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 1g0r_1_D DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.610 176.600 0.016 0.000 0.988 2 K CA 0.000 56.292 56.287 0.009 0.000 0.838 2 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 3 R N 3.318 123.838 120.500 0.033 0.000 2.562 3 R HA 0.509 4.849 4.340 -0.000 0.000 0.298 3 R C -0.711 175.602 176.300 0.023 0.000 0.961 3 R CA -0.792 55.336 56.100 0.048 0.000 0.881 3 R CB 1.098 31.461 30.300 0.105 0.000 1.159 3 R HN 0.547 nan 8.270 nan 0.000 0.450 4 K N 1.281 121.687 120.400 0.010 0.000 2.118 4 K HA 0.436 4.755 4.320 -0.000 0.000 0.254 4 K C -0.208 176.473 176.600 0.136 0.000 0.961 4 K CA -0.763 55.533 56.287 0.015 0.000 0.876 4 K CB 2.030 34.414 32.500 -0.193 0.000 1.077 4 K HN 0.719 nan 8.250 nan 0.000 0.440 5 G N 1.486 110.410 108.800 0.206 0.000 2.432 5 G HA2 0.672 4.631 3.960 -0.000 0.000 0.331 5 G HA3 0.672 4.631 3.960 -0.000 0.000 0.331 5 G C -0.831 174.141 174.900 0.119 0.000 1.170 5 G CA -0.678 44.504 45.100 0.136 0.000 0.943 5 G HN 0.457 nan 8.290 nan 0.000 0.483 6 I N 1.104 121.685 120.570 0.018 0.000 2.466 6 I HA 0.356 4.525 4.170 -0.000 0.000 0.289 6 I C -0.591 175.474 176.117 -0.087 0.000 1.026 6 I CA -0.592 60.649 61.300 -0.099 0.000 1.078 6 I CB 2.328 40.234 38.000 -0.157 0.000 1.249 6 I HN 0.205 nan 8.210 nan 0.000 0.429 7 I N 6.487 126.979 120.570 -0.130 0.000 2.339 7 I HA 0.271 4.440 4.170 -0.000 0.000 0.290 7 I C -0.678 175.362 176.117 -0.127 0.000 0.994 7 I CA -0.771 60.473 61.300 -0.092 0.000 1.191 7 I CB 1.663 39.606 38.000 -0.094 0.000 1.343 7 I HN 0.307 nan 8.210 nan 0.000 0.458 8 L N 7.164 128.346 121.223 -0.070 0.000 2.268 8 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 8 L C 0.481 177.318 176.870 -0.055 0.000 1.064 8 L CA 0.285 55.084 54.840 -0.069 0.000 0.824 8 L CB 0.896 42.938 42.059 -0.029 0.000 1.202 8 L HN 0.731 nan 8.230 nan 0.000 0.433 9 A N 3.872 126.625 122.820 -0.112 0.000 2.610 9 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 9 A C 0.566 178.133 177.584 -0.028 0.000 1.001 9 A CA 0.183 52.140 52.037 -0.135 0.000 1.004 9 A CB -0.275 18.453 19.000 -0.453 0.000 1.220 9 A HN 0.752 nan 8.150 nan 0.000 0.507 10 G N -0.467 108.340 108.800 0.012 0.000 3.075 10 G HA2 0.677 4.637 3.960 -0.000 0.000 0.156 10 G HA3 0.677 4.637 3.960 -0.000 0.000 0.156 10 G C 0.539 175.474 174.900 0.059 0.000 1.403 10 G CA -0.323 44.812 45.100 0.057 0.000 1.033 10 G HN 1.744 nan 8.290 nan 0.000 0.589 11 G N -1.958 106.869 108.800 0.044 0.000 2.885 11 G HA2 0.194 4.154 3.960 -0.000 0.000 0.685 11 G HA3 0.194 4.154 3.960 -0.000 0.000 0.685 11 G C 0.657 175.571 174.900 0.023 0.000 1.216 11 G CA 0.446 45.564 45.100 0.030 0.000 0.790 11 G HN 1.039 nan 8.290 nan 0.000 0.631 12 S N 0.102 115.805 115.700 0.005 0.000 2.390 12 S HA -0.023 4.447 4.470 -0.000 0.000 0.234 12 S C 2.624 177.215 174.600 -0.015 0.000 1.063 12 S CA 3.740 61.937 58.200 -0.004 0.000 1.108 12 S CB -0.479 62.707 63.200 -0.024 0.000 0.975 12 S HN 2.717 nan 8.310 nan 0.000 0.442 13 G N -1.565 107.197 108.800 -0.064 0.000 2.259 13 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.217 13 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.217 13 G C 0.819 175.522 174.900 -0.328 0.000 1.001 13 G CA 0.840 45.878 45.100 -0.103 0.000 0.627 13 G HN 0.470 nan 8.290 nan 0.000 0.501 14 T N 0.501 114.861 114.554 -0.323 0.000 2.142 14 T HA -0.463 3.887 4.350 -0.000 0.000 0.179 14 T C 1.987 176.257 174.700 -0.718 0.000 1.682 14 T CA 2.741 64.601 62.100 -0.400 0.000 0.955 14 T CB -0.534 68.234 68.868 -0.168 0.000 0.784 14 T HN 0.708 nan 8.240 nan 0.000 0.441 15 R N 0.611 120.865 120.500 -0.409 0.000 2.082 15 R HA 0.104 4.444 4.340 -0.000 0.000 0.228 15 R C 2.651 178.795 176.300 -0.262 0.000 1.140 15 R CA 1.524 57.453 56.100 -0.286 0.000 0.920 15 R CB -0.595 29.559 30.300 -0.244 0.000 0.828 15 R HN 0.441 nan 8.270 nan 0.000 0.430 16 L N 1.129 122.196 121.223 -0.261 0.000 2.661 16 L HA -0.145 4.195 4.340 -0.000 0.000 0.236 16 L C 0.119 177.120 176.870 0.218 0.000 1.176 16 L CA 0.271 55.061 54.840 -0.084 0.000 0.836 16 L CB -1.055 40.966 42.059 -0.064 0.000 0.960 16 L HN 0.408 nan 8.230 nan 0.000 0.455 17 H N 0.528 119.642 119.070 0.074 0.000 3.185 17 H HA -0.125 4.431 4.556 -0.000 0.000 0.292 17 H C -1.452 173.954 175.328 0.130 0.000 0.923 17 H CA -0.808 55.289 56.048 0.081 0.000 1.364 17 H CB 0.110 29.900 29.762 0.048 0.000 1.243 17 H HN 0.112 nan 8.280 nan 0.000 0.570 18 P HA 0.082 nan 4.420 nan 0.000 0.257 18 P C 0.945 178.318 177.300 0.121 0.000 1.281 18 P CA 0.521 63.689 63.100 0.113 0.000 0.826 18 P CB 0.289 32.003 31.700 0.024 0.000 1.237 19 A N 0.850 123.765 122.820 0.159 0.000 1.908 19 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 19 A C 1.850 179.502 177.584 0.113 0.000 1.181 19 A CA 2.354 54.462 52.037 0.119 0.000 0.627 19 A CB -1.743 17.348 19.000 0.151 0.000 0.818 19 A HN 0.344 nan 8.150 nan 0.000 0.445 20 T N -2.137 112.514 114.554 0.161 0.000 3.244 20 T HA 0.469 4.819 4.350 -0.000 0.000 0.254 20 T C 1.195 175.996 174.700 0.169 0.000 1.024 20 T CA 0.027 62.212 62.100 0.142 0.000 0.920 20 T CB -0.113 68.823 68.868 0.112 0.000 1.042 20 T HN 0.286 nan 8.240 nan 0.000 0.572 21 L N 0.229 121.530 121.223 0.130 0.000 2.095 21 L HA 0.195 4.535 4.340 -0.000 0.000 0.204 21 L C 3.043 179.936 176.870 0.038 0.000 1.080 21 L CA 1.127 56.003 54.840 0.061 0.000 0.759 21 L CB -0.533 41.516 42.059 -0.018 0.000 0.914 21 L HN 0.417 nan 8.230 nan 0.000 0.439 22 A N -0.795 122.042 122.820 0.029 0.000 1.970 22 A HA 0.112 4.432 4.320 -0.000 0.000 0.216 22 A C 1.065 178.652 177.584 0.004 0.000 1.170 22 A CA 0.939 52.981 52.037 0.009 0.000 0.645 22 A CB 0.079 19.080 19.000 0.001 0.000 0.816 22 A HN 0.323 nan 8.150 nan 0.000 0.447 23 I N -2.183 118.398 120.570 0.018 0.000 3.066 23 I HA 0.263 4.433 4.170 -0.000 0.000 0.307 23 I C -0.148 175.987 176.117 0.030 0.000 1.366 23 I CA -0.693 60.609 61.300 0.002 0.000 0.972 23 I CB 2.123 40.103 38.000 -0.034 0.000 1.307 23 I HN 0.081 nan 8.210 nan 0.000 0.470 24 S N 3.636 119.353 115.700 0.027 0.000 2.560 24 S HA 0.076 4.546 4.470 -0.000 0.000 0.284 24 S C 1.144 175.804 174.600 0.100 0.000 1.327 24 S CA 0.325 58.577 58.200 0.087 0.000 1.055 24 S CB 1.039 64.337 63.200 0.163 0.000 0.868 24 S HN 0.780 nan 8.310 nan 0.000 0.506 25 K N 2.138 122.602 120.400 0.105 0.000 2.127 25 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 25 K C 1.602 178.288 176.600 0.143 0.000 1.047 25 K CA 2.039 58.384 56.287 0.096 0.000 0.927 25 K CB -0.226 32.312 32.500 0.063 0.000 0.716 25 K HN 0.709 nan 8.250 nan 0.000 0.450 26 Q N 0.146 120.091 119.800 0.242 0.000 2.472 26 Q HA 0.051 4.391 4.340 -0.000 0.000 0.208 26 Q C 1.321 177.561 176.000 0.400 0.000 0.958 26 Q CA 0.605 56.612 55.803 0.340 0.000 0.932 26 Q CB 0.233 29.204 28.738 0.388 0.000 1.007 26 Q HN 0.351 nan 8.270 nan 0.000 0.508 27 L N -0.625 120.730 121.223 0.221 0.000 2.585 27 L HA 0.177 4.517 4.340 -0.000 0.000 0.226 27 L C 0.084 176.980 176.870 0.042 0.000 1.113 27 L CA -0.162 54.718 54.840 0.066 0.000 0.876 27 L CB 0.093 42.064 42.059 -0.146 0.000 1.072 27 L HN 0.124 nan 8.230 nan 0.000 0.468 28 L N 1.105 122.368 121.223 0.065 0.000 2.461 28 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 28 L C -2.089 174.810 176.870 0.049 0.000 1.197 28 L CA -1.851 53.015 54.840 0.043 0.000 0.836 28 L CB -0.202 41.887 42.059 0.050 0.000 1.105 28 L HN -0.187 nan 8.230 nan 0.000 0.477 29 P HA 0.114 nan 4.420 nan 0.000 0.275 29 P C -0.802 176.541 177.300 0.071 0.000 1.228 29 P CA -0.264 62.857 63.100 0.035 0.000 0.786 29 P CB 0.999 32.694 31.700 -0.008 0.000 0.927 30 V N 5.439 125.434 119.914 0.135 0.000 2.275 30 V HA 0.154 4.273 4.120 -0.000 0.000 0.272 30 V C 0.460 176.698 176.094 0.239 0.000 1.028 30 V CA 0.073 62.428 62.300 0.091 0.000 0.810 30 V CB -0.820 30.924 31.823 -0.131 0.000 1.043 30 V HN 0.697 nan 8.190 nan 0.000 0.453 31 Y N 4.406 124.732 120.300 0.043 0.000 2.765 31 Y HA -0.443 4.106 4.550 -0.000 0.000 0.475 31 Y C 1.359 177.289 175.900 0.051 0.000 1.123 31 Y CA 2.641 60.769 58.100 0.047 0.000 2.832 31 Y CB -0.916 37.577 38.460 0.055 0.000 1.104 31 Y HN 0.712 nan 8.280 nan 0.000 0.602 32 D N 0.974 121.284 120.400 -0.149 0.000 2.500 32 D HA 0.219 4.859 4.640 -0.000 0.000 0.217 32 D C -0.003 176.217 176.300 -0.133 0.000 1.159 32 D CA 0.572 54.374 54.000 -0.329 0.000 0.828 32 D CB 0.216 40.767 40.800 -0.414 0.000 1.039 32 D HN 0.703 nan 8.370 nan 0.000 0.512 33 K N -0.694 119.682 120.400 -0.041 0.000 2.556 33 K HA 0.576 4.896 4.320 -0.000 0.000 0.274 33 K C -3.434 173.074 176.600 -0.154 0.000 0.966 33 K CA -1.970 54.186 56.287 -0.219 0.000 0.865 33 K CB 1.773 34.117 32.500 -0.260 0.000 1.444 33 K HN -0.350 nan 8.250 nan 0.000 0.433 34 P HA -0.002 nan 4.420 nan 0.000 0.268 34 P C 0.565 177.958 177.300 0.156 0.000 1.205 34 P CA -0.360 62.670 63.100 -0.115 0.000 0.771 34 P CB 0.464 32.061 31.700 -0.171 0.000 0.858 35 M N 4.473 124.226 119.600 0.255 0.000 2.143 35 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 35 M C 1.573 178.148 176.300 0.458 0.000 1.071 35 M CA 1.905 57.425 55.300 0.365 0.000 1.088 35 M CB -1.093 31.632 32.600 0.208 0.000 1.360 35 M HN 0.369 nan 8.290 nan 0.000 0.404 36 I N -0.688 120.126 120.570 0.407 0.000 2.567 36 I HA -0.292 3.878 4.170 -0.000 0.000 0.257 36 I C 1.343 177.723 176.117 0.439 0.000 1.184 36 I CA 1.023 62.556 61.300 0.389 0.000 1.451 36 I CB -0.215 38.025 38.000 0.400 0.000 1.089 36 I HN 0.304 nan 8.210 nan 0.000 0.441 37 Y N 0.211 120.632 120.300 0.201 0.000 2.256 37 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 37 Y C 2.142 178.036 175.900 -0.009 0.000 1.155 37 Y CA 1.328 59.457 58.100 0.048 0.000 1.203 37 Y CB -1.242 37.142 38.460 -0.126 0.000 0.980 37 Y HN 0.273 nan 8.280 nan 0.000 0.530 38 Y N -0.307 120.176 120.300 0.304 0.000 2.130 38 Y HA -0.116 4.434 4.550 -0.000 0.000 0.287 38 Y C -0.071 175.969 175.900 0.234 0.000 1.124 38 Y CA 1.256 59.498 58.100 0.237 0.000 1.118 38 Y CB -2.031 36.541 38.460 0.187 0.000 0.994 38 Y HN 0.049 nan 8.280 nan 0.000 0.497 39 P HA -0.147 nan 4.420 nan 0.000 0.218 39 P C 1.780 179.208 177.300 0.213 0.000 1.149 39 P CA 1.092 64.364 63.100 0.288 0.000 0.817 39 P CB -0.036 31.802 31.700 0.230 0.000 0.785 40 L N 1.185 122.522 121.223 0.190 0.000 1.989 40 