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 1gt9_1_2 DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISWG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.568 177.584 -0.026 0.000 1.274 1 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 1 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 2 A N -0.877 121.920 122.820 -0.040 0.000 2.583 2 A HA 0.790 5.148 4.320 0.064 0.000 0.299 2 A C -3.031 174.501 177.584 -0.087 0.000 1.258 2 A CA -1.224 50.788 52.037 -0.041 0.000 0.682 2 A CB -0.306 18.684 19.000 -0.016 0.000 1.332 2 A HN 0.185 nan 8.150 nan 0.000 0.485 3 P HA 0.046 nan 4.420 nan 0.000 0.261 3 P C 0.577 177.695 177.300 -0.303 0.000 1.173 3 P CA 1.313 64.260 63.100 -0.254 0.000 0.760 3 P CB 0.486 32.002 31.700 -0.307 0.000 0.783 4 T N 0.297 114.663 114.554 -0.313 0.000 3.054 4 T HA 0.593 4.981 4.350 0.064 0.000 0.255 4 T C 0.340 174.850 174.700 -0.318 0.000 1.035 4 T CA -0.051 61.899 62.100 -0.251 0.000 0.941 4 T CB 0.196 68.972 68.868 -0.152 0.000 1.026 4 T HN 0.481 nan 8.240 nan 0.000 0.533 5 A N 0.148 122.664 122.820 -0.506 0.000 2.597 5 A HA 0.695 5.053 4.320 0.064 0.000 0.292 5 A C -2.211 174.972 177.584 -0.670 0.000 1.057 5 A CA -1.162 50.599 52.037 -0.461 0.000 0.674 5 A CB 0.836 19.702 19.000 -0.224 0.000 1.278 5 A HN 0.315 nan 8.150 nan 0.000 0.416 6 Y N -0.300 119.881 120.300 -0.199 0.000 2.562 6 Y HA 0.616 5.204 4.550 0.063 0.000 0.345 6 Y C 0.905 176.739 175.900 -0.110 0.000 1.045 6 Y CA -0.150 57.838 58.100 -0.188 0.000 1.028 6 Y CB 2.360 40.640 38.460 -0.299 0.000 1.297 6 Y HN 0.896 nan 8.280 nan 0.000 0.463 7 T N -1.858 112.766 114.554 0.118 0.000 2.874 7 T HA 0.255 4.644 4.350 0.064 0.000 0.281 7 T C -2.251 172.528 174.700 0.131 0.000 0.994 7 T CA -1.960 60.213 62.100 0.122 0.000 1.015 7 T CB 1.506 70.401 68.868 0.045 0.000 1.028 7 T HN 0.303 nan 8.240 nan 0.000 0.523 8 P HA -0.016 nan 4.420 nan 0.000 0.216 8 P C 1.626 178.917 177.300 -0.014 0.000 1.150 8 P CA 0.910 64.116 63.100 0.175 0.000 0.837 8 P CB -0.136 31.681 31.700 0.194 0.000 0.786 9 L N -0.672 120.534 121.223 -0.028 0.000 2.131 9 L HA -0.173 4.205 4.340 0.064 0.000 0.210 9 L C 1.954 178.736 176.870 -0.146 0.000 1.092 9 L CA 1.406 56.191 54.840 -0.092 0.000 0.759 9 L CB -0.974 41.051 42.059 -0.056 0.000 0.903 9 L HN 0.017 nan 8.230 nan 0.000 0.435 10 D N -0.178 120.151 120.400 -0.119 0.000 2.144 10 D HA -0.131 4.547 4.640 0.064 0.000 0.200 10 D C 2.341 178.420 176.300 -0.367 0.000 0.978 10 D CA 1.188 55.087 54.000 -0.168 0.000 0.833 10 D CB -0.012 40.768 40.800 -0.034 0.000 0.961 10 D HN 0.178 nan 8.370 nan 0.000 0.470 11 V N 1.744 121.400 119.914 -0.429 0.000 2.358 11 V HA -0.181 3.977 4.120 0.064 0.000 0.246 11 V C 2.627 178.345 176.094 -0.626 0.000 1.047 11 V CA 1.610 63.527 62.300 -0.638 0.000 1.035 11 V CB -0.725 30.827 31.823 -0.452 0.000 0.658 11 V HN 0.152 nan 8.190 nan 0.000 0.452 12 A N -0.232 122.231 122.820 -0.596 0.000 1.933 12 A HA -0.304 4.055 4.320 0.064 0.000 0.218 12 A C 2.179 179.493 177.584 -0.451 0.000 1.175 12 A CA 2.233 53.673 52.037 -0.995 0.000 0.628 12 A CB -0.483 17.867 19.000 -1.083 0.000 0.814 12 A HN 0.562 nan 8.150 nan 0.000 0.444 13 Q N -0.111 119.509 119.800 -0.299 0.000 2.083 13 Q HA 0.051 4.429 4.340 0.064 0.000 0.198 13 Q C 2.008 177.918 176.000 -0.150 0.000 0.969 13 Q CA 2.038 57.749 55.803 -0.154 0.000 0.838 13 Q CB -0.629 28.028 28.738 -0.134 0.000 0.900 13 Q HN 0.516 nan 8.270 nan 0.000 0.436 14 A N -0.545 122.100 122.820 -0.292 0.000 1.940 14 A HA -0.165 4.193 4.320 0.064 0.000 0.219 14 A C 1.481 178.986 177.584 -0.132 0.000 1.176 14 A CA 1.397 53.245 52.037 -0.315 0.000 0.631 14 A CB -0.875 17.770 19.000 -0.591 0.000 0.814 14 A HN 0.629 nan 8.150 nan 0.000 0.446 15 Y N -0.574 119.707 120.300 -0.031 0.000 2.470 15 Y HA 0.136 4.725 4.550 0.067 0.000 0.284 15 Y C 0.241 176.256 175.900 0.192 0.000 1.188 15 Y CA -0.121 58.048 58.100 0.116 0.000 1.269 15 Y CB -0.148 38.499 38.460 0.311 0.000 1.094 15 Y HN 0.442 nan 8.280 nan 0.000 0.518 16 Q N -0.154 119.788 119.800 0.236 0.000 2.439 16 Q HA -0.236 4.142 4.340 0.064 0.000 0.325 16 Q C -0.788 175.385 176.000 0.288 0.000 1.372 16 Q CA 0.057 55.971 55.803 0.186 0.000 0.909 16 Q CB -1.842 26.958 28.738 0.103 0.000 1.167 16 Q HN 0.313 nan 8.270 nan 0.000 0.418 17 F N 1.731 121.717 119.950 0.060 0.000 2.553 17 F HA 0.099 4.662 4.527 0.060 0.000 0.356 17 F C -1.207 174.603 175.800 0.018 0.000 1.142 17 F CA -1.808 56.223 58.000 0.051 0.000 1.322 17 F CB -0.062 38.980 39.000 0.071 0.000 1.126 17 F HN 0.080 nan 8.300 nan 0.000 0.599 18 P HA 0.005 nan 4.420 nan 0.000 0.271 18 P C -0.430 176.915 177.300 0.075 0.000 1.226 18 P CA -0.069 63.065 63.100 0.057 0.000 0.765 18 P CB 0.631 32.326 31.700 -0.009 0.000 0.835 19 E N 1.672 121.905 120.200 0.054 0.000 2.373 19 E HA 0.269 4.657 4.350 0.064 0.000 0.263 19 E C 1.424 178.040 176.600 0.028 0.000 1.073 19 E CA 0.209 56.636 56.400 0.044 0.000 0.894 19 E CB 0.237 29.955 29.700 0.030 0.000 1.008 19 E HN 0.776 nan 8.360 nan 0.000 0.420 20 G N 1.401 110.215 108.800 0.024 0.000 2.162 20 G HA2 -0.272 3.726 3.960 0.064 0.000 0.260 20 G HA3 -0.272 3.726 3.960 0.064 0.000 0.260 20 G C 0.004 174.911 174.900 0.013 0.000 0.976 20 G CA 0.360 45.468 45.100 0.014 0.000 0.655 20 G HN 0.308 nan 8.290 nan 0.000 0.533 21 L N 0.342 121.578 121.223 0.022 0.000 2.386 21 L HA 0.641 5.019 4.340 0.064 0.000 0.271 21 L C -0.036 176.852 176.870 0.030 0.000 0.993 21 L CA -0.439 54.412 54.840 0.018 0.000 0.819 21 L CB 2.042 44.107 42.059 0.010 0.000 1.294 21 L HN 0.191 nan 8.230 nan 0.000 0.414 22 D N 0.153 120.564 120.400 0.019 0.000 2.562 22 D HA 0.177 4.855 4.640 0.064 0.000 0.246 22 D C 0.927 177.235 176.300 0.013 0.000 1.347 22 D CA 0.361 54.374 54.000 0.022 0.000 0.800 22 D CB 0.952 41.755 40.800 0.004 0.000 1.111 22 D HN 0.689 nan 8.370 nan 0.000 0.508 23 G N 0.915 109.722 108.800 0.011 0.000 2.143 23 G HA2 -0.343 3.656 3.960 0.064 0.000 0.249 23 G HA3 -0.343 3.656 3.960 0.064 0.000 0.249 23 G C 0.164 175.065 174.900 0.001 0.000 0.981 23 G CA 0.262 45.365 45.100 0.007 0.000 0.665 23 G HN 0.620 nan 8.290 nan 0.000 0.528 24 Q N 0.007 119.806 119.800 -0.003 0.000 2.283 24 Q HA 0.422 4.800 4.340 0.064 0.000 0.301 24 Q C 1.597 177.598 176.000 0.000 0.000 1.063 24 Q CA 2.149 57.949 55.803 -0.004 0.000 0.952 24 Q CB 0.194 28.929 28.738 -0.005 0.000 1.166 24 Q HN 1.832 nan 8.270 nan 0.000 0.381 25 G N 2.565 111.367 108.800 0.003 0.000 2.195 25 G HA2 -0.199 3.800 3.960 0.064 0.000 0.246 25 G HA3 -0.199 3.800 3.960 0.064 0.000 0.246 25 G C -0.226 174.681 174.900 0.012 0.000 0.984 25 G CA 0.204 45.309 45.100 0.007 0.000 0.633 25 G HN 0.596 nan 8.290 nan 0.000 0.525 26 Q N -0.491 119.317 119.800 0.013 0.000 2.248 26 Q HA 0.661 5.039 4.340 0.064 0.000 0.263 26 Q C -0.267 175.751 176.000 0.031 0.000 1.007 26 Q CA -0.402 55.413 55.803 0.020 0.000 0.877 26 Q CB 2.108 30.854 28.738 0.015 0.000 1.315 26 Q HN 0.615 nan 8.270 nan 0.000 0.454 27 C N 2.568 121.895 119.300 0.044 0.000 2.396 27 C HA 0.629 5.127 4.460 0.064 0.000 0.321 27 C C -1.039 173.990 174.990 0.065 0.000 1.233 27 C CA -0.563 58.493 59.018 0.064 0.000 1.440 27 C CB 0.022 27.823 27.740 0.101 0.000 2.110 27 C HN 0.640 nan 8.230 nan 0.000 0.473 28 I N 5.581 126.188 120.570 0.062 0.000 2.354 28 I HA 0.471 4.679 4.170 0.064 0.000 0.292 28 I C 0.770 176.943 176.117 0.093 0.000 0.989 28 I CA -0.119 61.220 61.300 0.064 0.000 1.188 28 I CB 1.034 39.065 38.000 0.051 0.000 1.342 28 I HN 0.893 nan 8.210 nan 0.000 0.457 29 A N 7.869 130.758 122.820 0.114 0.000 2.309 29 A HA 0.759 5.117 4.320 0.064 0.000 0.298 29 A C -0.492 177.174 177.584 0.137 0.000 1.165 29 A CA -0.377 51.778 52.037 0.196 0.000 0.821 29 A CB 0.678 19.747 19.000 0.114 0.000 1.102 29 A HN 0.486 nan 8.150 nan 0.000 0.500 30 I N 3.507 124.179 120.570 0.170 0.000 2.465 30 I HA 0.320 4.528 4.170 0.064 0.000 0.291 30 I C -0.511 175.672 176.117 0.110 0.000 1.014 30 I CA -0.853 60.510 61.300 0.104 0.000 1.093 30 I CB 1.540 39.569 38.000 0.049 0.000 1.267 30 I HN 0.392 nan 8.210 nan 0.000 0.431 31 I N 5.640 126.271 120.570 0.101 0.000 2.353 31 I HA 0.376 4.585 4.170 0.064 0.000 0.293 31 I C 0.271 176.349 176.117 -0.066 0.000 0.992 31 I CA -0.418 60.905 61.300 0.039 0.000 1.268 31 I CB 0.893 38.969 38.000 0.127 0.000 1.387 31 I HN 0.439 nan 8.210 nan 0.000 0.478 32 E N 6.663 126.682 120.200 -0.302 0.000 2.272 32 E HA 0.399 4.787 4.350 0.064 0.000 0.269 32 E C -0.151 176.050 176.600 -0.664 0.000 0.877 32 E CA -0.520 55.635 56.400 -0.408 0.000 0.755 32 E CB 2.817 32.323 29.700 -0.323 0.000 1.192 32 E HN 0.458 nan 8.360 nan 0.000 0.422 33 L N 0.540 120.955 121.223 -1.347 0.000 2.857 33 L HA 0.471 4.849 4.340 0.064 0.000 0.249 33 L C 0.712 177.233 176.870 -0.581 0.000 1.172 33 L CA -0.195 53.997 54.840 -1.080 0.000 0.980 33 L CB 0.598 41.766 42.059 -1.485 0.000 1.299 33 L HN 0.576 nan 8.230 nan 0.000 0.535 34 G N -1.581 107.112 108.800 -0.178 0.000 2.451 34 G HA2 0.468 4.466 3.960 0.064 0.000 0.292 34 G HA3 0.468 4.466 3.960 0.064 0.000 0.292 34 G C -0.305 174.798 174.900 0.339 0.000 1.427 34 G CA -0.017 45.175 45.100 0.153 0.000 0.792 34 G HN 0.198 nan 8.290 nan 0.000 0.498 35 G N -1.310 107.626 108.800 0.227 0.000 2.601 35 G HA2 0.520 4.518 3.960 0.064 0.000 0.252 35 G HA3 0.520 4.518 3.960 0.064 0.000 0.252 35 G C 0.678 175.676 174.900 0.164 0.000 1.294 35 G CA 0.982 46.200 45.100 0.197 0.000 0.912 35 G HN 2.683 nan 8.290 nan 0.000 0.574 36 G N -2.660 106.242 108.800 0.170 0.000 2.430 36 G HA2 0.851 4.849 3.960 0.064 0.000 0.300 36 G HA3 0.851 4.849 3.960 0.064 0.000 0.300 36 G C -1.040 173.967 174.900 0.180 0.000 1.330 36 G CA 0.269 45.422 45.100 0.087 0.000 0.813 36 G HN 2.186 nan 8.290 nan 0.000 0.487 37 Y N -0.457 119.902 120.300 0.099 0.000 2.602 37 Y HA 0.806 5.394 4.550 0.063 0.000 0.342 37 Y C -0.863 175.052 175.900 0.026 0.000 1.029 37 Y CA -1.398 56.742 58.100 0.068 0.000 1.080 37 Y CB 1.969 40.491 38.460 0.102 0.000 1.284 37 Y HN 0.620 nan 8.280 nan 0.000 0.485 38 D N 0.588 121.106 120.400 0.197 0.000 2.498 38 D HA 0.192 4.870 4.640 0.064 0.000 0.247 38 D C -0.344 176.079 176.300 0.205 0.000 1.070 38 D CA -0.646 53.414 54.000 0.100 0.000 0.842 38 D CB 2.347 43.168 40.800 0.035 0.000 1.361 38 D HN 0.662 nan 8.370 nan 0.000 0.484 39 E N 0.930 121.240 120.200 0.182 0.000 2.160 39 E HA -0.129 4.259 4.350 0.064 0.000 0.195 39 E C 1.708 178.373 176.600 0.108 0.000 0.991 39 E CA 1.535 58.041 56.400 0.177 0.000 0.810 39 E CB -0.228 29.558 29.700 0.143 0.000 0.742 39 E HN 0.568 nan 8.360 nan 0.000 0.466 40 T N -0.187 114.411 114.554 0.073 0.000 2.684 40 T HA -0.144 4.244 4.350 0.064 0.000 0.267 40 T C 2.007 176.728 174.700 0.034 0.000 1.036 40 T CA 1.565 63.694 62.100 0.048 0.000 1.148 40 T CB -0.333 68.554 68.868 0.032 0.000 0.863 40 T HN 0.104 nan 8.240 nan 0.000 0.436 41 S N 1.192 116.906 115.700 0.024 0.000 2.368 41 S HA 0.047 4.555 4.470 0.064 0.000 0.225 41 S C 2.061 176.629 174.600 -0.054 0.000 1.030 41 S CA 0.834 59.026 58.200 -0.013 0.000 0.999 41 S CB -0.441 62.739 63.200 -0.033 0.000 0.844 41 S HN 0.350 nan 8.310 nan 0.000 0.459 42 L N 0.996 122.185 121.223 -0.057 0.000 2.027 42 L HA -0.108 4.270 4.340 0.064 0.000 0.206 42 L C 2.842 179.653 176.870 -0.099 0.000 1.074 42 L CA 1.270 56.002 54.840 -0.180 0.000 0.745 42 L CB -0.814 41.224 42.059 -0.034 0.000 0.898 42 L HN 0.325 nan 8.230 nan 0.000 0.433 43 A N -0.284 122.574 122.820 0.063 0.000 1.877 43 A HA -0.278 4.081 4.320 0.064 0.000 0.216 43 A C 2.281 179.914 177.584 0.082 0.000 1.186 43 A CA 1.821 53.932 52.037 0.123 0.000 0.620 43 A CB -0.648 18.415 19.000 0.105 0.000 0.822 43 A HN 0.499 nan 8.150 nan 0.000 0.443 44 Q N -1.706 118.123 119.800 0.047 0.000 2.030 44 Q HA -0.269 4.109 4.340 0.064 0.000 0.204 44 Q C 1.992 178.017 176.000 0.042 0.000 0.986 44 Q CA 2.261 58.090 55.803 0.043 0.000 0.843 44 Q CB -0.414 28.348 28.738 0.039 0.000 0.904 44 Q HN 0.746 nan 8.270 nan 0.000 0.420 45 Y N -0.104 120.105 120.300 -0.152 0.000 2.097 45 Y HA -0.289 4.299 4.550 0.064 0.000 0.282 45 Y C 1.827 177.646 175.900 -0.135 0.000 1.152 45 Y CA 2.033 60.004 58.100 -0.215 0.000 1.136 45 Y CB -0.284 37.931 38.460 -0.408 0.000 0.975 45 Y HN 0.172 nan 8.280 nan 0.000 0.498 46 F N -0.174 119.811 119.950 0.058 0.000 2.171 46 F HA -0.175 4.388 4.527 0.061 0.000 0.300 46 F C 2.541 178.297 175.800 -0.075 0.000 1.090 46 F CA 0.981 58.957 58.000 -0.040 0.000 1.293 46 F CB -1.466 37.555 39.000 0.034 0.000 1.013 46 F HN 0.153 nan 8.300 nan 0.000 0.486 47 A N 0.097 122.999 122.820 0.137 0.000 1.877 47 A HA -0.194 4.164 4.320 0.064 0.000 0.216 47 A C 2.428 180.012 177.584 0.001 0.000 1.186 47 A CA 2.134 54.209 52.037 0.064 0.000 0.620 47 A CB -1.292 17.742 19.000 0.057 0.000 0.822 47 A HN 0.401 nan 8.150 nan 0.000 0.443 48 S N -0.053 115.623 115.700 -0.041 0.000 2.400 48 S HA -0.088 4.420 4.470 0.064 0.000 0.232 48 S C 1.573 176.104 174.600 -0.115 0.000 1.025 48 S CA 1.587 59.739 58.200 -0.080 0.000 0.993 48 S CB -0.590 62.548 63.200 -0.102 0.000 0.808 48 S HN 0.434 nan 8.310 nan 0.000 0.478 49 L N 0.919 122.047 121.223 -0.159 0.000 2.592 49 L HA 0.318 4.696 4.340 0.064 0.000 0.227 49 L C 1.759 178.593 176.870 -0.060 0.000 1.127 49 L CA 0.279 55.034 54.840 -0.142 0.000 0.884 49 L CB -0.624 41.305 42.059 -0.217 0.000 1.065 49 L HN 0.606 nan 8.230 nan 0.000 0.457 50 G N 1.177 109.959 108.800 -0.031 0.000 2.160 50 G HA2 -0.254 3.744 3.960 0.064 0.000 0.251 50 G HA3 -0.254 3.744 3.960 0.064 0.000 0.251 50 G C 0.200 175.096 174.900 -0.006 0.000 1.008 50 G CA 0.380 45.472 45.100 -0.014 0.000 0.724 50 G HN 0.299 nan 8.290 nan 0.000 0.514 51 V N -2.508 117.409 119.914 0.006 0.000 2.732 51 V HA 0.884 5.042 4.120 0.064 0.000 0.310 51 V C 0.687 176.768 176.094 -0.021 0.000 1.053 51 V CA -0.225 62.067 62.300 -0.013 0.000 0.957 51 V CB 1.894 33.702 31.823 -0.025 0.000 1.018 51 V HN 0.940 nan 8.190 nan 0.000 0.452 52 S N 3.266 118.936 115.700 -0.049 0.000 2.488 52 S HA 0.538 5.046 4.470 0.064 0.000 0.278 52 S C 0.569 175.092 174.600 -0.128 0.000 1.259 52 S CA 0.015 58.183 58.200 -0.053 0.000 1.061 52 S CB -0.302 62.870 63.200 -0.046 0.000 0.910 52 S HN 1.871 nan 8.310 nan 0.000 0.491 53 A N 7.861 130.623 122.820 -0.097 0.000 2.548 53 A HA 0.373 4.731 4.320 0.064 0.000 0.247 53 A C -1.778 175.651 177.584 -0.258 0.000 1.067 53 A CA -0.908 50.994 52.037 -0.225 0.000 0.757 53 A CB -0.312 18.727 19.000 0.065 0.000 0.996 53 A HN 0.738 nan 8.150 nan 0.000 0.504 54 P HA 0.182 nan 4.420 nan 0.000 0.274 54 P C -0.809 176.418 177.300 -0.121 0.000 1.237 54 P CA -0.371 62.580 63.100 -0.248 0.000 0.793 54 P CB 0.547 32.068 31.700 -0.298 0.000 0.977 55 Q N 0.065 119.832 119.800 -0.055 0.000 2.314 55 Q HA 0.477 4.855 4.340 0.064 0.000 0.258 55 Q C -0.884 175.113 176.000 -0.005 0.000 0.954 55 Q CA -0.719 55.082 55.803 -0.005 0.000 0.890 55 Q CB 0.563 29.312 28.738 0.019 0.000 1.210 55 Q HN 0.119 nan 8.270 nan 0.000 0.410 56 V N 3.693 123.616 119.914 0.015 0.000 2.487 56 V HA 0.549 4.707 4.120 0.064 0.000 0.298 56 V C -0.230 175.891 176.094 0.046 0.000 1.028 56 V CA -0.767 61.524 62.300 -0.015 0.000 0.860 56 V CB 1.542 33.308 31.823 -0.096 0.000 0.991 56 V HN 0.755 nan 8.190 nan 0.000 0.427 57 V N 1.751 121.678 119.914 0.021 0.000 2.962 57 V HA 0.824 4.982 4.120 0.064 0.000 0.313 57 V C -0.241 175.874 176.094 0.035 0.000 1.099 57 V CA -0.451 61.881 62.300 0.055 0.000 0.971 57 V CB 2.217 34.045 31.823 0.008 0.000 1.028 57 V HN 0.674 nan 8.190 nan 0.000 0.430 58 S N 1.899 117.674 115.700 0.124 0.000 2.525 58 S HA 0.818 5.327 4.470 0.064 0.000 0.290 58 S C -0.479 174.105 174.600 -0.025 0.000 1.152 58 S CA -0.556 57.740 58.200 0.160 0.000 1.072 58 S CB 1.640 65.019 63.200 0.299 0.000 1.027 58 S HN 0.835 nan 8.310 nan 0.000 0.500 59 V N 2.294 122.137 119.914 -0.118 0.000 2.531 59 V HA 0.468 4.626 4.120 0.064 0.000 0.301 59 V C 0.040 176.165 176.094 0.051 0.000 1.034 59 V CA -0.722 61.486 62.300 -0.154 0.000 0.865 59 V CB 1.868 33.361 31.823 -0.550 0.000 0.995 59 V HN 0.848 nan 8.190 nan 0.000 0.424 60 S N 4.333 120.085 115.700 0.087 0.000 2.489 60 S HA 0.622 5.131 4.470 0.064 0.000 0.277 60 S C -0.614 174.063 174.600 0.128 0.000 1.230 60 S CA -0.366 57.904 58.200 0.117 0.000 1.053 60 S CB 0.886 64.126 63.200 0.066 0.000 0.955 60 S HN 0.511 nan 8.310 nan 0.000 0.488 61 V N 5.257 125.258 119.914 0.145 0.000 2.448 61 V HA 0.372 4.530 4.120 0.064 0.000 0.295 61 V C -0.467 175.682 176.094 0.092 0.000 1.025 61 V CA -0.662 61.717 62.300 0.133 0.000 0.859 61 V CB 1.500 33.420 31.823 0.160 0.000 0.988 61 V HN 1.022 nan 8.190 nan 0.000 0.431 62 D N 4.113 124.557 120.400 0.074 0.000 2.751 62 D HA -0.195 4.483 4.640 0.064 0.000 0.233 62 D C 1.330 177.655 176.300 0.041 0.000 1.149 62 D CA 1.780 55.811 54.000 0.053 0.000 0.682 62 D CB -1.173 39.657 40.800 0.050 0.000 1.068 62 D HN 1.434 nan 8.370 nan 0.000 0.429 63 G N -1.701 107.123 108.800 0.041 0.000 2.184 63 G HA2 -0.155 3.843 3.960 0.064 0.000 0.264 63 G HA3 -0.155 3.843 3.960 0.064 0.000 0.264 63 G C 0.529 175.440 174.900 0.019 0.000 0.975 63 G CA 0.730 45.846 45.100 0.025 0.000 0.642 63 G HN 1.254 nan 8.290 nan 0.000 0.536 64 A N 0.030 122.874 122.820 0.039 0.000 2.340 64 A HA 0.857 5.215 4.320 0.064 0.000 0.268 64 A C 0.718 178.318 177.584 0.025 0.000 1.100 64 A CA 1.229 53.288 52.037 0.036 0.000 0.803 64 A CB 0.674 19.721 19.000 0.079 0.000 1.043 64 A HN 1.857 nan 8.150 nan 0.000 0.488 65 T N -1.045 113.454 114.554 -0.092 0.000 2.812 65 T HA 0.445 4.833 4.350 0.064 0.000 0.294 65 T C -0.406 173.849 174.700 -0.741 0.000 1.159 65 T CA -0.922 61.029 62.100 -0.249 0.000 1.008 65 T CB 0.907 69.661 68.868 -0.191 0.000 1.289 65 T HN 0.538 nan 8.240 nan 0.000 0.514 66 N N 1.932 120.024 118.700 -1.014 0.000 2.416 66 N HA 0.113 4.892 4.740 0.064 0.000 0.271 66 N C -0.781 174.300 175.510 -0.715 0.000 1.245 66 N CA 0.144 52.345 53.050 -1.415 0.000 0.940 66 N CB -0.228 37.685 38.487 -0.956 0.000 1.175 66 N HN 0.462 nan 8.380 nan 0.000 0.483 67 Q N 4.467 123.926 119.800 -0.569 0.000 3.090 67 Q HA 0.315 4.693 4.340 0.064 0.000 0.241 67 Q C -2.522 173.375 176.000 -0.172 0.000 0.958 67 Q CA -1.565 54.064 55.803 -0.290 0.000 0.715 67 Q CB 1.572 30.184 28.738 -0.209 0.000 1.298 67 Q HN 0.578 nan 8.270 nan 0.000 0.468 68 P HA -0.010 nan 4.420 nan 0.000 0.268 68 P C 0.920 178.196 177.300 -0.041 0.000 1.204 68 P CA 0.257 63.320 63.100 -0.061 0.000 0.768 68 P CB 0.856 32.522 31.700 -0.057 0.000 0.842 69 T N -1.130 113.419 114.554 -0.009 0.000 3.067 69 T HA 0.185 4.573 4.350 0.064 0.000 0.257 69 T C 1.417 176.113 174.700 -0.006 0.000 1.105 69 T CA 0.902 62.998 62.100 -0.006 0.000 1.104 69 T CB -0.762 68.112 68.868 0.011 0.000 0.925 69 T HN 0.629 nan 8.240 nan 0.000 0.498 70 G N 1.229 110.027 108.800 -0.004 0.000 2.195 70 G HA2 -0.227 3.772 3.960 0.064 0.000 0.246 70 G HA3 -0.227 3.772 3.960 0.064 0.000 0.246 70 G C -0.172 174.727 174.900 -0.001 0.000 0.984 70 G CA 0.098 45.196 45.100 -0.005 0.000 0.633 70 G HN 0.741 nan 8.290 nan 0.000 0.525 71 D N 1.351 121.753 120.400 0.004 0.000 2.339 71 D HA 0.436 5.114 4.640 0.064 0.000 0.241 71 D C -0.158 176.144 176.300 0.002 0.000 1.183 71 D CA -1.944 52.058 54.000 0.003 0.000 0.859 71 D CB 1.456 42.260 40.800 0.007 0.000 1.067 71 D HN 0.168 nan 8.370 nan 0.000 0.484 72 P HA -0.098 nan 4.420 nan 0.000 0.225 72 P C 0.409 177.703 177.300 -0.011 0.000 1.148 72 P CA 0.617 63.711 63.100 -0.010 0.000 0.779 72 P CB 0.485 32.177 31.700 -0.014 0.000 0.780 73 N N -0.391 118.305 118.700 -0.006 0.000 2.280 73 N HA 0.067 4.846 4.740 0.064 0.000 0.192 73 N C 1.222 176.730 175.510 -0.004 0.000 1.109 73 N CA 0.267 53.313 53.050 -0.007 0.000 0.855 73 N CB 0.498 38.984 38.487 -0.002 0.000 0.974 73 N HN 0.179 nan 8.380 nan 0.000 0.482 74 G N 1.387 110.189 108.800 0.003 0.000 2.606 74 G HA2 0.200 4.198 3.960 0.064 0.000 0.262 74 G HA3 0.200 4.198 3.960 0.064 0.000 0.262 74 G C -1.423 173.487 174.900 0.016 0.000 1.394 74 G CA -0.594 44.514 45.100 0.014 0.000 1.044 74 G HN -0.088 nan 8.290 nan 0.000 0.553 75 P HA -0.059 nan 4.420 nan 0.000 0.222 75 P C 0.488 177.853 177.300 0.108 0.000 1.147 75 P CA 1.001 64.155 63.100 0.090 0.000 0.790 75 P CB 0.200 32.038 31.700 0.231 0.000 0.780 76 D N 0.355 120.808 120.400 0.088 0.000 2.178 76 D HA -0.103 4.575 4.640 0.064 0.000 0.201 76 D C 2.342 178.670 176.300 0.047 0.000 0.980 76 D CA 1.555 55.610 54.000 0.091 0.000 0.842 76 D CB -1.068 39.766 40.800 0.057 0.000 0.948 76 D HN 0.216 nan 8.370 nan 0.000 0.472 77 G N 0.653 109.455 108.800 0.004 0.000 2.440 77 G HA2 -0.314 3.685 3.960 0.064 0.000 0.218 77 G HA3 -0.314 3.685 3.960 0.064 0.000 0.218 77 G C 1.636 176.502 174.900 -0.056 0.000 1.154 77 G CA 0.983 46.061 45.100 -0.036 0.000 0.767 77 G HN 0.270 nan 8.290 nan 0.000 0.552 78 E N 0.223 120.384 120.200 -0.066 0.000 2.028 78 E HA -0.086 4.302 4.350 0.064 0.000 0.191 78 E C 2.665 179.263 176.600 -0.003 0.000 0.988 78 E CA 1.191 57.525 56.400 -0.110 0.000 0.799 78 E CB -0.468 29.070 29.700 -0.271 0.000 0.755 78 E HN 0.179 nan 8.360 nan 0.000 0.447 79 V N 1.111 121.093 119.914 0.114 0.000 2.255 79 V HA -0.264 3.894 4.120 0.064 0.000 0.247 79 V C 2.244 178.394 176.094 0.094 0.000 1.051 79 V CA 2.400 64.810 62.300 0.184 0.000 1.018 79 V CB -0.608 31.419 31.823 0.341 0.000 0.641 79 V HN 0.323 nan 8.190 nan 0.000 0.445 80 E N -0.276 119.957 120.200 0.055 0.000 2.107 80 E HA -0.195 4.193 4.350 0.064 0.000 0.191 80 E C 2.127 178.649 176.600 -0.129 0.000 0.982 80 E CA 1.121 57.499 56.400 -0.036 0.000 0.809 80 E CB -0.198 29.473 29.700 -0.047 0.000 0.756 80 E HN 0.460 nan 8.360 nan 0.000 0.459 81 L N 1.797 122.946 121.223 -0.124 0.000 2.012 81 L HA -0.209 4.170 4.340 0.064 0.000 0.210 81 L C 1.472 178.255 176.870 -0.145 0.000 1.073 81 L CA 1.952 56.690 54.840 -0.169 0.000 0.748 81 L CB -0.300 41.662 42.059 -0.162 0.000 0.891 81 L HN -0.046 nan 8.230 nan 0.000 0.431 82 D N -0.119 120.228 120.400 -0.088 0.000 2.097 82 D HA -0.172 4.506 4.640 0.064 0.000 0.195 82 D C 2.296 178.580 176.300 -0.027 0.000 0.989 82 D CA 1.565 55.532 54.000 -0.055 0.000 0.827 82 D CB -0.159 40.640 40.800 -0.001 0.000 0.966 82 D HN 0.317 nan 8.370 nan 0.000 0.456 83 I N 1.202 121.757 120.570 -0.026 0.000 2.252 83 I HA -0.141 4.067 4.170 0.064 0.000 0.245 83 I C 2.153 178.340 176.117 0.116 