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 1ev7_1_B DATA FIRST_RESID 10 DATA SEQUENCE EPDDDLERVR ATLYSLDPDG DRTAGVLRDT LDQLYDGQRT GRWNFDQLHK DATA SEQUENCE TEKTHMGTLV EINLHREFQF GDGFETDYEI AGVQVDCKFS MSQGAWMLPP DATA SEQUENCE ESIGHICLVI WASDQQCAWT AGLVKVIPQF LGTANRDLKR RLTPEGRAQV DATA SEQUENCE VKLWPDHGKL QENLLLHIPG DVRDQIFSAK SXXXXQHGQA RVNELFRRVH DATA SEQUENCE GRLIGRAVIA TVAQQDDFMK RVRGSGGARS ILRPEGIIIL GHQDXXXXXA DATA SEQUENCE NDLGLPVPRK GQVVAARVVP ADEGDQRQTA EIQGRRWAVA VPGDPIVEAP DATA SEQUENCE VV 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 10 E HA 0.000 nan 4.350 nan 0.000 0.291 10 E C 0.000 176.598 176.600 -0.003 0.000 1.382 10 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 10 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 11 P HA -0.006 nan 4.420 nan 0.000 0.230 11 P C 0.544 177.837 177.300 -0.012 0.000 1.168 11 P CA 0.700 63.801 63.100 0.001 0.000 0.793 11 P CB 0.444 32.151 31.700 0.012 0.000 0.851 12 D N -0.018 120.373 120.400 -0.015 0.000 2.213 12 D HA -0.117 4.522 4.640 -0.000 0.000 0.205 12 D C 1.637 177.915 176.300 -0.038 0.000 0.961 12 D CA 0.701 54.683 54.000 -0.029 0.000 0.853 12 D CB -0.201 40.583 40.800 -0.026 0.000 0.967 12 D HN 0.013 nan 8.370 nan 0.000 0.496 13 D N 0.530 120.912 120.400 -0.029 0.000 2.183 13 D HA -0.132 4.508 4.640 -0.000 0.000 0.203 13 D C 1.177 177.455 176.300 -0.036 0.000 0.969 13 D CA 0.735 54.716 54.000 -0.033 0.000 0.842 13 D CB 0.241 41.027 40.800 -0.023 0.000 0.957 13 D HN 0.042 nan 8.370 nan 0.000 0.484 14 D N 0.164 120.547 120.400 -0.029 0.000 2.103 14 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 14 D C 2.107 178.379 176.300 -0.046 0.000 0.978 14 D CA 0.304 54.287 54.000 -0.029 0.000 0.829 14 D CB -0.349 40.444 40.800 -0.013 0.000 0.981 14 D HN 0.195 nan 8.370 nan 0.000 0.464 15 L N 0.654 121.848 121.223 -0.049 0.000 2.079 15 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 15 L C 2.053 178.869 176.870 -0.091 0.000 1.081 15 L CA 1.522 56.321 54.840 -0.069 0.000 0.752 15 L CB -0.012 42.007 42.059 -0.067 0.000 0.896 15 L HN -0.068 nan 8.230 nan 0.000 0.433 16 E N 0.026 120.173 120.200 -0.088 0.000 2.208 16 E HA -0.236 4.113 4.350 -0.000 0.000 0.193 16 E C 2.214 178.749 176.600 -0.107 0.000 0.988 16 E CA 1.043 57.376 56.400 -0.111 0.000 0.828 16 E CB 0.007 29.650 29.700 -0.096 0.000 0.763 16 E HN 0.313 nan 8.360 nan 0.000 0.478 17 R N -0.861 119.592 120.500 -0.079 0.000 2.090 17 R HA 0.012 4.352 4.340 -0.000 0.000 0.228 17 R C 2.094 178.353 176.300 -0.070 0.000 1.110 17 R CA 1.023 57.085 56.100 -0.064 0.000 0.973 17 R CB -0.073 30.201 30.300 -0.044 0.000 0.869 17 R HN 0.092 nan 8.270 nan 0.000 0.440 18 V N 0.563 120.426 119.914 -0.084 0.000 2.307 18 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 18 V C 2.422 178.452 176.094 -0.106 0.000 1.045 18 V CA 1.961 64.200 62.300 -0.102 0.000 1.024 18 V CB -0.566 31.186 31.823 -0.118 0.000 0.651 18 V HN 0.357 nan 8.190 nan 0.000 0.449 19 R N 0.378 120.798 120.500 -0.133 0.000 2.096 19 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 19 R C 2.291 178.494 176.300 -0.163 0.000 1.139 19 R CA 1.953 57.945 56.100 -0.180 0.000 0.952 19 R CB -0.500 29.637 30.300 -0.273 0.000 0.854 19 R HN 0.482 nan 8.270 nan 0.000 0.436 20 A N -0.086 122.639 122.820 -0.158 0.000 1.902 20 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 20 A C 2.183 179.775 177.584 0.013 0.000 1.181 20 A CA 2.028 54.005 52.037 -0.100 0.000 0.623 20 A CB -0.820 18.128 19.000 -0.086 0.000 0.818 20 A HN 0.500 nan 8.150 nan 0.000 0.443 21 T N 0.514 115.071 114.554 0.005 0.000 2.777 21 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 21 T C 1.838 176.590 174.700 0.086 0.000 1.040 21 T CA 1.390 63.516 62.100 0.043 0.000 1.141 21 T CB -0.377 68.501 68.868 0.017 0.000 0.868 21 T HN 0.355 nan 8.240 nan 0.000 0.444 22 L N -0.512 120.750 121.223 0.065 0.000 1.994 22 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 22 L C 2.474 179.522 176.870 0.296 0.000 1.071 22 L CA 1.604 56.509 54.840 0.108 0.000 0.745 22 L CB -0.686 41.392 42.059 0.032 0.000 0.892 22 L HN 0.212 nan 8.230 nan 0.000 0.431 23 Y N -0.182 120.153 120.300 0.059 0.000 2.298 23 Y HA -0.292 4.257 4.550 -0.000 0.000 0.287 23 Y C 3.069 179.090 175.900 0.203 0.000 1.164 23 Y CA 1.566 59.779 58.100 0.188 0.000 1.229 23 Y CB -0.601 37.878 38.460 0.031 0.000 0.977 23 Y HN 0.205 nan 8.280 nan 0.000 0.538 24 S N -0.473 115.395 115.700 0.280 0.000 2.371 24 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 24 S C 1.881 176.591 174.600 0.183 0.000 1.029 24 S CA 1.086 59.403 58.200 0.194 0.000 0.978 24 S CB -0.374 62.906 63.200 0.133 0.000 0.833 24 S HN 0.453 nan 8.310 nan 0.000 0.466 25 L N 0.235 121.574 121.223 0.195 0.000 2.270 25 L HA 0.261 4.600 4.340 -0.000 0.000 0.210 25 L C 0.423 177.446 176.870 0.257 0.000 1.104 25 L CA 0.693 55.657 54.840 0.208 0.000 0.804 25 L CB -0.111 42.069 42.059 0.201 0.000 0.937 25 L HN 0.271 nan 8.230 nan 0.000 0.450 26 D N -0.776 119.793 120.400 0.282 0.000 2.517 26 D HA 0.133 4.773 4.640 -0.000 0.000 0.263 26 D C -1.709 174.736 176.300 0.241 0.000 1.233 26 D CA -1.698 52.442 54.000 0.235 0.000 0.849 26 D CB 0.980 41.945 40.800 0.275 0.000 1.261 26 D HN -0.195 nan 8.370 nan 0.000 0.516 27 P HA -0.152 nan 4.420 nan 0.000 0.216 27 P C 0.279 177.655 177.300 0.127 0.000 1.154 27 P CA 1.330 64.558 63.100 0.213 0.000 0.865 27 P CB 0.525 32.314 31.700 0.148 0.000 0.789 28 D N -2.372 117.949 120.400 -0.131 0.000 2.407 28 D HA 0.159 4.799 4.640 -0.000 0.000 0.208 28 D C 1.457 177.255 176.300 -0.836 0.000 1.083 28 D CA 0.831 54.665 54.000 -0.277 0.000 0.844 28 D CB 0.316 41.049 40.800 -0.111 0.000 0.967 28 D HN 0.236 nan 8.370 nan 0.000 0.506 29 G N 1.934 109.934 108.800 -1.333 0.000 2.141 29 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 29 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 29 G C 0.675 175.190 174.900 -0.640 0.000 0.982 29 G CA 0.314 44.397 45.100 -1.696 0.000 0.662 29 G HN 0.158 nan 8.290 nan 0.000 0.527 30 D N -0.071 120.096 120.400 -0.390 0.000 2.183 30 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 30 D C 2.562 178.718 176.300 -0.240 0.000 0.969 30 D CA 0.847 54.711 54.000 -0.226 0.000 0.842 30 D CB -0.087 40.632 40.800 -0.135 0.000 0.957 30 D HN 0.590 nan 8.370 nan 0.000 0.484 31 R N -0.009 120.365 120.500 -0.211 0.000 2.092 31 R HA -0.019 4.320 4.340 -0.000 0.000 0.231 31 R C 2.198 178.360 176.300 -0.230 0.000 1.119 31 R CA 1.172 57.151 56.100 -0.202 0.000 0.970 31 R CB -0.304 29.915 30.300 -0.135 0.000 0.864 31 R HN 0.064 nan 8.270 nan 0.000 0.440 32 T N 0.793 115.227 114.554 -0.199 0.000 2.857 32 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 32 T C 1.928 176.239 174.700 -0.649 0.000 1.048 32 T CA 1.188 63.129 62.100 -0.264 0.000 1.139 32 T CB -0.109 68.629 68.868 -0.216 0.000 0.874 32 T HN 0.348 nan 8.240 nan 0.000 0.455 33 A N 1.483 123.816 122.820 -0.813 0.000 1.902 33 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 33 A C 2.611 179.886 177.584 -0.515 0.000 1.181 33 A CA 1.849 53.320 52.037 -0.944 0.000 0.623 33 A CB -1.376 17.355 19.000 -0.449 0.000 0.818 33 A HN 0.495 nan 8.150 nan 0.000 0.443 34 G N -0.559 108.035 108.800 -0.343 0.000 2.446 34 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 34 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 34 G C 1.525 176.279 174.900 -0.243 0.000 1.168 34 G CA 1.248 46.203 45.100 -0.240 0.000 0.771 34 G HN 0.316 nan 8.290 nan 0.000 0.551 35 V N 0.929 120.679 119.914 -0.273 0.000 2.332 35 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 35 V C 2.944 178.891 176.094 -0.245 0.000 1.055 35 V CA 1.539 63.697 62.300 -0.237 0.000 1.038 35 V CB -0.379 31.315 31.823 -0.214 0.000 0.651 35 V HN 0.359 nan 8.190 nan 0.000 0.450 36 L N -0.485 120.555 121.223 -0.305 0.000 1.994 36 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 36 L C 2.731 179.465 176.870 -0.226 0.000 1.071 36 L CA 1.966 56.631 54.840 -0.292 0.000 0.745 36 L CB -0.675 41.181 42.059 -0.338 0.000 0.892 36 L HN 0.273 nan 8.230 nan 0.000 0.431 37 R N 0.782 121.163 120.500 -0.198 0.000 2.082 37 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 37 R C 1.876 178.105 176.300 -0.118 0.000 1.136 37 R CA 2.109 58.141 56.100 -0.113 0.000 0.935 37 R CB -0.697 29.552 30.300 -0.084 0.000 0.842 37 R HN 0.274 nan 8.270 nan 0.000 0.430 38 D N -0.805 119.514 120.400 -0.134 0.000 2.149 38 D HA -0.123 4.516 4.640 -0.000 0.000 0.198 38 D C 1.661 177.872 176.300 -0.148 0.000 0.990 38 D CA 1.921 55.848 54.000 -0.121 0.000 0.839 38 D CB -0.339 40.387 40.800 -0.123 0.000 0.948 38 D HN 0.358 nan 8.370 nan 0.000 0.460 39 T N 0.745 115.184 114.554 -0.191 0.000 2.857 39 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 39 T C 2.218 176.752 174.700 -0.276 0.000 1.048 39 T CA 0.294 62.263 62.100 -0.217 0.000 1.139 39 T CB -0.052 68.662 68.868 -0.257 0.000 0.874 39 T HN 0.116 nan 8.240 nan 0.000 0.455 40 L N 0.929 121.964 121.223 -0.315 0.000 2.056 40 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 40 L C 2.453 178.888 176.870 -0.725 0.000 1.078 40 L CA 1.135 55.667 54.840 -0.515 0.000 0.749 40 L CB -0.561 41.282 42.059 -0.361 0.000 0.901 40 L HN 0.150 nan 8.230 nan 0.000 0.433 41 D N -0.345 119.866 120.400 -0.316 0.000 2.097 41 D HA -0.243 4.397 4.640 -0.000 0.000 0.195 41 D C 2.101 178.344 176.300 -0.095 0.000 0.989 41 D CA 1.164 55.106 54.000 -0.096 0.000 0.827 41 D CB -0.189 40.612 40.800 0.002 0.000 0.966 41 D HN 0.370 nan 8.370 nan 0.000 0.456 42 Q N 0.043 119.768 119.800 -0.125 0.000 2.096 42 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 42 Q C 2.185 178.132 176.000 -0.089 0.000 0.982 42 Q CA 0.955 56.708 55.803 -0.083 0.000 0.850 42 Q CB -0.193 28.491 28.738 -0.090 0.000 0.901 42 Q HN 0.170 nan 8.270 nan 0.000 0.422 43 L N 0.171 121.286 121.223 -0.181 0.000 2.017 43 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 43 L C 2.004 178.832 176.870 -0.070 0.000 1.073 43 L CA 1.811 56.555 54.840 -0.160 0.000 0.745 43 L CB -0.783 41.122 42.059 -0.258 0.000 0.894 43 L HN 0.352 nan 8.230 nan 0.000 0.432 44 Y N -0.775 119.508 120.300 -0.028 0.000 2.207 44 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 44 Y C 1.021 176.900 175.900 -0.035 0.000 1.156 44 Y CA 0.442 58.515 58.100 -0.046 