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 40 L C 2.494 179.448 176.870 0.140 0.000 1.071 40 L CA 2.760 57.686 54.840 0.144 0.000 0.749 40 L CB -1.780 40.364 42.059 0.142 0.000 0.890 40 L HN 0.040 nan 8.230 nan 0.000 0.431 41 S N -2.324 113.454 115.700 0.130 0.000 2.400 41 S HA -0.208 4.261 4.470 -0.000 0.000 0.232 41 S C 1.856 176.562 174.600 0.176 0.000 1.025 41 S CA 1.668 59.938 58.200 0.117 0.000 0.993 41 S CB -1.195 62.053 63.200 0.079 0.000 0.808 41 S HN 0.596 nan 8.310 nan 0.000 0.478 42 T N 2.829 117.528 114.554 0.242 0.000 2.737 42 T HA 0.121 4.471 4.350 -0.000 0.000 0.265 42 T C 1.730 176.502 174.700 0.121 0.000 1.038 42 T CA 1.496 63.755 62.100 0.264 0.000 1.144 42 T CB -0.473 68.603 68.868 0.346 0.000 0.866 42 T HN 0.331 nan 8.240 nan 0.000 0.434 43 L N 0.245 121.540 121.223 0.121 0.000 2.017 43 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 43 L C 2.707 179.671 176.870 0.156 0.000 1.073 43 L CA 1.346 56.244 54.840 0.096 0.000 0.745 43 L CB -0.566 41.543 42.059 0.082 0.000 0.894 43 L HN 0.320 nan 8.230 nan 0.000 0.432 44 M N -0.460 119.257 119.600 0.196 0.000 2.082 44 M HA -0.271 4.209 4.480 -0.000 0.000 0.258 44 M C 2.288 178.688 176.300 0.167 0.000 1.069 44 M CA 1.869 57.353 55.300 0.307 0.000 1.102 44 M CB -0.483 32.286 32.600 0.282 0.000 1.336 44 M HN 0.215 nan 8.290 nan 0.000 0.404 45 L N -0.306 120.950 121.223 0.056 0.000 2.131 45 L HA -0.121 4.218 4.340 -0.000 0.000 0.210 45 L C 2.563 179.412 176.870 -0.035 0.000 1.092 45 L CA 0.789 55.598 54.840 -0.050 0.000 0.759 45 L CB -0.719 41.318 42.059 -0.036 0.000 0.903 45 L HN 0.299 nan 8.230 nan 0.000 0.435 46 A N -0.248 122.583 122.820 0.018 0.000 2.248 46 A HA 0.153 4.473 4.320 -0.000 0.000 0.210 46 A C 1.772 179.454 177.584 0.163 0.000 1.174 46 A CA 0.876 52.962 52.037 0.081 0.000 0.750 46 A CB -0.772 18.322 19.000 0.156 0.000 0.780 46 A HN 0.566 nan 8.150 nan 0.000 0.478 47 G N -1.286 107.649 108.800 0.224 0.000 2.143 47 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.249 47 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.249 47 G C 0.038 175.161 174.900 0.373 0.000 0.981 47 G CA 0.258 45.575 45.100 0.361 0.000 0.665 47 G HN 0.520 nan 8.290 nan 0.000 0.528 48 I N 0.073 120.818 120.570 0.291 0.000 2.304 48 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 48 I C 1.420 177.536 176.117 -0.002 0.000 1.018 48 I CA -0.669 60.702 61.300 0.118 0.000 1.260 48 I CB 1.351 39.410 38.000 0.099 0.000 1.390 48 I HN 0.043 nan 8.210 nan 0.000 0.475 49 R N 3.107 123.473 120.500 -0.223 0.000 2.279 49 R HA 0.129 4.469 4.340 -0.000 0.000 0.195 49 R C 0.288 176.473 176.300 -0.191 0.000 0.905 49 R CA 0.076 55.918 56.100 -0.429 0.000 1.044 49 R CB 0.586 30.422 30.300 -0.774 0.000 1.056 49 R HN 0.550 nan 8.270 nan 0.000 0.535 50 E N 1.628 121.776 120.200 -0.087 0.000 2.092 50 E HA 0.336 4.685 4.350 -0.000 0.000 0.271 50 E C -1.129 175.575 176.600 0.172 0.000 0.919 50 E CA -0.222 56.191 56.400 0.022 0.000 0.760 50 E CB 0.671 30.356 29.700 -0.024 0.000 1.106 50 E HN 0.056 nan 8.360 nan 0.000 0.408 51 I N 4.558 125.218 120.570 0.151 0.000 2.619 51 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 51 I C -1.185 174.790 176.117 -0.236 0.000 1.100 51 I CA -1.178 60.155 61.300 0.055 0.000 1.043 51 I CB 1.856 39.840 38.000 -0.027 0.000 1.239 51 I HN 0.463 nan 8.210 nan 0.000 0.420 52 L N 7.318 128.198 121.223 -0.572 0.000 2.272 52 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 52 L C -0.762 175.797 176.870 -0.518 0.000 1.032 52 L CA 0.032 54.370 54.840 -0.837 0.000 0.810 52 L CB 0.885 42.084 42.059 -1.434 0.000 1.205 52 L HN 0.391 nan 8.230 nan 0.000 0.422 53 I N 6.615 126.875 120.570 -0.518 0.000 2.312 53 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 53 I C -0.368 175.607 176.117 -0.237 0.000 1.008 53 I CA -0.202 60.874 61.300 -0.374 0.000 1.226 53 I CB 0.968 38.730 38.000 -0.397 0.000 1.371 53 I HN 0.488 nan 8.210 nan 0.000 0.468 54 I N 5.594 126.041 120.570 -0.205 0.000 2.377 54 I HA 0.422 4.592 4.170 -0.000 0.000 0.293 54 I C 0.234 176.299 176.117 -0.087 0.000 0.987 54 I CA 0.105 61.332 61.300 -0.121 0.000 1.185 54 I CB 1.786 39.706 38.000 -0.134 0.000 1.341 54 I HN 0.549 nan 8.210 nan 0.000 0.455 55 S N 2.773 118.476 115.700 0.005 0.000 2.880 55 S HA 0.557 5.027 4.470 -0.000 0.000 0.308 55 S C -0.375 174.277 174.600 0.086 0.000 1.195 55 S CA -0.423 57.819 58.200 0.069 0.000 0.866 55 S CB 1.623 64.942 63.200 0.197 0.000 1.254 55 S HN 0.720 nan 8.310 nan 0.000 0.571 56 T N 0.357 114.982 114.554 0.117 0.000 2.847 56 T HA 0.469 4.819 4.350 -0.000 0.000 0.279 56 T C -2.185 172.562 174.700 0.078 0.000 0.984 56 T CA -1.221 60.930 62.100 0.084 0.000 0.988 56 T CB 0.486 69.404 68.868 0.082 0.000 1.040 56 T HN 0.281 nan 8.240 nan 0.000 0.528 57 P HA -0.157 nan 4.420 nan 0.000 0.215 57 P C 1.887 179.207 177.300 0.035 0.000 1.153 57 P CA 1.146 64.269 63.100 0.038 0.000 0.853 57 P CB 0.000 31.716 31.700 0.027 0.000 0.788 58 Q N -1.162 118.660 119.800 0.036 0.000 2.269 58 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 58 Q C 0.949 176.960 176.000 0.018 0.000 0.946 58 Q CA 1.381 57.196 55.803 0.021 0.000 0.877 58 Q CB -0.800 27.949 28.738 0.018 0.000 0.963 58 Q HN 0.273 nan 8.270 nan 0.000 0.472 59 D N 1.038 121.475 120.400 0.060 0.000 2.338 59 D HA 0.020 4.659 4.640 -0.000 0.000 0.208 59 D C 1.571 177.962 176.300 0.152 0.000 0.997 59 D CA 1.118 55.156 54.000 0.063 0.000 0.880 59 D CB 0.159 41.061 40.800 0.171 0.000 0.980 59 D HN 0.226 nan 8.370 nan 0.000 0.509 60 T N 1.947 116.629 114.554 0.214 0.000 2.685 60 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 60 T C -0.865 173.888 174.700 0.089 0.000 1.034 60 T CA 1.342 63.593 62.100 0.251 0.000 1.149 60 T CB -1.299 67.660 68.868 0.152 0.000 0.860 60 T HN 0.179 nan 8.240 nan 0.000 0.449 61 P HA -0.026 nan 4.420 nan 0.000 0.215 61 P C 1.512 178.728 177.300 -0.140 0.000 1.153 61 P CA 1.119 64.152 63.100 -0.111 0.000 0.853 61 P CB -0.056 31.597 31.700 -0.078 0.000 0.788 62 R N -1.521 118.890 120.500 -0.149 0.000 2.081 62 R HA -0.099 4.240 4.340 -0.000 0.000 0.235 62 R C 2.228 178.365 176.300 -0.271 0.000 1.131 62 R CA 1.363 57.319 56.100 -0.240 0.000 0.960 62 R CB -1.031 29.066 30.300 -0.339 0.000 0.856 62 R HN 0.220 nan 8.270 nan 0.000 0.436 63 F N 1.094 121.041 119.950 -0.005 0.000 2.134 63 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 63 F C 2.629 178.421 175.800 -0.013 0.000 1.097 63 F CA 1.300 59.346 58.000 0.078 0.000 1.264 63 F CB -0.225 38.909 39.000 0.223 0.000 1.001 63 F HN 0.050 nan 8.300 nan 0.000 0.479 64 Q N -0.144 119.527 119.800 -0.216 0.000 2.124 64 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 64 Q C 2.298 178.176 176.000 -0.204 0.000 0.977 64 Q CA 1.567 57.039 55.803 -0.552 0.000 0.850 64 Q CB -0.316 27.979 28.738 -0.739 0.000 0.901 64 Q HN 0.531 nan 8.270 nan 0.000 0.429 65 Q N 0.486 120.199 119.800 -0.144 0.000 2.119 65 Q HA -0.174 4.166 4.340 -0.000 0.000 0.201 65 Q C 2.078 178.051 176.000 -0.044 0.000 0.972 65 Q CA 0.810 56.557 55.803 -0.092 0.000 0.847 65 Q CB 0.030 28.712 28.738 -0.094 0.000 0.903 65 Q HN 0.310 nan 8.270 nan 0.000 0.433 66 L N 0.194 121.414 121.223 -0.005 0.000 2.056 66 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 66 L C 1.710 178.624 176.870 0.074 0.000 1.078 66 L CA 1.717 56.594 54.840 0.062 0.000 0.749 66 L CB -0.068 42.066 42.059 0.124 0.000 0.901 66 L HN 0.297 nan 8.230 nan 0.000 0.433 67 L N -1.699 119.571 121.223 0.079 0.000 2.672 67 L HA 0.432 4.771 4.340 -0.000 0.000 0.236 67 L C 1.487 178.278 176.870 -0.131 0.000 1.092 67 L CA 0.177 54.992 54.840 -0.041 0.000 0.887 67 L CB -0.460 41.687 42.059 0.147 0.000 1.168 67 L HN 0.423 nan 8.230 nan 0.000 0.502 68 G N 2.261 111.047 108.800 -0.024 0.000 2.582 68 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.288 68 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.288 68 G C 0.398 175.346 174.900 0.080 0.000 1.247 68 G CA 0.620 45.706 45.100 -0.024 0.000 0.972 68 G HN 0.498 nan 8.290 nan 0.000 0.557 69 D N 0.567 120.970 120.400 0.005 0.000 2.339 69 D HA 0.378 5.018 4.640 -0.000 0.000 0.217 69 D C 1.842 178.124 176.300 -0.031 0.000 1.050 69 D CA 1.411 55.431 54.000 0.035 0.000 0.856 69 D CB -0.142 40.672 40.800 0.024 0.000 0.922 69 D HN 2.196 nan 8.370 nan 0.000 0.518 70 G N 0.352 109.079 108.800 -0.121 0.000 2.234 70 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.235 70 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.235 70 G C 1.345 176.194 174.900 -0.084 0.000 0.997 70 G CA 0.855 45.876 45.100 -0.131 0.000 0.623 70 G HN 0.653 nan 8.290 nan 0.000 0.514 71 S N 0.890 116.549 115.700 -0.068 0.000 2.399 71 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 71 S C 1.873 176.478 174.600 0.009 0.000 1.022 71 S CA 1.693 59.883 58.200 -0.017 0.000 0.983 71 S CB -0.324 62.868 63.200 -0.013 0.000 0.803 71 S HN 0.462 nan 8.310 nan 0.000 0.480 72 N N 0.380 119.040 118.700 -0.067 0.000 2.453 72 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 72 N C 0.178 175.828 175.510 0.233 0.000 1.041 72 N CA 0.826 53.880 53.050 0.008 0.000 0.900 72 N CB -0.307 38.115 38.487 -0.108 0.000 0.961 72 N HN 0.639 nan 8.380 nan 0.000 0.443 73 W N -0.126 121.222 121.300 0.080 0.000 3.102 73 W HA 0.464 5.124 4.660 -0.000 0.000 0.401 73 W C 1.124 177.736 176.519 0.155 0.000 1.070 73 W CA -0.300 57.112 57.345 0.112 0.000 1.921 73 W CB -0.768 28.748 29.460 0.093 0.000 1.118 73 W HN 0.072 nan 8.180 nan 0.000 0.647 74 G N 0.756 109.734 108.800 0.296 0.000 2.159 74 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 74 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 74 G C 0.062 174.992 174.900 0.050 0.000 0.977 74 G CA 0.147 45.374 45.100 0.211 0.000 0.652 74 G HN 0.181 nan 8.290 nan 0.000 0.531 75 L N -0.162 121.108 121.223 0.079 0.000 2.358 75 L HA 0.668 5.007 4.340 -0.000 0.000 0.268 75 L C -0.146 176.696 176.870 -0.047 0.000 1.032 75 L CA -0.971 53.857 54.840 -0.019 0.000 0.805 75 L CB 1.333 43.442 42.059 0.084 0.000 1.253 75 L HN 0.090 nan 8.230 nan 0.000 0.452 76 D N 1.862 122.222 120.400 -0.065 0.000 2.472 76 D HA 0.396 5.035 4.640 -0.000 0.000 0.234 76 D C -1.024 175.259 176.300 -0.029 0.000 1.088 76 D CA -0.203 53.777 54.000 -0.034 0.000 0.882 76 D CB 0.456 41.238 40.800 -0.029 0.000 1.037 76 D HN 0.243 nan 8.370 nan 0.000 0.520 77 L N 3.090 