0.000 1.102 83 I CA 1.000 62.307 61.300 0.012 0.000 1.385 83 I CB -0.953 37.002 38.000 -0.075 0.000 1.064 83 I HN 0.083 nan 8.210 nan 0.000 0.414 84 E N 0.425 120.614 120.200 -0.019 0.000 2.072 84 E HA -0.135 4.254 4.350 0.064 0.000 0.191 84 E C 2.399 179.122 176.600 0.205 0.000 0.985 84 E CA 1.018 57.412 56.400 -0.010 0.000 0.801 84 E CB 0.045 29.404 29.700 -0.568 0.000 0.750 84 E HN 0.234 nan 8.360 nan 0.000 0.452 85 V N 1.254 121.192 119.914 0.040 0.000 2.270 85 V HA -0.230 3.928 4.120 0.064 0.000 0.245 85 V C 2.292 178.441 176.094 0.091 0.000 1.043 85 V CA 1.871 64.189 62.300 0.029 0.000 1.014 85 V CB -0.621 31.095 31.823 -0.178 0.000 0.645 85 V HN 0.306 nan 8.190 nan 0.000 0.447 86 A N 0.427 123.292 122.820 0.074 0.000 1.898 86 A HA -0.052 4.306 4.320 0.064 0.000 0.216 86 A C 2.376 180.025 177.584 0.107 0.000 1.181 86 A CA 1.858 53.949 52.037 0.090 0.000 0.620 86 A CB -1.157 17.880 19.000 0.062 0.000 0.819 86 A HN 0.531 nan 8.150 nan 0.000 0.442 87 G N -0.759 108.134 108.800 0.155 0.000 2.422 87 G HA2 0.095 4.094 3.960 0.064 0.000 0.218 87 G HA3 0.095 4.094 3.960 0.064 0.000 0.218 87 G C 1.618 176.516 174.900 -0.004 0.000 1.140 87 G CA 1.172 46.295 45.100 0.039 0.000 0.775 87 G HN 0.756 nan 8.290 nan 0.000 0.545 88 A N -0.042 122.967 122.820 0.314 0.000 2.014 88 A HA 0.252 4.610 4.320 0.064 0.000 0.218 88 A C 2.093 179.741 177.584 0.107 0.000 1.163 88 A CA 0.928 53.124 52.037 0.265 0.000 0.652 88 A CB -0.116 19.103 19.000 0.365 0.000 0.808 88 A HN 0.291 nan 8.150 nan 0.000 0.449 89 L N -1.953 119.340 121.223 0.116 0.000 2.513 89 L HA 0.358 4.737 4.340 0.064 0.000 0.222 89 L C 1.308 178.257 176.870 0.131 0.000 1.096 89 L CA 1.012 55.928 54.840 0.126 0.000 0.857 89 L CB -0.093 42.074 42.059 0.180 0.000 1.026 89 L HN 0.336 nan 8.230 nan 0.000 0.469 90 A N -0.259 122.605 122.820 0.074 0.000 3.355 90 A HA 0.474 4.832 4.320 0.064 0.000 0.290 90 A C -1.714 175.851 177.584 -0.031 0.000 0.973 90 A CA -0.550 51.511 52.037 0.041 0.000 0.933 90 A CB 0.031 19.062 19.000 0.053 0.000 1.138 90 A HN 0.024 nan 8.150 nan 0.000 0.490 91 P HA -0.105 nan 4.420 nan 0.000 0.225 91 P C 1.390 178.619 177.300 -0.119 0.000 1.148 91 P CA 1.674 64.674 63.100 -0.167 0.000 0.779 91 P CB 0.127 31.719 31.700 -0.180 0.000 0.780 92 G N -0.207 108.556 108.800 -0.061 0.000 2.712 92 G HA2 0.180 4.178 3.960 0.064 0.000 0.212 92 G HA3 0.180 4.178 3.960 0.064 0.000 0.212 92 G C 0.786 175.667 174.900 -0.032 0.000 1.142 92 G CA 0.360 45.435 45.100 -0.041 0.000 0.789 92 G HN 0.476 nan 8.290 nan 0.000 0.535 93 A N 0.113 122.914 122.820 -0.031 0.000 2.304 93 A HA 0.620 4.978 4.320 0.064 0.000 0.271 93 A C 0.167 177.739 177.584 -0.019 0.000 1.091 93 A CA -0.387 51.643 52.037 -0.013 0.000 0.812 93 A CB 0.593 19.593 19.000 0.001 0.000 1.056 93 A HN 0.243 nan 8.150 nan 0.000 0.489 94 K N 0.760 121.164 120.400 0.007 0.000 2.172 94 K HA 0.517 4.875 4.320 0.064 0.000 0.276 94 K C -1.174 175.437 176.600 0.018 0.000 1.013 94 K CA 0.070 56.366 56.287 0.015 0.000 0.913 94 K CB 1.320 33.850 32.500 0.050 0.000 1.055 94 K HN 0.567 nan 8.250 nan 0.000 0.461 95 I N 2.091 122.659 120.570 -0.003 0.000 2.377 95 I HA 0.309 4.518 4.170 0.064 0.000 0.293 95 I C -0.374 175.718 176.117 -0.041 0.000 0.987 95 I CA -0.546 60.748 61.300 -0.009 0.000 1.185 95 I CB 1.826 39.809 38.000 -0.028 0.000 1.341 95 I HN 0.596 nan 8.210 nan 0.000 0.455 96 A N 6.542 129.336 122.820 -0.042 0.000 2.319 96 A HA 0.726 5.084 4.320 0.064 0.000 0.310 96 A C -0.826 176.662 177.584 -0.159 0.000 1.152 96 A CA -0.501 51.411 52.037 -0.207 0.000 0.783 96 A CB 1.090 19.919 19.000 -0.285 0.000 1.184 96 A HN 0.430 nan 8.150 nan 0.000 0.474 97 V N 3.481 123.251 119.914 -0.239 0.000 2.350 97 V HA 0.280 4.438 4.120 0.064 0.000 0.276 97 V C -1.124 174.741 176.094 -0.383 0.000 1.028 97 V CA -0.349 61.832 62.300 -0.198 0.000 0.860 97 V CB 0.242 32.022 31.823 -0.072 0.000 0.990 97 V HN 0.715 nan 8.190 nan 0.000 0.453 98 Y N 4.716 124.857 120.300 -0.266 0.000 2.367 98 Y HA 0.567 5.157 4.550 0.066 0.000 0.342 98 Y C -0.123 175.571 175.900 -0.343 0.000 0.979 98 Y CA -0.802 57.190 58.100 -0.180 0.000 1.161 98 Y CB 0.787 39.202 38.460 -0.075 0.000 1.155 98 Y HN 0.502 nan 8.280 nan 0.000 0.503 99 F N 2.423 122.418 119.950 0.075 0.000 2.420 99 F HA 0.733 5.301 4.527 0.069 0.000 0.342 99 F C 0.346 176.146 175.800 0.001 0.000 1.113 99 F CA -0.571 57.435 58.000 0.010 0.000 1.059 99 F CB 1.252 40.245 39.000 -0.012 0.000 1.128 99 F HN 0.526 nan 8.300 nan 0.000 0.475 100 A N 4.231 127.101 122.820 0.084 0.000 2.527 100 A HA 0.859 5.218 4.320 0.064 0.000 0.293 100 A C -2.941 174.625 177.584 -0.030 0.000 1.117 100 A CA -2.082 49.976 52.037 0.035 0.000 0.723 100 A CB 1.468 20.480 19.000 0.020 0.000 1.313 100 A HN 0.424 nan 8.150 nan 0.000 0.411 101 P HA 0.099 nan 4.420 nan 0.000 0.269 101 P C -0.574 176.677 177.300 -0.083 0.000 1.215 101 P CA -0.178 62.903 63.100 -0.032 0.000 0.780 101 P CB 0.409 32.108 31.700 -0.001 0.000 0.898 102 N N 1.797 120.439 118.700 -0.096 0.000 3.124 102 N HA 0.104 4.883 4.740 0.064 0.000 0.284 102 N C -0.831 174.648 175.510 -0.052 0.000 1.209 102 N CA 0.123 53.095 53.050 -0.130 0.000 1.149 102 N CB -0.711 37.708 38.487 -0.113 0.000 1.434 102 N HN 0.408 nan 8.380 nan 0.000 0.529 103 T N -2.220 112.328 114.554 -0.011 0.000 2.841 103 T HA 0.330 4.718 4.350 0.064 0.000 0.296 103 T C 0.619 175.386 174.700 0.112 0.000 1.166 103 T CA -0.707 61.410 62.100 0.029 0.000 1.007 103 T CB 1.252 70.140 68.868 0.033 0.000 1.253 103 T HN -0.149 nan 8.240 nan 0.000 0.511 104 D N 0.797 121.270 120.400 0.121 0.000 2.117 104 D HA -0.002 4.676 4.640 0.064 0.000 0.197 104 D C 2.298 178.737 176.300 0.232 0.000 0.987 104 D CA 1.888 56.032 54.000 0.239 0.000 0.829 104 D CB -0.619 40.305 40.800 0.206 0.000 0.961 104 D HN 0.748 nan 8.370 nan 0.000 0.460 105 A N 0.495 123.400 122.820 0.142 0.000 1.930 105 A HA 0.034 4.392 4.320 0.064 0.000 0.217 105 A C 2.356 180.014 177.584 0.124 0.000 1.175 105 A CA 1.909 54.013 52.037 0.112 0.000 0.627 105 A CB -0.998 18.045 19.000 0.071 0.000 0.815 105 A HN 0.299 nan 8.150 nan 0.000 0.443 106 G N -1.410 107.463 108.800 0.121 0.000 2.418 106 G HA2 -0.228 3.770 3.960 0.064 0.000 0.217 106 G HA3 -0.228 3.770 3.960 0.064 0.000 0.217 106 G C 1.557 176.565 174.900 0.179 0.000 1.158 106 G CA 0.970 46.133 45.100 0.106 0.000 0.771 106 G HN 0.517 nan 8.290 nan 0.000 0.545 107 F N 0.219 120.198 119.950 0.049 0.000 2.102 107 F HA -0.079 4.478 4.527 0.050 0.000 0.298 107 F C 2.448 178.293 175.800 0.074 0.000 1.105 107 F CA 0.865 58.912 58.000 0.078 0.000 1.239 107 F CB 0.073 39.198 39.000 0.208 0.000 0.991 107 F HN 0.173 nan 8.300 nan 0.000 0.474 108 L N 1.180 122.544 121.223 0.235 0.000 2.012 108 L HA -0.280 4.098 4.340 0.064 0.000 0.210 108 L C 1.640 178.538 176.870 0.046 0.000 1.073 108 L CA 2.245 57.109 54.840 0.041 0.000 0.748 108 L CB -1.180 40.894 42.059 0.025 0.000 0.891 108 L HN 0.113 nan 8.230 nan 0.000 0.431 109 N N -0.619 118.131 118.700 0.083 0.000 2.223 109 N HA -0.140 4.638 4.740 0.064 0.000 0.185 109 N C 1.816 177.371 175.510 0.075 0.000 1.016 109 N CA 0.887 53.977 53.050 0.068 0.000 0.863 109 N CB -0.247 38.284 38.487 0.073 0.000 0.983 109 N HN 0.540 nan 8.380 nan 0.000 0.429 110 A N 1.260 124.143 122.820 0.106 0.000 1.898 110 A HA -0.078 4.280 4.320 0.064 0.000 0.216 110 A C 2.114 179.685 177.584 -0.022 0.000 1.181 110 A CA 0.943 53.030 52.037 0.083 0.000 0.620 110 A CB -0.511 18.557 19.000 0.113 0.000 0.819 110 A HN 0.158 nan 8.150 nan 0.000 0.442 111 I N 0.259 120.848 120.570 0.032 0.000 2.179 111 I HA -0.233 3.975 4.170 0.064 0.000 0.242 111 I C 2.876 178.951 176.117 -0.071 0.000 1.088 111 I CA 1.884 63.169 61.300 -0.026 0.000 1.357 111 I CB -0.512 37.467 38.000 -0.035 0.000 1.051 111 I HN 0.537 nan 8.210 nan 0.000 0.409 112 T N -2.805 111.736 114.554 -0.020 0.000 2.904 112 T HA -0.112 4.276 4.350 0.064 0.000 0.267 112 T C 1.808 176.580 174.700 0.120 0.000 1.059 112 T CA 1.630 63.780 62.100 0.084 0.000 1.137 112 T CB -0.742 68.178 68.868 0.088 0.000 0.879 112 T HN 0.207 nan 8.240 nan 0.000 0.467 113 T N 2.142 116.718 114.554 0.037 0.000 2.708 113 T HA 0.107 4.496 4.350 0.064 0.000 0.266 113 T C 2.482 177.159 174.700 -0.038 0.000 1.037 113 T CA 1.317 63.457 62.100 0.065 0.000 1.146 113 T CB -0.825 68.121 68.868 0.130 0.000 0.865 113 T HN 0.603 nan 8.240 nan 0.000 0.435 114 A N 1.012 123.593 122.820 -0.397 0.000 1.877 114 A HA -0.048 4.310 4.320 0.064 0.000 0.216 114 A C 2.594 180.037 177.584 -0.235 0.000 1.186 114 A CA 1.395 53.028 52.037 -0.672 0.000 0.620 114 A CB -1.117 17.216 19.000 -1.112 0.000 0.822 114 A HN 0.331 nan 8.150 nan 0.000 0.443 115 V N -0.265 119.520 119.914 -0.214 0.000 2.332 115 V HA -0.278 3.880 4.120 0.064 0.000 0.248 115 V C 1.977 177.877 176.094 -0.323 0.000 1.055 115 V CA 2.421 64.558 62.300 -0.272 0.000 1.038 115 V CB -1.023 30.573 31.823 -0.379 0.000 0.651 115 V HN 0.774 nan 8.190 nan 0.000 0.450 116 H N -1.737 117.320 119.070 -0.022 0.000 2.529 116 H HA 0.187 4.782 4.556 0.064 0.000 0.277 116 H C 0.508 175.858 175.328 0.036 0.000 1.004 116 H CA -0.327 55.723 56.048 0.003 0.000 1.167 116 H CB 0.008 29.767 29.762 -0.005 0.000 1.445 116 H HN 0.257 nan 8.280 nan 0.000 0.554 117 D N 2.683 123.166 120.400 0.139 0.000 2.368 117 D HA -0.039 4.639 4.640 0.064 0.000 0.268 117 D C -1.392 174.983 176.300 0.124 0.000 1.298 117 D CA -1.621 52.486 54.000 0.179 0.000 0.938 117 D CB 1.098 42.078 40.800 0.301 0.000 1.101 117 D HN 0.235 nan 8.370 nan 0.000 0.509 118 P HA -0.004 nan 4.420 nan 0.000 0.245 118 P C 0.899 178.197 177.300 -0.002 0.000 1.206 118 P CA 0.315 63.442 63.100 0.044 0.000 0.781 118 P CB 0.618 32.342 31.700 0.039 0.000 0.994 119 T N -1.321 113.208 114.554 -0.042 0.000 2.953 119 T HA 0.020 4.409 4.350 0.064 0.000 0.247 119 T C 1.594 176.118 174.700 -0.293 0.000 1.029 119 T CA 0.938 62.913 62.100 -0.209 0.000 1.144 119 T CB -0.427 68.232 68.868 -0.348 0.000 0.870 119 T HN 0.253 nan 8.240 nan 0.000 0.446 120 H N 1.153 120.279 119.070 0.092 0.000 2.547 120 H HA 0.265 4.859 4.556 0.064 0.000 0.272 120 H C 0.438 175.819 175.328 0.088 0.000 0.971 120 H CA 0.419 56.524 56.048 0.096 0.000 1.245 120 H CB 0.140 29.985 29.762 0.138 0.000 1.440 120 H HN 0.316 nan 8.280 nan 0.000 0.540 121 K N 1.177 121.675 120.400 0.163 0.000 3.490 121 K HA -0.116 4.243 4.320 0.064 0.000 0.273 121 K C -2.577 174.080 176.600 0.095 0.000 0.916 121 K CA 0.010 56.356 56.287 0.099 0.000 0.718 121 K CB -0.950 31.584 32.500 0.057 0.000 1.477 121 K HN 0.396 nan 8.250 nan 0.000 0.452 122 P HA -0.016 nan 4.420 nan 0.000 0.271 122 P C 0.380 177.701 177.300 0.035 0.000 1.218 122 P CA -0.009 63.141 63.100 0.083 0.000 0.780 122 P CB 1.469 33.226 31.700 0.096 0.000 0.901 123 S N 1.494 117.212 115.700 0.030 0.000 2.524 123 S HA 0.202 4.710 4.470 0.064 0.000 0.215 123 S C 0.726 175.332 174.600 0.010 0.000 0.986 123 S CA -0.091 58.117 58.200 0.013 0.000 0.911 123 S CB -0.013 63.194 63.200 0.012 0.000 0.805 123 S HN 0.300 nan 8.310 nan 0.000 0.501 124 I N 1.369 121.950 120.570 0.019 0.000 2.802 124 I HA 0.542 4.750 4.170 0.064 0.000 0.298 124 I C -1.201 174.931 176.117 