0.000 1.182 44 Y CB -0.170 38.281 38.460 -0.016 0.000 0.979 44 Y HN 0.241 nan 8.280 nan 0.000 0.521 45 D N 0.102 120.575 120.400 0.123 0.000 2.697 45 D HA -0.158 4.482 4.640 -0.000 0.000 0.238 45 D C 1.101 177.451 176.300 0.084 0.000 1.152 45 D CA 0.584 54.629 54.000 0.075 0.000 0.666 45 D CB -1.094 39.738 40.800 0.053 0.000 1.037 45 D HN 0.494 nan 8.370 nan 0.000 0.423 46 G N 0.359 109.225 108.800 0.111 0.000 2.440 46 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 46 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 46 G C 1.182 176.115 174.900 0.055 0.000 1.154 46 G CA 1.173 46.331 45.100 0.097 0.000 0.767 46 G HN 0.546 nan 8.290 nan 0.000 0.552 47 Q N -0.123 119.688 119.800 0.017 0.000 2.234 47 Q HA -0.070 4.269 4.340 -0.000 0.000 0.206 47 Q C 2.305 178.334 176.000 0.047 0.000 0.980 47 Q CA 1.039 56.842 55.803 -0.000 0.000 0.869 47 Q CB 0.015 28.762 28.738 0.014 0.000 0.912 47 Q HN 0.480 nan 8.270 nan 0.000 0.436 48 R N -1.532 119.001 120.500 0.054 0.000 2.404 48 R HA 0.092 4.432 4.340 -0.000 0.000 0.237 48 R C 1.307 177.639 176.300 0.054 0.000 0.907 48 R CA 0.964 57.097 56.100 0.056 0.000 1.063 48 R CB 0.858 31.189 30.300 0.052 0.000 1.134 48 R HN 0.251 nan 8.270 nan 0.000 0.529 49 T N -5.077 109.508 114.554 0.052 0.000 2.993 49 T HA 0.211 4.561 4.350 -0.000 0.000 0.260 49 T C 1.425 176.145 174.700 0.034 0.000 0.939 49 T CA 0.498 62.617 62.100 0.031 0.000 0.886 49 T CB 1.118 69.986 68.868 0.001 0.000 1.209 49 T HN 0.202 nan 8.240 nan 0.000 0.518 50 G N 2.438 111.290 108.800 0.086 0.000 2.189 50 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.267 50 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.267 50 G C 0.260 175.200 174.900 0.067 0.000 0.975 50 G CA 0.263 45.465 45.100 0.170 0.000 0.644 50 G HN 0.760 nan 8.290 nan 0.000 0.537 51 R N -1.012 119.455 120.500 -0.054 0.000 2.679 51 R HA 0.432 4.772 4.340 -0.000 0.000 0.269 51 R C 1.068 177.261 176.300 -0.178 0.000 1.076 51 R CA 0.577 56.522 56.100 -0.257 0.000 1.160 51 R CB 0.197 30.333 30.300 -0.273 0.000 1.054 51 R HN 0.731 nan 8.270 nan 0.000 0.507 52 W N 0.257 121.274 121.300 -0.472 0.000 1.583 52 W HA 0.206 4.866 4.660 -0.000 0.000 0.214 52 W C -0.779 175.051 176.519 -1.148 0.000 0.808 52 W CA -0.456 56.467 57.345 -0.704 0.000 0.964 52 W CB 0.105 29.337 29.460 -0.380 0.000 0.909 52 W HN 0.487 nan 8.180 nan 0.000 0.503 53 N N -0.018 117.901 118.700 -1.301 0.000 2.647 53 N HA 0.179 4.919 4.740 -0.000 0.000 0.266 53 N C 0.013 175.364 175.510 -0.266 0.000 1.373 53 N CA -0.526 52.087 53.050 -0.728 0.000 0.807 53 N CB 0.930 39.159 38.487 -0.431 0.000 1.513 53 N HN -0.092 nan 8.380 nan 0.000 0.505 54 F N 1.017 120.948 119.950 -0.031 0.000 2.120 54 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 54 F C 1.481 177.239 175.800 -0.070 0.000 1.095 54 F CA 1.764 59.796 58.000 0.054 0.000 1.249 54 F CB -0.090 38.952 39.000 0.069 0.000 0.995 54 F HN 0.455 nan 8.300 nan 0.000 0.480 55 D N -0.167 120.211 120.400 -0.038 0.000 2.309 55 D HA -0.170 4.470 4.640 -0.000 0.000 0.212 55 D C 1.750 177.868 176.300 -0.304 0.000 0.968 55 D CA 1.078 54.987 54.000 -0.151 0.000 0.882 55 D CB -0.247 40.513 40.800 -0.068 0.000 0.918 55 D HN 0.577 nan 8.370 nan 0.000 0.503 56 Q N -0.083 119.480 119.800 -0.397 0.000 2.360 56 Q HA 0.160 4.500 4.340 -0.000 0.000 0.202 56 Q C 0.600 176.350 176.000 -0.417 0.000 0.915 56 Q CA -0.057 55.488 55.803 -0.430 0.000 0.943 56 Q CB 0.691 29.092 28.738 -0.562 0.000 1.064 56 Q HN 0.247 nan 8.270 nan 0.000 0.511 57 L N 0.915 121.895 121.223 -0.404 0.000 2.436 57 L HA 0.151 4.491 4.340 -0.000 0.000 0.265 57 L C 0.261 176.912 176.870 -0.364 0.000 1.168 57 L CA -0.424 54.193 54.840 -0.372 0.000 0.815 57 L CB 0.336 42.181 42.059 -0.357 0.000 1.109 57 L HN 0.185 nan 8.230 nan 0.000 0.462 58 H N 0.618 119.591 119.070 -0.163 0.000 2.671 58 H HA 0.024 4.580 4.556 -0.000 0.000 0.372 58 H C 0.725 175.965 175.328 -0.146 0.000 1.227 58 H CA -0.048 55.923 56.048 -0.128 0.000 1.426 58 H CB 0.861 30.573 29.762 -0.082 0.000 1.480 58 H HN 0.472 nan 8.280 nan 0.000 0.611 59 K N 0.439 120.853 120.400 0.023 0.000 2.147 59 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 59 K C 1.703 178.263 176.600 -0.066 0.000 1.049 59 K CA 1.802 58.062 56.287 -0.045 0.000 0.936 59 K CB -0.148 32.335 32.500 -0.029 0.000 0.722 59 K HN 0.828 nan 8.250 nan 0.000 0.446 60 T N -1.548 112.992 114.554 -0.024 0.000 2.821 60 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 60 T C 1.568 176.257 174.700 -0.018 0.000 1.046 60 T CA 1.217 63.299 62.100 -0.030 0.000 1.139 60 T CB -0.198 68.713 68.868 0.072 0.000 0.871 60 T HN 0.358 nan 8.240 nan 0.000 0.454 61 E N 1.324 121.530 120.200 0.010 0.000 2.072 61 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 61 E C 2.413 179.001 176.600 -0.020 0.000 0.985 61 E CA 0.978 57.384 56.400 0.010 0.000 0.801 61 E CB -0.084 29.613 29.700 -0.005 0.000 0.750 61 E HN 0.561 nan 8.360 nan 0.000 0.452 62 K N 0.164 120.502 120.400 -0.103 0.000 2.025 62 K HA -0.073 4.246 4.320 -0.000 0.000 0.207 62 K C 2.259 178.902 176.600 0.072 0.000 1.049 62 K CA 1.581 57.837 56.287 -0.052 0.000 0.933 62 K CB -0.149 32.233 32.500 -0.196 0.000 0.714 62 K HN 0.054 nan 8.250 nan 0.000 0.438 63 T N 0.287 114.789 114.554 -0.086 0.000 2.904 63 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 63 T C 1.034 175.611 174.700 -0.206 0.000 1.059 63 T CA 1.035 63.011 62.100 -0.207 0.000 1.137 63 T CB -0.069 68.520 68.868 -0.466 0.000 0.879 63 T HN 0.245 nan 8.240 nan 0.000 0.467 64 H N -0.214 118.913 119.070 0.095 0.000 2.528 64 H HA 0.400 4.956 4.556 -0.000 0.000 0.282 64 H C 1.590 176.974 175.328 0.092 0.000 1.097 64 H CA -0.345 55.756 56.048 0.089 0.000 1.121 64 H CB -0.329 29.466 29.762 0.055 0.000 1.590 64 H HN 0.333 nan 8.280 nan 0.000 0.553 65 M N 0.407 120.127 119.600 0.200 0.000 2.149 65 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 65 M C 2.046 178.422 176.300 0.126 0.000 1.064 65 M CA 2.059 57.447 55.300 0.147 0.000 1.102 65 M CB -0.168 32.562 32.600 0.216 0.000 1.369 65 M HN 0.248 nan 8.290 nan 0.000 0.408 66 G N -0.167 108.800 108.800 0.277 0.000 2.422 66 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 66 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 66 G C 1.488 176.492 174.900 0.173 0.000 1.146 66 G CA 1.542 46.832 45.100 0.317 0.000 0.769 66 G HN 0.656 nan 8.290 nan 0.000 0.547 67 T N -0.205 114.445 114.554 0.160 0.000 2.849 67 T HA 0.000 4.350 4.350 -0.000 0.000 0.270 67 T C 2.374 177.114 174.700 0.067 0.000 1.066 67 T CA 1.074 63.237 62.100 0.105 0.000 1.130 67 T CB -0.263 68.649 68.868 0.073 0.000 0.864 67 T HN 0.209 nan 8.240 nan 0.000 0.481 68 L N 0.422 121.665 121.223 0.034 0.000 2.156 68 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 68 L C 2.916 179.761 176.870 -0.041 0.000 1.095 68 L CA 0.661 55.493 54.840 -0.014 0.000 0.770 68 L CB -0.457 41.572 42.059 -0.050 0.000 0.914 68 L HN 0.200 nan 8.230 nan 0.000 0.439 69 V N -0.156 119.706 119.914 -0.087 0.000 2.379 69 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 69 V C 2.302 178.437 176.094 0.069 0.000 1.044 69 V CA 1.621 63.852 62.300 -0.115 0.000 1.036 69 V CB -0.466 31.171 31.823 -0.310 0.000 0.664 69 V HN 0.454 nan 8.190 nan 0.000 0.453 70 E N 0.188 120.469 120.200 0.134 0.000 2.058 70 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 70 E C 2.197 178.984 176.600 0.313 0.000 0.997 70 E CA 1.645 58.189 56.400 0.241 0.000 0.801 70 E CB -0.243 29.546 29.700 0.149 0.000 0.746 70 E HN 0.533 nan 8.360 nan 0.000 0.450 71 I N 1.547 122.235 120.570 0.196 0.000 2.179 71 I HA -0.252 3.917 4.170 -0.000 0.000 0.242 71 I C 1.914 178.121 176.117 0.150 0.000 1.088 71 I CA 0.844 62.255 61.300 0.186 0.000 1.357 71 I CB -0.251 37.799 38.000 0.083 0.000 1.051 71 I HN 0.082 nan 8.210 nan 0.000 0.409 72 N N 0.676 119.417 118.700 0.069 0.000 2.309 72 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 72 N C 1.828 177.332 175.510 -0.011 0.000 1.018 72 N CA 1.051 54.099 53.050 -0.004 0.000 0.876 72 N CB -0.223 38.224 38.487 -0.066 0.000 0.972 72 N HN 0.320 nan 8.380 nan 0.000 0.434 73 L N -0.817 120.463 121.223 0.095 0.000 2.179 73 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 73 L C 2.110 178.996 176.870 0.026 0.000 1.096 73 L CA 0.797 55.715 54.840 0.131 0.000 0.779 73 L CB -0.338 41.932 42.059 0.352 0.000 0.922 73 L HN 0.280 nan 8.230 nan 0.000 0.443 74 H N -0.101 118.976 119.070 0.012 0.000 2.387 74 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 74 H C 2.449 177.683 175.328 -0.156 0.000 1.090 74 H CA 1.289 57.294 56.048 -0.073 0.000 1.332 74 H CB 0.334 30.190 29.762 0.156 0.000 1.386 74 H HN 0.159 nan 8.280 nan 0.000 0.516 75 R N -0.119 120.393 120.500 0.020 0.000 2.062 75 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 75 R C 2.298 178.475 176.300 -0.205 0.000 1.128 75 R CA 1.290 57.338 56.100 -0.087 0.000 0.960 75 R CB -0.067 30.182 30.300 -0.084 0.000 0.855 75 R HN 0.287 nan 8.270 nan 0.000 0.432 76 E N 0.702 120.712 120.200 -0.317 0.000 2.023 76 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 76 E C 1.419 177.615 176.600 -0.674 0.000 1.003 76 E CA 1.742 57.808 56.400 -0.557 0.000 0.809 76 E CB -0.233 28.982 29.700 -0.807 0.000 0.755 76 E HN 0.288 nan 8.360 nan 0.000 0.449 77 F N 0.205 119.864 119.950 -0.486 0.000 2.664 77 F HA 0.168 4.695 4.527 -0.000 0.000 0.296 77 F C 0.672 176.096 175.800 -0.627 0.000 1.125 77 F CA 0.522 58.098 58.000 -0.706 0.000 1.444 77 F CB 0.189 38.350 39.000 -1.398 0.000 1.114 77 F HN -0.055 nan 8.300 nan 0.000 0.576 78 Q N -0.330 119.282 119.800 -0.315 0.000 2.487 78 Q HA -0.209 4.131 4.340 -0.000 0.000 0.279 78 Q C -0.571 175.427 176.000 -0.002 0.000 1.228 78 Q CA 0.282 56.029 55.803 -0.093 0.000 0.873 78 Q CB -2.555 26.145 28.738 -0.062 0.000 1.260 78 Q HN 0.288 nan 8.270 nan 0.000 0.471 79 F N 0.648 120.638 119.950 0.068 0.000 2.586 79 F HA 0.262 4.789 4.527 -0.000 0.000 0.335 79 F C 1.930 177.819 175.800 0.148 0.000 1.210 79 F CA 0.855 58.830 58.000 -0.041 0.000 1.359 79 F CB 0.068 38.806 39.000 -0.435 0.000 1.142 79 F HN 0.094 nan 8.300 nan 0.000 0.606 80 G N -0.039 108.965 108.800 0.341 0.000 2.621 80 G HA2 0.187 4.146 3.960 -0.000 0.000 0.271 80 G HA3 0.187 4.146 3.960 -0.000 0.000 0.271 80 G C -0.976 174.148 174.900 