124.280 121.223 -0.055 0.000 2.295 77 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 77 L C 0.529 177.270 176.870 -0.215 0.000 1.035 77 L CA -0.759 53.981 54.840 -0.167 0.000 0.806 77 L CB 1.510 43.454 42.059 -0.191 0.000 1.214 77 L HN 0.215 nan 8.230 nan 0.000 0.426 78 Q N 2.357 121.944 119.800 -0.356 0.000 2.351 78 Q HA 0.545 4.885 4.340 -0.000 0.000 0.273 78 Q C -1.572 174.067 176.000 -0.601 0.000 1.077 78 Q CA -0.753 54.878 55.803 -0.288 0.000 0.843 78 Q CB 3.029 31.650 28.738 -0.196 0.000 1.367 78 Q HN 0.393 nan 8.270 nan 0.000 0.449 79 Y N -0.741 119.493 120.300 -0.110 0.000 2.499 79 Y HA 0.741 5.291 4.550 -0.000 0.000 0.347 79 Y C -0.252 175.593 175.900 -0.093 0.000 0.987 79 Y CA -0.793 57.248 58.100 -0.098 0.000 1.044 79 Y CB 2.455 40.895 38.460 -0.033 0.000 1.245 79 Y HN 0.737 nan 8.280 nan 0.000 0.461 80 A N 0.924 123.778 122.820 0.056 0.000 2.609 80 A HA 0.818 5.138 4.320 -0.000 0.000 0.291 80 A C -2.039 175.561 177.584 0.026 0.000 1.096 80 A CA -0.731 51.317 52.037 0.019 0.000 0.684 80 A CB 1.188 20.161 19.000 -0.044 0.000 1.282 80 A HN 0.442 nan 8.150 nan 0.000 0.412 81 V N 1.158 121.085 119.914 0.023 0.000 2.483 81 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 81 V C -0.015 176.087 176.094 0.012 0.000 1.035 81 V CA -0.383 61.934 62.300 0.029 0.000 0.896 81 V CB 1.620 33.462 31.823 0.032 0.000 0.986 81 V HN 0.883 nan 8.190 nan 0.000 0.447 82 Q N 5.683 125.491 119.800 0.014 0.000 2.368 82 Q HA 0.365 4.704 4.340 -0.000 0.000 0.263 82 Q C -2.065 173.945 176.000 0.017 0.000 1.009 82 Q CA -1.750 54.057 55.803 0.007 0.000 0.818 82 Q CB 2.316 31.053 28.738 -0.002 0.000 1.239 82 Q HN 0.446 nan 8.270 nan 0.000 0.464 83 P HA -0.085 nan 4.420 nan 0.000 0.218 83 P C -0.260 177.052 177.300 0.019 0.000 1.148 83 P CA 0.798 63.909 63.100 0.017 0.000 0.822 83 P CB 0.360 32.069 31.700 0.014 0.000 0.784 84 S N -2.023 113.687 115.700 0.017 0.000 2.537 84 S HA 0.450 4.920 4.470 -0.000 0.000 0.270 84 S C -2.981 171.629 174.600 0.016 0.000 1.142 84 S CA -1.734 56.477 58.200 0.018 0.000 0.870 84 S CB 1.233 64.443 63.200 0.016 0.000 1.112 84 S HN -0.235 nan 8.310 nan 0.000 0.466 85 P HA 0.349 nan 4.420 nan 0.000 0.244 85 P C -0.694 176.615 177.300 0.015 0.000 1.769 85 P CA -0.071 63.039 63.100 0.017 0.000 1.102 85 P CB -0.095 31.616 31.700 0.018 0.000 1.937 86 D N 1.259 121.667 120.400 0.013 0.000 2.340 86 D HA 0.303 4.942 4.640 -0.000 0.000 0.217 86 D C 1.126 177.435 176.300 0.015 0.000 1.081 86 D CA 0.648 54.656 54.000 0.013 0.000 0.842 86 D CB 0.358 41.166 40.800 0.012 0.000 0.934 86 D HN 0.426 nan 8.370 nan 0.000 0.511 87 G N -0.469 108.342 108.800 0.017 0.000 2.316 87 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.468 87 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.468 87 G C 0.309 175.224 174.900 0.024 0.000 1.523 87 G CA -0.857 44.257 45.100 0.023 0.000 0.972 87 G HN 0.077 nan 8.290 nan 0.000 0.667 88 L N 0.743 121.987 121.223 0.035 0.000 2.217 88 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 88 L C 3.025 179.915 176.870 0.034 0.000 1.107 88 L CA 1.689 56.550 54.840 0.034 0.000 0.783 88 L CB -0.410 41.683 42.059 0.055 0.000 0.919 88 L HN 0.792 nan 8.230 nan 0.000 0.442 89 A N -0.671 122.184 122.820 0.058 0.000 2.168 89 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 89 A C 2.151 179.800 177.584 0.108 0.000 1.152 89 A CA 0.672 52.786 52.037 0.128 0.000 0.716 89 A CB -0.302 18.748 19.000 0.083 0.000 0.794 89 A HN 0.436 nan 8.150 nan 0.000 0.465 90 Q N -0.668 119.153 119.800 0.036 0.000 2.364 90 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 90 Q C 2.222 178.196 176.000 -0.044 0.000 0.977 90 Q CA 0.846 56.656 55.803 0.011 0.000 0.885 90 Q CB -0.288 28.449 28.738 -0.001 0.000 0.941 90 Q HN 0.737 nan 8.270 nan 0.000 0.464 91 A N -0.022 122.720 122.820 -0.130 0.000 2.019 91 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 91 A C 1.529 178.881 177.584 -0.386 0.000 1.164 91 A CA 1.045 52.903 52.037 -0.299 0.000 0.644 91 A CB -0.519 18.207 19.000 -0.457 0.000 0.805 91 A HN 0.334 nan 8.150 nan 0.000 0.449 92 F N -0.348 119.592 119.950 -0.017 0.000 2.416 92 F HA 0.086 4.613 4.527 -0.000 0.000 0.296 92 F C 1.969 177.765 175.800 -0.005 0.000 1.099 92 F CA 0.537 58.528 58.000 -0.016 0.000 1.427 92 F CB -0.129 38.829 39.000 -0.070 0.000 1.079 92 F HN 0.102 nan 8.300 nan 0.000 0.536 93 L N -0.272 121.012 121.223 0.103 0.000 2.007 93 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 93 L C 2.279 179.170 176.870 0.036 0.000 1.073 93 L CA 1.335 56.213 54.840 0.063 0.000 0.744 93 L CB -0.809 41.274 42.059 0.041 0.000 0.898 93 L HN 0.059 nan 8.230 nan 0.000 0.435 94 I N 0.434 121.004 120.570 -0.000 0.000 2.335 94 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 94 I C 2.150 178.262 176.117 -0.009 0.000 1.129 94 I CA 1.473 62.764 61.300 -0.014 0.000 1.402 94 I CB -0.558 37.416 38.000 -0.044 0.000 1.069 94 I HN 0.308 nan 8.210 nan 0.000 0.424 95 G N -0.364 108.428 108.800 -0.015 0.000 3.189 95 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.225 95 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.225 95 G C 1.268 176.264 174.900 0.159 0.000 1.159 95 G CA -0.065 45.060 45.100 0.040 0.000 0.763 95 G HN 0.408 nan 8.290 nan 0.000 0.549 96 E N 1.510 121.782 120.200 0.121 0.000 2.049 96 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 96 E C 2.618 179.287 176.600 0.115 0.000 1.007 96 E CA 1.881 58.355 56.400 0.123 0.000 0.809 96 E CB -0.132 29.618 29.700 0.084 0.000 0.749 96 E HN 0.450 nan 8.360 nan 0.000 0.450 97 S N -0.238 115.527 115.700 0.109 0.000 2.402 97 S HA -0.173 4.296 4.470 -0.000 0.000 0.229 97 S C 1.939 176.610 174.600 0.119 0.000 1.021 97 S CA 0.864 59.118 58.200 0.091 0.000 0.974 97 S CB -0.658 62.587 63.200 0.075 0.000 0.800 97 S HN 0.491 nan 8.310 nan 0.000 0.484 98 F N 2.259 122.212 119.950 0.005 0.000 2.186 98 F HA 0.143 4.670 4.527 -0.000 0.000 0.299 98 F C 1.816 177.621 175.800 0.007 0.000 1.090 98 F CA 1.074 59.072 58.000 -0.004 0.000 1.307 98 F CB -0.311 38.677 39.000 -0.021 0.000 1.019 98 F HN 0.165 nan 8.300 nan 0.000 0.489 99 I N 0.192 120.745 120.570 -0.027 0.000 2.353 99 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 99 I C 2.155 178.205 176.117 -0.111 0.000 1.119 99 I CA 0.862 62.096 61.300 -0.111 0.000 1.417 99 I CB -1.269 36.809 38.000 0.130 0.000 1.078 99 I HN 0.461 nan 8.210 nan 0.000 0.421 100 G N 1.353 110.127 108.800 -0.044 0.000 2.622 100 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.307 100 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.307 100 G C 0.519 175.410 174.900 -0.015 0.000 1.226 100 G CA 0.841 45.922 45.100 -0.033 0.000 0.997 100 G HN 0.387 nan 8.290 nan 0.000 0.551 101 N N 2.036 120.722 118.700 -0.024 0.000 2.320 101 N HA 0.247 4.987 4.740 -0.000 0.000 0.237 101 N C -0.355 175.149 175.510 -0.008 0.000 1.129 101 N CA 0.329 53.374 53.050 -0.009 0.000 0.854 101 N CB 0.009 38.490 38.487 -0.009 0.000 1.083 101 N HN 0.436 nan 8.380 nan 0.000 0.504 102 D N -0.278 120.110 120.400 -0.021 0.000 2.387 102 D HA 0.234 4.874 4.640 -0.000 0.000 0.255 102 D C 0.468 176.786 176.300 0.030 0.000 1.081 102 D CA -0.404 53.587 54.000 -0.015 0.000 0.994 102 D CB 1.393 42.156 40.800 -0.062 0.000 1.127 102 D HN 0.038 nan 8.370 nan 0.000 0.513 103 L N 0.498 121.748 121.223 0.044 0.000 2.452 103 L HA 0.232 4.572 4.340 -0.000 0.000 0.267 103 L C 0.905 177.839 176.870 0.107 0.000 1.188 103 L CA 0.130 55.023 54.840 0.088 0.000 0.821 103 L CB 0.471 42.583 42.059 0.088 0.000 1.102 103 L HN 0.435 nan 8.230 nan 0.000 0.470 104 S N 0.551 116.352 115.700 0.168 0.000 2.651 104 S HA 0.920 5.390 4.470 -0.000 0.000 0.279 104 S C -1.013 173.667 174.600 0.134 0.000 1.148 104 S CA -0.653 57.664 58.200 0.195 0.000 0.837 104 S CB 2.235 65.633 63.200 0.330 0.000 1.138 104 S HN 0.813 nan 8.310 nan 0.000 0.478 105 A N 0.508 123.359 122.820 0.051 0.000 2.427 105 A HA 0.768 5.087 4.320 -0.000 0.000 0.298 105 A C -1.523 176.058 177.584 -0.005 0.000 1.036 105 A CA -0.608 51.293 52.037 -0.227 0.000 0.701 105 A CB 1.432 20.028 19.000 -0.674 0.000 1.250 105 A HN 1.284 nan 8.150 nan 0.000 0.412 106 L N 2.850 124.133 121.223 0.099 0.000 2.341 106 L HA 0.868 5.208 4.340 -0.000 0.000 0.278 106 L C -1.103 175.874 176.870 0.178 0.000 1.005 106 L CA -0.570 54.381 54.840 0.186 0.000 0.818 106 L CB 1.787 44.061 42.059 0.359 0.000 1.259 106 L HN 0.735 nan 8.230 nan 0.000 0.418 107 V N 5.901 125.890 119.914 0.124 0.000 2.823 107 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 107 V C -0.595 175.608 176.094 0.182 0.000 1.072 107 V CA -0.765 61.631 62.300 0.160 0.000 0.937 107 V CB 2.242 34.138 31.823 0.122 0.000 1.013 107 V HN 0.746 nan 8.190 nan 0.000 0.430 108 L N 5.203 126.567 121.223 0.236 0.000 2.349 108 L HA 0.403 4.742 4.340 -0.000 0.000 0.275 108 L C 1.760 178.725 176.870 0.159 0.000 1.115 108 L CA 0.385 55.347 54.840 0.204 0.000 0.820 108 L CB 1.224 43.439 42.059 0.260 0.000 1.135 108 L HN 0.848 nan 8.230 nan 0.000 0.445 109 G N 1.071 109.932 108.800 0.101 0.000 2.470 109 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 109 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 109 G C 0.753 175.719 174.900 0.110 0.000 1.121 109 G CA 0.651 45.800 45.100 0.083 0.000 0.766 109 G HN 0.856 nan 8.290 nan 0.000 0.553 110 D N -0.808 119.649 120.400 0.095 0.000 2.424 110 D HA 0.042 4.682 4.640 -0.000 0.000 0.220 110 D C 0.046 176.350 176.300 0.007 0.000 1.150 110 D CA -0.538 53.494 54.000 0.053 0.000 0.831 110 D CB -0.703 40.116 40.800 0.031 0.000 0.981 110 D HN 0.142 nan 8.370 nan 0.000 0.500 111 N N 0.710 119.447 118.700 0.061 0.000 2.421 111 N HA 0.373 5.113 4.740 -0.000 0.000 0.285 111 N C -1.166 174.302 175.510 -0.071 0.000 1.027 111 N CA -0.547 52.499 53.050 -0.006 0.000 0.918 111 N CB 2.118 40.725 38.487 0.200 0.000 1.152 111 N HN 0.123 nan 8.380 nan 0.000 0.485 112 L N 3.683 124.731 121.223 -0.293 0.000 2.356 112 L HA 0.472 4.812 4.340 -0.000 0.000 0.277 112 L C -1.519 175.131 176.870 -0.367 0.000 0.996 112 L CA -0.694 54.026 54.840 -0.200 0.000 0.822 112 L CB 0.800 42.679 42.059 -0.301 0.000 1.256 112 L HN 0.509 nan 8.230 nan 0.000 0.413 113 Y N 3.970 124.280 120.300 0.016 0.000 2.487 113 Y HA 0.572 5.122 4.550 -0.000 0.000 0.337 113 Y C -0.883 174.932 175.900 -0.142 0.000 1.076 113 Y CA -0.485 57.503 58.100 -0.186 0.000 1.115 113 Y CB 1.930 40.036 38.460 -0.590 0.000 1.235 113 Y HN 0.495 nan 8.280 nan 0.000 0.468 114 Y N 0.297 120.531 120.300 -0.110 0.000 2.480 114 Y HA 0.736 5.286 4.550 -0.000 0.000 0.329 114 Y C -0.766 175.230 175.900 0.159 0.000 1.127 114 Y CA -0.755 57.359 58.100 0.024 0.000 1.037 114 Y CB 1.940 40.519 38.460 0.197 0.000 1.320 114 Y HN 0.803 nan 8.280 nan 0.000 0.446 115 G N 2.703 111.104 108.800 -0.666 0.000 2.340 115 G HA2 0.247 4.207 3.960 -0.000 0.000 0.298 115 G HA3 0.247 4.207 3.960 -0.000 0.000 0.298 115 G C -2.270 172.501 174.900 -0.216 0.000 1.498 115 G CA -1.126 43.658 45.100 -0.527 0.000 0.847 115 G HN 1.043 nan 8.290 nan 0.000 0.594 116 H N 0.435 119.320 119.070 -0.309 0.000 2.886 116 H HA 0.407 4.963 4.556 -0.000 0.000 0.329 116 H C 0.652 175.991 175.328 0.019 0.000 1.044 116 H CA 1.776 57.753 56.048 -0.119 0.000 1.456 116 H CB 0.650 30.334 29.762 -0.130 0.000 1.464 116 H HN 0.586 nan 8.280 nan 0.000 0.573 117 D N 3.029 123.137 120.400 -0.486 0.000 3.012 117 D HA -0.267 4.373 4.640 -0.000 0.000 0.222 117 D C 0.742 177.125 176.300 0.139 0.000 1.167 117 D CA 0.955 54.806 54.000 -0.250 0.000 0.854 117 D CB -1.739 38.837 40.800 -0.373 0.000 1.107 117 D HN 0.505 nan 8.370 nan 0.000 0.421 118 F N 0.810 120.820 119.950 0.100 0.000 2.161 118 F HA -0.193 4.333 4.527 -0.000 0.000 0.300 118 F C 2.303 178.125 175.800 0.036 0.000 1.089 118 F CA 2.399 60.449 58.000 0.083 0.000 1.282 118 F CB -0.466 38.580 39.000 0.076 0.000 1.010 118 F HN 0.352 nan 8.300 nan 0.000 0.485 119 H N -0.313 118.703 119.070 -0.090 0.000 2.387 119 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 119 H C 1.828 177.047 175.328 -0.182 0.000 1.090 119 H CA 2.351 58.283 56.048 -0.194 0.000 1.332 119 H CB -0.345 29.360 29.762 -0.095 0.000 1.386 119 H HN 0.265 nan 8.280 nan 0.000 0.516 120 E N -0.006 120.048 120.200 -0.243 0.000 2.107 120 E HA -0.019 4.330 4.350 -0.000 0.000 0.191 120 E C 2.155 178.651 176.600 -0.174 0.000 0.982 120 E CA 0.802 57.026 56.400 -0.294 0.000 0.809 120 E CB -0.315 29.245 29.700 -0.233 0.000 0.756 120 E HN 0.403 nan 8.360 nan 0.000 0.459 121 L N 0.435 121.588 121.223 -0.116 0.000 1.994 121 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 121 L C 1.849 178.598 176.870 -0.201 0.000 1.071 121 L CA 1.667 56.444 54.840 -0.105 0.000 0.745 121 L CB -0.521 41.480 42.059 -0.097 0.000 0.892 121 L HN 0.154 nan 8.230 nan 0.000 0.431 122 L N -0.763 120.236 121.223 -0.374 0.000 2.042 122 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 122 L C 2.564 179.259 176.870 -0.292 0.000 1.076 122 L CA 1.340 55.952 54.840 -0.380 0.000 0.749 122 L CB -1.543 40.239 42.059 -0.462 0.000 0.893 122 L HN 0.463 nan 8.230 nan 0.000 0.432 123 G N -0.734 107.943 108.800 -0.205 0.000 2.440 123 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.218 123 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.218 123 G C 1.718 176.506 174.900 -0.187 0.000 1.154 123 G CA 1.024 46.030 45.100 -0.157 0.000 0.767 123 G HN 0.360 nan 8.290 nan 0.000 0.552 124 S N 1.178 116.764 115.700 -0.189 0.000 2.351 124 S HA -0.108 4.361 4.470 -0.000 0.000 0.220 124 S C 2.837 177.291 174.600 -0.243 0.000 1.035 124 S CA 1.519 59.617 58.200 -0.170 0.000 1.031 124 S CB -0.636 62.490 63.200 -0.124 0.000 0.928 124 S HN 0.624 nan 8.310 nan 0.000 0.433 125 A N 1.800 124.398 122.820 -0.370 0.000 1.908 125 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 125 A C 2.389 179.614 177.584 -0.599 0.000 1.181 125 A CA 2.263 53.947 52.037 -0.590 0.000 0.627 125 A CB -1.143 17.275 19.000 -0.970 0.000 0.818 125 A HN 0.656 nan 8.150 nan 0.000 0.445 126 S N -0.667 114.680 115.700 -0.589 0.000 2.419 126 S HA -0.229 4.241 4.470 -0.000 0.000 0.233 126 S C 1.741 176.300 174.600 -0.068 0.000 1.016 126 S CA 1.532 59.621 58.200 -0.184 0.000 0.974 126 S CB -0.449 62.763 63.200 0.021 0.000 0.786 126 S HN 0.683 nan 8.310 nan 0.000 0.492 127 Q N 0.850 120.584 119.800 -0.110 0.000 2.451 127 Q HA 0.114 4.454 4.340 -0.000 0.000 0.206 127 Q C 0.780 176.745 176.000 -0.059 0.000 0.947 127 Q CA 0.110 55.876 55.803 -0.061 0.000 0.937 127 Q CB 0.054 28.753 28.738 -0.065 0.000 1.025 127 Q HN 0.727 nan 8.270 nan 0.000 0.511 128 R N 0.661 121.108 120.500 -0.087 0.000 2.248 128 R HA 0.080 4.419 4.340 -0.000 0.000 0.337 128 R C 0.182 176.466 176.300 -0.026 0.000 1.085 128 R CA 0.054 56.114 56.100 -0.066 0.000 0.934 128 R CB 0.489 30.732 30.300 -0.095 0.000 1.034 128 R HN 0.092 nan 8.270 nan 0.000 0.465 129 Q N 1.547 121.343 119.800 -0.005 0.000 2.435 129 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 129 Q C -0.046 175.973 176.000 0.031 0.000 0.956 129 Q CA 1.140 56.954 55.803 0.019 0.000 0.917 129 Q CB 0.620 29.368 28.738 0.017 0.000 0.997 129 Q HN 0.796 nan 8.270 nan 0.000 0.497 130 T N -2.277 112.291 114.554 0.023 0.000 2.797 130 T HA 0.687 5.036 4.350 -0.000 0.000 0.279 130 T C 0.476 175.210 174.700 0.056 0.000 0.991 130 T CA -0.250 61.878 62.100 0.047 0.000 0.979 130 T CB 1.947 70.838 68.868 0.038 0.000 0.943 130 T HN 0.363 nan 8.240 nan 0.000 0.444 131 G N 1.720 110.599 108.800 0.133 0.000 2.527 131 G HA2 0.372 4.331 3.960 -0.000 0.000 0.227 131 G HA3 0.372 4.331 3.960 -0.000 0.000 0.227 131 G C -0.265 174.560 174.900 -0.126 0.000 1.291 131 G CA -0.166 45.039 45.100 0.176 0.000 0.904 131 G HN 1.824 nan 8.290 nan 0.000 0.577 132 A N -1.168 121.410 122.820 -0.402 0.000 2.423 132 A HA 0.949 5.269 4.320 -0.000 0.000 0.304 132 A C -0.085 177.298 177.584 -0.335 0.000 1.104 132 A CA 0.671 52.371 52.037 -0.561 0.000 0.757 132 A CB 1.834 20.195 19.000 -1.065 0.000 1.313 132 A HN 1.948 nan 8.150 nan 0.000 0.423 133 S N -0.374 115.128 115.700 -0.329 0.000 2.538 133 S HA 0.738 5.208 4.470 -0.000 0.000 0.288 133 S C -0.415 173.952 174.600 -0.388 0.000 1.108 133 S CA -0.300 57.684 58.200 -0.360 0.000 0.971 133 S CB 1.514 64.450 63.200 -0.440 0.000 1.041 133 S HN 1.806 nan 8.310 nan 0.000 0.483 134 V N -0.488 119.129 119.914 -0.495 0.000 3.160 134 V HA 0.850 4.970 4.120 -0.000 0.000 0.310 134 V C -1.839 173.796 176.094 -0.764 0.000 1.181 134 V CA -1.125 60.894 62.300 -0.468 0.000 1.047 134 V CB 1.427 33.191 31.823 -0.099 0.000 1.068 134 V HN 0.688 nan 8.190 nan 0.000 0.441 135 F N 0.753 120.631 119.950 -0.120 0.000 2.520 135 F HA 0.891 5.418 4.527 -0.000 0.000 0.322 135 F C 0.522 176.289 175.800 -0.056 0.000 1.103 135 F CA -0.389 57.552 58.000 -0.099 0.000 0.926 135 F CB 2.102 41.001 39.000 -0.169 0.000 1.154 135 F HN 0.878 nan 8.300 nan 0.000 0.453 136 A N 3.056 126.009 122.820 0.222 0.000 2.271 136 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 136 A C -1.975 175.889 177.584 0.466 0.000 1.245 136 A CA -0.524 51.708 52.037 0.325 0.000 0.857 136 A CB 0.274 19.517 19.000 0.406 0.000 1.175 136 A HN 0.745 nan 8.150 nan 0.000 0.512 137 Y N 2.828 123.300 120.300 0.287 0.000 2.361 137 Y HA 0.319 4.869 4.550 -0.000 0.000 0.337 137 Y C 0.139 176.139 175.900 0.166 0.000 0.965 137 Y CA -0.595 57.672 58.100 0.278 0.000 1.091 137 Y CB 1.097 39.645 38.460 0.146 0.000 1.182 137 Y HN 0.796 nan 8.280 nan 0.000 0.450 138 H N 5.853 124.694 119.070 -0.382 0.000 3.004 138 H HA 0.398 4.953 4.556 -0.000 0.000 0.316 138 H C -0.799 174.315 175.328 -0.356 0.000 1.014 138 H CA 0.850 56.486 56.048 -0.688 0.000 1.454 138 H CB 0.356 29.696 29.762 -0.703 0.000 1.472 138 H HN 0.612 nan 8.280 nan 0.000 0.571 139 V N 3.433 123.180 119.914 -0.279 0.000 3.102 139 V HA 0.196 4.316 4.120 -0.000 0.000 0.312 139 V C 0.825 176.874 176.094 -0.074 0.000 1.135 139 V CA -0.995 61.288 62.300 -0.029 0.000 1.022 139 V CB 1.754 33.625 31.823 0.081 0.000 1.056 139 V HN 0.604 nan 8.190 nan 0.000 0.436 140 L N 0.480 121.721 121.223 0.030 0.000 2.072 140 L HA 0.298 4.638 4.340 -0.000 0.000 0.205 140 L C 0.929 177.820 176.870 0.035 0.000 1.079 140 L CA 1.920 56.779 54.840 0.031 0.000 0.752 140 L CB -0.325 41.761 42.059 0.045 0.000 0.906 140 L HN 0.870 nan 8.230 nan 0.000 0.436 141 D N 0.336 120.788 120.400 0.087 0.000 2.517 141 D HA 0.227 4.867 4.640 -0.000 0.000 0.301 141 D C -1.792 174.619 176.300 0.186 0.000 1.202 141 D CA -1.257 52.803 54.000 0.100 0.000 0.910 141 D CB 0.842 41.693 40.800 0.085 0.000 1.021 141 D HN 0.230 nan 8.370 nan 0.000 0.499 142 P HA -0.173 nan 4.420 nan 0.000 0.221 142 P C 1.311 178.738 177.300 0.213 0.000 1.145 142 P CA 0.895 64.127 63.100 0.220 0.000 0.795 142 P CB 0.398 32.151 31.700 0.087 0.000 0.775 143 E N 1.316 121.580 120.200 0.106 0.000 2.333 143 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 143 E C 1.538 178.127 176.600 -0.017 0.000 1.007 143 E CA 0.926 57.353 56.400 0.045 0.000 0.845 143 E CB -0.733 28.980 29.700 0.022 0.000 0.766 143 E HN 0.331 nan 8.360 nan 0.000 0.507 144 R N -0.678 119.762 120.500 -0.100 0.000 2.299 144 R HA 0.143 4.483 4.340 -0.000 0.000 0.197 144 R C 0.128 176.055 176.300 -0.622 0.000 0.971 144 R CA 0.429 56.274 56.100 -0.425 0.000 1.030 144 R CB 0.062 29.943 30.300 -0.699 0.000 0.932 144 R HN 0.184 nan 8.270 nan 0.000 0.477 145 Y N -1.265 119.101 120.300 0.109 0.000 2.698 145 Y HA 0.456 5.006 4.550 -0.000 0.000 0.332 145 Y C 0.916 176.897 175.900 0.134 0.000 1.119 145 Y CA -1.521 56.673 58.100 0.156 0.000 1.109 145 Y CB 0.729 39.327 38.460 0.231 0.000 1.308 145 Y HN -0.129 nan 8.280 nan 0.000 0.499 146 G N 0.710 109.722 108.800 0.353 0.000 2.313 146 G HA2 0.412 4.372 3.960 -0.000 0.000 0.250 146 G HA3 0.412 4.372 3.960 -0.000 0.000 0.250 146 G C -1.104 173.927 174.900 0.219 0.000 1.281 146 G CA -0.127 45.116 45.100 0.238 0.000 0.917 146 G HN 0.328 nan 8.290 nan 0.000 0.501 147 V N 3.100 123.105 119.914 0.152 0.000 2.555 147 V HA 0.466 4.586 4.120 -0.000 0.000 0.302 147 V C -0.013 176.116 176.094 0.058 0.000 1.038 147 V CA -0.882 61.495 62.300 0.129 0.000 0.887 147 V CB 1.694 33.587 31.823 0.116 0.000 0.991 147 V HN 0.566 nan 8.190 nan 0.000 0.434 148 V N 4.724 124.658 119.914 0.033 0.000 2.417 148 V HA 0.561 4.680 4.120 -0.000 0.000 0.291 148 V C -0.204 175.715 176.094 -0.292 0.000 1.024 148 V CA -0.181 62.026 62.300 -0.156 0.000 0.861 148 V CB 1.597 33.280 31.823 -0.233 0.000 0.985 148 V HN 1.045 nan 8.190 nan 0.000 0.436 149 E N 5.360 125.352 120.200 -0.346 0.000 2.191 149 E HA 0.558 4.908 4.350 -0.000 0.000 0.274 149 E C -1.702 174.625 176.600 -0.455 0.000 0.948 149 E CA -0.553 55.699 56.400 -0.246 0.000 0.802 149 E CB 1.538 