0.024 0.000 1.176 124 I CA -1.117 60.195 61.300 0.021 0.000 1.025 124 I CB 1.970 39.987 38.000 0.029 0.000 1.243 124 I HN -0.101 nan 8.210 nan 0.000 0.424 125 V N 2.902 122.829 119.914 0.020 0.000 2.525 125 V HA 0.449 4.608 4.120 0.064 0.000 0.299 125 V C -0.140 175.979 176.094 0.041 0.000 1.034 125 V CA -0.538 61.778 62.300 0.025 0.000 0.863 125 V CB 1.999 33.829 31.823 0.012 0.000 0.999 125 V HN 0.832 nan 8.190 nan 0.000 0.423 126 S N 5.721 121.459 115.700 0.063 0.000 2.437 126 S HA 0.797 5.306 4.470 0.064 0.000 0.305 126 S C -0.801 173.868 174.600 0.115 0.000 1.109 126 S CA -0.438 57.805 58.200 0.072 0.000 1.099 126 S CB 0.535 63.773 63.200 0.063 0.000 1.004 126 S HN 0.552 nan 8.310 nan 0.000 0.475 127 I N 3.894 124.544 120.570 0.132 0.000 2.447 127 I HA 0.330 4.538 4.170 0.064 0.000 0.287 127 I C 0.148 176.394 176.117 0.215 0.000 1.023 127 I CA -0.382 61.060 61.300 0.237 0.000 1.083 127 I CB 2.310 40.478 38.000 0.280 0.000 1.245 127 I HN 0.543 nan 8.210 nan 0.000 0.434 128 S N 4.037 119.894 115.700 0.260 0.000 2.754 128 S HA 0.250 4.758 4.470 0.064 0.000 0.247 128 S C -0.829 173.771 174.600 -0.001 0.000 1.031 128 S CA -0.456 57.795 58.200 0.085 0.000 1.014 128 S CB 0.059 63.231 63.200 -0.046 0.000 0.918 128 S HN 0.475 nan 8.310 nan 0.000 0.519 129 W N 0.770 122.141 121.300 0.119 0.000 2.689 129 W HA 0.760 5.450 4.660 0.050 0.000 0.340 129 W C 0.482 177.203 176.519 0.336 0.000 1.060 129 W CA -0.327 57.083 57.345 0.109 0.000 1.218 129 W CB 1.364 30.734 29.460 -0.151 0.000 1.410 129 W HN 0.164 nan 8.180 nan 0.000 0.528 130 G N -0.267 108.884 108.800 0.586 0.000 2.342 130 G HA2 0.597 4.595 3.960 0.064 0.000 0.297 130 G HA3 0.597 4.595 3.960 0.064 0.000 0.297 130 G C -1.281 173.965 174.900 0.578 0.000 1.313 130 G CA -0.053 45.470 45.100 0.704 0.000 0.830 130 G HN 0.931 nan 8.290 nan 0.000 0.506 131 G N -1.204 108.024 108.800 0.714 0.000 2.646 131 G HA2 0.700 4.699 3.960 0.064 0.000 0.291 131 G HA3 0.700 4.699 3.960 0.064 0.000 0.291 131 G C -3.418 171.864 174.900 0.637 0.000 1.445 131 G CA -1.015 44.386 45.100 0.501 0.000 0.814 131 G HN 0.507 nan 8.290 nan 0.000 0.495 132 P HA 0.048 nan 4.420 nan 0.000 0.261 132 P C 0.990 178.620 177.300 0.550 0.000 1.173 132 P CA 0.283 63.601 63.100 0.363 0.000 0.760 132 P CB 0.640 32.412 31.700 0.119 0.000 0.783 133 E N 2.711 123.193 120.200 0.470 0.000 2.160 133 E HA -0.255 4.133 4.350 0.064 0.000 0.195 133 E C 0.322 177.081 176.600 0.265 0.000 0.991 133 E CA 1.564 58.172 56.400 0.347 0.000 0.810 133 E CB -0.522 29.350 29.700 0.287 0.000 0.742 133 E HN 0.444 nan 8.360 nan 0.000 0.466 134 D N 0.971 121.533 120.400 0.270 0.000 2.328 134 D HA -0.047 4.631 4.640 0.064 0.000 0.221 134 D C 1.382 177.787 176.300 0.175 0.000 1.072 134 D CA 0.629 54.743 54.000 0.191 0.000 0.850 134 D CB 0.383 41.307 40.800 0.207 0.000 0.922 134 D HN 0.260 nan 8.370 nan 0.000 0.516 135 S N -1.711 114.123 115.700 0.224 0.000 2.535 135 S HA 0.123 4.631 4.470 0.064 0.000 0.214 135 S C 0.076 174.746 174.600 0.117 0.000 0.980 135 S CA -0.807 57.460 58.200 0.111 0.000 0.907 135 S CB -0.403 62.819 63.200 0.036 0.000 0.790 135 S HN 0.156 nan 8.310 nan 0.000 0.510 136 W N 2.234 123.547 121.300 0.022 0.000 2.381 136 W HA 0.725 5.426 4.660 0.067 0.000 0.329 136 W C 0.533 177.032 176.519 -0.032 0.000 1.157 136 W CA -0.765 56.583 57.345 0.005 0.000 1.240 136 W CB 0.703 30.138 29.460 -0.042 0.000 1.199 136 W HN 0.194 nan 8.180 nan 0.000 0.579 137 A N 4.960 127.917 122.820 0.227 0.000 2.546 137 A HA 0.135 4.494 4.320 0.064 0.000 0.243 137 A C -1.512 176.123 177.584 0.085 0.000 1.063 137 A CA -0.642 51.467 52.037 0.120 0.000 0.757 137 A CB -0.089 18.969 19.000 0.097 0.000 0.991 137 A HN 0.559 nan 8.150 nan 0.000 0.503 138 P HA -0.194 nan 4.420 nan 0.000 0.218 138 P C 1.610 178.886 177.300 -0.040 0.000 1.148 138 P CA 2.155 65.233 63.100 -0.038 0.000 0.822 138 P CB 0.194 31.869 31.700 -0.042 0.000 0.784 139 A N -0.937 121.880 122.820 -0.005 0.000 1.969 139 A HA -0.169 4.189 4.320 0.064 0.000 0.218 139 A C 2.483 180.068 177.584 0.003 0.000 1.169 139 A CA 2.049 54.084 52.037 -0.003 0.000 0.635 139 A CB -1.526 17.480 19.000 0.011 0.000 0.810 139 A HN 0.197 nan 8.150 nan 0.000 0.445 140 S N -0.561 115.166 115.700 0.045 0.000 2.371 140 S HA -0.082 4.426 4.470 0.064 0.000 0.224 140 S C 1.913 176.480 174.600 -0.056 0.000 1.029 140 S CA 1.149 59.401 58.200 0.085 0.000 0.978 140 S CB -0.382 62.993 63.200 0.291 0.000 0.833 140 S HN 0.379 nan 8.310 nan 0.000 0.466 141 I N 2.228 122.682 120.570 -0.194 0.000 2.179 141 I HA -0.131 4.078 4.170 0.064 0.000 0.242 141 I C 2.831 178.830 176.117 -0.198 0.000 1.088 141 I CA 1.448 62.444 61.300 -0.507 0.000 1.357 141 I CB -1.876 35.780 38.000 -0.574 0.000 1.051 141 I HN 0.364 nan 8.210 nan 0.000 0.409 142 A N 0.857 123.615 122.820 -0.104 0.000 1.877 142 A HA -0.139 4.220 4.320 0.064 0.000 0.216 142 A C 2.579 180.148 177.584 -0.024 0.000 1.186 142 A CA 2.137 54.158 52.037 -0.026 0.000 0.620 142 A CB -0.809 18.174 19.000 -0.028 0.000 0.822 142 A HN 0.424 nan 8.150 nan 0.000 0.443 143 A N -0.697 122.095 122.820 -0.047 0.000 1.902 143 A HA -0.094 4.264 4.320 0.064 0.000 0.217 143 A C 2.279 179.783 177.584 -0.133 0.000 1.181 143 A CA 1.826 53.824 52.037 -0.065 0.000 0.623 143 A CB -0.510 18.465 19.000 -0.043 0.000 0.818 143 A HN 0.530 nan 8.150 nan 0.000 0.443 144 M N -0.705 118.803 119.600 -0.152 0.000 2.156 144 M HA -0.116 4.402 4.480 0.064 0.000 0.264 144 M C 2.211 178.255 176.300 -0.425 0.000 1.067 144 M CA 1.444 56.527 55.300 -0.362 0.000 1.131 144 M CB -0.481 31.988 32.600 -0.218 0.000 1.368 144 M HN 0.622 nan 8.290 nan 0.000 0.416 145 N N 0.531 119.258 118.700 0.045 0.000 2.104 145 N HA -0.217 4.562 4.740 0.064 0.000 0.190 145 N C 1.844 177.377 175.510 0.038 0.000 1.024 145 N CA 1.355 54.551 53.050 0.244 0.000 0.853 145 N CB 0.062 38.803 38.487 0.423 0.000 1.008 145 N HN 0.125 nan 8.380 nan 0.000 0.424 146 R N 0.982 121.455 120.500 -0.045 0.000 2.096 146 R HA 0.024 4.403 4.340 0.064 0.000 0.235 146 R C 2.102 178.299 176.300 -0.172 0.000 1.127 146 R CA 1.546 57.587 56.100 -0.099 0.000 0.968 146 R CB -0.745 29.514 30.300 -0.069 0.000 0.861 146 R HN 0.302 nan 8.270 nan 0.000 0.440 147 A N -0.534 122.135 122.820 -0.251 0.000 1.933 147 A HA -0.101 4.257 4.320 0.064 0.000 0.218 147 A C 1.836 179.271 177.584 -0.248 0.000 1.175 147 A CA 1.339 53.212 52.037 -0.274 0.000 0.628 147 A CB -0.661 18.098 19.000 -0.401 0.000 0.814 147 A HN 0.342 nan 8.150 nan 0.000 0.444 148 F N -0.499 119.368 119.950 -0.138 0.000 2.259 148 F HA -0.001 4.589 4.527 0.104 0.000 0.298 148 F C 2.011 177.586 175.800 -0.374 0.000 1.088 148 F CA 0.544 58.436 58.000 -0.181 0.000 1.358 148 F CB -0.868 38.072 39.000 -0.099 0.000 1.040 148 F HN 0.235 nan 8.300 nan 0.000 0.505 149 L N -0.077 120.894 121.223 -0.420 0.000 2.046 149 L HA -0.232 4.146 4.340 0.064 0.000 0.208 149 L C 2.293 178.881 176.870 -0.470 0.000 1.077 149 L CA 1.798 56.069 54.840 -0.949 0.000 0.747 149 L CB -0.443 41.106 42.059 -0.849 0.000 0.896 149 L HN 0.017 nan 8.230 nan 0.000 0.432 150 D N -0.187 120.058 120.400 -0.259 0.000 2.144 150 D HA -0.175 4.503 4.640 0.064 0.000 0.199 150 D C 2.131 178.345 176.300 -0.144 0.000 0.984 150 D CA 1.332 55.247 54.000 -0.142 0.000 0.834 150 D CB 0.125 40.907 40.800 -0.031 0.000 0.955 150 D HN 0.466 nan 8.370 nan 0.000 0.465 151 A N 0.606 123.337 122.820 -0.149 0.000 1.902 151 A HA -0.005 4.353 4.320 0.064 0.000 0.217 151 A C 2.387 179.903 177.584 -0.112 0.000 1.181 151 A CA 2.313 54.273 52.037 -0.129 0.000 0.623 151 A CB -0.928 18.041 19.000 -0.051 0.000 0.818 151 A HN 0.293 nan 8.150 nan 0.000 0.443 152 A N -0.143 122.575 122.820 -0.170 0.000 1.902 152 A HA 0.157 4.515 4.320 0.064 0.000 0.217 152 A C 2.482 180.022 177.584 -0.073 0.000 1.181 152 A CA 2.053 53.998 52.037 -0.154 0.000 0.623 152 A CB -0.985 17.756 19.000 -0.431 0.000 0.818 152 A HN 1.094 nan 8.150 nan 0.000 0.443 153 A N -0.604 122.149 122.820 -0.112 0.000 2.019 153 A HA 0.050 4.408 4.320 0.064 0.000 0.219 153 A C 1.946 179.513 177.584 -0.030 0.000 1.164 153 A CA 1.327 53.331 52.037 -0.054 0.000 0.644 153 A CB -0.452 18.508 19.000 -0.068 0.000 0.805 153 A HN 0.467 nan 8.150 nan 0.000 0.449 154 L N -1.294 119.901 121.223 -0.048 0.000 2.591 154 L HA 0.201 4.579 4.340 0.064 0.000 0.228 154 L C 1.492 178.345 176.870 -0.027 0.000 1.133 154 L CA 0.484 55.300 54.840 -0.040 0.000 0.880 154 L CB -0.121 41.890 42.059 -0.080 0.000 1.033 154 L HN 0.567 nan 8.230 nan 0.000 0.450 155 G N 0.649 109.441 108.800 -0.013 0.000 2.171 155 G HA2 -0.221 3.778 3.960 0.064 0.000 0.238 155 G HA3 -0.221 3.778 3.960 0.064 0.000 0.238 155 G C -0.116 174.782 174.900 -0.003 0.000 1.039 155 G CA -0.017 45.085 45.100 0.004 0.000 0.759 155 G HN 0.105 nan 8.290 nan 0.000 0.501 156 V N 1.129 121.034 119.914 -0.016 0.000 2.384 156 V HA 0.552 4.710 4.120 0.064 0.000 0.287 156 V C 0.793 176.889 176.094 0.003 0.000 1.020 156 V CA -0.258 62.032 62.300 -0.018 0.000 0.850 156 V CB 1.663 33.454 31.823 -0.053 0.000 0.987 156 V HN 0.343 nan 8.190 nan 0.000 0.436 157 T N 4.765 119.327 114.554 0.013 0.000 2.851 157 T HA 0.437 4.825 4.350 0.064 0.000 0.298 157 T C -0.123 174.581 174.700 0.007 0.000 0.977 157 T CA -0.160 61.955 62.100 0.024 0.000 1.126 157 T CB 1.146 70.024 68.868 0.017 0.000 0.916 157 T HN 0.384 nan 8.240 nan 0.000 0.529 158 V N 5.001 124.907 119.914 -0.013 0.000 2.444 158 V HA 0.457 4.615 4.120 0.064 0.000 0.294 158 V C -0.532 175.507 176.094 -0.092 0.000 1.022 158 V CA -0.853 61.408 62.300 -0.065 0.000 0.850 158 V CB 1.251 32.985 31.823 -0.148 0.000 0.992 158 V HN 0.637 nan 8.190 nan 0.000 0.426 159 L N 4.146 125.341 121.223 -0.046 0.000 2.334 159 L HA 0.961 5.339 4.340 0.064 0.000 0.276 159 L C 0.151 177.003 176.870 -0.030 0.000 1.014 159 L CA -0.256 54.573 54.840 -0.017 0.000 0.815 159 L CB 1.950 44.042 42.059 0.056 0.000 1.268 159 L HN 0.767 nan 8.230 nan 0.000 0.428 160 A N 1.631 124.432 122.820 -0.031 0.000 2.486 160 A HA 0.885 5.243 4.320 0.064 0.000 0.300 160 A C -0.580 177.030 177.584 0.044 0.000 1.048 160 A CA -0.527 51.508 52.037 -0.004 0.000 0.696 160 A CB 1.388 20.334 19.000 -0.091 0.000 1.278 160 A HN 0.804 nan 8.150 nan 0.000 0.405 161 A N 0.911 123.774 122.820 0.072 0.000 2.511 161 A HA 0.498 4.857 4.320 0.064 0.000 0.242 161 A C 1.267 178.918 177.584 0.112 0.000 1.069 161 A CA 0.424 52.513 52.037 0.086 0.000 0.763 161 A CB 0.028 19.072 19.000 0.074 0.000 1.001 161 A HN 2.134 nan 8.150 nan 0.000 0.498 162 A N 2.108 125.005 122.820 0.128 0.000 2.169 162 A HA 0.500 4.858 4.320 0.064 0.000 0.212 162 A C 1.294 178.978 177.584 0.166 0.000 1.153 162 A CA 1.216 53.338 52.037 0.142 0.000 0.756 162 A CB -0.734 18.349 19.000 0.138 0.000 0.813 162 A HN 2.756 nan 8.150 nan 0.000 0.471 163 G N -1.451 107.455 108.800 0.177 0.000 2.428 163 G HA2 0.179 4.177 3.960 0.064 0.000 0.681 163 G HA3 0.179 4.177 3.960 0.064 0.000 0.681 163 G C -0.918 174.101 174.900 0.198 0.000 1.340 163 G CA -0.076 45.131 45.100 0.177 0.000 0.915 163 G HN -0.008 nan 8.290 nan 0.000 0.645 164 D N -0.331 120.169 120.400 0.167 0.000 2.479 164 D HA 0.301 4.979 4.640 0.064 