0.374 0.000 1.236 80 G CA -0.722 44.547 45.100 0.282 0.000 0.958 80 G HN 0.527 nan 8.290 nan 0.000 0.512 81 D N -0.030 120.545 120.400 0.291 0.000 2.274 81 D HA 0.389 5.029 4.640 -0.000 0.000 0.239 81 D C 0.901 177.320 176.300 0.200 0.000 1.104 81 D CA 0.060 54.239 54.000 0.299 0.000 0.840 81 D CB 1.503 42.429 40.800 0.209 0.000 1.100 81 D HN 0.440 nan 8.370 nan 0.000 0.477 82 G N 1.028 109.930 108.800 0.169 0.000 2.699 82 G HA2 0.024 3.984 3.960 -0.000 0.000 0.246 82 G HA3 0.024 3.984 3.960 -0.000 0.000 0.246 82 G C 0.483 175.448 174.900 0.108 0.000 1.219 82 G CA -0.365 44.788 45.100 0.087 0.000 0.866 82 G HN 0.487 nan 8.290 nan 0.000 0.572 83 F N -0.649 119.284 119.950 -0.028 0.000 2.164 83 F HA 0.175 4.702 4.527 -0.000 0.000 0.287 83 F C 2.300 178.089 175.800 -0.018 0.000 1.086 83 F CA 1.661 59.655 58.000 -0.010 0.000 1.249 83 F CB 0.406 39.401 39.000 -0.007 0.000 1.059 83 F HN 0.533 nan 8.300 nan 0.000 0.490 84 E N 0.037 120.168 120.200 -0.116 0.000 2.498 84 E HA 0.125 4.475 4.350 -0.000 0.000 0.203 84 E C -0.094 176.426 176.600 -0.134 0.000 1.013 84 E CA 0.309 56.599 56.400 -0.183 0.000 0.927 84 E CB 0.225 29.961 29.700 0.060 0.000 1.012 84 E HN 0.432 nan 8.360 nan 0.000 0.482 85 T N -2.546 111.913 114.554 -0.158 0.000 2.927 85 T HA 0.249 4.599 4.350 -0.000 0.000 0.286 85 T C 0.567 175.174 174.700 -0.154 0.000 1.040 85 T CA -0.732 61.258 62.100 -0.184 0.000 1.010 85 T CB 1.428 70.131 68.868 -0.274 0.000 1.177 85 T HN -0.246 nan 8.240 nan 0.000 0.546 86 D N -0.052 120.191 120.400 -0.262 0.000 2.078 86 D HA 0.034 4.674 4.640 -0.000 0.000 0.193 86 D C 0.355 176.607 176.300 -0.080 0.000 0.990 86 D CA 1.720 55.540 54.000 -0.300 0.000 0.827 86 D CB -0.115 40.162 40.800 -0.872 0.000 0.975 86 D HN 0.647 nan 8.370 nan 0.000 0.451 87 Y N -0.790 119.450 120.300 -0.100 0.000 2.631 87 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 87 Y C 0.604 176.440 175.900 -0.107 0.000 1.118 87 Y CA -1.217 56.799 58.100 -0.139 0.000 1.206 87 Y CB 1.366 39.621 38.460 -0.341 0.000 1.337 87 Y HN -0.310 nan 8.280 nan 0.000 0.515 88 E N 1.924 122.199 120.200 0.124 0.000 2.260 88 E HA 0.377 4.727 4.350 -0.000 0.000 0.266 88 E C -2.002 174.604 176.600 0.010 0.000 0.887 88 E CA -0.397 56.034 56.400 0.052 0.000 0.777 88 E CB 1.444 31.199 29.700 0.093 0.000 1.205 88 E HN 0.713 nan 8.360 nan 0.000 0.414 89 I N 3.229 123.760 120.570 -0.064 0.000 2.476 89 I HA 0.375 4.545 4.170 -0.000 0.000 0.281 89 I C 0.347 176.442 176.117 -0.036 0.000 1.040 89 I CA -0.559 60.686 61.300 -0.091 0.000 1.094 89 I CB 1.590 39.422 38.000 -0.280 0.000 1.219 89 I HN 0.746 nan 8.210 nan 0.000 0.450 90 A N 4.515 127.342 122.820 0.010 0.000 2.846 90 A HA -0.080 4.240 4.320 -0.000 0.000 0.287 90 A C 1.502 179.089 177.584 0.006 0.000 1.469 90 A CA 1.080 53.124 52.037 0.011 0.000 0.757 90 A CB -1.814 17.184 19.000 -0.002 0.000 1.033 90 A HN 1.857 nan 8.150 nan 0.000 0.516 91 G N -3.394 105.414 108.800 0.015 0.000 2.304 91 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.252 91 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.252 91 G C 0.638 175.541 174.900 0.005 0.000 1.014 91 G CA 0.487 45.596 45.100 0.014 0.000 0.619 91 G HN 1.912 nan 8.290 nan 0.000 0.525 92 V N 2.794 122.702 119.914 -0.011 0.000 2.572 92 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 92 V C 0.622 176.696 176.094 -0.033 0.000 1.039 92 V CA -0.129 62.161 62.300 -0.018 0.000 1.055 92 V CB 1.573 33.376 31.823 -0.033 0.000 0.969 92 V HN 0.384 nan 8.190 nan 0.000 0.482 93 Q N 3.823 123.600 119.800 -0.037 0.000 2.307 93 Q HA 0.304 4.644 4.340 -0.000 0.000 0.261 93 Q C -0.591 175.328 176.000 -0.136 0.000 1.051 93 Q CA 0.052 55.788 55.803 -0.112 0.000 0.911 93 Q CB 1.256 29.852 28.738 -0.237 0.000 1.227 93 Q HN 0.555 nan 8.270 nan 0.000 0.418 94 V N 3.273 123.110 119.914 -0.130 0.000 2.444 94 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 94 V C 0.028 175.987 176.094 -0.225 0.000 1.022 94 V CA -0.850 61.366 62.300 -0.139 0.000 0.850 94 V CB 2.053 33.799 31.823 -0.129 0.000 0.992 94 V HN 0.588 nan 8.190 nan 0.000 0.426 95 D N 2.135 122.407 120.400 -0.213 0.000 2.432 95 D HA 0.561 5.201 4.640 -0.000 0.000 0.258 95 D C -0.737 175.383 176.300 -0.300 0.000 1.146 95 D CA -0.194 53.640 54.000 -0.276 0.000 1.015 95 D CB 1.809 42.523 40.800 -0.143 0.000 1.107 95 D HN 0.705 nan 8.370 nan 0.000 0.529 96 C N 1.666 120.781 119.300 -0.308 0.000 2.701 96 C HA 0.629 5.089 4.460 -0.000 0.000 0.336 96 C C -1.760 173.192 174.990 -0.065 0.000 1.123 96 C CA -0.672 58.238 59.018 -0.181 0.000 1.326 96 C CB 0.605 28.228 27.740 -0.194 0.000 1.833 96 C HN 0.452 nan 8.230 nan 0.000 0.473 97 K N 4.321 124.702 120.400 -0.033 0.000 2.468 97 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 97 K C -1.465 175.279 176.600 0.238 0.000 0.932 97 K CA -0.220 56.123 56.287 0.093 0.000 0.794 97 K CB 2.316 34.855 32.500 0.064 0.000 1.241 97 K HN 0.704 nan 8.250 nan 0.000 0.428 98 F N 0.741 120.869 119.950 0.297 0.000 2.522 98 F HA 0.591 5.118 4.527 -0.000 0.000 0.324 98 F C -0.392 175.697 175.800 0.480 0.000 1.077 98 F CA -0.298 57.953 58.000 0.418 0.000 0.944 98 F CB 1.906 41.058 39.000 0.253 0.000 1.175 98 F HN 0.439 nan 8.300 nan 0.000 0.468 99 S N 5.078 120.486 115.700 -0.488 0.000 2.570 99 S HA 0.427 4.897 4.470 -0.000 0.000 0.270 99 S C -0.109 174.105 174.600 -0.644 0.000 1.149 99 S CA -0.773 57.178 58.200 -0.414 0.000 0.837 99 S CB 1.655 64.652 63.200 -0.339 0.000 1.124 99 S HN 0.793 nan 8.310 nan 0.000 0.465 100 M N 1.647 121.052 119.600 -0.326 0.000 2.428 100 M HA 0.215 4.695 4.480 -0.000 0.000 0.239 100 M C 0.098 176.419 176.300 0.035 0.000 1.121 100 M CA 0.249 55.386 55.300 -0.272 0.000 1.019 100 M CB 0.269 32.694 32.600 -0.291 0.000 1.485 100 M HN 0.407 nan 8.290 nan 0.000 0.484 101 S N 1.636 117.322 115.700 -0.024 0.000 2.448 101 S HA 0.271 4.741 4.470 -0.000 0.000 0.320 101 S C -0.188 174.248 174.600 -0.274 0.000 1.071 101 S CA -0.521 57.635 58.200 -0.075 0.000 1.113 101 S CB 1.014 64.115 63.200 -0.164 0.000 0.972 101 S HN 0.210 nan 8.310 nan 0.000 0.465 102 Q N 2.020 121.555 119.800 -0.441 0.000 2.262 102 Q HA 0.310 4.650 4.340 -0.000 0.000 0.298 102 Q C 1.260 176.809 176.000 -0.752 0.000 1.083 102 Q CA 1.607 56.864 55.803 -0.909 0.000 0.962 102 Q CB -0.327 27.700 28.738 -1.185 0.000 1.104 102 Q HN 1.003 nan 8.270 nan 0.000 0.376 103 G N 2.852 110.982 108.800 -1.116 0.000 2.189 103 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 103 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 103 G C 0.526 175.052 174.900 -0.624 0.000 0.975 103 G CA 0.546 45.146 45.100 -0.833 0.000 0.644 103 G HN 1.127 nan 8.290 nan 0.000 0.537 104 A N 0.061 122.431 122.820 -0.749 0.000 2.379 104 A HA 0.469 4.789 4.320 -0.000 0.000 0.236 104 A C 0.943 178.384 177.584 -0.239 0.000 1.272 104 A CA -0.236 51.579 52.037 -0.369 0.000 0.886 104 A CB -0.240 18.593 19.000 -0.279 0.000 0.962 104 A HN 0.547 nan 8.150 nan 0.000 0.504 105 W N 0.436 121.746 121.300 0.017 0.000 2.385 105 W HA 0.083 4.743 4.660 -0.000 0.000 0.336 105 W C -0.046 176.495 176.519 0.036 0.000 1.351 105 W CA -0.103 57.262 57.345 0.033 0.000 1.295 105 W CB -0.138 29.348 29.460 0.043 0.000 1.239 105 W HN 0.155 nan 8.180 nan 0.000 0.565 106 M N 4.923 124.655 119.600 0.220 0.000 2.108 106 M HA 0.299 4.779 4.480 -0.000 0.000 0.354 106 M C -0.399 175.998 176.300 0.161 0.000 1.229 106 M CA -0.736 54.655 55.300 0.152 0.000 1.081 106 M CB 0.193 32.857 32.600 0.106 0.000 1.606 106 M HN 0.167 nan 8.290 nan 0.000 0.467 107 L N 6.988 128.293 121.223 0.136 0.000 2.296 107 L HA 0.508 4.848 4.340 -0.000 0.000 0.286 107 L C -1.909 175.011 176.870 0.083 0.000 1.023 107 L CA -1.665 53.241 54.840 0.111 0.000 0.812 107 L CB 1.487 43.611 42.059 0.108 0.000 1.223 107 L HN 0.419 nan 8.230 nan 0.000 0.421 108 P HA 0.156 nan 4.420 nan 0.000 0.274 108 P C -2.250 175.083 177.300 0.055 0.000 1.237 108 P CA -1.556 61.579 63.100 0.059 0.000 0.793 108 P CB 0.576 32.308 31.700 0.053 0.000 0.977 109 P HA -0.175 nan 4.420 nan 0.000 0.219 109 P C 1.041 178.371 177.300 0.051 0.000 1.146 109 P CA 1.634 64.759 63.100 0.041 0.000 0.808 109 P CB -0.149 31.571 31.700 0.032 0.000 0.779 110 E N -0.217 120.021 120.200 0.063 0.000 2.409 110 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 110 E C 1.601 178.304 176.600 0.173 0.000 1.024 110 E CA 0.869 57.327 56.400 0.097 0.000 0.861 110 E CB -0.759 28.978 29.700 0.062 0.000 0.788 110 E HN 0.138 nan 8.360 nan 0.000 0.521 111 S N 0.322 116.099 115.700 0.129 0.000 2.524 111 S HA 0.196 4.666 4.470 -0.000 0.000 0.216 111 S C 0.734 175.399 174.600 0.107 0.000 0.987 111 S CA -0.313 57.982 58.200 0.158 0.000 0.909 111 S CB -0.088 63.163 63.200 0.085 0.000 0.781 111 S HN 0.192 nan 8.310 nan 0.000 0.521 112 I N 1.675 122.261 120.570 0.027 0.000 2.588 112 I HA 0.288 4.458 4.170 -0.000 0.000 0.283 112 I C 1.535 177.531 176.117 -0.201 0.000 1.119 112 I CA 0.429 61.704 61.300 -0.041 0.000 1.419 112 I CB 0.364 38.349 38.000 -0.025 0.000 1.394 112 I HN 0.374 nan 8.210 nan 0.000 0.562 113 G N 3.799 112.501 108.800 -0.164 0.000 2.199 113 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.254 113 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.254 113 G C 0.225 174.962 174.900 -0.273 0.000 0.982 113 G CA -0.366 44.587 45.100 -0.245 0.000 0.632 113 G HN 0.661 nan 8.290 nan 0.000 0.529 114 H N -0.498 118.580 119.070 0.013 0.000 2.676 114 H HA 0.643 5.199 4.556 -0.000 0.000 0.352 114 H C 0.454 175.771 175.328 -0.019 0.000 1.193 114 H CA -0.817 55.229 56.048 -0.003 0.000 1.243 114 H CB 1.162 30.920 29.762 -0.006 0.000 1.751 114 H HN 0.171 nan 8.280 nan 0.000 0.567 115 I N 1.077 121.716 120.570 0.115 0.000 2.365 115 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 115 I C 0.213 176.315 176.117 -0.024 0.000 1.004 115 I CA -0.152 61.157 61.300 0.015 0.000 1.311 115 I CB 0.767 38.755 38.000 -0.019 0.000 1.401 115 I HN 0.264 nan 8.210 nan 0.000 0.491 116 C N 7.779 127.043 119.300 -0.059 0.000 2.455 116 C HA 0.550 5.010 4.460 -0.000 0.000 0.320 116 C C -0.417 174.483 174.990 -0.149 0.000 1.226 116 C CA -0.782 58.173 59.018 -0.105 0.000 1.569 116 C CB 1.109 28.788 27.740 -0.102 0.000 2.200 116 C HN 0.657 nan 8.230 nan 0.000 0.491 117 L N 7.814 128.951 121.223 -0.143 0.000 2.283 117 