31.190 29.700 -0.080 0.000 1.137 149 E HN 0.614 nan 8.360 nan 0.000 0.397 150 F N 1.732 121.691 119.950 0.016 0.000 2.577 150 F HA 0.239 4.766 4.527 -0.000 0.000 0.318 150 F C 0.254 176.054 175.800 0.001 0.000 1.065 150 F CA -0.924 57.067 58.000 -0.014 0.000 0.929 150 F CB 1.355 40.318 39.000 -0.062 0.000 1.237 150 F HN 0.480 nan 8.300 nan 0.000 0.468 151 D N -0.059 120.451 120.400 0.184 0.000 2.451 151 D HA 0.127 4.766 4.640 -0.000 0.000 0.259 151 D C 0.572 176.928 176.300 0.094 0.000 1.201 151 D CA -0.392 53.672 54.000 0.107 0.000 1.028 151 D CB 0.457 41.297 40.800 0.066 0.000 1.095 151 D HN 0.624 nan 8.370 nan 0.000 0.539 152 Q N -0.778 119.058 119.800 0.061 0.000 2.234 152 Q HA -0.026 4.314 4.340 -0.000 0.000 0.206 152 Q C 1.665 177.682 176.000 0.027 0.000 0.980 152 Q CA 1.470 57.298 55.803 0.043 0.000 0.869 152 Q CB -0.233 28.524 28.738 0.032 0.000 0.912 152 Q HN 0.736 nan 8.270 nan 0.000 0.436 153 G N -1.355 107.463 108.800 0.030 0.000 3.141 153 G HA2 0.275 4.234 3.960 -0.000 0.000 0.218 153 G HA3 0.275 4.234 3.960 -0.000 0.000 0.218 153 G C 0.767 175.669 174.900 0.002 0.000 1.170 153 G CA 0.226 45.334 45.100 0.013 0.000 0.769 153 G HN 0.432 nan 8.290 nan 0.000 0.546 154 G N 0.027 108.834 108.800 0.011 0.000 2.157 154 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 154 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 154 G C 0.329 175.279 174.900 0.083 0.000 0.979 154 G CA 0.213 45.285 45.100 -0.046 0.000 0.650 154 G HN 0.613 nan 8.290 nan 0.000 0.529 155 K N 0.549 121.039 120.400 0.150 0.000 2.143 155 K HA 0.707 5.027 4.320 -0.000 0.000 0.272 155 K C 0.605 177.344 176.600 0.231 0.000 1.001 155 K CA -0.057 56.330 56.287 0.167 0.000 0.915 155 K CB 1.703 34.248 32.500 0.075 0.000 1.047 155 K HN 0.521 nan 8.250 nan 0.000 0.458 156 A N 2.726 125.636 122.820 0.150 0.000 2.477 156 A HA 0.226 4.546 4.320 -0.000 0.000 0.246 156 A C 0.808 178.330 177.584 -0.103 0.000 1.078 156 A CA -0.218 51.734 52.037 -0.141 0.000 0.770 156 A CB -0.533 18.368 19.000 -0.166 0.000 1.011 156 A HN 0.966 nan 8.150 nan 0.000 0.494 157 I N -0.242 120.238 120.570 -0.150 0.000 4.730 157 I HA 0.312 4.482 4.170 -0.000 0.000 0.332 157 I C 0.374 176.451 176.117 -0.066 0.000 1.299 157 I CA 0.425 61.684 61.300 -0.069 0.000 1.294 157 I CB 0.216 38.199 38.000 -0.029 0.000 1.317 157 I HN 0.572 nan 8.210 nan 0.000 0.457 158 S N 0.926 116.564 115.700 -0.103 0.000 2.565 158 S HA 0.758 5.227 4.470 -0.000 0.000 0.269 158 S C -1.326 173.229 174.600 -0.075 0.000 1.153 158 S CA -0.730 57.431 58.200 -0.066 0.000 0.835 158 S CB 2.049 65.226 63.200 -0.038 0.000 1.122 158 S HN 0.224 nan 8.310 nan 0.000 0.462 159 L N 1.217 122.422 121.223 -0.030 0.000 2.370 159 L HA 0.774 5.114 4.340 -0.000 0.000 0.266 159 L C -0.869 176.012 176.870 0.017 0.000 1.002 159 L CA -0.658 54.179 54.840 -0.005 0.000 0.818 159 L CB 2.109 44.179 42.059 0.019 0.000 1.325 159 L HN 0.672 nan 8.230 nan 0.000 0.418 160 E N 1.632 121.854 120.200 0.036 0.000 2.278 160 E HA 0.227 4.576 4.350 -0.000 0.000 0.272 160 E C -1.419 175.220 176.600 0.065 0.000 0.890 160 E CA -0.707 55.718 56.400 0.042 0.000 0.770 160 E CB 2.746 32.467 29.700 0.035 0.000 1.212 160 E HN 0.419 nan 8.360 nan 0.000 0.415 161 E N 2.515 122.751 120.200 0.061 0.000 2.180 161 E HA 0.120 4.470 4.350 -0.000 0.000 0.283 161 E C -0.714 175.920 176.600 0.057 0.000 1.061 161 E CA -0.061 56.383 56.400 0.074 0.000 0.861 161 E CB 0.208 29.946 29.700 0.065 0.000 1.056 161 E HN 0.368 nan 8.360 nan 0.000 0.407 162 K N 3.648 124.086 120.400 0.062 0.000 3.278 162 K HA -0.142 4.178 4.320 -0.000 0.000 0.270 162 K C -2.214 174.403 176.600 0.029 0.000 0.955 162 K CA 0.621 56.927 56.287 0.032 0.000 0.723 162 K CB -1.367 31.135 32.500 0.003 0.000 1.382 162 K HN 0.565 nan 8.250 nan 0.000 0.461 163 P HA -0.018 nan 4.420 nan 0.000 0.271 163 P C 0.796 178.112 177.300 0.026 0.000 1.216 163 P CA -0.115 63.005 63.100 0.033 0.000 0.776 163 P CB 0.938 32.662 31.700 0.040 0.000 0.881 164 L N 2.019 123.254 121.223 0.020 0.000 2.046 164 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 164 L C 1.158 178.040 176.870 0.020 0.000 1.077 164 L CA 1.750 56.600 54.840 0.016 0.000 0.747 164 L CB -0.267 41.800 42.059 0.013 0.000 0.896 164 L HN 0.464 nan 8.230 nan 0.000 0.432 165 E N -0.079 120.134 120.200 0.023 0.000 2.256 165 E HA 0.256 4.606 4.350 -0.000 0.000 0.243 165 E C -2.302 174.317 176.600 0.032 0.000 0.925 165 E CA -1.969 54.447 56.400 0.025 0.000 0.748 165 E CB 0.768 30.482 29.700 0.023 0.000 1.206 165 E HN 0.056 nan 8.360 nan 0.000 0.428 166 P HA 0.052 nan 4.420 nan 0.000 0.271 166 P C 0.054 177.383 177.300 0.047 0.000 1.218 166 P CA -0.220 62.907 63.100 0.046 0.000 0.780 166 P CB 0.963 32.694 31.700 0.051 0.000 0.901 167 K N 0.071 120.502 120.400 0.052 0.000 2.374 167 K HA 0.153 4.473 4.320 -0.000 0.000 0.196 167 K C 0.647 177.299 176.600 0.086 0.000 1.023 167 K CA 0.236 56.557 56.287 0.057 0.000 1.103 167 K CB 0.255 32.781 32.500 0.043 0.000 0.848 167 K HN 0.636 nan 8.250 nan 0.000 0.528 168 S N -1.319 114.439 115.700 0.097 0.000 2.672 168 S HA 0.270 4.739 4.470 -0.000 0.000 0.271 168 S C -0.629 174.010 174.600 0.065 0.000 1.171 168 S CA -0.999 57.286 58.200 0.141 0.000 0.817 168 S CB 0.770 64.138 63.200 0.280 0.000 1.150 168 S HN -0.077 nan 8.310 nan 0.000 0.478 169 N N 0.014 118.697 118.700 -0.029 0.000 2.276 169 N HA 0.255 4.995 4.740 -0.000 0.000 0.212 169 N C -1.516 173.721 175.510 -0.455 0.000 1.127 169 N CA 0.192 53.056 53.050 -0.310 0.000 0.834 169 N CB -0.161 37.913 38.487 -0.688 0.000 1.014 169 N HN 0.524 nan 8.380 nan 0.000 0.491 170 Y N 0.703 121.017 120.300 0.024 0.000 2.342 170 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 170 Y C 0.446 176.416 175.900 0.118 0.000 0.965 170 Y CA -0.932 57.239 58.100 0.117 0.000 1.159 170 Y CB 1.100 39.758 38.460 0.329 0.000 1.157 170 Y HN -0.067 nan 8.280 nan 0.000 0.486 171 A N 3.093 126.028 122.820 0.191 0.000 2.316 171 A HA 0.625 4.945 4.320 -0.000 0.000 0.284 171 A C -0.658 176.985 177.584 0.099 0.000 1.115 171 A CA -0.630 51.503 52.037 0.161 0.000 0.812 171 A CB 0.464 19.502 19.000 0.063 0.000 1.064 171 A HN 0.532 nan 8.150 nan 0.000 0.489 172 V N 2.855 122.827 119.914 0.095 0.000 2.432 172 V HA 0.311 4.431 4.120 -0.000 0.000 0.271 172 V C 1.198 177.210 176.094 -0.137 0.000 1.046 172 V CA 0.155 62.474 62.300 0.031 0.000 0.945 172 V CB 0.667 32.579 31.823 0.148 0.000 0.992 172 V HN 1.123 nan 8.190 nan 0.000 0.471 173 T N 2.157 116.443 114.554 -0.447 0.000 2.766 173 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 173 T C 1.007 175.471 174.700 -0.392 0.000 1.024 173 T CA 0.082 61.675 62.100 -0.844 0.000 1.018 173 T CB 1.132 69.229 68.868 -1.285 0.000 1.002 173 T HN 0.846 nan 8.240 nan 0.000 0.532 174 G N 0.778 109.526 108.800 -0.088 0.000 3.581 174 G HA2 0.458 4.418 3.960 -0.000 0.000 0.255 174 G HA3 0.458 4.418 3.960 -0.000 0.000 0.255 174 G C -0.613 174.196 174.900 -0.153 0.000 1.121 174 G CA -0.351 44.750 45.100 0.001 0.000 1.739 174 G HN 0.697 nan 8.290 nan 0.000 0.646 175 L N 0.590 121.422 121.223 -0.651 0.000 2.516 175 L HA 0.669 5.009 4.340 -0.000 0.000 0.267 175 L C -1.935 174.644 176.870 -0.485 0.000 0.957 175 L CA -1.476 53.146 54.840 -0.363 0.000 0.860 175 L CB 1.259 43.165 42.059 -0.254 0.000 1.265 175 L HN 0.187 nan 8.230 nan 0.000 0.403 176 Y N 4.518 124.814 120.300 -0.007 0.000 2.433 176 Y HA 0.636 5.185 4.550 -0.000 0.000 0.337 176 Y C -1.000 174.617 175.900 -0.472 0.000 1.026 176 Y CA -0.777 57.210 58.100 -0.187 0.000 1.037 176 Y CB 1.814 40.163 38.460 -0.185 0.000 1.245 176 Y HN 0.361 nan 8.280 nan 0.000 0.443 177 F N 2.708 122.405 119.950 -0.421 0.000 2.458 177 F HA 0.622 5.149 4.527 -0.000 0.000 0.336 177 F C -0.751 174.685 175.800 -0.607 0.000 1.114 177 F CA -1.206 56.590 58.000 -0.341 0.000 0.987 177 F CB 1.082 39.960 39.000 -0.204 0.000 1.130 177 F HN 0.368 nan 8.300 nan 0.000 0.458 178 Y N 1.114 121.456 120.300 0.070 0.000 2.512 178 Y HA 0.323 4.873 4.550 -0.000 0.000 0.348 178 Y C -0.094 175.820 175.900 0.024 0.000 0.990 178 Y CA -1.413 56.654 58.100 -0.055 0.000 1.033 178 Y CB 1.582 39.976 38.460 -0.111 0.000 1.259 178 Y HN 0.588 nan 8.280 nan 0.000 0.461 179 D N 0.045 120.582 120.400 0.228 0.000 2.453 179 D HA 0.081 4.721 4.640 -0.000 0.000 0.282 179 D C 0.422 176.821 176.300 0.164 0.000 1.222 179 D CA -0.234 53.873 54.000 0.178 0.000 1.079 179 D CB 0.348 41.246 40.800 0.163 0.000 1.128 179 D HN 0.512 nan 8.370 nan 0.000 0.568 180 Q N -1.252 118.613 119.800 0.109 0.000 2.436 180 Q HA -0.006 4.334 4.340 -0.000 0.000 0.209 180 Q C 1.908 177.925 176.000 0.029 0.000 0.965 180 Q CA 0.968 56.808 55.803 0.062 0.000 0.910 180 Q CB -0.212 28.549 28.738 0.038 0.000 0.980 180 Q HN 0.472 nan 8.270 nan 0.000 0.491 181 Q N -0.506 119.319 119.800 0.042 0.000 2.369 181 Q HA -0.063 4.276 4.340 -0.000 0.000 0.206 181 Q C 1.936 177.856 176.000 -0.133 0.000 0.963 181 Q CA 0.769 56.536 55.803 -0.060 0.000 0.894 181 Q CB -0.017 28.635 28.738 -0.144 0.000 0.965 181 Q HN 0.269 nan 8.270 nan 0.000 0.475 182 V N 0.042 119.886 119.914 -0.118 0.000 2.343 182 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 182 V C 2.033 177.916 176.094 -0.353 0.000 1.051 182 V CA 1.380 63.454 62.300 -0.376 0.000 1.036 182 V CB -0.105 31.188 31.823 -0.883 0.000 0.654 182 V HN 0.193 nan 8.190 nan 0.000 0.451 183 V N 0.523 120.334 119.914 -0.172 0.000 2.287 183 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 183 V C 2.337 178.393 176.094 -0.064 0.000 1.053 183 V CA 2.564 64.836 62.300 -0.046 0.000 1.027 183 V CB -0.761 31.081 31.823 0.031 0.000 0.646 183 V HN 0.609 nan 8.190 nan 0.000 0.447 184 D N -0.489 119.861 120.400 -0.082 0.000 2.183 184 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 184 D C 2.064 178.303 176.300 -0.100 0.000 0.969 184 D CA 0.951 54.906 54.000 -0.075 0.000 0.842 184 D CB -0.083 40.675 40.800 -0.070 0.000 0.957 184 D HN 0.398 nan 8.370 nan 0.000 0.484 185 I N 1.195 121.671 120.570 -0.157 0.000 2.179 185 I HA -0.252 3.917 4.170 -0.000 0.000 0.242 185 I C 2.441 178.480 176.117 -0.131 0.000 1.088 185 I CA 1.093 62.287 61.300 -0.176 0.000 1.357 185 I CB -0.175 37.663 38.000 -0.270 0.000 1.051 185 I HN -0.076 nan 8.210 nan 0.000 0.409 186 A N 0.573 123.311 122.820 -0.137 0.000 1.972 186 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 