0.000 0.218 164 D C 1.240 177.506 176.300 -0.057 0.000 1.177 164 D CA 0.628 54.724 54.000 0.160 0.000 0.830 164 D CB 0.813 41.799 40.800 0.310 0.000 1.014 164 D HN 0.306 nan 8.370 nan 0.000 0.503 165 S N 0.291 115.977 115.700 -0.023 0.000 2.592 165 S HA 0.517 5.025 4.470 0.064 0.000 0.243 165 S C 0.912 175.496 174.600 -0.026 0.000 1.160 165 S CA -0.225 57.953 58.200 -0.037 0.000 1.145 165 S CB 1.018 64.230 63.200 0.019 0.000 0.909 165 S HN 0.403 nan 8.310 nan 0.000 0.487 166 G N 2.854 111.600 108.800 -0.090 0.000 2.598 166 G HA2 -0.345 3.653 3.960 0.064 0.000 0.269 166 G HA3 -0.345 3.653 3.960 0.064 0.000 0.269 166 G C 0.940 175.903 174.900 0.105 0.000 1.289 166 G CA 0.184 45.269 45.100 -0.025 0.000 0.926 166 G HN 0.995 nan 8.290 nan 0.000 0.567 167 S N -1.375 114.430 115.700 0.174 0.000 2.555 167 S HA 0.058 4.567 4.470 0.064 0.000 0.230 167 S C 1.922 176.767 174.600 0.407 0.000 0.978 167 S CA 1.970 60.364 58.200 0.323 0.000 0.934 167 S CB -0.318 63.090 63.200 0.346 0.000 0.766 167 S HN 1.797 nan 8.310 nan 0.000 0.533 168 T N -2.259 112.464 114.554 0.283 0.000 3.040 168 T HA 0.215 4.603 4.350 0.064 0.000 0.250 168 T C 0.341 175.200 174.700 0.264 0.000 1.058 168 T CA 0.294 62.548 62.100 0.257 0.000 0.988 168 T CB -0.464 68.468 68.868 0.107 0.000 0.993 168 T HN 0.278 nan 8.240 nan 0.000 0.519 169 D N 1.417 121.938 120.400 0.201 0.000 2.811 169 D HA -0.151 4.527 4.640 0.064 0.000 0.231 169 D C 1.270 177.628 176.300 0.097 0.000 1.157 169 D CA 1.609 55.707 54.000 0.163 0.000 0.716 169 D CB -1.524 39.412 40.800 0.226 0.000 1.077 169 D HN 0.853 nan 8.370 nan 0.000 0.428 170 G N -1.413 107.428 108.800 0.068 0.000 2.176 170 G HA2 -0.289 3.709 3.960 0.064 0.000 0.253 170 G HA3 -0.289 3.709 3.960 0.064 0.000 0.253 170 G C -0.013 174.887 174.900 0.001 0.000 0.979 170 G CA 0.341 45.459 45.100 0.032 0.000 0.641 170 G HN 0.445 nan 8.290 nan 0.000 0.530 171 E N 0.601 120.793 120.200 -0.014 0.000 2.231 171 E HA 0.434 4.822 4.350 0.064 0.000 0.277 171 E C 0.334 176.941 176.600 0.011 0.000 0.999 171 E CA -0.324 56.038 56.400 -0.062 0.000 0.827 171 E CB 0.891 30.407 29.700 -0.306 0.000 1.101 171 E HN 0.666 nan 8.360 nan 0.000 0.393 172 Q N 1.411 121.210 119.800 -0.000 0.000 2.773 172 Q HA 0.177 4.555 4.340 0.064 0.000 0.373 172 Q C -0.576 175.429 176.000 0.008 0.000 0.940 172 Q CA -0.277 55.526 55.803 0.001 0.000 1.015 172 Q CB 0.137 28.871 28.738 -0.006 0.000 1.349 172 Q HN 0.313 nan 8.270 nan 0.000 0.413 173 D N -0.432 119.991 120.400 0.039 0.000 2.535 173 D HA 0.143 4.822 4.640 0.064 0.000 0.229 173 D C 1.063 177.373 176.300 0.017 0.000 1.238 173 D CA -0.023 54.004 54.000 0.044 0.000 0.824 173 D CB 0.359 41.212 40.800 0.089 0.000 1.045 173 D HN 0.443 nan 8.370 nan 0.000 0.500 174 G N 0.362 109.139 108.800 -0.037 0.000 2.168 174 G HA2 -0.261 3.738 3.960 0.064 0.000 0.263 174 G HA3 -0.261 3.738 3.960 0.064 0.000 0.263 174 G C -0.099 174.697 174.900 -0.174 0.000 0.977 174 G CA 0.693 45.733 45.100 -0.100 0.000 0.659 174 G HN 0.434 nan 8.290 nan 0.000 0.533 175 L N -1.376 119.741 121.223 -0.176 0.000 2.323 175 L HA 0.717 5.096 4.340 0.064 0.000 0.265 175 L C 0.084 176.626 176.870 -0.548 0.000 1.012 175 L CA -1.669 52.984 54.840 -0.312 0.000 0.820 175 L CB 1.400 43.306 42.059 -0.255 0.000 1.334 175 L HN 0.051 nan 8.230 nan 0.000 0.427 176 Y N -0.094 120.031 120.300 -0.292 0.000 2.335 176 Y HA 0.472 5.057 4.550 0.057 0.000 0.323 176 Y C 0.053 175.701 175.900 -0.421 0.000 1.224 176 Y CA -0.281 57.714 58.100 -0.176 0.000 1.241 176 Y CB 1.079 39.542 38.460 0.006 0.000 1.235 176 Y HN 0.337 nan 8.280 nan 0.000 0.492 177 H N 0.681 119.930 119.070 0.298 0.000 2.930 177 H HA 0.509 5.097 4.556 0.054 0.000 0.371 177 H C -1.150 174.323 175.328 0.242 0.000 1.169 177 H CA -0.940 55.248 56.048 0.234 0.000 1.157 177 H CB 1.796 31.666 29.762 0.180 0.000 1.789 177 H HN 0.518 nan 8.280 nan 0.000 0.547 178 V N -0.544 119.576 119.914 0.344 0.000 2.732 178 V HA 0.414 4.573 4.120 0.064 0.000 0.310 178 V C 0.039 176.328 176.094 0.325 0.000 1.053 178 V CA -0.871 61.604 62.300 0.290 0.000 0.957 178 V CB 1.998 33.962 31.823 0.236 0.000 1.018 178 V HN 0.643 nan 8.190 nan 0.000 0.452 179 D N 1.172 121.750 120.400 0.298 0.000 2.264 179 D HA 0.512 5.191 4.640 0.064 0.000 0.249 179 D C -1.133 175.385 176.300 0.364 0.000 1.070 179 D CA -0.007 54.198 54.000 0.342 0.000 0.912 179 D CB 1.289 42.258 40.800 0.281 0.000 1.193 179 D HN 0.618 nan 8.370 nan 0.000 0.427 180 F N 3.301 123.415 119.950 0.273 0.000 2.532 180 F HA 0.440 5.033 4.527 0.110 0.000 0.321 180 F C -1.745 174.188 175.800 0.222 0.000 1.089 180 F CA -2.329 55.731 58.000 0.101 0.000 0.926 180 F CB 2.211 41.078 39.000 -0.221 0.000 1.168 180 F HN 0.240 nan 8.300 nan 0.000 0.459 181 P HA -0.029 nan 4.420 nan 0.000 0.242 181 P C 0.820 177.692 177.300 -0.714 0.000 1.197 181 P CA 1.097 63.405 63.100 -1.320 0.000 0.765 181 P CB -0.075 31.090 31.700 -0.891 0.000 0.936 182 A N 1.233 123.901 122.820 -0.254 0.000 1.978 182 A HA -0.105 4.253 4.320 0.064 0.000 0.220 182 A C 2.412 179.950 177.584 -0.077 0.000 1.170 182 A CA 1.945 53.912 52.037 -0.118 0.000 0.636 182 A CB -1.398 17.623 19.000 0.034 0.000 0.810 182 A HN 0.269 nan 8.150 nan 0.000 0.448 183 A N -0.581 122.257 122.820 0.030 0.000 2.067 183 A HA 0.152 4.510 4.320 0.064 0.000 0.219 183 A C 1.616 179.126 177.584 -0.123 0.000 1.158 183 A CA 0.985 53.110 52.037 0.147 0.000 0.661 183 A CB -0.734 18.532 19.000 0.444 0.000 0.801 183 A HN 0.572 nan 8.150 nan 0.000 0.452 184 S N 0.640 116.154 115.700 -0.311 0.000 2.552 184 S HA 0.149 4.657 4.470 0.064 0.000 0.289 184 S C -1.009 173.315 174.600 -0.460 0.000 1.304 184 S CA -0.618 57.204 58.200 -0.630 0.000 1.063 184 S CB 0.693 63.719 63.200 -0.291 0.000 0.848 184 S HN 0.319 nan 8.310 nan 0.000 0.499 185 P HA -0.025 nan 4.420 nan 0.000 0.233 185 P C 0.172 177.356 177.300 -0.193 0.000 1.167 185 P CA 0.966 63.917 63.100 -0.248 0.000 0.770 185 P CB -0.120 31.366 31.700 -0.356 0.000 0.837 186 Y N -0.824 119.425 120.300 -0.085 0.000 2.466 186 Y HA 0.142 4.729 4.550 0.062 0.000 0.272 186 Y C 1.152 176.918 175.900 -0.224 0.000 1.169 186 Y CA -0.285 57.663 58.100 -0.254 0.000 1.285 186 Y CB 0.420 38.696 38.460 -0.308 0.000 1.078 186 Y HN -0.283 nan 8.280 nan 0.000 0.523 187 V N 1.195 121.017 119.914 -0.153 0.000 2.581 187 V HA 0.206 4.364 4.120 0.064 0.000 0.303 187 V C -0.579 175.469 176.094 -0.076 0.000 1.041 187 V CA -1.205 60.939 62.300 -0.261 0.000 0.907 187 V CB 2.185 33.660 31.823 -0.579 0.000 0.994 187 V HN -0.076 nan 8.190 nan 0.000 0.442 188 L N 4.715 125.911 121.223 -0.044 0.000 2.295 188 L HA 0.615 4.993 4.340 0.064 0.000 0.288 188 L C 0.573 177.462 176.870 0.030 0.000 1.079 188 L CA 0.141 54.992 54.840 0.019 0.000 0.830 188 L CB 0.273 42.347 42.059 0.024 0.000 1.200 188 L HN 0.772 nan 8.230 nan 0.000 0.438 189 A N 5.030 127.890 122.820 0.067 0.000 2.362 189 A HA 0.449 4.807 4.320 0.064 0.000 0.276 189 A C -0.256 177.402 177.584 0.125 0.000 1.153 189 A CA -0.386 51.699 52.037 0.079 0.000 0.813 189 A CB -0.135 18.927 19.000 0.103 0.000 1.081 189 A HN 0.802 nan 8.150 nan 0.000 0.507 190 C N 3.448 122.825 119.300 0.127 0.000 2.271 190 C HA 0.671 5.169 4.460 0.064 0.000 0.323 190 C C 1.250 176.329 174.990 0.149 0.000 1.245 190 C CA -0.433 58.688 59.018 0.171 0.000 1.548 190 C CB 0.106 27.948 27.740 0.169 0.000 2.214 190 C HN 1.056 nan 8.230 nan 0.000 0.477 191 G N 1.998 110.891 108.800 0.154 0.000 2.537 191 G HA2 0.706 4.704 3.960 0.064 0.000 0.297 191 G HA3 0.706 4.704 3.960 0.064 0.000 0.297 191 G C -0.189 174.823 174.900 0.187 0.000 1.310 191 G CA -0.334 44.858 45.100 0.154 0.000 1.027 191 G HN 0.997 nan 8.290 nan 0.000 0.505 192 G N -1.303 107.645 108.800 0.246 0.000 2.571 192 G HA2 0.651 4.649 3.960 0.064 0.000 0.304 192 G HA3 0.651 4.649 3.960 0.064 0.000 0.304 192 G C -0.411 174.678 174.900 0.315 0.000 1.314 192 G CA 0.138 45.416 45.100 0.297 0.000 0.975 192 G HN 0.981 nan 8.290 nan 0.000 0.485 193 T N -1.644 113.055 114.554 0.242 0.000 2.907 193 T HA 0.696 5.084 4.350 0.064 0.000 0.290 193 T C -0.409 174.395 174.700 0.174 0.000 1.066 193 T CA -0.967 61.271 62.100 0.231 0.000 1.012 193 T CB 2.270 71.263 68.868 0.207 0.000 1.184 193 T HN 0.613 nan 8.240 nan 0.000 0.522 194 R N 0.965 121.571 120.500 0.177 0.000 2.265 194 R HA 0.607 4.986 4.340 0.064 0.000 0.328 194 R C -1.474 174.892 176.300 0.110 0.000 0.969 194 R CA -0.857 55.316 56.100 0.121 0.000 0.832 194 R CB 0.581 30.971 30.300 0.149 0.000 1.139 194 R HN 0.614 nan 8.270 nan 0.000 0.457 195 L N 5.544 126.817 121.223 0.083 0.000 2.296 195 L HA 0.409 4.787 4.340 0.064 0.000 0.286 195 L C -1.354 175.580 176.870 0.107 0.000 1.023 195 L CA -0.479 54.395 54.840 0.056 0.000 0.812 195 L CB 1.976 43.985 42.059 -0.084 0.000 1.223 195 L HN 0.398 nan 8.230 nan 0.000 0.421 196 V N 5.615 125.578 119.914 0.081 0.000 2.313 196 V HA 0.903 5.061 4.120 0.064 0.000 0.278 196 V C 0.094 176.214 176.094 0.044 0.000 1.017 196 V CA 0.013 62.377 62.300 0.107 0.000 0.823 196 V CB 0.522 32.386 31.823 0.068 0.000 1.010 196 V HN 0.984 nan 8.190 nan 0.000 0.443 197 A N 4.048 126.900 122.820 0.054 0.000 2.594 197 A HA 1.004 5.362 4.320 0.064 0.000 0.291 197 A C -0.293 177.289 177.584 -0.005 0.000 1.105 197 A CA -0.254 51.744 52.037 -0.065 0.000 0.694 197 A CB 2.243 21.082 19.000 -0.268 0.000 1.291 197 A HN 0.893 nan 8.150 nan 0.000 0.410 198 S N -0.527 115.147 115.700 -0.044 0.000 2.811 198 S HA 0.736 5.244 4.470 0.064 0.000 0.311 198 S C 1.094 175.656 174.600 -0.064 0.000 1.152 198 S CA 0.014 58.201 58.200 -0.023 0.000 0.864 198 S CB 1.142 64.337 63.200 -0.008 0.000 1.226 198 S HN 2.053 nan 8.310 nan 0.000 0.541 199 A N 0.326 123.117 122.820 -0.049 0.000 1.940 199 A HA 0.182 4.540 4.320 0.064 0.000 0.219 199 A C 1.883 179.435 177.584 -0.053 0.000 1.176 199 A CA 1.785 53.787 52.037 -0.059 0.000 0.631 199 A CB -1.534 17.442 19.000 -0.041 0.000 0.814 199 A HN 1.202 nan 8.150 nan 0.000 0.446 200 G N -1.204 107.573 108.800 -0.038 0.000 2.887 200 G HA2 0.358 4.356 3.960 0.064 0.000 0.211 200 G HA3 0.358 4.356 3.960 0.064 0.000 0.211 200 G C 0.568 175.451 174.900 -0.029 0.000 1.152 200 G CA 0.407 45.490 45.100 -0.028 0.000 0.769 200 G HN 0.807 nan 8.290 nan 0.000 0.541 201 R N -1.204 119.272 120.500 -0.041 0.000 2.712 201 R HA 0.501 4.879 4.340 0.064 0.000 0.272 201 R C -1.891 174.371 176.300 -0.064 0.000 1.032 201 R CA -0.977 55.099 56.100 -0.039 0.000 0.874 201 R CB 0.488 30.779 30.300 -0.015 0.000 1.256 201 R HN -0.066 nan 8.270 nan 0.000 0.468 202 I N 2.287 122.811 120.570 -0.076 0.000 2.304 202 I HA 0.164 4.373 4.170 0.064 0.000 0.291 202 I C 0.395 176.500 176.117 -0.021 0.000 1.018 202 I CA -0.427 60.813 61.300 -0.099 0.000 1.260 202 I CB 1.850 39.710 38.000 -0.233 0.000 1.390 202 I HN 0.762 nan 8.210 nan 0.000 0.475 203 E N 4.349 124.549 120.200 0.000 0.000 2.112 203 E HA 0.088 4.476 4.350 0.064 0.000 0.190 203 E C 0.394 177.029 176.600 0.058 0.000 0.979 203 E CA 0.775 57.192 56.400 0.030 0.000 0.814 203 E CB 0.330 30.045 29.700 0.025 0.000 0.762 203 E HN 0.417 nan 8.360 nan 0.000 0.460 204 R N -0.280 120.259 120.500 0.065 0.000 2.604 204 R HA 0.271 