L HA 0.596 4.936 4.340 -0.000 0.000 0.287 117 L C -0.090 176.647 176.870 -0.223 0.000 1.073 117 L CA 0.290 55.061 54.840 -0.116 0.000 0.822 117 L CB 0.970 43.026 42.059 -0.005 0.000 1.186 117 L HN 0.628 nan 8.230 nan 0.000 0.436 118 V N 4.502 124.184 119.914 -0.388 0.000 2.347 118 V HA 0.632 4.752 4.120 -0.000 0.000 0.280 118 V C -0.034 175.804 176.094 -0.427 0.000 1.021 118 V CA -0.632 61.124 62.300 -0.908 0.000 0.847 118 V CB 0.897 31.607 31.823 -1.856 0.000 0.990 118 V HN 0.625 nan 8.190 nan 0.000 0.444 119 I N 4.809 125.365 120.570 -0.023 0.000 2.530 119 I HA 0.678 4.848 4.170 -0.000 0.000 0.297 119 I C -0.724 175.827 176.117 0.723 0.000 1.011 119 I CA -0.454 61.149 61.300 0.506 0.000 1.107 119 I CB 2.188 40.541 38.000 0.589 0.000 1.285 119 I HN 0.858 nan 8.210 nan 0.000 0.436 120 W N 5.592 127.155 121.300 0.439 0.000 2.962 120 W HA 0.808 5.468 4.660 -0.000 0.000 0.341 120 W C -1.662 175.002 176.519 0.242 0.000 1.155 120 W CA -0.671 56.733 57.345 0.097 0.000 1.165 120 W CB 1.813 31.359 29.460 0.144 0.000 1.435 120 W HN 0.624 nan 8.180 nan 0.000 0.546 121 A N 2.701 124.885 122.820 -1.061 0.000 2.565 121 A HA 0.543 4.862 4.320 -0.000 0.000 0.298 121 A C -1.741 175.180 177.584 -1.105 0.000 1.062 121 A CA -0.431 51.095 52.037 -0.853 0.000 0.723 121 A CB 1.312 20.364 19.000 0.087 0.000 1.282 121 A HN 0.815 nan 8.150 nan 0.000 0.400 122 S N 1.063 116.180 115.700 -0.972 0.000 2.640 122 S HA 0.415 4.885 4.470 -0.000 0.000 0.320 122 S C 0.036 174.586 174.600 -0.083 0.000 1.097 122 S CA -0.317 57.638 58.200 -0.410 0.000 1.092 122 S CB 1.176 64.273 63.200 -0.172 0.000 0.988 122 S HN 0.638 nan 8.310 nan 0.000 0.470 123 D N 2.957 123.384 120.400 0.046 0.000 2.178 123 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 123 D C 1.723 178.187 176.300 0.272 0.000 0.974 123 D CA 1.071 55.181 54.000 0.183 0.000 0.841 123 D CB 0.220 41.180 40.800 0.266 0.000 0.953 123 D HN 0.704 nan 8.370 nan 0.000 0.478 124 Q N 0.565 120.484 119.800 0.199 0.000 2.170 124 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 124 Q C 1.466 177.661 176.000 0.326 0.000 0.976 124 Q CA 1.541 57.487 55.803 0.237 0.000 0.858 124 Q CB -0.144 28.675 28.738 0.135 0.000 0.907 124 Q HN 0.355 nan 8.270 nan 0.000 0.433 125 Q N -1.804 118.125 119.800 0.215 0.000 2.282 125 Q HA 0.239 4.579 4.340 -0.000 0.000 0.206 125 Q C 0.069 176.144 176.000 0.125 0.000 0.878 125 Q CA 0.312 56.223 55.803 0.179 0.000 0.944 125 Q CB 0.426 29.293 28.738 0.214 0.000 1.100 125 Q HN 0.351 nan 8.270 nan 0.000 0.509 126 C N 1.185 120.558 119.300 0.121 0.000 4.365 126 C HA -0.139 4.321 4.460 -0.000 0.000 0.299 126 C C 0.745 175.827 174.990 0.153 0.000 1.409 126 C CA 0.379 59.452 59.018 0.092 0.000 2.007 126 C CB -2.471 25.248 27.740 -0.033 0.000 1.264 126 C HN 0.621 nan 8.230 nan 0.000 0.777 127 A N 0.355 123.274 122.820 0.165 0.000 2.413 127 A HA 0.963 5.282 4.320 -0.000 0.000 0.307 127 A C -0.489 177.244 177.584 0.249 0.000 1.087 127 A CA -0.077 52.103 52.037 0.238 0.000 0.750 127 A CB 1.645 20.855 19.000 0.350 0.000 1.296 127 A HN 1.511 nan 8.150 nan 0.000 0.423 128 W N 0.665 122.140 121.300 0.293 0.000 3.363 128 W HA 0.637 5.297 4.660 0.000 0.000 0.306 128 W C -1.503 175.380 176.519 0.606 0.000 1.253 128 W CA -0.174 57.359 57.345 0.314 0.000 1.195 128 W CB 0.772 30.344 29.460 0.187 0.000 1.366 128 W HN 1.171 nan 8.180 nan 0.000 0.551 129 T N -0.174 114.900 114.554 0.867 0.000 2.903 129 T HA 0.799 5.149 4.350 -0.000 0.000 0.299 129 T C -1.165 174.003 174.700 0.780 0.000 1.093 129 T CA -0.567 61.908 62.100 0.624 0.000 1.002 129 T CB 1.851 71.002 68.868 0.472 0.000 1.127 129 T HN 1.149 nan 8.240 nan 0.000 0.488 130 A N 0.805 124.009 122.820 0.640 0.000 2.374 130 A HA 0.984 5.304 4.320 -0.000 0.000 0.305 130 A C 0.045 177.810 177.584 0.301 0.000 1.053 130 A CA -0.469 51.911 52.037 0.571 0.000 0.726 130 A CB 1.434 20.936 19.000 0.836 0.000 1.229 130 A HN 1.556 nan 8.150 nan 0.000 0.431 131 G N 0.220 109.105 108.800 0.141 0.000 2.694 131 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 131 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 131 G C -1.607 173.246 174.900 -0.078 0.000 1.386 131 G CA -0.618 44.491 45.100 0.015 0.000 0.872 131 G HN 0.712 nan 8.290 nan 0.000 0.475 132 L N 0.291 121.458 121.223 -0.093 0.000 2.386 132 L HA 0.812 5.152 4.340 -0.000 0.000 0.271 132 L C -0.840 175.961 176.870 -0.115 0.000 0.993 132 L CA -1.169 53.603 54.840 -0.112 0.000 0.819 132 L CB 2.264 44.260 42.059 -0.105 0.000 1.294 132 L HN 0.444 nan 8.230 nan 0.000 0.414 133 V N 3.138 122.982 119.914 -0.116 0.000 2.969 133 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 133 V C -1.010 175.046 176.094 -0.064 0.000 1.192 133 V CA -0.711 61.527 62.300 -0.103 0.000 0.962 133 V CB 2.549 34.303 31.823 -0.115 0.000 1.045 133 V HN 0.730 nan 8.190 nan 0.000 0.428 134 K N 4.819 125.194 120.400 -0.042 0.000 2.284 134 K HA 0.441 4.761 4.320 -0.000 0.000 0.287 134 K C -0.755 175.875 176.600 0.049 0.000 1.081 134 K CA -0.384 55.908 56.287 0.008 0.000 0.910 134 K CB 1.150 33.665 32.500 0.025 0.000 1.088 134 K HN 0.618 nan 8.250 nan 0.000 0.478 135 V N 7.255 127.200 119.914 0.051 0.000 2.403 135 V HA 0.119 4.239 4.120 -0.000 0.000 0.265 135 V C 0.433 176.582 176.094 0.092 0.000 1.034 135 V CA 0.132 62.481 62.300 0.081 0.000 1.036 135 V CB -0.255 31.605 31.823 0.061 0.000 1.032 135 V HN 0.607 nan 8.190 nan 0.000 0.478 136 I N 7.711 128.385 120.570 0.173 0.000 2.509 136 I HA 0.355 4.525 4.170 -0.000 0.000 0.293 136 I C -1.138 175.018 176.117 0.065 0.000 1.020 136 I CA -2.082 59.286 61.300 0.113 0.000 1.088 136 I CB 2.786 40.879 38.000 0.154 0.000 1.267 136 I HN 0.360 nan 8.210 nan 0.000 0.430 137 P HA -0.253 nan 4.420 nan 0.000 0.218 137 P C 1.247 178.505 177.300 -0.071 0.000 1.146 137 P CA 1.333 64.420 63.100 -0.021 0.000 0.813 137 P CB 0.221 31.900 31.700 -0.034 0.000 0.778 138 Q N -0.211 119.472 119.800 -0.195 0.000 2.112 138 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 138 Q C 1.093 176.871 176.000 -0.371 0.000 0.987 138 Q CA 1.462 57.033 55.803 -0.387 0.000 0.858 138 Q CB -0.405 27.905 28.738 -0.713 0.000 0.905 138 Q HN 0.284 nan 8.270 nan 0.000 0.420 139 F N 0.421 120.374 119.950 0.005 0.000 2.660 139 F HA 0.321 4.847 4.527 -0.000 0.000 0.297 139 F C -0.082 175.730 175.800 0.020 0.000 1.132 139 F CA -0.403 57.603 58.000 0.011 0.000 1.372 139 F CB 0.437 39.445 39.000 0.013 0.000 1.003 139 F HN -0.065 nan 8.300 nan 0.000 0.524 140 L N -0.592 120.714 121.223 0.139 0.000 2.333 140 L HA 0.719 5.058 4.340 -0.000 0.000 0.269 140 L C 0.865 177.773 176.870 0.064 0.000 1.010 140 L CA -0.944 53.959 54.840 0.105 0.000 0.818 140 L CB 1.513 43.622 42.059 0.083 0.000 1.306 140 L HN 0.104 nan 8.230 nan 0.000 0.430 141 G N 0.266 109.101 108.800 0.058 0.000 2.574 141 G HA2 0.330 4.290 3.960 -0.000 0.000 0.248 141 G HA3 0.330 4.290 3.960 -0.000 0.000 0.248 141 G C -0.247 174.670 174.900 0.028 0.000 1.422 141 G CA -0.342 44.781 45.100 0.038 0.000 1.051 141 G HN 0.481 nan 8.290 nan 0.000 0.560 142 T N 0.611 115.178 114.554 0.021 0.000 2.855 142 T HA 0.412 4.762 4.350 -0.000 0.000 0.322 142 T C 1.097 175.810 174.700 0.022 0.000 1.088 142 T CA 0.288 62.398 62.100 0.017 0.000 1.104 142 T CB 0.856 69.732 68.868 0.013 0.000 0.996 142 T HN 0.801 nan 8.240 nan 0.000 0.549 143 A N 2.118 124.949 122.820 0.019 0.000 2.262 143 A HA 0.412 4.731 4.320 -0.000 0.000 0.275 143 A C 0.567 178.165 177.584 0.024 0.000 1.402 143 A CA -0.112 51.939 52.037 0.022 0.000 0.817 143 A CB -0.048 18.963 19.000 0.019 0.000 1.271 143 A HN 0.957 nan 8.150 nan 0.000 0.520 144 N N -3.150 115.565 118.700 0.025 0.000 3.020 144 N HA 0.174 4.914 4.740 -0.000 0.000 0.248 144 N C 0.604 176.129 175.510 0.025 0.000 1.480 144 N CA -0.900 52.166 53.050 0.026 0.000 0.874 144 N CB 0.632 39.138 38.487 0.032 0.000 1.433 144 N HN 0.323 nan 8.380 nan 0.000 0.530 145 R N 0.521 121.035 120.500 0.024 0.000 2.113 145 R HA -0.107 4.233 4.340 -0.000 0.000 0.244 145 R C 0.084 176.400 176.300 0.026 0.000 1.142 145 R CA 1.764 57.878 56.100 0.023 0.000 0.953 145 R CB -0.627 29.687 30.300 0.024 0.000 0.860 145 R HN 0.619 nan 8.270 nan 0.000 0.438 146 D N 0.554 120.974 120.400 0.032 0.000 2.358 146 D HA 0.095 4.734 4.640 -0.000 0.000 0.224 146 D C 0.432 176.753 176.300 0.035 0.000 1.123 146 D CA -0.094 53.928 54.000 0.035 0.000 0.833 146 D CB 0.272 41.098 40.800 0.044 0.000 0.946 146 D HN 0.152 nan 8.370 nan 0.000 0.505 147 L N -0.275 120.967 121.223 0.032 0.000 3.865 147 L HA -0.267 4.073 4.340 -0.000 0.000 0.408 147 L C -0.076 176.817 176.870 0.038 0.000 1.209 147 L CA 0.960 55.818 54.840 0.031 0.000 0.940 147 L CB -1.839 40.236 42.059 0.027 0.000 1.971 147 L HN 0.028 nan 8.230 nan 0.000 0.899 148 K N 0.652 121.079 120.400 0.044 0.000 2.138 148 K HA 0.751 5.071 4.320 -0.000 0.000 0.263 148 K C 0.133 176.766 176.600 0.055 0.000 0.965 148 K CA -0.780 55.540 56.287 0.055 0.000 0.868 148 K CB 1.801 34.341 32.500 0.066 0.000 1.083 148 K HN 0.123 nan 8.250 nan 0.000 0.443 149 R N 1.259 121.797 120.500 0.064 0.000 2.832 149 R HA 0.441 4.781 4.340 -0.000 0.000 0.271 149 R C -0.463 175.888 176.300 0.085 0.000 0.996 149 R CA -1.074 55.064 56.100 0.064 0.000 0.977 149 R CB 1.816 32.151 30.300 0.059 0.000 1.168 149 R HN 0.661 nan 8.270 nan 0.000 0.482 150 R N 1.204 121.752 120.500 0.080 0.000 2.740 150 R HA 0.427 4.767 4.340 -0.000 0.000 0.282 150 R C -0.783 175.578 176.300 0.102 0.000 0.969 150 R CA -0.859 55.301 56.100 0.099 0.000 0.918 150 R CB 0.910 31.246 30.300 0.061 0.000 1.175 150 R HN 0.366 nan 8.270 nan 0.000 0.464 151 L N 2.107 123.411 121.223 0.136 0.000 2.516 151 L HA 0.046 4.386 4.340 -0.000 0.000 0.288 151 L C 0.861 177.786 176.870 0.093 0.000 1.246 151 L CA 0.400 55.319 54.840 0.132 0.000 0.844 151 L CB 0.257 42.408 42.059 0.152 0.000 1.106 151 L HN 0.904 nan 8.230 nan 0.000 0.509 152 T N -1.178 113.441 114.554 0.109 0.000 2.897 152 T HA 0.319 4.669 4.350 -0.000 0.000 0.278 152 T C -1.952 172.786 174.700 0.062 0.000 0.981 152 T CA -1.862 60.287 62.100 0.083 0.000 0.973 152 T CB 1.448 70.382 68.868 0.110 0.000 1.092 152 T HN 0.312 nan 8.240 nan 0.000 0.543 153 P HA -0.096 nan 4.420 nan 0.000 0.215 153 P C 1.500 178.816 177.300 0.026 0.000 1.153 153 P CA 1.089 64.199 63.100 0.017 0.000 