 8.230 nan 0.000 0.436 393 N N -0.287 118.349 118.700 -0.108 0.000 2.270 393 N HA -0.148 4.592 4.740 -0.000 0.000 0.181 393 N C 1.644 177.018 175.510 -0.228 0.000 1.016 393 N CA 1.409 54.377 53.050 -0.138 0.000 0.870 393 N CB 0.021 38.434 38.487 -0.123 0.000 0.979 393 N HN 0.571 nan 8.380 nan 0.000 0.431 394 E N 0.428 120.441 120.200 -0.312 0.000 2.112 394 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 394 E C 1.921 178.190 176.600 -0.552 0.000 0.979 394 E CA 0.376 56.455 56.400 -0.536 0.000 0.814 394 E CB 0.094 29.451 29.700 -0.571 0.000 0.762 394 E HN -0.007 nan 8.360 nan 0.000 0.460 395 V N 1.119 120.792 119.914 -0.401 0.000 2.427 395 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 395 V C 1.967 177.800 176.094 -0.435 0.000 1.051 395 V CA 1.168 63.197 62.300 -0.452 0.000 1.048 395 V CB -0.130 31.651 31.823 -0.071 0.000 0.666 395 V HN 0.324 nan 8.190 nan 0.000 0.456 396 M N -1.283 118.150 119.600 -0.278 0.000 2.539 396 M HA -0.159 4.320 4.480 -0.000 0.000 0.261 396 M C 2.219 178.376 176.300 -0.239 0.000 1.069 396 M CA 1.350 56.534 55.300 -0.192 0.000 1.081 396 M CB -2.084 30.443 32.600 -0.122 0.000 1.412 396 M HN 0.624 nan 8.290 nan 0.000 0.482 397 C N -0.105 118.945 119.300 -0.416 0.000 2.466 397 C HA -0.182 4.278 4.460 -0.000 0.000 0.278 397 C C 2.563 177.353 174.990 -0.333 0.000 1.288 397 C CA 0.551 59.305 59.018 -0.440 0.000 1.722 397 C CB -0.906 26.483 27.740 -0.584 0.000 2.017 397 C HN 0.491 nan 8.230 nan 0.000 0.488 398 Y N 2.279 122.462 120.300 -0.194 0.000 2.097 398 Y HA -0.023 4.527 4.550 -0.000 0.000 0.282 398 Y C 0.126 176.136 175.900 0.185 0.000 1.152 398 Y CA 1.329 59.453 58.100 0.040 0.000 1.136 398 Y CB -2.584 35.896 38.460 0.034 0.000 0.975 398 Y HN 0.370 nan 8.280 nan 0.000 0.498 399 P HA -0.114 nan 4.420 nan 0.000 0.222 399 P C 1.509 178.861 177.300 0.087 0.000 1.147 399 P CA 1.530 64.699 63.100 0.116 0.000 0.790 399 P CB -0.066 31.664 31.700 0.049 0.000 0.780 400 L N -1.967 119.308 121.223 0.087 0.000 2.221 400 L HA 0.141 4.480 4.340 -0.000 0.000 0.202 400 L C 1.702 178.601 176.870 0.048 0.000 1.074 400 L CA 0.226 55.071 54.840 0.008 0.000 0.795 400 L CB -0.427 41.588 42.059 -0.073 0.000 0.960 400 L HN -0.018 nan 8.230 nan 0.000 0.458 401 F N -0.358 119.524 119.950 -0.114 0.000 2.410 401 F HA 0.448 4.975 4.527 -0.000 0.000 0.324 401 F C 0.802 176.554 175.800 -0.079 0.000 1.093 401 F CA -0.885 57.035 58.000 -0.134 0.000 1.028 401 F CB 0.964 39.901 39.000 -0.105 0.000 1.309 401 F HN -0.068 nan 8.300 nan 0.000 0.499 402 E N 1.203 121.084 120.200 -0.531 0.000 2.553 402 E HA -0.062 4.288 4.350 -0.000 0.000 0.264 402 E C -0.185 176.233 176.600 -0.304 0.000 1.068 402 E CA 1.003 57.055 56.400 -0.580 0.000 0.774 402 E CB -1.601 27.475 29.700 -1.040 0.000 