186 A C 2.346 179.913 177.584 -0.029 0.000 1.169 186 A CA 1.398 53.394 52.037 -0.068 0.000 0.635 186 A CB -0.560 18.436 19.000 -0.008 0.000 0.810 186 A HN 0.316 nan 8.150 nan 0.000 0.446 187 R N -0.347 120.135 120.500 -0.030 0.000 2.120 187 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 187 R C 0.835 177.122 176.300 -0.021 0.000 1.123 187 R CA 1.401 57.492 56.100 -0.015 0.000 0.975 187 R CB -0.222 30.070 30.300 -0.015 0.000 0.866 187 R HN 0.407 nan 8.270 nan 0.000 0.446 188 D N 0.211 120.589 120.400 -0.037 0.000 2.363 188 D HA 0.024 4.664 4.640 -0.000 0.000 0.226 188 D C 0.292 176.574 176.300 -0.030 0.000 1.020 188 D CA 0.459 54.438 54.000 -0.035 0.000 0.892 188 D CB 0.116 40.888 40.800 -0.048 0.000 0.900 188 D HN 0.135 nan 8.370 nan 0.000 0.531 189 L N 0.808 122.014 121.223 -0.028 0.000 2.439 189 L HA 0.172 4.512 4.340 -0.000 0.000 0.269 189 L C 0.833 177.697 176.870 -0.011 0.000 1.179 189 L CA 0.128 54.956 54.840 -0.020 0.000 0.828 189 L CB 0.745 42.794 42.059 -0.016 0.000 1.106 189 L HN -0.319 nan 8.230 nan 0.000 0.467 190 K N 2.460 122.855 120.400 -0.008 0.000 2.208 190 K HA 0.503 4.823 4.320 -0.000 0.000 0.247 190 K C -2.431 174.169 176.600 0.000 0.000 0.953 190 K CA -1.824 54.461 56.287 -0.004 0.000 0.837 190 K CB 1.414 33.911 32.500 -0.005 0.000 1.131 190 K HN 0.256 nan 8.250 nan 0.000 0.431 191 P HA -0.002 nan 4.420 nan 0.000 0.272 191 P C -0.493 176.810 177.300 0.006 0.000 1.223 191 P CA -0.350 62.753 63.100 0.006 0.000 0.784 191 P CB 0.737 32.441 31.700 0.007 0.000 0.923 192 S N 2.028 117.733 115.700 0.008 0.000 2.645 192 S HA 0.292 4.762 4.470 -0.000 0.000 0.266 192 S C -1.679 172.925 174.600 0.008 0.000 1.258 192 S CA -0.943 57.263 58.200 0.009 0.000 0.990 192 S CB -0.291 62.917 63.200 0.013 0.000 0.967 192 S HN 0.265 nan 8.310 nan 0.000 0.556 193 P HA 0.033 nan 4.420 nan 0.000 0.236 193 P C 0.611 177.915 177.300 0.007 0.000 1.172 193 P CA 0.767 63.871 63.100 0.007 0.000 0.759 193 P CB -0.079 31.625 31.700 0.007 0.000 0.843 194 R N -1.828 118.677 120.500 0.008 0.000 2.265 194 R HA 0.315 4.655 4.340 -0.000 0.000 0.194 194 R C 1.347 177.652 176.300 0.007 0.000 0.931 194 R CA 0.713 56.817 56.100 0.007 0.000 1.032 194 R CB -0.052 30.253 30.300 0.008 0.000 0.980 194 R HN 0.155 nan 8.270 nan 0.000 0.497 195 G N 1.061 109.866 108.800 0.008 0.000 2.148 195 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.203 195 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.203 195 G C -0.418 174.488 174.900 0.011 0.000 0.993 195 G CA -0.390 44.715 45.100 0.009 0.000 0.661 195 G HN 0.166 nan 8.290 nan 0.000 0.518 196 E N -0.211 119.996 120.200 0.012 0.000 2.227 196 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 196 E C 0.100 176.710 176.600 0.016 0.000 0.907 196 E CA -0.893 55.517 56.400 0.016 0.000 0.786 196 E CB 1.654 31.366 29.700 0.020 0.000 1.191 196 E HN 0.226 nan 8.360 nan 0.000 0.411 197 L N 2.637 123.870 121.223 0.017 0.000 2.295 197 L HA 0.155 4.495 4.340 -0.000 0.000 0.288 197 L C 0.366 177.250 176.870 0.023 0.000 1.079 197 L CA -0.251 54.599 54.840 0.017 0.000 0.830 197 L CB 0.238 42.309 42.059 0.020 0.000 1.200 197 L HN 0.160 nan 8.230 nan 0.000 0.438 198 E N 2.910 123.122 120.200 0.021 0.000 2.227 198 E HA 0.064 4.414 4.350 -0.000 0.000 0.282 198 E C 0.765 177.376 176.600 0.019 0.000 1.015 198 E CA -0.418 55.998 56.400 0.027 0.000 0.823 198 E CB 2.580 32.298 29.700 0.030 0.000 1.081 198 E HN 0.446 nan 8.360 nan 0.000 0.396 199 I N 2.692 123.270 120.570 0.013 0.000 2.493 199 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 199 I C 1.803 177.919 176.117 -0.001 0.000 1.160 199 I CA 1.533 62.810 61.300 -0.038 0.000 1.445 199 I CB -0.043 37.855 38.000 -0.169 0.000 1.086 199 I HN 0.441 nan 8.210 nan 0.000 0.433 200 T N 0.318 114.898 114.554 0.045 0.000 2.833 200 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 200 T C 1.487 176.218 174.700 0.053 0.000 1.054 200 T CA 1.663 63.806 62.100 0.072 0.000 1.135 200 T CB -0.286 68.632 68.868 0.083 0.000 0.869 200 T HN 0.371 nan 8.240 nan 0.000 0.466 201 D N 0.544 120.963 120.400 0.031 0.000 2.149 201 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 201 D C 2.279 178.584 176.300 0.009 0.000 0.972 201 D CA 0.459 54.469 54.000 0.016 0.000 0.835 201 D CB -0.480 40.322 40.800 0.003 0.000 0.966 201 D HN 0.188 nan 8.370 nan 0.000 0.476 202 V N 1.930 121.842 119.914 -0.004 0.000 2.255 202 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 202 V C 2.043 178.210 176.094 0.121 0.000 1.051 202 V CA 1.627 63.914 62.300 -0.021 0.000 1.018 202 V CB -0.520 31.229 31.823 -0.124 0.000 0.641 202 V HN 0.173 nan 8.190 nan 0.000 0.445 203 N N 0.064 118.855 118.700 0.152 0.000 2.149 203 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 203 N C 1.955 177.565 175.510 0.167 0.000 1.019 203 N CA 1.567 54.745 53.050 0.213 0.000 0.857 203 N CB -0.503 38.089 38.487 0.176 0.000 0.997 203 N HN 0.458 nan 8.380 nan 0.000 0.426 204 R N 0.742 121.300 120.500 0.097 0.000 2.092 204 R HA 0.028 4.367 4.340 -0.000 0.000 0.231 204 R C 2.000 178.329 176.300 0.049 0.000 1.119 204 R CA 1.127 57.263 56.100 0.059 0.000 0.970 204 R CB -0.138 30.182 30.300 0.032 0.000 0.864 204 R HN 0.193 nan 8.270 nan 0.000 0.440 205 A N -0.084 122.754 122.820 0.029 0.000 1.940 205 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 205 A C 1.806 179.361 177.584 -0.048 0.000 1.176 205 A CA 1.222 53.231 52.037 -0.047 0.000 0.631 205 A CB -0.676 18.248 19.000 -0.127 0.000 0.814 205 A HN 0.463 nan 8.150 nan 0.000 0.446 206 Y N -1.287 119.009 120.300 -0.005 0.000 2.263 206 Y HA -0.054 4.495 4.550 -0.000 0.000 0.292 206 Y C 2.184 178.084 175.900 0.000 0.000 1.130 206 Y CA 1.111 59.215 58.100 0.005 0.000 1.179 206 Y CB -0.213 38.272 38.460 0.041 0.000 0.998 206 Y HN 0.331 nan 8.280 nan 0.000 0.532 207 L N 0.658 121.974 121.223 0.155 0.000 2.079 207 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 207 L C 1.753 178.646 176.870 0.038 0.000 1.081 207 L CA 1.892 56.777 54.840 0.074 0.000 0.752 207 L CB -0.552 41.535 42.059 0.047 0.000 0.896 207 L HN 0.200 nan 8.230 nan 0.000 0.433 208 E N -0.793 119.421 120.200 0.024 0.000 2.478 208 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 208 E C 1.485 178.082 176.600 -0.004 0.000 1.046 208 E CA 0.268 56.669 56.400 0.002 0.000 0.870 208 E CB 0.049 29.743 29.700 -0.009 0.000 0.818 208 E HN 0.535 nan 8.360 nan 0.000 0.527 209 R N -0.645 119.857 120.500 0.003 0.000 2.397 209 R HA 0.126 4.466 4.340 -0.000 0.000 0.241 209 R C 0.894 177.206 176.300 0.019 0.000 0.914 209 R CA 0.395 56.493 56.100 -0.003 0.000 1.071 209 R CB 0.974 31.258 30.300 -0.027 0.000 1.116 209 R HN 0.134 nan 8.270 nan 0.000 0.524 210 G N 1.786 110.604 108.800 0.029 0.000 2.160 210 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 210 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 210 G C 0.319 175.245 174.900 0.044 0.000 1.008 210 G CA 0.246 45.363 45.100 0.029 0.000 0.724 210 G HN 0.436 nan 8.290 nan 0.000 0.514 211 Q N -1.325 118.526 119.800 0.084 0.000 2.141 211 Q HA 0.462 4.802 4.340 -0.000 0.000 0.248 211 Q C 0.052 176.127 176.000 0.125 0.000 0.834 211 Q CA -0.398 55.478 55.803 0.122 0.000 1.096 211 Q CB 1.108 29.962 28.738 0.195 0.000 1.189 211 Q HN 0.417 nan 8.270 nan 0.000 0.471 212 L N 1.008 122.275 121.223 0.073 0.000 2.280 212 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 212 L C -0.533 176.310 176.870 -0.045 0.000 1.023 212 L CA -0.221 54.621 54.840 0.004 0.000 0.819 212 L CB 1.885 43.969 42.059 0.042 0.000 1.212 212 L HN -0.096 nan 8.230 nan 0.000 0.420 213 S N 4.876 120.513 115.700 -0.105 0.000 2.422 213 S HA 0.584 5.054 4.470 -0.000 0.000 0.298 213 S C -0.662 173.834 174.600 -0.173 0.000 1.118 213 S CA -0.576 57.548 58.200 -0.126 0.000 1.083 213 S CB 0.495 63.603 63.200 -0.154 0.000 0.971 213 S HN 0.454 nan 8.310 nan 0.000 0.478 214 V N 6.415 126.267 119.914 -0.104 0.000 2.328 214 V HA 0.427 4.547 4.120 -0.000 0.000 0.278 214 V C -0.131 175.921 176.094 -0.069 0.000 1.021 214 V CA -0.707 61.539 62.300 -0.090 0.000 0.838 214 V CB 1.200 33.039 31.823 0.027 0.000 0.999 214 V HN 0.800 nan 8.190 nan 0.000 0.447 215 E N 4.139 124.232 120.200 -0.180 0.000 2.216 215 E HA 0.409 4.759 4.350 -0.000 0.000 0.279 215 E C -0.413 176.220 176.600 0.054 0.000 0.997 215 E CA -0.813 55.537 56.400 -0.083 0.000 0.817 215 E CB 2.290 31.913 29.700 -0.129 0.000 1.096 215 E HN 0.328 nan 8.360 nan 0.000 0.393 216 I N 2.632 123.230 120.570 0.046 0.000 2.533 216 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 216 I C 0.650 176.893 176.117 0.211 0.000 1.109 216 I CA 0.078 61.429 61.300 0.085 0.000 1.412 216 I CB -0.059 37.920 38.000 -0.035 0.000 1.396 216 I HN 0.459 nan 8.210 nan 0.000 0.543 217 M N 6.392 126.168 119.600 0.294 0.000 2.055 217 M HA 0.458 4.938 4.480 -0.000 0.000 0.347 217 M C 0.502 177.069 176.300 0.444 0.000 1.123 217 M CA -0.379 55.104 55.300 0.306 0.000 1.035 217 M CB 0.618 33.357 32.600 0.231 0.000 1.484 217 M HN 0.688 nan 8.290 nan 0.000 0.428 218 G N 3.853 112.918 108.800 0.442 0.000 2.630 218 G HA2 0.051 4.011 3.960 -0.000 0.000 0.236 218 G HA3 0.051 4.011 3.960 -0.000 0.000 0.236 218 G C 0.714 175.794 174.900 0.300 0.000 1.248 218 G CA -0.582 44.708 45.100 0.317 0.000 0.844 218 G HN 0.994 nan 8.290 nan 0.000 0.588 219 R N 0.278 120.844 120.500 0.110 0.000 2.241 219 R HA -0.021 4.318 4.340 -0.000 0.000 0.224 219 R C 1.979 178.343 176.300 0.106 0.000 1.101 219 R CA 1.227 57.343 56.100 0.027 0.000 0.995 219 R CB -0.382 29.885 30.300 -0.054 0.000 0.870 219 R HN 0.489 nan 8.270 nan 0.000 0.463 220 G N 0.239 109.084 108.800 0.075 0.000 2.598 220 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 220 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 220 G C -0.119 174.762 174.900 -0.032 0.000 1.131 220 G CA -0.004 45.089 45.100 -0.012 0.000 0.785 220 G HN 0.262 nan 8.290 nan 0.000 0.539 221 Y N 0.095 120.524 120.300 0.215 0.000 2.335 221 Y HA 0.549 5.099 4.550 -0.000 0.000 0.323 221 Y C 0.550 176.642 175.900 0.320 0.000 1.224 221 Y CA -0.811 57.416 58.100 0.211 0.000 1.241 221 Y CB 1.533 40.105 38.460 0.186 0.000 1.235 221 Y HN 0.084 nan 8.280 nan 0.000 0.492 222 A N 2.567 125.618 122.820 0.384 0.000 2.292 222 A HA 0.473 4.793 4.320 -0.000 0.000 0.319 222 A C -1.845 175.707 177.584 -0.052 0.000 1.206 222 