0.853 153 P CB 0.087 31.793 31.700 0.010 0.000 0.788 154 E N -0.500 119.742 120.200 0.071 0.000 2.058 154 E HA -0.169 4.180 4.350 -0.000 0.000 0.194 154 E C 2.181 178.795 176.600 0.022 0.000 0.997 154 E CA 1.553 58.017 56.400 0.106 0.000 0.801 154 E CB -0.953 28.886 29.700 0.233 0.000 0.746 154 E HN 0.130 nan 8.360 nan 0.000 0.450 155 G N 0.871 109.716 108.800 0.075 0.000 2.459 155 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 155 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 155 G C 1.588 176.401 174.900 -0.144 0.000 1.183 155 G CA 0.978 46.021 45.100 -0.094 0.000 0.776 155 G HN 0.220 nan 8.290 nan 0.000 0.552 156 R N 0.671 121.153 120.500 -0.030 0.000 2.127 156 R HA 0.019 4.359 4.340 -0.000 0.000 0.238 156 R C 2.815 179.081 176.300 -0.056 0.000 1.134 156 R CA 1.012 57.110 56.100 -0.004 0.000 0.975 156 R CB -0.361 29.949 30.300 0.017 0.000 0.865 156 R HN 0.350 nan 8.270 nan 0.000 0.447 157 A N 0.807 123.575 122.820 -0.086 0.000 2.172 157 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 157 A C 1.569 179.068 177.584 -0.142 0.000 1.154 157 A CA 0.922 52.904 52.037 -0.091 0.000 0.701 157 A CB 0.031 18.991 19.000 -0.068 0.000 0.789 157 A HN 0.156 nan 8.150 nan 0.000 0.465 158 Q N -0.477 119.181 119.800 -0.237 0.000 2.392 158 Q HA 0.157 4.497 4.340 -0.000 0.000 0.203 158 Q C 0.173 176.056 176.000 -0.194 0.000 0.917 158 Q CA 0.157 55.783 55.803 -0.294 0.000 0.939 158 Q CB -0.167 28.205 28.738 -0.609 0.000 1.063 158 Q HN 0.388 nan 8.270 nan 0.000 0.516 159 V N 1.719 121.554 119.914 -0.132 0.000 2.572 159 V HA 0.050 4.170 4.120 -0.000 0.000 0.291 159 V C 0.369 176.419 176.094 -0.072 0.000 1.039 159 V CA -0.184 62.062 62.300 -0.089 0.000 1.055 159 V CB 1.350 33.154 31.823 -0.033 0.000 0.969 159 V HN -0.119 nan 8.190 nan 0.000 0.482 160 V N 6.707 126.575 119.914 -0.077 0.000 2.353 160 V HA 0.207 4.327 4.120 -0.000 0.000 0.264 160 V C 0.569 176.635 176.094 -0.047 0.000 1.049 160 V CA -0.808 61.450 62.300 -0.071 0.000 0.896 160 V CB 0.628 32.394 31.823 -0.095 0.000 1.025 160 V HN 0.821 nan 8.190 nan 0.000 0.475 161 K N 5.273 125.663 120.400 -0.018 0.000 2.448 161 K HA 0.302 4.622 4.320 -0.000 0.000 0.278 161 K C -0.589 176.027 176.600 0.026 0.000 1.009 161 K CA 0.003 56.306 56.287 0.027 0.000 0.995 161 K CB 0.627 33.145 32.500 0.031 0.000 0.917 161 K HN 0.504 nan 8.250 nan 0.000 0.481 162 L N 3.588 124.845 121.223 0.057 0.000 2.282 162 L HA 0.244 4.584 4.340 -0.000 0.000 0.288 162 L C -0.131 176.829 176.870 0.151 0.000 1.033 162 L CA -0.682 54.099 54.840 -0.098 0.000 0.807 162 L CB 0.613 42.459 42.059 -0.356 0.000 1.209 162 L HN 0.741 nan 8.230 nan 0.000 0.423 163 W N 1.816 123.228 121.300 0.186 0.000 6.190 163 W HA -0.143 4.517 4.660 -0.000 0.000 0.423 163 W C -2.278 174.314 176.519 0.122 0.000 1.680 163 W CA -1.094 56.299 57.345 0.079 0.000 1.036 163 W CB -1.973 27.493 29.460 0.009 0.000 2.908 163 W HN 0.335 nan 8.180 nan 0.000 1.429 164 P HA 0.002 nan 4.420 nan 0.000 0.267 164 P C 0.669 177.946 177.300 -0.038 0.000 1.200 164 P CA 0.963 64.087 63.100 0.040 0.000 0.772 164 P CB 0.419 32.140 31.700 0.035 0.000 0.855 165 D N -1.211 119.068 120.400 -0.202 0.000 2.911 165 D HA -0.193 4.447 4.640 -0.000 0.000 0.227 165 D C 0.422 176.615 176.300 -0.179 0.000 1.164 165 D CA 1.102 54.983 54.000 -0.198 0.000 0.782 165 D CB -1.824 38.931 40.800 -0.074 0.000 1.094 165 D HN 0.681 nan 8.370 nan 0.000 0.425 166 H N -0.779 118.253 119.070 -0.063 0.000 2.598 166 H HA 0.509 5.065 4.556 -0.000 0.000 0.371 166 H C 1.375 176.660 175.328 -0.070 0.000 1.468 166 H CA 0.137 56.151 56.048 -0.057 0.000 1.454 166 H CB 0.078 29.780 29.762 -0.099 0.000 1.579 166 H HN 0.012 nan 8.280 nan 0.000 0.611 167 G N -0.382 108.587 108.800 0.283 0.000 2.614 167 G HA2 0.197 4.157 3.960 -0.000 0.000 0.239 167 G HA3 0.197 4.157 3.960 -0.000 0.000 0.239 167 G C -0.446 174.638 174.900 0.306 0.000 1.240 167 G CA -0.756 44.480 45.100 0.226 0.000 0.842 167 G HN 0.850 nan 8.290 nan 0.000 0.584 168 K N 0.470 120.989 120.400 0.198 0.000 2.168 168 K HA 0.339 4.659 4.320 -0.000 0.000 0.258 168 K C -0.043 176.749 176.600 0.320 0.000 1.010 168 K CA -0.947 55.468 56.287 0.214 0.000 0.929 168 K CB 1.089 33.659 32.500 0.117 0.000 0.998 168 K HN 0.246 nan 8.250 nan 0.000 0.479 169 L N 1.766 123.230 121.223 0.402 0.000 2.559 169 L HA -0.085 4.255 4.340 -0.000 0.000 0.282 169 L C 0.406 177.378 176.870 0.170 0.000 1.232 169 L CA 0.775 55.821 54.840 0.343 0.000 0.885 169 L CB 0.188 42.423 42.059 0.294 0.000 1.131 169 L HN 0.662 nan 8.230 nan 0.000 0.498 170 Q N 3.747 123.613 119.800 0.109 0.000 2.269 170 Q HA -0.078 4.262 4.340 -0.000 0.000 0.300 170 Q C -0.063 175.988 176.000 0.086 0.000 1.070 170 Q CA 0.406 56.253 55.803 0.074 0.000 0.957 170 Q CB 0.267 29.027 28.738 0.036 0.000 1.131 170 Q HN 0.697 nan 8.270 nan 0.000 0.377 171 E N 3.807 124.052 120.200 0.075 0.000 2.465 171 E HA -0.143 4.207 4.350 -0.000 0.000 0.260 171 E C -0.523 176.163 176.600 0.143 0.000 0.980 171 E CA -0.159 56.294 56.400 0.088 0.000 0.927 171 E CB 0.495 30.221 29.700 0.044 0.000 0.934 171 E HN 0.451 nan 8.360 nan 0.000 0.459 172 N N 5.367 124.208 118.700 0.234 0.000 2.462 172 N HA -0.001 4.739 4.740 -0.000 0.000 0.242 172 N C 0.355 176.007 175.510 0.237 0.000 1.010 172 N CA -0.270 52.918 53.050 0.231 0.000 0.939 172 N CB 1.050 39.704 38.487 0.279 0.000 1.127 172 N HN 0.603 nan 8.380 nan 0.000 0.509 173 L N 5.434 126.735 121.223 0.131 0.000 2.027 173 L HA 0.025 4.364 4.340 -0.000 0.000 0.206 173 L C 1.885 178.745 176.870 -0.017 0.000 1.074 173 L CA 1.554 56.445 54.840 0.085 0.000 0.745 173 L CB -0.512 41.570 42.059 0.038 0.000 0.898 173 L HN 0.645 nan 8.230 nan 0.000 0.433 174 L N -0.982 120.182 121.223 -0.099 0.000 2.089 174 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 174 L C 2.367 178.952 176.870 -0.474 0.000 1.079 174 L CA 1.081 55.725 54.840 -0.325 0.000 0.758 174 L CB -0.753 41.088 42.059 -0.363 0.000 0.891 174 L HN 0.350 nan 8.230 nan 0.000 0.433 175 L N -1.293 119.769 121.223 -0.268 0.000 2.478 175 L HA -0.044 4.296 4.340 -0.000 0.000 0.223 175 L C 1.173 177.688 176.870 -0.593 0.000 1.140 175 L CA 1.404 56.059 54.840 -0.309 0.000 0.842 175 L CB -0.446 41.502 42.059 -0.185 0.000 0.953 175 L HN 0.256 nan 8.230 nan 0.000 0.452 176 H N 0.519 119.567 119.070 -0.037 0.000 2.534 176 H HA 0.424 4.980 4.556 -0.000 0.000 0.250 176 H C -0.410 174.894 175.328 -0.040 0.000 1.256 176 H CA -0.184 55.854 56.048 -0.016 0.000 1.000 176 H CB 0.109 29.880 29.762 0.015 0.000 1.801 176 H HN 0.281 nan 8.280 nan 0.000 0.569 177 I N -2.497 118.048 120.570 -0.042 0.000 2.969 177 I HA 0.571 4.741 4.170 -0.000 0.000 0.307 177 I C -2.812 173.262 176.117 -0.072 0.000 1.149 177 I CA -2.900 58.368 61.300 -0.053 0.000 1.008 177 I CB 1.972 39.914 38.000 -0.098 0.000 1.232 177 I HN -0.234 nan 8.210 nan 0.000 0.435 178 P HA 0.115 nan 4.420 nan 0.000 0.264 178 P C 0.932 178.192 177.300 -0.067 0.000 1.183 178 P CA 0.162 63.233 63.100 -0.047 0.000 0.763 178 P CB 0.914 32.591 31.700 -0.038 0.000 0.807 179 G N 3.250 112.021 108.800 -0.049 0.000 2.491 179 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 179 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 179 G C 1.029 175.903 174.900 -0.043 0.000 1.180 179 G CA 0.974 46.047 45.100 -0.045 0.000 0.774 179 G HN 0.609 nan 8.290 nan 0.000 0.562 180 D N 0.677 121.059 120.400 -0.031 0.000 2.116 180 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 180 D C 2.601 178.876 176.300 -0.042 0.000 0.998 180 D CA 1.394 55.377 54.000 -0.028 0.000 0.836 180 D CB -0.896 39.891 40.800 -0.023 0.000 0.951 180 D HN 0.269 nan 8.370 nan 0.000 0.449 181 V N 1.223 121.102 119.914 -0.058 0.000 2.332 181 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 181 V C 2.819 178.857 176.094 -0.094 0.000 1.055 181 V CA 1.966 64.219 62.300 -0.079 0.000 1.038 181 V CB -0.700 31.069 31.823 -0.089 0.000 0.651 181 V HN 0.177 nan 8.190 nan 0.000 0.450 182 R N -0.243 120.194 120.500 -0.105 0.000 2.092 182 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 182 R C 2.033 178.333 176.300 -0.001 0.000 1.119 182 R CA 1.709 57.741 56.100 -0.114 0.000 0.970 182 R CB -0.281 29.864 30.300 -0.258 0.000 0.864 182 R HN 0.509 nan 8.270 nan 0.000 0.440 183 D N 0.400 120.794 120.400 -0.010 0.000 2.097 183 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 183 D C 1.983 178.303 176.300 0.032 0.000 0.989 183 D CA 1.057 55.079 54.000 0.037 0.000 0.827 183 D CB -0.132 40.677 40.800 0.015 0.000 0.966 183 D HN 0.244 nan 8.370 nan 0.000 0.456 184 Q N 0.193 119.984 119.800 -0.015 0.000 2.170 184 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 184 Q C 2.584 178.545 176.000 -0.066 0.000 0.976 184 Q CA 0.499 56.280 55.803 -0.037 0.000 0.858 184 Q CB -0.192 28.514 28.738 -0.052 0.000 0.907 184 Q HN 0.453 nan 8.270 nan 0.000 0.433 185 I N -0.536 119.974 120.570 -0.101 0.000 2.202 185 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 185 I C 1.714 177.659 176.117 -0.287 0.000 1.091 185 I CA 1.131 62.293 61.300 -0.230 0.000 1.368 185 I CB -0.267 37.524 38.000 -0.349 0.000 1.058 185 I HN 0.028 nan 8.210 nan 0.000 0.410 186 F N 0.554 120.442 119.950 -0.103 0.000 2.615 186 F HA -0.082 4.445 4.527 -0.000 0.000 0.297 186 F C 2.626 178.397 175.800 -0.048 0.000 1.124 186 F CA 0.944 58.910 58.000 -0.058 0.000 1.451 186 F CB -0.239 38.752 39.000 -0.016 0.000 1.103 186 F HN 0.082 nan 8.300 nan 0.000 0.569 187 S N -0.404 115.342 115.700 0.076 0.000 2.548 187 S HA 0.367 4.837 4.470 -0.000 0.000 0.215 187 S C 1.062 175.621 174.600 -0.069 0.000 0.976 187 S CA -0.080 58.124 58.200 0.007 0.000 0.908 187 S CB -0.550 62.654 63.200 0.006 0.000 0.781 187 S HN 0.095 nan 8.310 nan 0.000 0.519 188 A N 1.520 124.293 122.820 -0.078 0.000 2.565 188 A HA 0.475 4.795 4.320 -0.000 0.000 0.237 188 A C 0.201 177.699 177.584 -0.143 0.000 1.053 188 A CA 0.191 52.172 52.037 -0.094 0.000 0.755 188 A CB 0.002 18.947 19.000 -0.092 0.000 0.980 188 A HN 0.443 nan 8.150 nan 0.000 0.506 189 K N 0.867 121.182 120.400 -0.142 0.000 2.350 189 K HA 0.585 4.905 4.320 -0.000 0.000 0.241 189 K C 0.426 177.058 176.600 0.053 0.000 0.994 189 K CA -0.322 55.837 56.287 -0.213 0.000 0.839 189 K CB 1.813 34.143 32.500 -0.282 0.000 1.244 189 K HN 0.731 nan 8.250 nan 0.000 0.443 196 