1.349 402 E HN 1.800 nan 8.360 nan 0.000 0.404 403 G N -1.183 107.437 108.800 -0.301 0.000 3.445 403 G HA2 0.184 4.144 3.960 -0.000 0.000 0.634 403 G HA3 0.184 4.144 3.960 -0.000 0.000 0.634 403 G C 0.477 175.295 174.900 -0.137 0.000 0.909 403 G CA 0.299 45.251 45.100 -0.247 0.000 0.740 403 G HN 1.030 nan 8.290 nan 0.000 0.441 404 G N 1.459 110.192 108.800 -0.112 0.000 2.527 404 G HA2 0.425 4.385 3.960 -0.000 0.000 0.248 404 G HA3 0.425 4.385 3.960 -0.000 0.000 0.248 404 G C 0.961 175.836 174.900 -0.041 0.000 1.231 404 G CA 0.129 45.193 45.100 -0.061 0.000 0.838 404 G HN 0.654 nan 8.290 nan 0.000 0.570 405 N N 0.517 119.206 118.700 -0.017 0.000 2.216 405 N HA -0.104 4.635 4.740 -0.000 0.000 0.183 405 N C 2.138 177.639 175.510 -0.014 0.000 1.017 405 N CA 0.497 53.541 53.050 -0.009 0.000 0.861 405 N CB -0.013 38.478 38.487 0.007 0.000 0.986 405 N HN 0.386 nan 8.380 nan 0.000 0.428 406 I N 0.071 120.631 120.570 -0.016 0.000 2.235 406 I HA -0.016 4.154 4.170 -0.000 0.000 0.241 406 I C 2.271 178.379 176.117 -0.016 0.000 1.085 406 I CA 1.148 62.439 61.300 -0.014 0.000 1.378 406 I CB -1.553 36.439 38.000 -0.014 0.000 1.076 406 I HN 0.085 nan 8.210 nan 0.000 0.415 407 G N -0.235 108.553 108.800 -0.020 0.000 2.492 407 G HA2 0.072 4.032 3.960 -0.000 0.000 0.214 407 G HA3 0.072 4.032 3.960 -0.000 0.000 0.214 407 G C 1.724 176.617 174.900 -0.011 0.000 1.147 407 G CA 0.178 45.269 45.100 -0.014 0.000 0.809 407 G HN 0.235 nan 8.290 nan 0.000 0.533 408 L N -1.098 120.110 121.223 -0.025 0.000 2.670 408 L HA 0.296 4.636 4.340 -0.000 0.000 0.177 408 L C 2.826 179.684 176.870 -0.020 0.000 1.181 408 L CA -0.215 54.612 54.840 -0.022 0.000 0.856 408 L CB -0.009 42.012 42.059 -0.063 0.000 1.205 408 L HN -0.138 nan 8.230 nan 0.000 0.506 409 R N 0.574 121.055 120.500 -0.031 0.000 2.115 409 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 409 R C 2.128 178.415 176.300 -0.023 0.000 1.111 409 R CA 1.100 57.185 56.100 -0.025 0.000 0.976 409 R CB -0.753 29.533 30.300 -0.023 0.000 0.870 409 R HN 0.280 nan 8.270 nan 0.000 0.445 410 R N -0.105 120.383 120.500 -0.021 0.000 2.148 410 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 410 R C 2.035 178.314 176.300 -0.035 0.000 1.088 410 R CA 0.905 56.990 56.100 -0.025 0.000 0.985 410 R CB -0.041 30.249 30.300 -0.018 0.000 0.880 410 R HN -0.024 nan 8.270 nan 0.000 0.451 411 R N 0.486 120.970 120.500 -0.028 0.000 2.075 411 R HA 0.002 4.341 4.340 -0.000 0.000 0.226 411 R C 2.123 178.402 176.300 -0.034 0.000 1.114 411 R CA 1.217 57.299 56.100 -0.029 0.000 0.972 411 R CB -0.290 30.002 30.300 -0.014 0.000 0.869 411 R HN 0.261 nan 8.270 nan 0.000 0.437 412 Q N -0.320 119.466 119.800 -0.023 0.000 2.050 412 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 412 Q