A CA -0.439 51.695 52.037 0.163 0.000 0.835 222 A CB 0.119 19.113 19.000 -0.010 0.000 1.164 222 A HN 0.797 nan 8.150 nan 0.000 0.505 223 W N 4.735 125.686 121.300 -0.581 0.000 2.543 223 W HA 0.621 5.281 4.660 -0.000 0.000 0.318 223 W C -2.012 174.134 176.519 -0.622 0.000 1.002 223 W CA -0.817 56.024 57.345 -0.839 0.000 1.302 223 W CB 0.797 29.504 29.460 -1.255 0.000 1.299 223 W HN 0.556 nan 8.180 nan 0.000 0.424 224 L N 5.350 126.004 121.223 -0.949 0.000 2.342 224 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 224 L C -0.450 175.906 176.870 -0.856 0.000 1.008 224 L CA -1.032 53.295 54.840 -0.854 0.000 0.818 224 L CB 1.878 43.588 42.059 -0.582 0.000 1.296 224 L HN 0.273 nan 8.230 nan 0.000 0.427 225 D N 0.085 120.085 120.400 -0.666 0.000 2.408 225 D HA 0.193 4.832 4.640 -0.000 0.000 0.243 225 D C 0.403 176.551 176.300 -0.254 0.000 1.075 225 D CA -0.444 53.303 54.000 -0.421 0.000 0.832 225 D CB 1.883 42.472 40.800 -0.352 0.000 1.162 225 D HN 0.577 nan 8.370 nan 0.000 0.515 226 T N 0.632 115.079 114.554 -0.178 0.000 3.393 226 T HA 0.284 4.634 4.350 -0.000 0.000 0.248 226 T C 1.410 176.055 174.700 -0.091 0.000 0.992 226 T CA -0.185 61.839 62.100 -0.128 0.000 0.929 226 T CB -0.092 68.716 68.868 -0.100 0.000 1.065 226 T HN 0.355 nan 8.240 nan 0.000 0.597 227 G N 1.441 110.182 108.800 -0.098 0.000 2.880 227 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 227 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 227 G C 0.658 175.477 174.900 -0.134 0.000 1.157 227 G CA 0.413 45.457 45.100 -0.093 0.000 0.779 227 G HN 0.731 nan 8.290 nan 0.000 0.539 228 T N -4.633 109.842 114.554 -0.132 0.000 2.926 228 T HA 0.398 4.748 4.350 -0.000 0.000 0.289 228 T C 0.842 175.471 174.700 -0.117 0.000 1.054 228 T CA -0.542 61.451 62.100 -0.179 0.000 1.015 228 T CB 1.735 70.525 68.868 -0.130 0.000 1.167 228 T HN 0.188 nan 8.240 nan 0.000 0.526 229 H N 0.107 119.160 119.070 -0.029 0.000 2.319 229 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 229 H C 1.570 176.882 175.328 -0.026 0.000 1.097 229 H CA 2.013 58.048 56.048 -0.021 0.000 1.285 229 H CB 0.094 29.849 29.762 -0.011 0.000 1.368 229 H HN 0.612 nan 8.280 nan 0.000 0.495 230 D N -0.257 120.202 120.400 0.098 0.000 2.117 230 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 230 D C 2.435 178.732 176.300 -0.005 0.000 0.982 230 D CA 1.528 55.550 54.000 0.038 0.000 0.828 230 D CB -0.343 40.469 40.800 0.020 0.000 0.967 230 D HN 0.414 nan 8.370 nan 0.000 0.464 231 S N 0.484 116.164 115.700 -0.034 0.000 2.406 231 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 231 S C 2.026 176.575 174.600 -0.085 0.000 1.020 231 S CA 0.369 58.522 58.200 -0.079 0.000 0.965 231 S CB -0.377 62.755 63.200 -0.113 0.000 0.798 231 S HN 0.157 nan 8.310 nan 0.000 0.488 232 L N 1.537 122.730 121.223 -0.050 0.000 2.027 232 L HA 0.166 4.506 4.340 -0.000 0.000 0.206 232 L C 2.275 179.131 176.870 -0.023 0.000 1.074 232 L CA 1.538 56.354 54.840 -0.040 0.000 0.745 232 L CB -0.758 41.303 42.059 0.003 0.000 0.898 232 L HN 0.363 nan 8.230 nan 0.000 0.433 233 L N -0.733 120.491 121.223 0.002 0.000 2.017 233 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 233 L C 2.613 179.480 176.870 -0.005 0.000 1.073 233 L CA 1.445 56.290 54.840 0.009 0.000 0.745 233 L CB -0.808 41.261 42.059 0.016 0.000 0.894 233 L HN 0.341 nan 8.230 nan 0.000 0.432 234 E N 0.373 120.560 120.200 -0.022 0.000 2.058 234 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 234 E C 2.274 178.855 176.600 -0.031 0.000 0.997 234 E CA 1.466 57.850 56.400 -0.027 0.000 0.801 234 E CB -0.160 29.509 29.700 -0.052 0.000 0.746 234 E HN 0.519 nan 8.360 nan 0.000 0.450 235 A N 1.241 124.010 122.820 -0.085 0.000 1.933 235 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 235 A C 2.462 180.025 177.584 -0.034 0.000 1.175 235 A CA 1.705 53.673 52.037 -0.116 0.000 0.628 235 A CB -1.031 17.841 19.000 -0.214 0.000 0.814 235 A HN 0.353 nan 8.150 nan 0.000 0.444 236 G N -0.535 108.256 108.800 -0.016 0.000 2.440 236 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.218 236 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.218 236 G C 1.591 176.478 174.900 -0.022 0.000 1.154 236 G CA 1.033 46.157 45.100 0.040 0.000 0.767 236 G HN 0.669 nan 8.290 nan 0.000 0.552 237 Q N -0.876 118.910 119.800 -0.024 0.000 2.119 237 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 237 Q C 2.255 178.199 176.000 -0.092 0.000 0.972 237 Q CA 0.997 56.755 55.803 -0.075 0.000 0.847 237 Q CB -0.269 28.453 28.738 -0.026 0.000 0.903 237 Q HN 0.513 nan 8.270 nan 0.000 0.433 238 F N 1.537 121.386 119.950 -0.168 0.000 2.102 238 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 238 F C 1.956 177.621 175.800 -0.225 0.000 1.105 238 F CA 1.124 59.017 58.000 -0.178 0.000 1.239 238 F CB 0.003 38.908 39.000 -0.159 0.000 0.991 238 F HN -0.020 nan 8.300 nan 0.000 0.474 239 I N 0.554 121.107 120.570 -0.029 0.000 2.226 239 I HA -0.261 3.908 4.170 -0.000 0.000 0.245 239 I C 2.738 178.666 176.117 -0.316 0.000 1.100 239 I CA 1.473 62.705 61.300 -0.112 0.000 1.374 239 I CB -2.155 35.899 38.000 0.089 0.000 1.057 239 I HN 0.225 nan 8.210 nan 0.000 0.413 240 A N 0.395 122.863 122.820 -0.587 0.000 1.902 240 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 240 A C 2.453 179.733 177.584 -0.508 0.000 1.181 240 A CA 2.430 53.897 52.037 -0.950 0.000 0.623 240 A CB -1.087 17.054 19.000 -1.431 0.000 0.818 240 A HN 0.400 nan 8.150 nan 0.000 0.443 241 T N 0.478 114.796 114.554 -0.394 0.000 2.708 241 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 241 T C 1.829 176.349 174.700 -0.300 0.000 1.037 241 T CA 1.529 63.442 62.100 -0.311 0.000 1.146 241 T CB -0.424 68.258 68.868 -0.310 0.000 0.865 241 T HN 0.376 nan 8.240 nan 0.000 0.435 242 L N 0.687 121.678 121.223 -0.385 0.000 1.989 242 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 242 L C 2.793 179.552 176.870 -0.186 0.000 1.071 242 L CA 1.614 56.263 54.840 -0.320 0.000 0.749 242 L CB -0.594 41.187 42.059 -0.463 0.000 0.890 242 L HN 0.348 nan 8.230 nan 0.000 0.431 243 E N -0.150 119.947 120.200 -0.172 0.000 2.077 243 E HA -0.188 4.161 4.350 -0.000 0.000 0.193 243 E C 1.882 178.442 176.600 -0.067 0.000 0.989 243 E CA 1.046 57.391 56.400 -0.091 0.000 0.800 243 E CB -0.152 29.528 29.700 -0.033 0.000 0.746 243 E HN 0.491 nan 8.360 nan 0.000 0.452 244 N N 0.698 119.343 118.700 -0.092 0.000 2.331 244 N HA -0.103 4.637 4.740 -0.000 0.000 0.180 244 N C 1.817 177.295 175.510 -0.053 0.000 1.019 244 N CA 0.652 53.667 53.050 -0.058 0.000 0.881 244 N CB -0.031 38.412 38.487 -0.073 0.000 0.972 244 N HN 0.017 nan 8.380 nan 0.000 0.435 245 R N 1.536 121.990 120.500 -0.077 0.000 2.062 245 R HA 0.077 4.416 4.340 -0.000 0.000 0.226 245 R C 1.824 178.106 176.300 -0.029 0.000 1.125 245 R CA 1.471 57.536 56.100 -0.057 0.000 0.966 245 R CB -0.294 29.958 30.300 -0.080 0.000 0.861 245 R HN 0.245 nan 8.270 nan 0.000 0.433 246 Q N -1.143 118.641 119.800 -0.027 0.000 2.302 246 Q HA 0.197 4.536 4.340 -0.000 0.000 0.202 246 Q C 0.760 176.777 176.000 0.028 0.000 0.936 246 Q CA 0.676 56.483 55.803 0.006 0.000 0.886 246 Q CB 0.420 29.169 28.738 0.017 0.000 0.986 246 Q HN 0.587 nan 8.270 nan 0.000 0.487 247 G N 1.264 110.077 108.800 0.021 0.000 2.179 247 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 247 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 247 G C -0.207 174.766 174.900 0.121 0.000 1.010 247 G CA 0.279 45.413 45.100 0.056 0.000 0.736 247 G HN 0.198 nan 8.290 nan 0.000 0.513 248 L N -0.860 120.410 121.223 0.079 0.000 2.362 248 L HA 0.587 4.926 4.340 -0.000 0.000 0.271 248 L C 0.381 177.198 176.870 -0.089 0.000 1.002 248 L CA -1.151 53.767 54.840 0.130 0.000 0.818 248 L CB 1.896 44.042 42.059 0.146 0.000 1.298 248 L HN -0.034 nan 8.230 nan 0.000 0.420 249 K N 1.362 121.577 120.400 -0.309 0.000 2.098 249 K HA 0.574 4.893 4.320 -0.000 0.000 0.258 249 K C -0.940 175.633 176.600 -0.045 0.000 0.973 249 K CA -0.790 55.317 56.287 -0.300 0.000 0.898 249 K CB 2.382 34.481 32.500 -0.668 0.000 1.057 249 K HN 0.209 nan 8.250 nan 0.000 0.447 250 V N 1.704 121.639 119.914 0.035 0.000 2.439 250 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 250 V C 0.440 176.567 176.094 0.055 0.000 1.039 250 V CA -0.103 62.275 62.300 0.130 0.000 0.913 250 V CB 0.782 32.748 31.823 0.239 0.000 0.983 250 V HN 1.031 nan 8.190 nan 0.000 0.460 251 A N 3.580 126.429 122.820 0.048 0.000 2.846 251 A HA -0.198 4.121 4.320 -0.000 0.000 0.287 251 A C 0.391 177.920 177.584 -0.093 0.000 1.469 251 A CA 0.476 52.471 52.037 -0.069 0.000 0.757 251 A CB -2.154 16.668 19.000 -0.295 0.000 1.033 251 A HN 0.814 nan 8.150 nan 0.000 0.516 252 C N 0.515 119.789 119.300 -0.043 0.000 2.289 252 C HA 0.409 4.869 4.460 -0.000 0.000 0.340 252 C C -0.074 174.801 174.990 -0.191 0.000 1.152 252 C CA -0.454 58.536 59.018 -0.046 0.000 1.650 252 C CB 0.057 27.772 27.740 -0.042 0.000 2.203 252 C HN 0.595 nan 8.230 nan 0.000 0.511 253 P HA -0.107 nan 4.420 nan 0.000 0.217 253 P C 1.136 178.085 177.300 -0.584 0.000 1.150 253 P CA 1.312 64.058 63.100 -0.590 0.000 0.832 253 P CB 0.261 31.283 31.700 -1.129 0.000 0.787 254 E N -0.191 119.604 120.200 -0.675 0.000 2.118 254 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 254 E C 2.049 178.556 176.600 -0.155 0.000 0.992 254 E CA 1.221 57.377 56.400 -0.407 0.000 0.804 254 E CB -0.611 28.946 29.700 -0.238 0.000 0.741 254 E HN 0.453 nan 8.360 nan 0.000 0.458 255 E N 0.457 120.581 120.200 -0.126 0.000 2.046 255 E HA -0.148 4.201 4.350 -0.000 0.000 0.190 255 E C 1.998 178.574 176.600 -0.039 0.000 0.982 255 E CA 0.811 57.187 56.400 -0.041 0.000 0.800 255 E CB -0.055 29.645 29.700 -0.002 0.000 0.756 255 E HN 0.234 nan 8.360 nan 0.000 0.449 256 I N 1.192 121.704 120.570 -0.096 0.000 2.226 256 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 256 I C 2.584 178.580 176.117 -0.202 0.000 1.100 256 I CA 1.030 62.244 61.300 -0.144 0.000 1.374 256 I CB -0.294 37.632 38.000 -0.124 0.000 1.057 256 I HN 0.209 nan 8.210 nan 0.000 0.413 257 A N 0.165 122.927 122.820 -0.096 0.000 1.908 257 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 257 A C 2.307 179.883 177.584 -0.013 0.000 1.181 257 A CA 1.840 53.882 52.037 0.008 0.000 0.627 257 A CB -1.073 18.053 19.000 0.210 0.000 0.818 257 A HN 0.549 nan 8.150 nan 0.000 0.445 258 Y