H N 0.970 120.047 119.070 0.010 0.000 2.551 196 H HA 0.133 4.689 4.556 -0.000 0.000 0.266 196 H C 1.681 177.003 175.328 -0.010 0.000 0.964 196 H CA 1.088 57.136 56.048 0.001 0.000 1.180 196 H CB 0.400 30.166 29.762 0.007 0.000 1.408 196 H HN 0.700 nan 8.280 nan 0.000 0.563 197 G N 1.254 110.104 108.800 0.082 0.000 2.553 197 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.218 197 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.218 197 G C 1.749 176.668 174.900 0.031 0.000 1.195 197 G CA 1.317 46.446 45.100 0.049 0.000 0.779 197 G HN 0.344 nan 8.290 nan 0.000 0.577 198 Q N 0.642 120.467 119.800 0.041 0.000 2.079 198 Q HA 0.150 4.490 4.340 -0.000 0.000 0.200 198 Q C 2.703 178.719 176.000 0.027 0.000 0.974 198 Q CA 1.913 57.741 55.803 0.042 0.000 0.840 198 Q CB -0.694 28.071 28.738 0.044 0.000 0.898 198 Q HN 0.400 nan 8.270 nan 0.000 0.430 199 A N 0.600 123.442 122.820 0.037 0.000 1.917 199 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 199 A C 2.112 179.674 177.584 -0.037 0.000 1.182 199 A CA 1.818 53.867 52.037 0.021 0.000 0.633 199 A CB -0.531 18.505 19.000 0.060 0.000 0.819 199 A HN 0.425 nan 8.150 nan 0.000 0.448 200 R N -0.948 119.511 120.500 -0.069 0.000 2.073 200 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 200 R C 2.045 178.206 176.300 -0.233 0.000 1.120 200 R CA 1.312 57.301 56.100 -0.185 0.000 0.967 200 R CB -0.569 29.582 30.300 -0.249 0.000 0.862 200 R HN 0.389 nan 8.270 nan 0.000 0.436 201 V N 2.228 122.042 119.914 -0.166 0.000 2.407 201 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 201 V C 1.750 177.764 176.094 -0.133 0.000 1.055 201 V CA 1.701 63.886 62.300 -0.191 0.000 1.049 201 V CB -0.541 31.277 31.823 -0.009 0.000 0.662 201 V HN 0.351 nan 8.190 nan 0.000 0.455 202 N N -0.054 118.639 118.700 -0.013 0.000 2.142 202 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 202 N C 1.835 177.335 175.510 -0.017 0.000 1.023 202 N CA 1.080 54.164 53.050 0.057 0.000 0.852 202 N CB -0.312 38.204 38.487 0.049 0.000 0.998 202 N HN 0.418 nan 8.380 nan 0.000 0.424 203 E N 0.945 121.089 120.200 -0.093 0.000 2.204 203 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 203 E C 1.967 178.455 176.600 -0.187 0.000 0.990 203 E CA 0.225 56.551 56.400 -0.123 0.000 0.821 203 E CB -0.317 29.297 29.700 -0.144 0.000 0.750 203 E HN 0.257 nan 8.360 nan 0.000 0.477 204 L N -0.260 120.782 121.223 -0.302 0.000 2.005 204 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 204 L C 2.005 178.671 176.870 -0.339 0.000 1.072 204 L CA 1.684 56.263 54.840 -0.435 0.000 0.744 204 L CB -0.748 40.880 42.059 -0.718 0.000 0.895 204 L HN 0.006 nan 8.230 nan 0.000 0.433 205 F N -0.806 119.126 119.950 -0.030 0.000 2.699 205 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 205 F C 2.422 178.283 175.800 0.101 0.000 1.154 205 F CA 0.214 58.242 58.000 0.046 0.000 1.457 205 F CB -0.199 38.830 39.000 0.048 0.000 1.106 205 F HN 0.036 nan 8.300 nan 0.000 0.585 206 R N 0.088 120.654 120.500 0.111 0.000 2.112 206 R HA 0.064 4.404 4.340 -0.000 0.000 0.216 206 R C 1.910 178.081 176.300 -0.214 0.000 1.080 206 R CA 0.794 56.915 56.100 0.035 0.000 0.996 206 R CB 0.046 30.347 30.300 0.002 0.000 0.902 206 R HN 0.223 nan 8.270 nan 0.000 0.449 207 R N -0.594 119.759 120.500 -0.245 0.000 2.254 207 R HA 0.174 4.513 4.340 -0.000 0.000 0.193 207 R C -0.006 176.087 176.300 -0.345 0.000 0.929 207 R CA 0.159 56.079 56.100 -0.300 0.000 1.038 207 R CB 0.927 31.116 30.300 -0.186 0.000 1.009 207 R HN -0.100 nan 8.270 nan 0.000 0.512 208 V N 3.192 122.948 119.914 -0.263 0.000 2.277 208 V HA 0.207 4.327 4.120 -0.000 0.000 0.269 208 V C -0.674 175.452 176.094 0.055 0.000 1.036 208 V CA -0.636 61.591 62.300 -0.121 0.000 0.821 208 V CB 0.461 32.239 31.823 -0.075 0.000 1.052 208 V HN 0.181 nan 8.190 nan 0.000 0.462 209 H N 2.180 121.272 119.070 0.036 0.000 2.567 209 H HA 0.584 5.140 4.556 -0.000 0.000 0.345 209 H C 1.182 176.533 175.328 0.038 0.000 1.169 209 H CA -0.436 55.640 56.048 0.046 0.000 1.227 209 H CB 1.759 31.543 29.762 0.037 0.000 1.607 209 H HN 0.722 nan 8.280 nan 0.000 0.534 210 G N 1.802 110.701 108.800 0.165 0.000 2.283 210 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.280 210 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.280 210 G C -0.069 174.879 174.900 0.080 0.000 1.029 210 G CA 0.341 45.496 45.100 0.092 0.000 0.840 210 G HN 0.587 nan 8.290 nan 0.000 0.505 211 R N -1.198 119.357 120.500 0.092 0.000 2.584 211 R HA 0.467 4.807 4.340 -0.000 0.000 0.276 211 R C 0.175 176.524 176.300 0.083 0.000 1.046 211 R CA -1.147 54.998 56.100 0.075 0.000 0.906 211 R CB 1.385 31.726 30.300 0.067 0.000 1.215 211 R HN 0.144 nan 8.270 nan 0.000 0.449 212 L N 4.027 125.292 121.223 0.070 0.000 2.513 212 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 212 L C 0.001 176.922 176.870 0.085 0.000 1.187 212 L CA 0.480 55.365 54.840 0.076 0.000 0.895 212 L CB 0.063 42.160 42.059 0.063 0.000 1.147 212 L HN 0.450 nan 8.230 nan 0.000 0.483 213 I N 2.793 123.430 120.570 0.111 0.000 2.382 213 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 213 I C 0.704 176.891 176.117 0.117 0.000 1.002 213 I CA -0.217 61.153 61.300 0.116 0.000 1.135 213 I CB 1.729 39.841 38.000 0.188 0.000 1.288 213 I HN 0.638 nan 8.210 nan 0.000 0.448 214 G N 4.136 112.987 108.800 0.085 0.000 2.511 214 G HA2 0.284 4.244 3.960 -0.000 0.000 0.316 214 G HA3 0.284 4.244 3.960 -0.000 0.000 0.316 214 G C 0.695 175.643 174.900 0.080 0.000 1.210 214 G CA -0.519 44.631 45.100 0.084 0.000 0.969 214 G HN 0.718 nan 8.290 nan 0.000 0.492 215 R N -0.281 120.277 120.500 0.097 0.000 2.113 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 215 R C 2.602 178.888 176.300 -0.024 0.000 1.142 215 R CA 2.217 58.392 56.100 0.125 0.000 0.953 215 R CB -0.532 29.872 30.300 0.174 0.000 0.860 215 R HN 0.511 nan 8.270 nan 0.000 0.438 216 A N 0.235 123.051 122.820 -0.008 0.000 1.902 216 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 216 A C 2.323 179.866 177.584 -0.069 0.000 1.181 216 A CA 1.657 53.671 52.037 -0.038 0.000 0.623 216 A CB -0.588 18.434 19.000 0.037 0.000 0.818 216 A HN 0.246 nan 8.150 nan 0.000 0.443 217 V N 0.388 120.283 119.914 -0.033 0.000 2.255 217 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 217 V C 2.453 178.467 176.094 -0.133 0.000 1.051 217 V CA 2.158 64.428 62.300 -0.050 0.000 1.018 217 V CB -0.685 31.116 31.823 -0.036 0.000 0.641 217 V HN 0.579 nan 8.190 nan 0.000 0.445 218 I N 0.273 120.757 120.570 -0.143 0.000 2.179 218 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 218 I C 2.699 178.585 176.117 -0.384 0.000 1.088 218 I CA 1.566 62.760 61.300 -0.177 0.000 1.357 218 I CB -0.683 37.338 38.000 0.035 0.000 1.051 218 I HN 0.314 nan 8.210 nan 0.000 0.409 219 A N 0.424 122.799 122.820 -0.743 0.000 1.908 219 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 219 A C 2.355 179.710 177.584 -0.382 0.000 1.181 219 A CA 2.508 53.908 52.037 -1.060 0.000 0.627 219 A CB -1.137 17.166 19.000 -1.162 0.000 0.818 219 A HN 0.389 nan 8.150 nan 0.000 0.445 220 T N -0.675 113.765 114.554 -0.190 0.000 2.881 220 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 220 T C 1.758 176.514 174.700 0.092 0.000 1.068 220 T CA 1.448 63.561 62.100 0.023 0.000 1.131 220 T CB -0.181 68.765 68.868 0.131 0.000 0.871 220 T HN 0.175 nan 8.240 nan 0.000 0.479 221 V N 0.994 120.844 119.914 -0.106 0.000 2.426 221 V HA 0.058 4.178 4.120 -0.000 0.000 0.242 221 V C 2.767 178.752 176.094 -0.182 0.000 1.036 221 V CA 1.329 63.445 62.300 -0.306 0.000 1.044 221 V CB -0.905 30.637 31.823 -0.467 0.000 0.688 221 V HN 0.464 nan 8.190 nan 0.000 0.462 222 A N -1.271 121.473 122.820 -0.125 0.000 1.855 222 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 222 A C 1.303 178.900 177.584 0.022 0.000 1.191 222 A CA 1.293 53.313 52.037 -0.027 0.000 0.613 222 A CB -0.356 18.676 19.000 0.053 0.000 0.829 222 A HN 0.646 nan 8.150 nan 0.000 0.442 223 Q N -0.953 118.853 119.800 0.011 0.000 2.461 223 Q HA -0.175 4.165 4.340 -0.000 0.000 0.298 223 Q C -0.484 175.568 176.000 0.086 0.000 1.399 223 Q CA 0.865 56.700 55.803 0.053 0.000 0.778 223 Q CB -1.777 27.010 28.738 0.081 0.000 1.130 223 Q HN 0.994 nan 8.270 nan 0.000 0.407 224 Q N -1.381 118.503 119.800 0.139 0.000 2.574 224 Q HA 0.365 4.704 4.340 -0.000 0.000 0.265 224 Q C -1.550 174.621 176.000 0.286 0.000 0.975 224 Q CA -1.065 54.837 55.803 0.165 0.000 0.923 224 Q CB 1.366 30.177 28.738 0.121 0.000 1.518 224 Q HN 0.001 nan 8.270 nan 0.000 0.401 225 D N 1.688 122.200 120.400 0.188 0.000 2.362 225 D HA 0.011 4.651 4.640 -0.000 0.000 0.238 225 D C -0.025 176.284 176.300 0.015 0.000 1.212 225 D CA 0.906 54.984 54.000 0.130 0.000 0.902 225 D CB 0.408 41.238 40.800 0.050 0.000 1.180 225 D HN 0.688 nan 8.370 nan 0.000 0.445 226 D N 0.055 120.340 120.400 -0.191 0.000 2.911 226 D HA -0.241 4.399 4.640 -0.000 0.000 0.227 226 D C 1.123 177.322 176.300 -0.169 0.000 1.164 226 D CA 0.354 54.221 54.000 -0.222 0.000 0.782 226 D CB -1.409 39.335 40.800 -0.094 0.000 1.094 226 D HN 0.444 nan 8.370 nan 0.000 0.425 227 F N -2.026 117.936 119.950 0.020 0.000 2.583 227 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 227 F C 1.982 177.806 175.800 0.039 0.000 1.131 227 F CA 0.236 58.253 58.000 0.028 0.000 1.467 227 F CB -0.382 38.637 39.000 0.030 0.000 1.097 227 F HN -0.030 nan 8.300 nan 0.000 0.586 228 M N 0.960 120.469 119.600 -0.152 0.000 2.558 228 M HA -0.003 4.477 4.480 -0.000 0.000 0.255 228 M C 1.978 178.279 176.300 0.002 0.000 1.113 228 M CA 0.772 56.054 55.300 -0.031 0.000 1.097 228 M CB -0.755 31.750 32.600 -0.159 0.000 1.426 228 M HN 0.353 nan 8.290 nan 0.000 0.488 229 K N 0.239 120.633 120.400 -0.011 0.000 2.525 229 K HA -0.065 4.255 4.320 -0.000 0.000 0.192 229 K C 1.167 177.791 176.600 0.039 0.000 1.029 229 K CA 0.537 56.825 56.287 0.001 0.000 1.029 229 K CB 0.329 32.823 32.500 -0.010 0.000 0.814 229 K HN 0.059 nan 8.250 nan 0.000 0.503 230 R N -0.184 120.368 120.500 0.087 0.000 2.362 230 R HA 0.100 4.439 4.340 -0.000 0.000 0.227 230 R C 1.284 177.671 176.300 0.145 0.000 0.905 230 R CA 0.274 56.443 56.100 0.115 0.000 1.067 230 R CB 0.496 30.883 30.300 0.145 0.000 1.078 230 R HN 0.054 nan 8.270 nan 0.000 0.516 231 V N -0.274 119.707 119.914 0.112 0.000 3.570 231 V HA 