4.650 4.340 0.064 0.000 0.261 204 R C -1.819 174.553 176.300 0.122 0.000 1.080 204 R CA -0.336 55.824 56.100 0.100 0.000 0.917 204 R CB 1.336 31.683 30.300 0.077 0.000 1.252 204 R HN -0.034 nan 8.270 nan 0.000 0.456 205 E N 2.320 122.629 120.200 0.181 0.000 2.294 205 E HA 0.311 4.700 4.350 0.064 0.000 0.272 205 E C -1.557 175.144 176.600 0.168 0.000 0.896 205 E CA -0.474 56.044 56.400 0.197 0.000 0.802 205 E CB 1.762 31.635 29.700 0.290 0.000 1.267 205 E HN 0.699 nan 8.360 nan 0.000 0.406 206 T N -0.923 113.715 114.554 0.141 0.000 2.864 206 T HA 0.501 4.889 4.350 0.064 0.000 0.289 206 T C -0.078 174.702 174.700 0.133 0.000 1.082 206 T CA -0.773 61.396 62.100 0.114 0.000 1.009 206 T CB 1.111 70.037 68.868 0.098 0.000 1.234 206 T HN 0.129 nan 8.240 nan 0.000 0.526 207 V N 1.435 121.414 119.914 0.108 0.000 2.673 207 V HA 0.120 4.278 4.120 0.064 0.000 0.303 207 V C 0.086 176.304 176.094 0.207 0.000 1.046 207 V CA -0.432 61.945 62.300 0.127 0.000 1.126 207 V CB -0.053 31.808 31.823 0.065 0.000 0.934 207 V HN 0.853 nan 8.190 nan 0.000 0.487 208 W N 7.281 128.611 121.300 0.051 0.000 2.529 208 W HA 0.359 5.045 4.660 0.044 0.000 0.319 208 W C 0.009 176.558 176.519 0.049 0.000 1.362 208 W CA -0.676 56.701 57.345 0.054 0.000 1.348 208 W CB -0.133 29.364 29.460 0.063 0.000 1.403 208 W HN 0.619 nan 8.180 nan 0.000 0.519 209 N N 5.311 123.998 118.700 -0.022 0.000 2.599 209 N HA 0.085 4.863 4.740 0.064 0.000 0.283 209 N C -1.205 174.265 175.510 -0.067 0.000 1.160 209 N CA -0.166 52.750 53.050 -0.224 0.000 0.869 209 N CB 0.950 39.378 38.487 -0.099 0.000 1.448 209 N HN 0.369 nan 8.380 nan 0.000 0.535 210 D N 2.047 122.382 120.400 -0.109 0.000 2.559 210 D HA 0.311 4.990 4.640 0.064 0.000 0.234 210 D C 1.011 177.309 176.300 -0.003 0.000 1.226 210 D CA 0.335 54.365 54.000 0.051 0.000 0.830 210 D CB 0.215 41.144 40.800 0.215 0.000 1.028 210 D HN 0.884 nan 8.370 nan 0.000 0.492 211 G N 1.832 110.597 108.800 -0.059 0.000 2.796 211 G HA2 -0.250 3.748 3.960 0.064 0.000 0.226 211 G HA3 -0.250 3.748 3.960 0.064 0.000 0.226 211 G C -1.851 173.019 174.900 -0.050 0.000 1.381 211 G CA -0.699 44.375 45.100 -0.043 0.000 0.867 211 G HN 0.004 nan 8.290 nan 0.000 0.552 212 P HA -0.041 nan 4.420 nan 0.000 0.216 212 P C 1.214 178.510 177.300 -0.006 0.000 1.153 212 P CA 1.931 65.019 63.100 -0.021 0.000 0.858 212 P CB 0.014 31.709 31.700 -0.008 0.000 0.789 213 D N -1.708 118.697 120.400 0.007 0.000 2.289 213 D HA 0.017 4.695 4.640 0.064 0.000 0.207 213 D C 1.979 178.308 176.300 0.048 0.000 0.966 213 D CA 1.219 55.234 54.000 0.025 0.000 0.868 213 D CB -0.420 40.395 40.800 0.025 0.000 0.943 213 D HN 0.242 nan 8.370 nan 0.000 0.514 214 G N -0.420 108.413 108.800 0.056 0.000 2.939 214 G HA2 0.408 4.406 3.960 0.064 0.000 0.216 214 G HA3 0.408 4.406 3.960 0.064 0.000 0.216 214 G C 0.780 175.792 174.900 0.186 0.000 1.125 214 G CA 0.382 45.559 45.100 0.129 0.000 0.766 214 G HN 0.501 nan 8.290 nan 0.000 0.541 215 G N -1.179 107.618 108.800 -0.005 0.000 2.699 215 G HA2 0.326 4.324 3.960 0.064 0.000 0.686 215 G HA3 0.326 4.324 3.960 0.064 0.000 0.686 215 G C -0.524 173.823 174.900 -0.921 0.000 1.301 215 G CA 0.069 45.031 45.100 -0.230 0.000 0.816 215 G HN 1.267 nan 8.290 nan 0.000 0.595 216 S N -1.468 113.441 115.700 -1.319 0.000 2.547 216 S HA 0.725 5.233 4.470 0.064 0.000 0.270 216 S C 0.050 174.068 174.600 -0.968 0.000 1.150 216 S CA 0.845 58.193 58.200 -1.420 0.000 0.850 216 S CB 1.767 64.614 63.200 -0.589 0.000 1.118 216 S HN 2.009 nan 8.310 nan 0.000 0.461 217 T N 2.220 116.502 114.554 -0.454 0.000 2.940 217 T HA 0.458 4.846 4.350 0.064 0.000 0.309 217 T C 0.894 175.607 174.700 0.021 0.000 1.056 217 T CA 0.596 62.721 62.100 0.042 0.000 1.137 217 T CB -0.241 68.757 68.868 0.216 0.000 0.976 217 T HN 0.885 nan 8.240 nan 0.000 0.547 218 G N 1.590 110.449 108.800 0.098 0.000 2.606 218 G HA2 0.562 4.560 3.960 0.064 0.000 0.252 218 G HA3 0.562 4.560 3.960 0.064 0.000 0.252 218 G C 0.192 175.154 174.900 0.103 0.000 1.206 218 G CA -0.074 45.094 45.100 0.114 0.000 0.861 218 G HN 1.199 nan 8.290 nan 0.000 0.561 219 G N -1.826 107.040 108.800 0.111 0.000 2.376 219 G HA2 0.697 4.696 3.960 0.064 0.000 0.302 219 G HA3 0.697 4.696 3.960 0.064 0.000 0.302 219 G C -0.272 174.633 174.900 0.010 0.000 1.586 219 G CA 0.422 45.553 45.100 0.051 0.000 0.907 219 G HN 2.142 nan 8.290 nan 0.000 0.655 220 G N -1.792 106.920 108.800 -0.148 0.000 2.441 220 G HA2 0.561 4.559 3.960 0.064 0.000 0.222 220 G HA3 0.561 4.559 3.960 0.064 0.000 0.222 220 G C -1.728 173.015 174.900 -0.262 0.000 1.254 220 G CA 0.471 45.269 45.100 -0.504 0.000 0.959 220 G HN 1.714 nan 8.290 nan 0.000 0.474 221 V N 1.037 120.861 119.914 -0.150 0.000 2.483 221 V HA 0.649 4.807 4.120 0.064 0.000 0.297 221 V C 0.668 176.798 176.094 0.061 0.000 1.027 221 V CA -0.221 62.061 62.300 -0.030 0.000 0.855 221 V CB 1.188 32.996 31.823 -0.026 0.000 0.995 221 V HN 1.077 nan 8.190 nan 0.000 0.424 222 S N 4.042 119.792 115.700 0.084 0.000 2.560 222 S HA 0.191 4.699 4.470 0.064 0.000 0.284 222 S C 1.116 175.762 174.600 0.077 0.000 1.327 222 S CA -0.024 58.256 58.200 0.134 0.000 1.055 222 S CB 0.383 63.721 63.200 0.230 0.000 0.868 222 S HN 0.714 nan 8.310 nan 0.000 0.506 223 R N 3.296 123.835 120.500 0.065 0.000 2.334 223 R HA 0.331 4.710 4.340 0.064 0.000 0.216 223 R C 1.099 177.367 176.300 -0.054 0.000 0.905 223 R CA 0.359 56.469 56.100 0.017 0.000 1.064 223 R CB 0.075 30.396 30.300 0.035 0.000 1.046 223 R HN 0.623 nan 8.270 nan 0.000 0.508 224 I N -0.946 119.554 120.570 -0.116 0.000 3.565 224 I HA 0.109 4.317 4.170 0.064 0.000 0.287 224 I C -0.113 175.723 176.117 -0.467 0.000 1.193 224 I CA 0.140 61.224 61.300 -0.360 0.000 1.402 224 I CB 0.518 38.153 38.000 -0.608 0.000 1.284 224 I HN -0.106 nan 8.210 nan 0.000 0.454 225 F N 2.567 122.513 119.950 -0.006 0.000 2.410 225 F HA 0.384 4.951 4.527 0.066 0.000 0.349 225 F C -2.232 173.523 175.800 -0.075 0.000 1.117 225 F CA -2.562 55.420 58.000 -0.029 0.000 1.104 225 F CB 0.232 39.226 39.000 -0.010 0.000 1.122 225 F HN -0.268 nan 8.300 nan 0.000 0.483 226 P HA -0.035 nan 4.420 nan 0.000 0.271 226 P C -0.565 176.665 177.300 -0.118 0.000 1.233 226 P CA -0.412 62.665 63.100 -0.038 0.000 0.789 226 P CB 0.587 32.257 31.700 -0.050 0.000 0.951 227 L N 4.070 125.181 121.223 -0.186 0.000 2.562 227 L HA 0.190 4.568 4.340 0.064 0.000 0.271 227 L C -2.231 174.375 176.870 -0.440 0.000 1.167 227 L CA -1.243 53.404 54.840 -0.322 0.000 0.917 227 L CB -0.833 41.053 42.059 -0.287 0.000 1.187 227 L HN 0.275 nan 8.230 nan 0.000 0.482 228 P HA 0.162 nan 4.420 nan 0.000 0.272 228 P C 0.536 177.319 177.300 -0.862 0.000 1.223 228 P CA -0.043 62.490 63.100 -0.944 0.000 0.784 228 P CB 0.727 31.324 31.700 -1.837 0.000 0.923 229 S N 1.995 117.343 115.700 -0.588 0.000 2.374 229 S HA -0.189 4.319 4.470 0.064 0.000 0.227 229 S C 1.577 175.980 174.600 -0.329 0.000 1.037 229 S CA 1.090 59.086 58.200 -0.340 0.000 1.024 229 S CB -1.325 61.788 63.200 -0.145 0.000 0.861 229 S HN 0.706 nan 8.310 nan 0.000 0.456 230 W N 1.016 122.198 121.300 -0.197 0.000 2.825 230 W HA 0.262 4.943 4.660 0.036 0.000 0.243 230 W C 1.542 177.839 176.519 -0.369 0.000 1.293 230 W CA 0.448 57.658 57.345 -0.224 0.000 1.403 230 W CB -0.596 28.737 29.460 -0.211 0.000 1.134 230 W HN 0.429 nan 8.180 nan 0.000 0.666 231 Q N 0.863 120.231 119.800 -0.719 0.000 2.194 231 Q HA 0.020 4.398 4.340 0.064 0.000 0.214 231 Q C 1.364 177.054 176.000 -0.517 0.000 0.838 231 Q CA -0.014 55.315 55.803 -0.790 0.000 0.972 231 Q CB 0.251 28.239 28.738 -1.249 0.000 1.131 231 Q HN 0.314 nan 8.270 nan 0.000 0.498 232 E N -0.077 119.901 120.200 -0.369 0.000 2.418 232 E HA -0.093 4.295 4.350 0.064 0.000 0.197 232 E C 1.007 177.507 176.600 -0.167 0.000 1.026 232 E CA 0.500 56.744 56.400 -0.259 0.000 0.862 232 E CB 0.307 29.885 29.700 -0.203 0.000 0.799 232 E HN 0.176 nan 8.360 nan 0.000 0.518 233 R N -0.371 120.057 120.500 -0.119 0.000 2.397 233 R HA 0.220 4.598 4.340 0.064 0.000 0.241 233 R C 1.574 177.861 176.300 -0.021 0.000 0.914 233 R CA 0.205 56.276 56.100 -0.048 0.000 1.071 233 R CB 0.599 30.897 30.300 -0.003 0.000 1.116 233 R HN -0.011 nan 8.270 nan 0.000 0.524 234 A N 1.018 123.792 122.820 -0.077 0.000 2.169 234 A HA -0.030 4.328 4.320 0.064 0.000 0.212 234 A C 0.253 177.829 177.584 -0.014 0.000 1.153 234 A CA 0.431 52.449 52.037 -0.032 0.000 0.756 234 A CB -0.308 18.538 19.000 -0.256 0.000 0.813 234 A HN 0.545 nan 8.150 nan 0.000 0.471 235 N N -1.334 117.319 118.700 -0.079 0.000 2.780 235 N HA -0.123 4.655 4.740 0.064 0.000 0.247 235 N C -0.628 174.880 175.510 -0.003 0.000 1.076 235 N CA 0.237 53.275 53.050 -0.021 0.000 0.688 235 N CB -1.554 36.965 38.487 0.054 0.000 0.957 235 N HN 0.192 nan 8.380 nan 0.000 0.551 236 V N 1.296 121.078 119.914 -0.220 0.000 2.540 236 V HA 0.145 4.303 4.120 0.064 0.000 0.297 236 V C -0.644 175.420 176.094 -0.049 0.000 1.024 236 V CA -0.472 61.675 62.300 -0.255 0.000 1.105 236 V CB 0.180 31.682 31.823 -0.536 0.000 0.938 236 V HN 0.209 nan 8.190 nan 0.000 0.482 237 P HA 0.382 nan 4.420 nan 0.000 0.277 237 P C -2.717 174.611 177.300 0.047 0.000 1.271 237 P CA -1.681 61.462 63.100 0.072 0.000 0.795 237 P CB 0.250 32.036 31.700 0.144 0.000 1.101 238 P HA 0.035 nan 4.420 nan 0.000 0.274 238 P C 0.274 177.634 177.300 0.100 0.000 1.231 238 P CA -0.018 63.108 63.100 0.043 0.000 0.790 238 P CB 0.326 32.045 31.700 0.031 0.000 0.951 239 S N 0.849 116.604 115.700 0.093 0.000 2.566 239 S HA 0.179 4.688 4.470 0.064 0.000 0.280 239 S C 1.415 176.101 174.600 0.142 0.000 1.343 239 S CA 0.115 58.411 58.200 0.160 0.000 1.036 239 S CB -0.138 63.131 63.200 0.115 0.000 0.866 239 S HN 0.497 nan 8.310 nan 0.000 0.526 240 A N 4.005 126.911 122.820 0.144 0.000 2.251 240 A HA 0.203 4.561 4.320 0.064 0.000 0.209 240 A C 0.694 178.345 177.584 0.112 0.000 1.187 240 A CA -0.081 51.938 52.037 -0.030 0.000 0.823 240 A CB -0.717 17.972 19.000 -0.518 0.000 0.846 240 A HN 0.894 nan 8.150 nan 0.000 0.486 241 N N 1.560 120.352 118.700 0.153 0.000 2.518 241 N HA 0.342 5.120 4.740 0.064 0.000 0.266 241 N C -2.656 172.896 175.510 0.071 0.000 1.196 241 N CA -1.315 51.811 53.050 0.126 0.000 0.947 241 N CB 0.114 38.657 38.487 0.094 0.000 1.098 241 N HN 0.006 nan 8.380 nan 0.000 0.450 242 P HA -0.246 nan 4.420 nan 0.000 0.240 242 P C 0.706 178.021 177.300 0.025 0.000 1.057 242 P CA 1.157 64.275 63.100 0.030 0.000 0.792 242 P CB -0.376 31.337 31.700 0.021 0.000 0.669 243 G N 2.804 111.616 108.800 0.020 0.000 2.258 243 G HA2 -0.081 3.918 3.960 0.064 0.000 0.233 243 G HA3 -0.081 3.918 3.960 0.064 0.000 0.233 243 G C 0.612 175.522 174.900 0.016 0.000 1.006 243 G CA 0.287 45.396 45.100 0.014 0.000 0.620 243 G HN 1.347 nan 8.290 nan 0.000 0.511 244 A N -0.349 122.487 122.820 0.027 0.000 2.560 244 A HA 0.292 4.650 4.320 0.064 0.000 0.299 244 A C 1.987 179.583 177.584 0.020 0.000 1.484 244 A CA 1.930 53.985 52.037 0.031 0.000 0.749 244 A CB -1.536 17.479 19.000 0.024 0.000 1.072 244 A HN 2.464 nan 8.150 nan 0.000 0.426 245 G N -0.502 108.308 108.800 0.018 0.000 2.653 245 G HA2 0.497 4.495 3.960 0.064 0.000 0.265 245 G HA3 0.497 4.495 3.960 0.064 