C 2.104 178.072 176.000 -0.054 0.000 0.980 412 Q CA 1.869 57.660 55.803 -0.021 0.000 0.840 412 Q CB -0.194 28.546 28.738 0.002 0.000 0.898 412 Q HN 0.286 nan 8.270 nan 0.000 0.424 413 M N 0.606 120.167 119.600 -0.066 0.000 2.080 413 M HA -0.289 4.191 4.480 -0.000 0.000 0.260 413 M C 2.321 178.534 176.300 -0.146 0.000 1.068 413 M CA 1.810 57.051 55.300 -0.099 0.000 1.109 413 M CB -0.079 32.474 32.600 -0.079 0.000 1.342 413 M HN 0.152 nan 8.290 nan 0.000 0.405 414 Q N 0.044 119.772 119.800 -0.120 0.000 2.181 414 Q HA -0.244 4.096 4.340 -0.000 0.000 0.205 414 Q C 2.008 177.922 176.000 -0.143 0.000 0.980 414 Q CA 2.359 58.080 55.803 -0.136 0.000 0.862 414 Q CB -0.117 28.567 28.738 -0.090 0.000 0.905 414 Q HN 0.621 nan 8.270 nan 0.000 0.429 415 R N -0.062 120.373 120.500 -0.109 0.000 2.092 415 R HA -0.038 4.301 4.340 -0.000 0.000 0.231 415 R C 2.182 178.407 176.300 -0.125 0.000 1.119 415 R CA 1.522 57.566 56.100 -0.094 0.000 0.970 415 R CB -1.392 28.874 30.300 -0.057 0.000 0.864 415 R HN 0.239 nan 8.270 nan 0.000 0.440 416 V N 1.036 120.858 119.914 -0.154 0.000 2.427 416 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 416 V C 2.650 178.508 176.094 -0.394 0.000 1.051 416 V CA 2.075 64.270 62.300 -0.176 0.000 1.048 416 V CB -0.441 31.302 31.823 -0.132 0.000 0.666 416 V HN 0.549 nan 8.190 nan 0.000 0.456 417 M N -0.121 119.106 119.600 -0.623 0.000 2.229 417 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 417 M C 2.245 178.213 176.300 -0.553 0.000 1.063 417 M CA 1.826 56.476 55.300 -1.084 0.000 1.114 417 M CB -0.479 31.678 32.600 -0.737 0.000 1.387 417 M HN 0.386 nan 8.290 nan 0.000 0.420 418 A N 0.458 123.100 122.820 -0.295 0.000 2.119 418 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 418 A C 1.112 178.644 177.584 -0.087 0.000 1.153 418 A CA 0.236 52.181 52.037 -0.153 0.000 0.692 418 A CB -0.578 18.355 19.000 -0.112 0.000 0.799 418 A HN 0.352 nan 8.150 nan 0.000 0.458 419 L N 0.454 121.631 121.223 -0.076 0.000 2.490 419 L HA -0.009 4.331 4.340 -0.000 0.000 0.274 419 L C 1.469 178.357 176.870 0.030 0.000 1.201 419 L CA -0.269 54.566 54.840 -0.009 0.000 0.869 419 L CB 0.302 42.371 42.059 0.016 0.000 1.123 419 L HN 0.439 nan 8.230 nan 0.000 0.484 420 E N 1.580 121.794 120.200 0.024 0.000 2.097 420 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 420 E C 0.736 177.363 176.600 0.046 0.000 1.000 420 E CA 1.720 58.138 56.400 0.029 0.000 0.804 420 E CB 0.023 29.733 29.700 0.016 0.000 0.740 420 E HN 0.751 nan 8.360 nan 0.000 0.454 421 D N -0.359 120.071 120.400 0.050 0.000 2.413 421 D HA -0.107 4.533 4.640 -0.000 0.000 0.237 421 D C -0.216 176.120 176.300 0.060 0.000 1.171 421 D CA -0.302 53.724 54.000 0.043 0.000 0.839 421 D CB -0.851 39.966 40.800 0.029 0.000 0.950 421 