N 0.525 120.762 120.300 -0.105 0.000 2.200 258 Y HA -0.141 4.408 4.550 -0.000 0.000 0.290 258 Y C 2.447 178.255 175.900 -0.153 0.000 1.137 258 Y CA 1.848 59.892 58.100 -0.094 0.000 1.163 258 Y CB -0.263 38.146 38.460 -0.084 0.000 0.988 258 Y HN 0.251 nan 8.280 nan 0.000 0.518 259 R N -0.265 120.089 120.500 -0.244 0.000 2.092 259 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 259 R C 1.910 177.969 176.300 -0.402 0.000 1.119 259 R CA 1.355 57.252 56.100 -0.339 0.000 0.970 259 R CB -0.251 29.913 30.300 -0.227 0.000 0.864 259 R HN 0.463 nan 8.270 nan 0.000 0.440 260 Q N 0.655 120.140 119.800 -0.525 0.000 2.482 260 Q HA -0.005 4.335 4.340 -0.000 0.000 0.209 260 Q C 0.117 175.781 176.000 -0.561 0.000 0.961 260 Q CA 0.382 55.752 55.803 -0.722 0.000 0.945 260 Q CB 0.295 28.139 28.738 -1.490 0.000 1.012 260 Q HN 0.259 nan 8.270 nan 0.000 0.515 261 K N -1.410 118.773 120.400 -0.362 0.000 3.230 261 K HA -0.159 4.161 4.320 -0.000 0.000 0.285 261 K C 0.137 176.803 176.600 0.110 0.000 1.196 261 K CA 0.546 56.748 56.287 -0.142 0.000 0.838 261 K CB -1.230 31.204 32.500 -0.109 0.000 1.262 261 K HN 0.287 nan 8.250 nan 0.000 0.492 262 W N 0.634 121.946 121.300 0.020 0.000 2.658 262 W HA 0.235 4.894 4.660 -0.000 0.000 0.263 262 W C 1.263 177.831 176.519 0.081 0.000 1.274 262 W CA 0.469 57.845 57.345 0.051 0.000 1.343 262 W CB -0.188 29.308 29.460 0.061 0.000 1.106 262 W HN 0.234 nan 8.180 nan 0.000 0.615 263 I N -0.829 119.917 120.570 0.293 0.000 2.934 263 I HA 0.497 4.667 4.170 -0.000 0.000 0.306 263 I C -0.487 175.778 176.117 0.247 0.000 1.110 263 I CA -1.175 60.275 61.300 0.251 0.000 1.019 263 I CB 2.173 40.328 38.000 0.259 0.000 1.227 263 I HN -0.282 nan 8.210 nan 0.000 0.434 264 D N 3.301 123.833 120.400 0.220 0.000 2.487 264 D HA 0.561 5.201 4.640 -0.000 0.000 0.262 264 D C 0.954 177.418 176.300 0.273 0.000 1.130 264 D CA -0.355 53.790 54.000 0.243 0.000 1.038 264 D CB 1.379 42.265 40.800 0.144 0.000 1.142 264 D HN 0.674 nan 8.370 nan 0.000 0.575 265 A N -0.048 122.939 122.820 0.278 0.000 1.933 265 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 265 A C 2.147 179.732 177.584 0.002 0.000 1.175 265 A CA 2.266 54.350 52.037 0.080 0.000 0.628 265 A CB -1.415 17.648 19.000 0.105 0.000 0.814 265 A HN 0.683 nan 8.150 nan 0.000 0.444 266 A N -0.386 122.461 122.820 0.045 0.000 1.883 266 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 266 A C 2.123 179.726 177.584 0.031 0.000 1.186 266 A CA 1.839 53.894 52.037 0.030 0.000 0.624 266 A CB -0.706 18.319 19.000 0.042 0.000 0.822 266 A HN 0.664 nan 8.150 nan 0.000 0.444 267 Q N -1.165 118.670 119.800 0.059 0.000 2.096 267 Q HA -0.176 4.163 4.340 -0.000 0.000 0.204 267 Q C 2.108 178.140 176.000 0.053 0.000 0.982 267 Q CA 1.479 57.327 55.803 0.076 0.000 0.850 267 Q CB -0.393 28.415 28.738 0.117 0.000 0.901 267 Q HN 0.593 nan 8.270 nan 0.000 0.422 268 L N 1.126 122.343 121.223 -0.010 0.000 2.017 268 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 268 L C 2.111 178.936 176.870 -0.074 0.000 1.073 268 L CA 1.937 56.721 54.840 -0.094 0.000 0.745 268 L CB -0.543 41.296 42.059 -0.366 0.000 0.894 268 L HN 0.179 nan 8.230 nan 0.000 0.432 269 E N -0.400 119.752 120.200 -0.078 0.000 2.085 269 E HA -0.311 4.038 4.350 -0.000 0.000 0.194 269 E C 2.232 178.833 176.600 0.001 0.000 0.994 269 E CA 1.534 57.907 56.400 -0.045 0.000 0.801 269 E CB -0.161 29.516 29.700 -0.038 0.000 0.743 269 E HN 0.522 nan 8.360 nan 0.000 0.453 270 K N 0.386 120.799 120.400 0.021 0.000 2.148 270 K HA -0.139 4.180 4.320 -0.000 0.000 0.204 270 K C 2.074 178.715 176.600 0.069 0.000 1.050 270 K CA 0.850 57.162 56.287 0.043 0.000 0.942 270 K CB -0.015 32.514 32.500 0.048 0.000 0.724 270 K HN 0.192 nan 8.250 nan 0.000 0.446 271 L N 0.449 121.725 121.223 0.089 0.000 2.109 271 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 271 L C 2.651 179.597 176.870 0.126 0.000 1.086 271 L CA 1.052 55.978 54.840 0.144 0.000 0.760 271 L CB -0.503 41.672 42.059 0.193 0.000 0.910 271 L HN 0.239 nan 8.230 nan 0.000 0.437 272 A N 0.197 123.062 122.820 0.075 0.000 1.933 272 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 272 A C 2.564 180.191 177.584 0.072 0.000 1.175 272 A CA 1.561 53.640 52.037 0.070 0.000 0.628 272 A CB -0.637 18.369 19.000 0.011 0.000 0.814 272 A HN 0.389 nan 8.150 nan 0.000 0.444 273 A N 0.823 123.676 122.820 0.054 0.000 1.859 273 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 273 A C 0.395 178.010 177.584 0.053 0.000 1.209 273 A CA 2.112 54.176 52.037 0.046 0.000 0.639 273 A CB -1.915 17.108 19.000 0.038 0.000 0.835 273 A HN 0.519 nan 8.150 nan 0.000 0.450 274 P HA 0.007 nan 4.420 nan 0.000 0.234 274 P C 0.747 178.086 177.300 0.066 0.000 1.167 274 P CA 0.795 63.929 63.100 0.056 0.000 0.763 274 P CB -0.057 31.677 31.700 0.056 0.000 0.835 275 L N -1.537 119.740 121.223 0.091 0.000 2.693 275 L HA 0.318 4.658 4.340 -0.000 0.000 0.235 275 L C 2.289 179.219 176.870 0.100 0.000 1.127 275 L CA 0.104 55.008 54.840 0.108 0.000 0.914 275 L CB -0.388 41.781 42.059 0.183 0.000 1.193 275 L HN -0.169 nan 8.230 nan 0.000 0.502 276 A N 0.061 122.926 122.820 0.075 0.000 2.076 276 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 276 A C 1.950 179.564 177.584 0.051 0.000 1.160 276 A CA 1.321 53.394 52.037 0.059 0.000 0.653 276 A CB -0.176 18.849 19.000 0.041 0.000 0.801 276 A HN 0.138 nan 8.150 nan 0.000 0.455 277 K N 0.509 120.936 120.400 0.045 0.000 2.569 277 K HA 0.012 4.332 4.320 -0.000 0.000 0.193 277 K C -0.276 176.347 176.600 0.038 0.000 1.026 277 K CA 0.528 56.836 56.287 0.035 0.000 1.093 277 K CB -0.728 31.787 32.500 0.024 0.000 0.849 277 K HN 0.919 nan 8.250 nan 0.000 0.509 278 N N -3.846 114.888 118.700 0.057 0.000 2.774 278 N HA 0.232 4.972 4.740 -0.000 0.000 0.264 278 N C 1.018 176.582 175.510 0.090 0.000 1.415 278 N CA -0.487 52.600 53.050 0.061 0.000 0.815 278 N CB 0.290 38.807 38.487 0.050 0.000 1.514 278 N HN -0.196 nan 8.380 nan 0.000 0.523 279 G N -0.660 108.190 108.800 0.084 0.000 2.442 279 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.219 279 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.219 279 G C 0.880 175.862 174.900 0.138 0.000 1.141 279 G CA 0.897 46.053 45.100 0.092 0.000 0.763 279 G HN 0.600 nan 8.290 nan 0.000 0.554 280 Y N 1.558 121.879 120.300 0.035 0.000 2.128 280 Y HA -0.101 4.448 4.550 -0.000 0.000 0.284 280 Y C 2.862 178.830 175.900 0.114 0.000 1.154 280 Y CA 1.919 60.056 58.100 0.061 0.000 1.149 280 Y CB -0.337 38.144 38.460 0.035 0.000 0.976 280 Y HN 0.157 nan 8.280 nan 0.000 0.505 281 G N -1.153 107.812 108.800 0.274 0.000 2.421 281 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.217 281 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.217 281 G C 1.377 176.332 174.900 0.090 0.000 1.143 281 G CA 0.716 45.922 45.100 0.176 0.000 0.784 281 G HN 0.440 nan 8.290 nan 0.000 0.541 282 Q N -0.923 118.932 119.800 0.091 0.000 2.084 282 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 282 Q C 2.145 178.171 176.000 0.043 0.000 0.978 282 Q CA 1.414 57.249 55.803 0.054 0.000 0.844 282 Q CB -0.351 28.421 28.738 0.058 0.000 0.898 282 Q HN 0.627 nan 8.270 nan 0.000 0.426 283 Y N 1.149 121.405 120.300 -0.073 0.000 2.097 283 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 283 Y C 1.734 177.546 175.900 -0.147 0.000 1.152 283 Y CA 1.526 59.550 58.100 -0.126 0.000 1.136 283 Y CB -0.216 38.122 38.460 -0.203 0.000 0.975 283 Y HN 0.027 nan 8.280 nan 0.000 0.498 284 L N 0.163 121.299 121.223 -0.145 0.000 2.013 284 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 284 L C 2.440 179.168 176.870 -0.237 0.000 1.073 284 L CA 2.017 56.720 54.840 -0.227 0.000 0.753 284 L CB -0.695 41.315 42.059 -0.081 0.000 0.890 284 L HN 0.254 nan 8.230 nan 0.000 0.432 285 K N -0.063 120.251 120.400 -0.142 0.000 2.057 285 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 285 K C 2.186 178.691 176.600 -0.159 0.000 1.049 285 K CA 1.366 57.576 56.287 -0.127 0.000 0.931 285 K CB -0.282 32.179 32.500 -0.065 0.000 0.714 285 K HN 0.204 nan 8.250 nan 0.000 0.440 286 R N 1.627 122.026 120.500 -0.168 0.000 2.105 286 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 286 R C 2.109 178.276 176.300 -0.221 0.000 1.135 286 R CA 1.028 57.027 56.100 -0.168 0.000 0.967 286 R CB -0.274 29.938 30.300 -0.148 0.000 0.861 286 R HN 0.140 nan 8.270 nan 0.000 0.442 287 L N 0.683 121.705 121.223 -0.335 0.000 2.353 287 L HA -0.158 4.182 4.340 -0.000 0.000 0.220 287 L C 2.008 178.750 176.870 -0.214 0.000 1.133 287 L CA 0.783 55.436 54.840 -0.312 0.000 0.798 287 L CB -0.254 41.557 42.059 -0.414 0.000 0.922 287 L HN 0.330 nan 8.230 nan 0.000 0.445 288 L N -0.737 120.351 121.223 -0.225 0.000 2.240 288 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 288 L C 2.237 179.065 176.870 -0.070 0.000 1.106 288 L CA 1.471 56.210 54.840 -0.168 0.000 0.793 288 L CB -0.457 41.498 42.059 -0.173 0.000 0.927 288 L HN 0.361 nan 8.230 nan 0.000 0.446 289 T N -4.537 109.969 114.554 -0.080 0.000 3.092 289 T HA 0.127 4.477 4.350 -0.000 0.000 0.258 289 T C 0.351 175.017 174.700 -0.057 0.000 1.031 289 T CA -0.351 61.718 62.100 -0.053 0.000 0.925 289 T CB 0.212 69.050 68.868 -0.049 0.000 1.036 289 T HN 0.181 nan 8.240 nan 0.000 0.544 290 E N 1.354 121.507 120.200 -0.078 0.000 2.187 290 E HA 0.387 4.737 4.350 -0.000 0.000 0.268 290 E C -1.129 175.399 176.600 -0.120 0.000 0.896 290 E CA -0.592 55.753 56.400 -0.092 0.000 0.766 290 E CB 1.519 31.156 29.700 -0.104 0.000 1.142 290 E HN 0.077 nan 8.360 nan 0.000 0.408 291 T N 2.983 117.443 114.554 -0.158 0.000 2.761 291 T HA 0.238 4.588 4.350 -0.000 0.000 0.296 291 T C -0.453 173.982 174.700 -0.441 0.000 0.934 291 T CA -0.342 61.585 62.100 -0.288 0.000 1.091 291 T CB 0.688 69.372 68.868 -0.307 0.000 0.896 291 T HN 0.195 nan 8.240 nan 0.000 0.515 292 V N 5.181 124.856 119.914 -0.398 0.000 2.409 292 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 292 V C -0.568 175.307 176.094 -0.364 0.000 1.020 292 V CA -1.015 61.079 62.300 -0.343 0.000 0.848 292 V CB 0.468 32.203 31.823 -0.146 0.000 0.990 292 V HN 0.797 nan 8.190 nan 0.000 0.430 293 Y N 0.000 120.312 120.300 0.020 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.114 58.100 0.023 0.000 1.940 293 Y CB 0.000 38.475 38.460 0.025 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758