0.000 0.265 245 G C 0.305 175.201 174.900 -0.006 0.000 1.237 245 G CA 0.522 45.623 45.100 0.002 0.000 0.946 245 G HN 1.403 nan 8.290 nan 0.000 0.522 246 S N -1.505 114.178 115.700 -0.028 0.000 2.525 246 S HA 0.784 5.293 4.470 0.064 0.000 0.290 246 S C 0.229 174.794 174.600 -0.059 0.000 1.152 246 S CA 0.192 58.360 58.200 -0.053 0.000 1.072 246 S CB 1.084 64.241 63.200 -0.072 0.000 1.027 246 S HN 1.408 nan 8.310 nan 0.000 0.500 247 G N 2.682 111.434 108.800 -0.079 0.000 2.559 247 G HA2 0.375 4.373 3.960 0.064 0.000 0.291 247 G HA3 0.375 4.373 3.960 0.064 0.000 0.291 247 G C -1.413 173.417 174.900 -0.117 0.000 1.424 247 G CA -0.911 44.150 45.100 -0.066 0.000 0.786 247 G HN 0.674 nan 8.290 nan 0.000 0.485 248 R N 0.278 120.727 120.500 -0.085 0.000 2.502 248 R HA 0.249 4.627 4.340 0.064 0.000 0.292 248 R C 0.530 176.771 176.300 -0.098 0.000 0.998 248 R CA 0.469 56.479 56.100 -0.150 0.000 1.056 248 R CB 0.018 30.286 30.300 -0.053 0.000 0.939 248 R HN 0.724 nan 8.270 nan 0.000 0.411 249 G N 2.861 111.538 108.800 -0.206 0.000 2.372 249 G HA2 0.434 4.432 3.960 0.064 0.000 0.283 249 G HA3 0.434 4.432 3.960 0.064 0.000 0.283 249 G C -0.832 174.256 174.900 0.314 0.000 1.177 249 G CA -0.538 44.544 45.100 -0.029 0.000 0.842 249 G HN 0.438 nan 8.290 nan 0.000 0.503 250 V N 4.952 125.091 119.914 0.376 0.000 2.555 250 V HA 0.546 4.705 4.120 0.064 0.000 0.302 250 V C -1.831 174.396 176.094 0.221 0.000 1.038 250 V CA -1.381 61.099 62.300 0.300 0.000 0.887 250 V CB 2.409 34.338 31.823 0.176 0.000 0.991 250 V HN 0.712 nan 8.190 nan 0.000 0.434 251 P HA 0.429 nan 4.420 nan 0.000 0.310 251 P C -0.458 177.040 177.300 0.329 0.000 1.309 251 P CA -0.291 62.923 63.100 0.189 0.000 0.769 251 P CB 1.929 33.687 31.700 0.096 0.000 1.327 252 D N -1.501 119.067 120.400 0.280 0.000 2.338 252 D HA 0.091 4.769 4.640 0.064 0.000 0.224 252 D C 0.780 177.106 176.300 0.044 0.000 0.967 252 D CA 1.167 55.363 54.000 0.327 0.000 0.896 252 D CB 0.441 41.409 40.800 0.281 0.000 1.028 252 D HN 0.257 nan 8.370 nan 0.000 0.493 253 V N -2.627 117.303 119.914 0.028 0.000 3.182 253 V HA 0.930 5.088 4.120 0.064 0.000 0.308 253 V C -1.297 174.859 176.094 0.103 0.000 1.240 253 V CA -1.097 61.186 62.300 -0.029 0.000 1.063 253 V CB 1.825 33.604 31.823 -0.073 0.000 1.076 253 V HN 0.081 nan 8.190 nan 0.000 0.446 254 A N -0.706 122.213 122.820 0.165 0.000 2.606 254 A HA 1.063 5.421 4.320 0.064 0.000 0.293 254 A C -0.252 177.535 177.584 0.338 0.000 1.082 254 A CA -0.114 52.065 52.037 0.235 0.000 0.685 254 A CB 1.534 20.604 19.000 0.117 0.000 1.284 254 A HN 2.424 nan 8.150 nan 0.000 0.408 255 G N -0.236 108.723 108.800 0.264 0.000 2.682 255 G HA2 0.478 4.476 3.960 0.064 0.000 0.290 255 G HA3 0.478 4.476 3.960 0.064 0.000 0.290 255 G C -0.985 174.056 174.900 0.236 0.000 1.425 255 G CA -0.738 44.526 45.100 0.274 0.000 0.807 255 G HN 0.973 nan 8.290 nan 0.000 0.482 256 N N -0.267 118.617 118.700 0.307 0.000 2.359 256 N HA 0.339 5.117 4.740 0.064 0.000 0.261 256 N C 0.732 176.298 175.510 0.094 0.000 1.267 256 N CA 1.137 54.258 53.050 0.119 0.000 0.864 256 N CB 1.065 39.505 38.487 -0.078 0.000 1.063 256 N HN 0.823 nan 8.380 nan 0.000 0.474 257 A N 2.748 125.519 122.820 -0.083 0.000 2.664 257 A HA 0.091 4.449 4.320 0.064 0.000 0.222 257 A C 0.069 177.129 177.584 -0.874 0.000 1.320 257 A CA -0.353 51.493 52.037 -0.318 0.000 1.029 257 A CB -0.041 18.790 19.000 -0.281 0.000 1.318 257 A HN 0.649 nan 8.150 nan 0.000 0.589 258 D N 1.296 121.244 120.400 -0.753 0.000 2.401 258 D HA 0.205 4.884 4.640 0.064 0.000 0.254 258 D C -1.690 174.335 176.300 -0.458 0.000 1.192 258 D CA -1.466 51.998 54.000 -0.893 0.000 0.885 258 D CB 1.363 42.003 40.800 -0.267 0.000 1.147 258 D HN 0.019 nan 8.370 nan 0.000 0.478 259 P HA -0.098 nan 4.420 nan 0.000 0.219 259 P C 0.750 177.991 177.300 -0.099 0.000 1.146 259 P CA 1.145 64.151 63.100 -0.157 0.000 0.808 259 P CB 0.205 31.873 31.700 -0.053 0.000 0.779 260 A N -0.853 121.930 122.820 -0.063 0.000 2.168 260 A HA -0.034 4.324 4.320 0.064 0.000 0.215 260 A C 1.396 178.923 177.584 -0.095 0.000 1.152 260 A CA 1.718 53.728 52.037 -0.045 0.000 0.716 260 A CB -1.170 17.837 19.000 0.012 0.000 0.794 260 A HN 0.317 nan 8.150 nan 0.000 0.465 261 T N -3.690 110.790 114.554 -0.124 0.000 3.633 261 T HA 0.507 4.895 4.350 0.064 0.000 0.278 261 T C 0.637 175.227 174.700 -0.184 0.000 0.991 261 T CA 0.198 62.202 62.100 -0.160 0.000 1.036 261 T CB 0.046 68.903 68.868 -0.019 0.000 1.148 261 T HN 0.357 nan 8.240 nan 0.000 0.501 262 G N 0.660 109.338 108.800 -0.204 0.000 2.516 262 G HA2 0.496 4.494 3.960 0.064 0.000 0.276 262 G HA3 0.496 4.494 3.960 0.064 0.000 0.276 262 G C -1.036 173.703 174.900 -0.268 0.000 1.390 262 G CA -0.827 44.148 45.100 -0.208 0.000 1.050 262 G HN 0.495 nan 8.290 nan 0.000 0.519 263 Y N -0.237 120.041 120.300 -0.037 0.000 2.328 263 Y HA 0.303 4.891 4.550 0.063 0.000 0.337 263 Y C 0.674 176.567 175.900 -0.013 0.000 1.008 263 Y CA -0.593 57.504 58.100 -0.004 0.000 1.129 263 Y CB 1.458 39.901 38.460 -0.028 0.000 1.185 263 Y HN 0.354 nan 8.280 nan 0.000 0.476 264 E N 4.567 124.850 120.200 0.139 0.000 2.223 264 E HA 0.389 4.777 4.350 0.064 0.000 0.282 264 E C -1.147 175.556 176.600 0.173 0.000 1.046 264 E CA -0.129 56.336 56.400 0.108 0.000 0.857 264 E CB 0.703 30.450 29.700 0.080 0.000 1.055 264 E HN 0.587 nan 8.360 nan 0.000 0.409 265 V N 1.040 120.983 119.914 0.048 0.000 3.181 265 V HA 0.610 4.769 4.120 0.064 0.000 0.308 265 V C -0.721 175.281 176.094 -0.153 0.000 1.214 265 V CA -1.023 61.172 62.300 -0.175 0.000 1.053 265 V CB 2.000 33.663 31.823 -0.266 0.000 1.069 265 V HN 0.282 nan 8.190 nan 0.000 0.441 266 V N 3.203 122.928 119.914 -0.315 0.000 2.350 266 V HA 0.536 4.694 4.120 0.064 0.000 0.285 266 V C -0.714 175.279 176.094 -0.169 0.000 1.014 266 V CA -0.269 61.943 62.300 -0.147 0.000 0.831 266 V CB 1.191 32.980 31.823 -0.057 0.000 1.000 266 V HN 0.675 nan 8.190 nan 0.000 0.433 267 I N 3.817 124.328 120.570 -0.099 0.000 2.382 267 I HA 0.444 4.652 4.170 0.064 0.000 0.286 267 I C 0.279 176.374 176.117 -0.037 0.000 1.002 267 I CA -0.378 60.878 61.300 -0.073 0.000 1.135 267 I CB 1.280 39.243 38.000 -0.061 0.000 1.288 267 I HN 0.614 nan 8.210 nan 0.000 0.448 268 D N 5.474 125.860 120.400 -0.022 0.000 2.701 268 D HA -0.191 4.487 4.640 0.064 0.000 0.235 268 D C 1.324 177.618 176.300 -0.010 0.000 1.155 268 D CA 1.565 55.560 54.000 -0.008 0.000 0.649 268 D CB -0.881 39.916 40.800 -0.005 0.000 1.050 268 D HN 1.142 nan 8.370 nan 0.000 0.425 269 G N -0.086 108.706 108.800 -0.013 0.000 2.184 269 G HA2 -0.368 3.631 3.960 0.064 0.000 0.264 269 G HA3 -0.368 3.631 3.960 0.064 0.000 0.264 269 G C 0.119 175.014 174.900 -0.008 0.000 0.975 269 G CA 0.596 45.692 45.100 -0.007 0.000 0.642 269 G HN 0.627 nan 8.290 nan 0.000 0.536 270 E N 1.093 121.284 120.200 -0.015 0.000 2.156 270 E HA 0.514 4.902 4.350 0.064 0.000 0.279 270 E C -0.301 176.289 176.600 -0.016 0.000 0.965 270 E CA -0.363 56.029 56.400 -0.013 0.000 0.789 270 E CB 0.635 30.327 29.700 -0.014 0.000 1.098 270 E HN 0.084 nan 8.360 nan 0.000 0.397 271 T N 3.519 118.071 114.554 -0.004 0.000 2.794 271 T HA 0.265 4.653 4.350 0.064 0.000 0.296 271 T C -0.147 174.550 174.700 -0.005 0.000 0.949 271 T CA 0.051 62.154 62.100 0.005 0.000 1.101 271 T CB 1.223 70.103 68.868 0.020 0.000 0.905 271 T HN 0.506 nan 8.240 nan 0.000 0.516 272 T N 1.825 116.374 114.554 -0.009 0.000 2.648 272 T HA 0.585 4.974 4.350 0.064 0.000 0.304 272 T C -1.635 173.058 174.700 -0.011 0.000 1.312 272 T CA -0.497 61.594 62.100 -0.015 0.000 1.023 272 T CB 1.198 70.053 68.868 -0.022 0.000 1.612 272 T HN 0.284 nan 8.240 nan 0.000 0.487 273 V N 2.161 122.065 119.914 -0.016 0.000 2.540 273 V HA 0.682 4.840 4.120 0.064 0.000 0.302 273 V C -0.557 175.531 176.094 -0.010 0.000 1.035 273 V CA -0.616 61.677 62.300 -0.012 0.000 0.873 273 V CB 1.402 33.203 31.823 -0.036 0.000 0.992 273 V HN 0.697 nan 8.190 nan 0.000 0.428 274 I N 2.717 123.296 120.570 0.015 0.000 2.686 274 I HA 0.758 4.967 4.170 0.064 0.000 0.295 274 I C 0.536 176.678 176.117 0.043 0.000 1.114 274 I CA -0.279 61.021 61.300 0.000 0.000 1.038 274 I CB 2.502 40.483 38.000 -0.031 0.000 1.238 274 I HN 0.772 nan 8.210 nan 0.000 0.420 275 G N 2.469 111.250 108.800 -0.031 0.000 3.252 275 G HA2 0.820 4.818 3.960 0.064 0.000 0.181 275 G HA3 0.820 4.818 3.960 0.064 0.000 0.181 275 G C -0.268 174.528 174.900 -0.174 0.000 1.187 275 G CA -0.526 44.526 45.100 -0.080 0.000 0.886 275 G HN 1.103 nan 8.290 nan 0.000 0.615 276 G N -2.245 106.306 108.800 -0.415 0.000 2.707 276 G HA2 0.234 4.232 3.960 0.064 0.000 0.686 276 G HA3 0.234 4.232 3.960 0.064 0.000 0.686 276 G C 0.869 175.682 174.900 -0.146 0.000 1.315 276 G CA 0.611 45.530 45.100 -0.302 0.000 0.832 276 G HN 1.799 nan 8.290 nan 0.000 0.573 277 T N -1.872 112.728 114.554 0.076 0.000 3.051 277 T HA 0.038 4.426 4.350 0.064 0.000 0.269 277 T C 2.394 177.090 174.700 -0.008 0.000 1.127 277 T CA 2.057 64.204 62.100 0.079 0.000 1.107 277 T CB -0.131 68.848 68.868 0.186 0.000 0.898 277 T HN 0.945 nan 8.240 nan 0.000 0.517 278 S N 1.694 117.370 115.700 -0.040 0.000 2.420 278 S HA -0.003 4.505 4.470 0.064 0.000 0.237 278 S C 2.403 176.913 174.600 -0.150 0.000 1.023 278 S CA 1.044 59.187 58.200 -0.095 0.000 0.991 278 S CB -0.596 62.519 63.200 -0.141 0.000 0.792 278 S HN 0.825 nan 8.310 nan 0.000 0.488 279 A N 0.387 123.078 122.820 -0.215 0.000 2.072 279 A HA 0.147 4.506 4.320 0.064 0.000 0.216 279 A C 2.129 179.497 177.584 -0.360 0.000 1.156 279 A CA 0.560 52.361 52.037 -0.392 0.000 0.701 279 A CB -0.268 18.317 19.000 -0.692 0.000 0.816 279 A HN 0.360 nan 8.150 nan 0.000 0.458 280 V N -0.258 119.511 119.914 -0.242 0.000 2.488 280 V HA -0.136 4.023 4.120 0.064 0.000 0.246 280 V C 2.972 178.889 176.094 -0.294 0.000 1.046 280 V CA 1.562 63.667 62.300 -0.325 0.000 1.053 280 V CB -1.079 30.624 31.823 -0.201 0.000 0.679 280 V HN 0.548 nan 8.190 nan 0.000 0.458 281 A N 0.958 123.713 122.820 -0.109 0.000 1.877 281 A HA -0.096 4.262 4.320 0.064 0.000 0.216 281 A C 0.521 178.098 177.584 -0.011 0.000 1.186 281 A CA 2.018 54.048 52.037 -0.011 0.000 0.620 281 A CB -1.838 17.177 19.000 0.025 0.000 0.822 281 A HN 0.545 nan 8.150 nan 0.000 0.443 282 P HA -0.088 nan 4.420 nan 0.000 0.219 282 P C 1.655 178.956 177.300 0.001 0.000 1.150 282 P CA 0.689 63.776 63.100 -0.021 0.000 0.814 282 P CB -0.121 31.543 31.700 -0.060 0.000 0.787 283 L N -1.153 120.013 121.223 -0.095 0.000 1.989 283 L HA -0.126 4.252 4.340 0.064 0.000 0.211 283 L C 1.995 179.016 176.870 0.252 0.000 1.071 283 L CA 2.167 57.000 54.840 -0.012 0.000 0.749 283 L CB -1.397 40.507 42.059 -0.257 0.000 0.890 283 L HN -0.178 nan 8.230 nan 0.000 0.431 284 F N -0.059 119.993 119.950 0.169 0.000 2.456 284 F HA 0.167 4.721 4.527 0.046 0.000 0.298 284 F C 2.486 178.301 175.800 0.025 0.000 1.104 284 F CA 0.322 58.374 58.000 0.087 0.000 1.435 284 F CB -1.678 37.347 39.000 0.043 0.000 1.078 284 F HN 0.209 nan 8.300 nan 0.000 0.546 285 A N 0.286 123.224 122.820 0.198 0.000 1.902 285 A HA -0.032 4.326 4.320 0.064 0.000 0.217 285 A C 2.505 180.151 177.584 0.103 0.000 1.181 285 A CA 1.738 53.844 52.037 