D HN 0.182 nan 8.370 nan 0.000 0.499 422 Y N 1.505 121.773 120.300 -0.054 0.000 2.436 422 Y HA 0.212 4.762 4.550 -0.000 0.000 0.336 422 Y C -0.261 175.579 175.900 -0.100 0.000 1.049 422 Y CA -0.386 57.665 58.100 -0.082 0.000 1.294 422 Y CB 0.673 39.075 38.460 -0.097 0.000 1.179 422 Y HN -0.155 nan 8.280 nan 0.000 0.520 423 E N 9.218 129.047 120.200 -0.619 0.000 2.121 423 E HA 0.152 4.502 4.350 -0.000 0.000 0.255 423 E C -1.836 174.195 176.600 -0.948 0.000 0.906 423 E CA -2.011 54.035 56.400 -0.590 0.000 0.745 423 E CB 0.943 30.492 29.700 -0.252 0.000 1.155 423 E HN 0.610 nan 8.360 nan 0.000 0.424 424 P HA -0.198 nan 4.420 nan 0.000 0.217 424 P C 0.082 176.840 177.300 -0.903 0.000 1.151 424 P CA 1.459 63.739 63.100 -1.368 0.000 0.849 424 P CB 0.107 30.857 31.700 -1.582 0.000 0.787 425 W N -1.653 119.560 121.300 -0.145 0.000 2.966 425 W HA 0.550 5.210 4.660 -0.000 0.000 0.406 425 W C 1.771 178.273 176.519 -0.028 0.000 1.027 425 W CA -0.285 57.043 57.345 -0.029 0.000 1.930 425 W CB -0.076 29.471 29.460 0.145 0.000 1.144 425 W HN -0.127 nan 8.180 nan 0.000 0.626 426 A N 0.599 123.452 122.820 0.055 0.000 2.168 426 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 426 A C 2.014 179.620 177.584 0.037 0.000 1.152 426 A CA 1.629 53.689 52.037 0.039 0.000 0.716 426 A CB -0.333 18.644 19.000 -0.039 0.000 0.794 426 A HN 0.213 nan 8.150 nan 0.000 0.465 427 A N -1.665 121.171 122.820 0.027 0.000 2.238 427 A HA 0.261 4.581 4.320 -0.000 0.000 0.210 427 A C 1.835 179.400 177.584 -0.031 0.000 1.179 427 A CA 1.396 53.432 52.037 -0.002 0.000 0.827 427 A CB -0.155 18.841 19.000 -0.008 0.000 0.856 427 A HN 0.342 nan 8.150 nan 0.000 0.488 428 T N -2.673 111.848 114.554 -0.055 0.000 3.056 428 T HA 0.157 4.507 4.350 -0.000 0.000 0.243 428 T C 1.119 175.647 174.700 -0.287 0.000 0.995 428 T CA 0.762 62.702 62.100 -0.267 0.000 1.091 428 T CB -0.133 68.443 68.868 -0.487 0.000 0.990 428 T HN 0.502 nan 8.240 nan 0.000 0.464 429 Y N 0.871 121.204 120.300 0.055 0.000 2.471 429 Y HA 0.454 5.004 4.550 -0.000 0.000 0.249 429 Y C 1.348 177.265 175.900 0.029 0.000 1.116 429 Y CA -0.210 57.910 58.100 0.034 0.000 1.240 429 Y CB 1.122 39.610 38.460 0.045 0.000 1.251 429 Y HN 0.415 nan 8.280 nan 0.000 0.527 430 G N 0.794 109.687 108.800 0.155 0.000 2.781 430 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.683 430 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.683 430 G C -0.267 174.682 174.900 0.082 0.000 1.390 430 G CA -0.418 44.737 45.100 0.091 0.000 0.850 430 G HN 0.116 nan 8.290 nan 0.000 0.557 431 S N 0.000 115.727 115.700 0.045 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.217 58.200 0.029 0.000 1.107 431 S CB 0.000 63.210 63.200 0.017 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517