0.264 4.383 4.120 -0.000 0.000 0.257 231 V C 0.716 176.786 176.094 -0.040 0.000 1.272 231 V CA 0.078 62.406 62.300 0.047 0.000 1.079 231 V CB 0.147 32.005 31.823 0.057 0.000 0.829 231 V HN 0.090 nan 8.190 nan 0.000 0.454 232 R N 0.123 120.613 120.500 -0.015 0.000 2.605 232 R HA 0.551 4.891 4.340 -0.000 0.000 0.291 232 R C -0.446 175.842 176.300 -0.021 0.000 1.226 232 R CA 0.567 56.647 56.100 -0.034 0.000 0.981 232 R CB 1.333 31.608 30.300 -0.042 0.000 1.215 232 R HN 0.324 nan 8.270 nan 0.000 0.428 233 G N 0.805 109.594 108.800 -0.019 0.000 2.498 233 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.181 233 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.181 233 G C -0.301 174.592 174.900 -0.011 0.000 1.169 233 G CA 0.121 45.213 45.100 -0.014 0.000 0.992 233 G HN 0.383 nan 8.290 nan 0.000 0.490 234 S N -0.751 114.945 115.700 -0.006 0.000 2.326 234 S HA 0.171 4.641 4.470 -0.000 0.000 0.211 234 S C 2.115 176.715 174.600 0.000 0.000 1.031 234 S CA 2.249 60.446 58.200 -0.005 0.000 0.985 234 S CB -0.876 62.322 63.200 -0.003 0.000 0.961 234 S HN 1.606 nan 8.310 nan 0.000 0.436 235 G N 0.961 109.765 108.800 0.006 0.000 3.327 235 G HA2 0.444 4.404 3.960 -0.000 0.000 0.240 235 G HA3 0.444 4.404 3.960 -0.000 0.000 0.240 235 G C 0.470 175.383 174.900 0.022 0.000 1.222 235 G CA 0.124 45.233 45.100 0.014 0.000 0.871 235 G HN 0.656 nan 8.290 nan 0.000 0.525 236 G N -0.832 107.977 108.800 0.016 0.000 2.554 236 G HA2 0.404 4.363 3.960 -0.000 0.000 0.238 236 G HA3 0.404 4.363 3.960 -0.000 0.000 0.238 236 G C 1.203 176.119 174.900 0.026 0.000 1.259 236 G CA 0.233 45.347 45.100 0.023 0.000 0.843 236 G HN 0.337 nan 8.290 nan 0.000 0.582 237 A N 1.724 124.577 122.820 0.056 0.000 2.019 237 A HA -0.059 4.260 4.320 -0.000 0.000 0.219 237 A C 2.304 179.880 177.584 -0.013 0.000 1.164 237 A CA 1.614 53.694 52.037 0.072 0.000 0.644 237 A CB -0.286 18.854 19.000 0.232 0.000 0.805 237 A HN 0.697 nan 8.150 nan 0.000 0.449 238 R N 0.268 120.722 120.500 -0.076 0.000 2.092 238 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 238 R C 2.413 178.669 176.300 -0.073 0.000 1.119 238 R CA 1.899 57.931 56.100 -0.115 0.000 0.970 238 R CB -0.157 30.062 30.300 -0.135 0.000 0.864 238 R HN 0.690 nan 8.270 nan 0.000 0.440 239 S N 0.019 115.691 115.700 -0.046 0.000 2.356 239 S HA -0.023 4.447 4.470 -0.000 0.000 0.219 239 S C 2.064 176.652 174.600 -0.020 0.000 1.036 239 S CA 0.601 58.781 58.200 -0.035 0.000 0.965 239 S CB -0.430 62.755 63.200 -0.025 0.000 0.864 239 S HN 0.286 nan 8.310 nan 0.000 0.471 240 I N 1.553 122.121 120.570 -0.004 0.000 2.335 240 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 240 I C 2.029 178.152 176.117 0.011 0.000 1.129 240 I CA 1.339 62.644 61.300 0.009 0.000 1.402 240 I CB -0.375 37.639 38.000 0.023 0.000 1.069 240 I HN 0.283 nan 8.210 nan 0.000 0.424 241 L N -0.326 120.903 121.223 0.009 0.000 2.529 241 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 241 L C 2.529 179.392 176.870 -0.011 0.000 1.113 241 L CA 0.091 54.940 54.840 0.015 0.000 0.861 241 L CB -0.431 41.652 42.059 0.040 0.000 1.012 241 L HN 0.155 nan 8.230 nan 0.000 0.461 242 R N 1.485 121.964 120.500 -0.034 0.000 2.119 242 R HA -0.176 4.164 4.340 -0.000 0.000 0.246 242 R C -0.542 175.737 176.300 -0.036 0.000 1.146 242 R CA 1.944 58.011 56.100 -0.055 0.000 0.962 242 R CB -1.132 29.130 30.300 -0.063 0.000 0.863 242 R HN 0.252 nan 8.270 nan 0.000 0.442 243 P HA -0.121 nan 4.420 nan 0.000 0.220 243 P C 0.262 177.568 177.300 0.010 0.000 1.148 243 P CA 1.332 64.432 63.100 -0.000 0.000 0.803 243 P CB -0.149 31.554 31.700 0.005 0.000 0.782 244 E N -0.843 119.365 120.200 0.013 0.000 2.516 244 E HA 0.091 4.441 4.350 -0.000 0.000 0.199 244 E C 1.143 177.757 176.600 0.024 0.000 1.069 244 E CA 0.440 56.856 56.400 0.027 0.000 0.876 244 E CB -0.517 29.208 29.700 0.041 0.000 0.843 244 E HN 0.265 nan 8.360 nan 0.000 0.530 245 G N 1.394 110.194 108.800 -0.000 0.000 2.141 245 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.242 245 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.242 245 G C 0.170 175.033 174.900 -0.061 0.000 0.982 245 G CA -0.113 44.977 45.100 -0.017 0.000 0.662 245 G HN 0.207 nan 8.290 nan 0.000 0.527 246 I N 1.879 122.413 120.570 -0.060 0.000 2.331 246 I HA 0.546 4.715 4.170 -0.000 0.000 0.292 246 I C 0.859 176.894 176.117 -0.136 0.000 0.998 246 I CA -1.084 60.155 61.300 -0.101 0.000 1.267 246 I CB 1.202 39.192 38.000 -0.016 0.000 1.386 246 I HN 0.296 nan 8.210 nan 0.000 0.476 247 I N 4.841 125.300 120.570 -0.184 0.000 2.530 247 I HA 0.573 4.743 4.170 -0.000 0.000 0.297 247 I C -0.842 175.159 176.117 -0.193 0.000 1.011 247 I CA -0.703 60.480 61.300 -0.194 0.000 1.107 247 I CB 1.965 39.830 38.000 -0.226 0.000 1.285 247 I HN 0.410 nan 8.210 nan 0.000 0.436 248 I N 6.789 127.233 120.570 -0.210 0.000 2.388 248 I HA 0.278 4.447 4.170 -0.000 0.000 0.281 248 I C -0.339 175.670 176.117 -0.181 0.000 1.046 248 I CA -0.469 60.684 61.300 -0.245 0.000 1.187 248 I CB 1.075 38.820 38.000 -0.424 0.000 1.351 248 I HN 0.474 nan 8.210 nan 0.000 0.472 249 L N 6.189 127.333 121.223 -0.132 0.000 2.515 249 L HA 0.209 4.549 4.340 -0.000 0.000 0.281 249 L C 1.421 178.251 176.870 -0.068 0.000 1.131 249 L CA -0.110 54.673 54.840 -0.095 0.000 0.905 249 L CB -0.200 41.814 42.059 -0.076 0.000 1.246 249 L HN 0.685 nan 8.230 nan 0.000 0.463 250 G N 0.508 109.271 108.800 -0.062 0.000 2.393 250 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.268 250 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.268 250 G C 0.834 175.756 174.900 0.037 0.000 1.472 250 G CA -0.094 44.998 45.100 -0.012 0.000 1.059 250 G HN 0.813 nan 8.290 nan 0.000 0.555 251 H N -0.553 118.504 119.070 -0.021 0.000 2.561 251 H HA -0.067 4.488 4.556 -0.000 0.000 0.289 251 H C 0.903 176.222 175.328 -0.014 0.000 1.054 251 H CA 1.372 57.414 56.048 -0.010 0.000 1.210 251 H CB -0.622 29.135 29.762 -0.008 0.000 1.353 251 H HN 0.557 nan 8.280 nan 0.000 0.601 252 Q N 0.030 119.731 119.800 -0.165 0.000 2.979 252 Q HA -0.170 4.170 4.340 -0.000 0.000 0.108 252 Q C -1.552 174.307 176.000 -0.234 0.000 1.574 252 Q CA 1.072 56.755 55.803 -0.201 0.000 0.387 252 Q CB -0.766 27.841 28.738 -0.218 0.000 0.612 252 Q HN 0.748 nan 8.270 nan 0.000 0.321 260 N N 1.215 119.888 118.700 -0.046 0.000 2.429 260 N HA 0.308 5.048 4.740 -0.000 0.000 0.220 260 N C -0.824 174.675 175.510 -0.019 0.000 1.024 260 N CA 0.762 53.795 53.050 -0.028 0.000 1.105 260 N CB 0.051 38.521 38.487 -0.029 0.000 1.376 260 N HN 0.287 nan 8.380 nan 0.000 0.565 261 D N -0.351 120.037 120.400 -0.020 0.000 9.936 261 D HA -0.117 4.523 4.640 -0.000 0.000 0.297 261 D C -0.882 175.422 176.300 0.006 0.000 2.809 261 D CA 0.361 54.355 54.000 -0.010 0.000 2.577 261 D CB -0.547 40.246 40.800 -0.012 0.000 1.078 261 D HN 0.439 nan 8.370 nan 0.000 0.807 262 L N -0.751 120.480 121.223 0.013 0.000 2.678 262 L HA 0.645 4.985 4.340 -0.000 0.000 0.250 262 L C 1.032 177.915 176.870 0.022 0.000 1.455 262 L CA 0.026 54.881 54.840 0.025 0.000 0.823 262 L CB 0.758 42.843 42.059 0.044 0.000 1.107 262 L HN 0.808 nan 8.230 nan 0.000 0.514 263 G N 0.838 109.648 108.800 0.017 0.000 2.144 263 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 263 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 263 G C -0.268 174.643 174.900 0.018 0.000 0.988 263 G CA -0.060 45.051 45.100 0.018 0.000 0.659 263 G HN 0.408 nan 8.290 nan 0.000 0.522 264 L N 0.937 122.168 121.223 0.013 0.000 2.296 264 L HA 0.440 4.780 4.340 -0.000 0.000 0.286 264 L C -1.868 175.010 176.870 0.013 0.000 1.023 264 L CA -2.247 52.600 54.840 0.012 0.000 0.812 264 L CB 1.561 43.620 42.059 0.001 0.000 1.223 264 L HN -0.156 nan 8.230 nan 0.000 0.421 265 P HA -0.089 nan 4.420 nan 0.000 0.261 265 P C -0.673 176.637 177.300 0.017 0.000 1.165 265 P CA 0.022 63.136 63.100 0.022 0.000 0.759 265 P CB 0.254 31.974 31.700 0.032 0.000 0.772 266 V N 6.849 126.770 119.914 0.012 0.000 2.455 266 V HA 0.176 4.296 4.120 -0.000 0.000 0.273 266 V C -1.513 174.589 176.094 0.012 0.000 1.045 266 V CA -1.386 60.916 62.300 0.003 0.000 0.976 266 V CB 0.388 32.210 31.823 -0.003 0.000 0.993 266 V HN 0.576 nan 8.190 nan 0.000 0.475 267 P HA 0.302 nan 4.420 nan 0.000 0.276 267 P C -0.117 177.216 177.300 0.055 0.000 1.235 267 P CA -0.305 62.819 63.100 0.039 0.000 0.772 267 P CB 1.303 33.027 31.700 0.041 0.000 0.871 268 R N 1.698 122.255 120.500 0.095 0.000 2.716 268 R HA 0.273 4.612 4.340 -0.000 0.000 0.202 268 R C 0.780 177.268 176.300 0.313 0.000 1.114 268 R CA -0.539 55.643 56.100 0.137 0.000 1.084 268 R CB 0.101 30.456 30.300 0.091 0.000 1.282 268 R HN 0.415 nan 8.270 nan 0.000 0.506 269 K N 0.177 120.712 120.400 0.226 0.000 2.227 269 K HA 0.170 4.489 4.320 -0.000 0.000 0.280 269 K C -0.045 176.541 176.600 -0.023 0.000 1.041 269 K CA 0.581 56.864 56.287 -0.007 0.000 0.905 269 K CB 0.983 33.390 32.500 -0.156 0.000 1.068 269 K HN 0.703 nan 8.250 nan 0.000 0.470 270 G N 2.822 111.590 108.800 -0.053 0.000 2.136 270 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 270 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 270 G C -0.371 174.575 174.900 0.076 0.000 0.989 270 G CA 0.034 45.143 45.100 0.015 0.000 0.682 270 G HN 0.610 nan 8.290 nan 0.000 0.522 271 Q N -0.797 119.066 119.800 0.105 0.000 2.337 271 Q HA 0.709 5.049 4.340 -0.000 0.000 0.270 271 Q C -0.824 175.242 176.000 0.109 0.000 1.043 271 Q CA -0.715 55.153 55.803 0.107 0.000 0.794 271 Q CB 3.116 31.912 28.738 0.097 0.000 1.281 271 Q HN 0.249 nan 8.270 nan 0.000 0.446 272 V N 2.204 122.183 119.914 0.108 0.000 3.126 272 V HA 0.717 4.837 4.120 -0.000 0.000 0.314 272 V C -1.507 174.637 176.094 0.085 0.000 1.138 272 V CA -0.675 61.671 62.300 0.078 0.000 1.034 272 V CB 2.527 34.388 31.823 0.064 0.000 1.075 272 V HN 0.512 nan 8.190 nan 0.000 0.442 273 V N 2.960 122.898 119.914 0.040 0.000 2.711 273 V HA 0.898 5.017 4.120 -0.000 0.000 0.304 273 V C -0.300 175.804 176.094 0.016 0.000 1.097 273 V CA 0.230 62.564 62.300 0.056 0.000 0.906 273 V CB 1.641 33.484 31.823 0.033 0.000 1.015 273 V HN 1.337 nan 8.190 nan 0.000 0.427 274 A N 5.073 127.946 122.820 0.089 0.000 2.320 274 A HA 1.079 5.398 4.320 -0.000 0.000 0.334 274 A C -0.054 177.451 177.584 -0.133 0.000 1.147 274 A CA 0.103 52.159 52.037 0.032 0.000 0.820 274 A CB 1.734 20.904 19.000 0.284 0.000 1.218 274 A HN 2.348 nan 8.150 nan 0.000 0.482 275 A N 0.894 123.468 122.820 -0.409 0.000 2.597 275 A HA 0.708 5.028 4.320 -0.000 0.000 0.292 275 A C -0.775 176.504 177.584 -0.509 0.000 1.057 275 A CA -0.623 51.060 52.037 -0.591 0.000 0.674 275 A CB 0.939 19.803 19.000 -0.227 0.000 1.278 275 A HN 0.963 nan 8.150 nan 0.000 0.416 276 R N 0.647 120.917 120.500 -0.385 0.000 2.338 276 R HA 0.662 5.002 4.340 -0.000 0.000 0.317 276 R C -1.086 175.183 176.300 -0.052 0.000 0.968 276 R CA -0.331 55.678 56.100 -0.151 0.000 0.849 276 R CB 1.269 31.553 30.300 -0.027 0.000 1.128 276 R HN 1.091 nan 8.270 nan 0.000 0.448 277 V N 2.357 122.264 119.914 -0.012 0.000 2.680 277 V HA 0.743 4.863 4.120 -0.000 0.000 0.309 277 V C -0.262 175.990 176.094 0.263 0.000 1.052 277 V CA -0.901 61.463 62.300 0.106 0.000 0.908 277 V CB 1.549 33.419 31.823 0.078 0.000 1.001 277 V HN 0.536 nan 8.190 nan 0.000 0.431 278 V N 0.785 120.879 119.914 0.300 0.000 2.823 278 V HA 0.804 4.924 4.120 -0.000 0.000 0.312 278 V C -2.809 173.366 176.094 0.136 0.000 1.072 278 V CA -2.756 59.704 62.300 0.267 0.000 0.937 278 V CB 1.621 33.513 31.823 0.113 0.000 1.013 278 V HN 0.755 nan 8.190 nan 0.000 0.430 279 P HA 0.424 nan 4.420 nan 0.000 0.268 279 P C -0.602 176.533 177.300 -0.276 0.000 1.208 279 P CA 0.438 63.192 63.100 -0.576 0.000 0.777 279 P CB 0.591 31.942 31.700 -0.583 0.000 0.875 280 A N 1.506 124.153 122.820 -0.287 0.000 2.401 280 A HA 0.438 4.758 4.320 -0.000 0.000 0.310 280 A C -0.844 176.655 177.584 -0.142 0.000 1.075 280 A CA -0.643 51.303 52.037 -0.153 0.000 0.746 280 A CB 0.916 19.858 19.000 -0.097 0.000 1.277 280 A HN 0.414 nan 8.150 nan 0.000 0.425 281 D N 1.648 121.991 120.400 -0.094 0.000 2.351 281 D HA 0.152 4.792 4.640 -0.000 0.000 0.251 281 D C 0.175 176.437 176.300 -0.064 0.000 1.137 281 D CA 0.290 54.243 54.000 -0.077 0.000 0.879 281 D CB 1.254 42.021 40.800 -0.055 0.000 1.181 281 D HN 0.687 nan 8.370 nan 0.000 0.448 282 E N 0.147 120.310 120.200 -0.061 0.000 2.436 282 E HA 0.162 4.512 4.350 -0.000 0.000 0.262 282 E C 0.909 177.488 176.600 -0.034 0.000 1.063 282 E CA 0.407 56.779 56.400 -0.047 0.000 0.944 282 E CB 0.326 30.001 29.700 -0.041 0.000 0.950 282 E HN 0.669 nan 8.360 nan 0.000 0.444 283 G N 3.279 112.064 108.800 -0.025 0.000 2.141 283 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.242 283 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.242 283 G C -0.131 174.759 174.900 -0.017 0.000 0.982 283 G CA 0.192 45.281 45.100 -0.019 0.000 0.662 283 G HN 0.701 nan 8.290 nan 0.000 0.527 284 D N 0.276 120.665 120.400 -0.020 0.000 2.351 284 D HA 0.277 4.917 4.640 -0.000 0.000 0.251 284 D C 1.634 177.930 176.300 -0.008 0.000 1.137 284 D CA -0.179 53.811 54.000 -0.016 0.000 0.879 284 D CB 0.581 41.368 40.800 -0.022 0.000 1.181 284 D HN 0.436 nan 8.370 nan 0.000 0.448 285 Q N 2.723 122.521 119.800 -0.004 0.000 2.065 285 Q HA -0.221 4.119 4.340 -0.000 0.000 0.213 285 Q C 0.409 176.412 176.000 0.004 0.000 1.012 285 Q CA 1.478 57.281 55.803 0.001 0.000 0.876 285 Q CB -0.104 28.635 28.738 0.002 0.000 0.954 285 Q HN 0.456 nan 8.270 nan 0.000 0.413 286 R N 1.825 122.328 120.500 0.006 0.000 2.697 286 R HA -0.034 4.306 4.340 -0.000 0.000 0.265 286 R C -0.170 176.137 176.300 0.013 0.000 1.009 286 R CA 0.127 56.234 56.100 0.012 0.000 1.099 286 R CB 0.104 30.413 30.300 0.016 0.000 0.965 286 R HN 0.300 nan 8.270 nan 0.000 0.428 287 Q N 0.926 120.736 119.800 0.018 0.000 2.274 287 Q HA -0.002 4.338 4.340 -0.000 0.000 0.280 287 Q C 0.332 176.349 176.000 0.027 0.000 1.047 287 Q CA 0.526 56.340 55.803 0.019 0.000 0.907 287 Q CB 1.018 29.768 28.738 0.020 0.000 1.171 287 Q HN 0.492 nan 8.270 nan 0.000 0.381 288 T N 0.577 115.146 114.554 0.025 0.000 2.893 288 T HA 0.845 5.195 4.350 -0.000 0.000 0.279 288 T C -1.207 173.524 174.700 0.052 0.000 0.991 288 T CA -0.115 62.007 62.100 0.036 0.000 0.950 288 T CB 1.196 70.072 68.868 0.013 0.000 1.223 288 T HN 0.715 nan 8.240 nan 0.000 0.585 289 A N 1.055 123.925 122.820 0.082 0.000 2.590 289 A HA 0.597 4.917 4.320 -0.000 0.000 0.294 289 A C -1.177 176.506 177.584 0.166 0.000 1.046 289 A CA -0.704 51.392 52.037 0.097 0.000 0.684 289 A CB 1.081 20.134 19.000 0.088 0.000 1.279 289 A HN 0.832 nan 8.150 nan 0.000 0.415 290 E N 0.744 121.029 120.200 0.142 0.000 2.221 290 E HA 0.785 5.135 4.350 -0.000 0.000 0.268 290 E C -0.443 176.266 176.600 0.182 0.000 0.933 290 E CA -0.580 55.938 56.400 0.196 0.000 0.809 290 E CB 1.159 30.922 29.700 0.106 0.000 1.190 290 E HN 0.570 nan 8.360 nan 0.000 0.406 291 I N 0.951 121.667 120.570 0.242 0.000 3.864 291 I HA -0.000 4.170 4.170 -0.000 0.000 0.270 291 I C 1.790 177.967 176.117 0.100 0.000 0.836 291 I CA -0.752 60.602 61.300 0.090 0.000 2.547 291 I CB -0.510 37.431 38.000 -0.097 0.000 1.542 291 I HN 0.397 nan 8.210 nan 0.000 0.494 292 Q N 1.306 121.192 119.800 0.144 0.000 1.941 292 Q HA -0.025 4.315 4.340 -0.000 0.000 0.201 292 Q C 1.480 177.553 176.000 0.121 0.000 0.982 292 Q CA 2.191 58.064 55.803 0.116 0.000 0.839 292 Q CB -0.337 28.487 28.738 0.143 0.000 0.904 292 Q HN 0.755 nan 8.270 nan 0.000 0.427 293 G N -0.859 108.043 108.800 0.169 0.000 3.934 293 G HA2 0.181 4.140 3.960 -0.000 0.000 0.212 293 G HA3 0.181 4.140 3.960 -0.000 0.000 0.212 293 G C 0.178 175.120 174.900 0.070 0.000 1.126 293 G CA -0.445 44.713 45.100 0.097 0.000 0.877 293 G HN 0.021 nan 8.290 nan 0.000 0.556 294 R N -0.152 120.419 120.500 0.118 0.000 2.943 294 R HA 0.743 5.083 4.340 -0.000 0.000 0.246 294 R C -0.579 175.623 176.300 -0.164 0.000 1.201 294 R CA -0.907 55.125 56.100 -0.113 0.000 1.056 294 R CB 1.378 31.447 30.300 -0.385 0.000 1.243 294 R HN -0.085 nan 8.270 nan 0.000 0.498 295 R N 0.481 120.755 120.500 -0.377 0.000 2.393 295 R HA 0.286 4.626 4.340 -0.000 0.000 0.310 295 R C -1.262 174.746 176.300 -0.487 0.000 0.968 295 R CA -0.349 55.606 56.100 -0.242 0.000 0.867 295 R CB 1.034 31.248 30.300 -0.143 0.000 1.124 295 R HN 0.432 nan 8.270 nan 0.000 0.450 296 W N 1.277 122.568 121.300 -0.015 0.000 2.706 296 W HA 0.676 5.336 4.660 -0.000 0.000 0.346 296 W C -0.523 175.986 176.519 -0.017 0.000 1.071 296 W CA -0.573 56.761 57.345 -0.017 0.000 1.206 296 W CB 1.869 31.316 29.460 -0.022 0.000 1.413 296 W HN 0.516 nan 8.180 nan 0.000 0.542 297 A N 1.201 124.147 122.820 0.210 0.000 2.455 297 A HA 0.659 4.979 4.320 -0.000 0.000 0.300 297 A C -1.157 176.494 177.584 0.112 0.000 1.040 297 A CA -0.832 51.275 52.037 0.116 0.000 0.697 297 A CB 0.894 19.927 19.000 0.054 0.000 1.265 297 A HN 0.440 nan 8.150 nan 0.000 0.407 298 V N 2.339 122.297 119.914 0.073 0.000 2.584 298 V HA 0.254 4.374 4.120 -0.000 0.000 0.303 298 V C 1.350 177.476 176.094 0.053 0.000 1.035 298 V CA 0.712 63.041 62.300 0.048 0.000 1.172 298 V CB 0.084 31.923 31.823 0.028 0.000 0.896 298 V HN 1.301 nan 8.190 nan 0.000 0.486 299 A N 5.927 128.781 122.820 0.056 0.000 2.547 299 A HA 0.389 4.708 4.320 -0.000 0.000 0.233 299 A C -0.105 177.509 177.584 0.049 0.000 1.067 299 A CA 0.056 52.127 52.037 0.057 0.000 0.763 299 A CB 0.148 19.184 19.000 0.060 0.000 1.007 299 A HN 0.754 nan 8.150 nan 0.000 0.506 300 V N 3.902 123.842 119.914 0.042 0.000 2.604 300 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 300 V C -2.166 173.949 176.094 0.034 0.000 1.043 300 V CA -1.558 60.764 62.300 0.036 0.000 0.888 300 V CB 1.853 33.693 31.823 0.028 0.000 0.995 300 V HN 0.901 nan 8.190 nan 0.000 0.429 301 P HA 0.057 nan 4.420 nan 0.000 0.253 301 P C 0.783 178.096 177.300 0.023 0.000 1.159 301 P CA 1.530 64.647 63.100 0.028 0.000 0.779 301 P CB 0.240 31.955 31.700 0.025 0.000 0.745 302 G N 2.443 111.257 108.800 0.023 0.000 2.296 302 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.188 302 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.188 302 G C -0.304 174.607 174.900 0.020 0.000 1.000 302 G CA -0.489 44.622 45.100 0.018 0.000 0.672 302 G HN 0.491 nan 8.290 nan 0.000 0.483 303 D N 3.004 123.420 120.400 0.025 0.000 2.312 303 D HA 0.471 5.110 4.640 -0.000 0.000 0.252 303 D C -1.484 174.834 176.300 0.031 0.000 1.150 303 D CA -0.872 53.145 54.000 0.028 0.000 0.870 303 D CB 1.645 42.467 40.800 0.036 0.000 1.153 303 D HN 0.231 nan 8.370 nan 0.000 0.457 304 P HA 0.096 nan 4.420 nan 0.000 0.268 304 P C 0.042 177.366 177.300 0.041 0.000 1.205 304 P CA -0.214 62.903 63.100 0.029 0.000 0.771 304 P CB 0.842 32.555 31.700 0.023 0.000 0.858 305 I N 2.632 123.226 120.570 0.040 0.000 2.471 305 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 305 I C 0.485 176.634 176.117 0.054 0.000 1.123 305 I CA -0.074 61.255 61.300 0.048 0.000 1.336 305 I CB 0.075 38.100 38.000 0.040 0.000 1.430 305 I HN 0.032 nan 8.210 nan 0.000 0.533 306 V N 6.020 125.980 119.914 0.075 0.000 2.612 306 V HA 0.196 4.316 4.120 -0.000 0.000 0.301 306 V C 0.475 176.628 176.094 0.098 0.000 1.046 306 V CA -0.891 61.467 62.300 0.096 0.000 0.946 306 V CB 1.720 33.627 31.823 0.140 0.000 1.003 306 V HN 0.678 nan 8.190 nan 0.000 0.459 307 E N 2.073 122.326 120.200 0.088 0.000 2.413 307 E HA 0.360 4.710 4.350 -0.000 0.000 0.263 307 E C 0.063 176.683 176.600 0.034 0.000 1.015 307 E CA -0.217 56.215 56.400 0.052 0.000 0.916 307 E CB 0.930 30.656 29.700 0.045 0.000 0.947 307 E HN 0.884 nan 8.360 nan 0.000 0.440 308 A N 5.192 127.977 122.820 -0.057 0.000 2.322 308 A HA 0.387 4.707 4.320 -0.000 0.000 0.269 308 A C -2.318 175.091 177.584 -0.292 0.000 1.094 308 A CA -1.460 50.454 52.037 -0.205 0.000 0.807 308 A CB 0.356 19.242 19.000 -0.189 0.000 1.047 308 A HN 0.505 nan 8.150 nan 0.000 0.487 309 P HA 0.171 nan 4.420 nan 0.000 0.276 309 P C -0.056 177.057 177.300 -0.311 0.000 1.253 309 P CA -0.054 62.736 63.100 -0.516 0.000 0.766 309 P CB 0.855 31.960 31.700 -0.993 0.000 0.845 310 V N 5.885 125.690 119.914 -0.182 0.000 2.901 310 V HA 0.284 4.404 4.120 -0.000 0.000 0.307 310 V C 0.243 176.256 176.094 -0.135 0.000 1.084 310 V CA 0.969 63.190 62.300 -0.133 0.000 1.184 310 V CB 0.633 32.407 31.823 -0.081 0.000 0.941 310 V HN 0.482 nan 8.190 nan 0.000 0.493 311 V N 0.000 119.842 119.914 -0.120 0.000 2.409 311 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 311 V CA 0.000 62.236 62.300 -0.107 0.000 1.235 311 V CB 0.000 31.745 31.823 -0.130 0.000 1.184 311 V HN 0.000 nan 8.190 nan 0.000 0.556