0.115 0.000 0.623 285 A CB -1.124 17.927 19.000 0.084 0.000 0.818 285 A HN 0.260 nan 8.150 nan 0.000 0.443 286 A N -0.473 122.439 122.820 0.154 0.000 1.902 286 A HA -0.016 4.342 4.320 0.064 0.000 0.217 286 A C 2.121 179.766 177.584 0.102 0.000 1.181 286 A CA 1.699 53.837 52.037 0.169 0.000 0.623 286 A CB -0.607 18.558 19.000 0.274 0.000 0.818 286 A HN 0.717 nan 8.150 nan 0.000 0.443 287 L N 0.081 121.307 121.223 0.004 0.000 2.017 287 L HA -0.117 4.261 4.340 0.064 0.000 0.208 287 L C 2.339 179.079 176.870 -0.217 0.000 1.073 287 L CA 2.058 56.642 54.840 -0.427 0.000 0.745 287 L CB -0.616 41.010 42.059 -0.722 0.000 0.894 287 L HN 0.146 nan 8.230 nan 0.000 0.432 288 V N 0.172 120.026 119.914 -0.101 0.000 2.407 288 V HA -0.265 3.894 4.120 0.064 0.000 0.248 288 V C 2.818 178.883 176.094 -0.048 0.000 1.055 288 V CA 1.510 63.765 62.300 -0.075 0.000 1.049 288 V CB -1.426 30.377 31.823 -0.032 0.000 0.662 288 V HN 0.622 nan 8.190 nan 0.000 0.455 289 A N 0.039 122.850 122.820 -0.017 0.000 1.933 289 A HA -0.213 4.146 4.320 0.064 0.000 0.218 289 A C 2.397 179.972 177.584 -0.015 0.000 1.175 289 A CA 1.704 53.739 52.037 -0.003 0.000 0.628 289 A CB -0.447 18.566 19.000 0.020 0.000 0.814 289 A HN 0.514 nan 8.150 nan 0.000 0.444 290 R N -0.650 119.834 120.500 -0.026 0.000 2.075 290 R HA -0.008 4.370 4.340 0.064 0.000 0.232 290 R C 1.997 178.267 176.300 -0.049 0.000 1.126 290 R CA 1.508 57.591 56.100 -0.028 0.000 0.963 290 R CB -0.468 29.816 30.300 -0.027 0.000 0.858 290 R HN 0.556 nan 8.270 nan 0.000 0.435 291 I N 1.328 121.850 120.570 -0.080 0.000 2.179 291 I HA -0.276 3.932 4.170 0.064 0.000 0.242 291 I C 1.684 177.767 176.117 -0.056 0.000 1.088 291 I CA 1.104 62.355 61.300 -0.083 0.000 1.357 291 I CB -0.338 37.593 38.000 -0.114 0.000 1.051 291 I HN 0.151 nan 8.210 nan 0.000 0.409 292 N N 0.594 119.266 118.700 -0.045 0.000 2.104 292 N HA -0.256 4.522 4.740 0.064 0.000 0.190 292 N C 1.749 177.246 175.510 -0.023 0.000 1.024 292 N CA 1.163 54.195 53.050 -0.030 0.000 0.853 292 N CB -0.427 38.048 38.487 -0.020 0.000 1.008 292 N HN 0.450 nan 8.380 nan 0.000 0.424 293 Q N 0.635 120.423 119.800 -0.020 0.000 2.061 293 Q HA -0.197 4.181 4.340 0.064 0.000 0.204 293 Q C 1.808 177.798 176.000 -0.017 0.000 0.984 293 Q CA 1.677 57.472 55.803 -0.014 0.000 0.846 293 Q CB 0.025 28.757 28.738 -0.010 0.000 0.902 293 Q HN 0.068 nan 8.270 nan 0.000 0.421 294 K N 0.470 120.856 120.400 -0.024 0.000 2.025 294 K HA -0.072 4.287 4.320 0.064 0.000 0.207 294 K C 1.963 178.548 176.600 -0.025 0.000 1.049 294 K CA 1.279 57.552 56.287 -0.024 0.000 0.933 294 K CB -0.334 32.147 32.500 -0.031 0.000 0.714 294 K HN 0.303 nan 8.250 nan 0.000 0.438 295 L N -0.944 120.261 121.223 -0.030 0.000 2.275 295 L HA 0.062 4.440 4.340 0.064 0.000 0.215 295 L C 1.562 178.420 176.870 -0.021 0.000 1.119 295 L CA 0.882 55.705 54.840 -0.028 0.000 0.790 295 L CB -0.553 41.486 42.059 -0.034 0.000 0.919 295 L HN 0.614 nan 8.230 nan 0.000 0.443 296 G N 0.404 109.194 108.800 -0.017 0.000 2.179 296 G HA2 -0.266 3.732 3.960 0.064 0.000 0.260 296 G HA3 -0.266 3.732 3.960 0.064 0.000 0.260 296 G C 0.213 175.107 174.900 -0.010 0.000 0.977 296 G CA 0.676 45.768 45.100 -0.012 0.000 0.641 296 G HN 0.411 nan 8.290 nan 0.000 0.533 297 K N -0.311 120.081 120.400 -0.013 0.000 2.532 297 K HA 0.636 4.994 4.320 0.064 0.000 0.265 297 K C -3.423 173.168 176.600 -0.014 0.000 0.948 297 K CA -2.170 54.111 56.287 -0.011 0.000 0.842 297 K CB 2.545 35.039 32.500 -0.010 0.000 1.392 297 K HN 0.079 nan 8.250 nan 0.000 0.436 298 P HA 0.014 nan 4.420 nan 0.000 0.275 298 P C 1.170 178.461 177.300 -0.014 0.000 1.227 298 P CA -0.480 62.614 63.100 -0.010 0.000 0.781 298 P CB 1.009 32.707 31.700 -0.004 0.000 0.906 299 V N 0.247 120.147 119.914 -0.022 0.000 2.809 299 V HA 0.115 4.273 4.120 0.064 0.000 0.256 299 V C 1.406 177.493 176.094 -0.011 0.000 1.080 299 V CA 1.261 63.543 62.300 -0.030 0.000 1.102 299 V CB -1.893 29.898 31.823 -0.052 0.000 0.705 299 V HN 0.885 nan 8.190 nan 0.000 0.475 300 G N 0.130 108.933 108.800 0.006 0.000 2.611 300 G HA2 -0.405 3.593 3.960 0.064 0.000 0.301 300 G HA3 -0.405 3.593 3.960 0.064 0.000 0.301 300 G C 0.021 174.974 174.900 0.087 0.000 1.233 300 G CA 0.620 45.744 45.100 0.040 0.000 0.993 300 G HN 1.013 nan 8.290 nan 0.000 0.553 301 Y N 1.321 121.593 120.300 -0.047 0.000 2.650 301 Y HA 0.425 5.006 4.550 0.051 0.000 0.342 301 Y C 1.663 177.496 175.900 -0.112 0.000 1.110 301 Y CA -0.257 57.805 58.100 -0.063 0.000 1.438 301 Y CB 0.116 38.562 38.460 -0.022 0.000 1.181 301 Y HN 0.395 nan 8.280 nan 0.000 0.526 302 L N 5.303 126.402 121.223 -0.206 0.000 2.463 302 L HA -0.036 4.342 4.340 0.064 0.000 0.219 302 L C 1.747 178.301 176.870 -0.527 0.000 1.088 302 L CA 0.241 54.894 54.840 -0.312 0.000 0.849 302 L CB -0.209 41.750 42.059 -0.166 0.000 1.012 302 L HN 0.737 nan 8.230 nan 0.000 0.468 303 N N 0.834 119.040 118.700 -0.823 0.000 2.037 303 N HA -0.209 4.569 4.740 0.064 0.000 0.196 303 N C -1.028 173.838 175.510 -1.074 0.000 1.034 303 N CA 1.388 53.861 53.050 -0.962 0.000 0.861 303 N CB -0.928 36.735 38.487 -1.374 0.000 1.039 303 N HN 0.232 nan 8.380 nan 0.000 0.427 304 P HA -0.078 nan 4.420 nan 0.000 0.215 304 P C 1.258 178.382 177.300 -0.292 0.000 1.153 304 P CA 1.416 64.043 63.100 -0.788 0.000 0.853 304 P CB -0.032 31.290 31.700 -0.630 0.000 0.788 305 T N -0.323 114.050 114.554 -0.302 0.000 2.777 305 T HA -0.070 4.318 4.350 0.064 0.000 0.266 305 T C 1.745 176.403 174.700 -0.070 0.000 1.040 305 T CA 1.006 63.018 62.100 -0.146 0.000 1.141 305 T CB -0.954 67.823 68.868 -0.152 0.000 0.868 305 T HN 0.044 nan 8.240 nan 0.000 0.444 306 L N -0.334 120.835 121.223 -0.090 0.000 2.042 306 L HA -0.137 4.241 4.340 0.064 0.000 0.210 306 L C 2.168 179.032 176.870 -0.010 0.000 1.076 306 L CA 1.568 56.403 54.840 -0.008 0.000 0.749 306 L CB -0.645 41.371 42.059 -0.071 0.000 0.893 306 L HN 0.311 nan 8.230 nan 0.000 0.432 307 Y N 0.326 120.603 120.300 -0.038 0.000 2.632 307 Y HA -0.160 4.419 4.550 0.048 0.000 0.301 307 Y C 2.021 177.945 175.900 0.040 0.000 1.172 307 Y CA 0.556 58.670 58.100 0.023 0.000 1.328 307 Y CB -0.159 38.364 38.460 0.105 0.000 1.016 307 Y HN 0.428 nan 8.280 nan 0.000 0.529 308 Q N -1.241 118.639 119.800 0.133 0.000 2.149 308 Q HA 0.264 4.642 4.340 0.064 0.000 0.221 308 Q C -0.347 175.690 176.000 0.062 0.000 0.807 308 Q CA 0.091 55.949 55.803 0.090 0.000 1.000 308 Q CB -0.236 28.543 28.738 0.068 0.000 1.157 308 Q HN 0.259 nan 8.270 nan 0.000 0.487 309 L N 1.740 123.008 121.223 0.075 0.000 2.453 309 L HA 0.428 4.806 4.340 0.064 0.000 0.261 309 L C -1.855 175.056 176.870 0.069 0.000 1.179 309 L CA -2.251 52.620 54.840 0.052 0.000 0.813 309 L CB 0.271 42.352 42.059 0.036 0.000 1.110 309 L HN 0.027 nan 8.230 nan 0.000 0.466 310 P HA 0.025 nan 4.420 nan 0.000 0.266 310 P C -1.943 175.393 177.300 0.060 0.000 1.195 310 P CA -0.916 62.199 63.100 0.024 0.000 0.768 310 P CB 0.098 31.790 31.700 -0.014 0.000 0.838 311 P HA -0.203 nan 4.420 nan 0.000 0.219 311 P C 0.917 178.273 177.300 0.095 0.000 1.146 311 P CA 1.450 64.624 63.100 0.124 0.000 0.808 311 P CB 0.003 31.748 31.700 0.076 0.000 0.779 312 E N 0.187 120.400 120.200 0.023 0.000 2.401 312 E HA -0.061 4.328 4.350 0.064 0.000 0.199 312 E C 1.796 178.347 176.600 -0.082 0.000 1.023 312 E CA 0.639 57.034 56.400 -0.009 0.000 0.859 312 E CB -1.212 28.477 29.700 -0.018 0.000 0.780 312 E HN 0.161 nan 8.360 nan 0.000 0.523 313 V N 0.289 120.088 119.914 -0.192 0.000 2.809 313 V HA -0.058 4.100 4.120 0.064 0.000 0.256 313 V C 0.655 176.322 176.094 -0.712 0.000 1.080 313 V CA 1.087 63.089 62.300 -0.497 0.000 1.102 313 V CB -0.683 30.701 31.823 -0.732 0.000 0.705 313 V HN 0.079 nan 8.190 nan 0.000 0.475 314 F N -1.518 118.394 119.950 -0.063 0.000 2.561 314 F HA 0.482 5.049 4.527 0.068 0.000 0.321 314 F C 0.253 176.059 175.800 0.010 0.000 1.065 314 F CA -0.978 56.987 58.000 -0.060 0.000 0.934 314 F CB 0.983 39.922 39.000 -0.102 0.000 1.215 314 F HN -0.129 nan 8.300 nan 0.000 0.471 315 H N 2.367 121.515 119.070 0.131 0.000 2.640 315 H HA 0.108 4.701 4.556 0.061 0.000 0.297 315 H C -1.052 174.321 175.328 0.076 0.000 1.073 315 H CA -0.616 55.484 56.048 0.086 0.000 1.305 315 H CB 0.761 30.573 29.762 0.084 0.000 1.404 315 H HN 0.582 nan 8.280 nan 0.000 0.459 316 D N 5.119 125.398 120.400 -0.202 0.000 2.371 316 D HA 0.058 4.737 4.640 0.064 0.000 0.256 316 D C -0.251 175.914 176.300 -0.225 0.000 1.193 316 D CA -0.204 53.694 54.000 -0.170 0.000 0.881 316 D CB 0.321 41.046 40.800 -0.124 0.000 1.143 316 D HN 0.412 nan 8.370 nan 0.000 0.473 317 I N 2.899 123.403 120.570 -0.111 0.000 2.365 317 I HA 0.151 4.360 4.170 0.064 0.000 0.291 317 I C 1.583 177.660 176.117 -0.067 0.000 1.004 317 I CA 0.102 61.369 61.300 -0.056 0.000 1.311 317 I CB 1.671 39.676 38.000 0.010 0.000 1.401 317 I HN 0.495 nan 8.210 nan 0.000 0.491 318 T N 0.579 115.106 114.554 -0.046 0.000 3.004 318 T HA 0.285 4.673 4.350 0.064 0.000 0.266 318 T C 0.345 175.037 174.700 -0.014 0.000 0.986 318 T CA -0.306 61.772 62.100 -0.037 0.000 0.902 318 T CB 0.000 68.847 68.868 -0.037 0.000 1.118 318 T HN 0.509 nan 8.240 nan 0.000 0.522 319 E N 0.478 120.680 120.200 0.002 0.000 2.187 319 E HA 0.560 4.948 4.350 0.064 0.000 0.268 319 E C -0.053 176.562 176.600 0.024 0.000 0.896 319 E CA -0.267 56.142 56.400 0.015 0.000 0.766 319 E CB 1.289 31.004 29.700 0.026 0.000 1.142 319 E HN 0.576 nan 8.360 nan 0.000 0.408 320 G N 2.843 111.655 108.800 0.019 0.000 2.479 320 G HA2 -0.060 3.938 3.960 0.064 0.000 0.686 320 G HA3 -0.060 3.938 3.960 0.064 0.000 0.686 320 G C -1.353 173.554 174.900 0.012 0.000 1.295 320 G CA -0.436 44.678 45.100 0.023 0.000 0.922 320 G HN 0.872 nan 8.290 nan 0.000 0.582 321 N N -1.561 117.145 118.700 0.009 0.000 2.610 321 N HA 0.627 5.405 4.740 0.064 0.000 0.264 321 N C -0.046 175.462 175.510 -0.004 0.000 1.348 321 N CA -0.315 52.738 53.050 0.005 0.000 0.819 321 N CB 1.327 39.812 38.487 -0.004 0.000 1.521 321 N HN 0.805 nan 8.380 nan 0.000 0.497 322 N N -0.835 117.870 118.700 0.008 0.000 2.389 322 N HA 0.104 4.882 4.740 0.064 0.000 0.260 322 N C -1.209 174.302 175.510 0.003 0.000 1.191 322 N CA -0.235 52.807 53.050 -0.013 0.000 0.885 322 N CB 0.009 38.503 38.487 0.011 0.000 1.162 322 N HN 0.617 nan 8.380 nan 0.000 0.512 323 D N 1.372 121.773 120.400 0.001 0.000 2.313 323 D HA 0.147 4.825 4.640 0.064 0.000 0.239 323 D C 1.093 177.395 176.300 0.005 0.000 1.142 323 D CA -0.465 53.553 54.000 0.029 0.000 0.847 323 D CB 0.948 41.758 40.800 0.017 0.000 1.082 323 D HN 0.441 nan 8.370 nan 0.000 0.480 324 I N 0.679 121.255 120.570 0.009 0.000 4.081 324 I HA 0.400 4.608 4.170 0.064 0.000 0.333 324 I C 0.930 177.048 176.117 0.002 0.000 1.413 324 I CA -0.440 60.850 61.300 -0.016 0.000 1.110 324 I CB 0.805 38.772 38.000 -0.055 0.000 1.082 324 I HN 0.211 nan 8.210 nan 0.000 0.402 325 A N 1.884 124.719 122.820 0.024 0.000 2.035 325 A HA 0.300 4.658 4.320 0.064 0.000 0.208 325 A C 0.823 178.412 177.584 0.008 0.000 1.206 325 A CA 0.599 52.642 52.037 0.009 0.000 0.773 325 A CB -0.037 18.959 19.000 -0.007 0.000 0.878 325 A HN 0.694 nan 8.150 nan 0.000 0.469 326 N N -2.468 116.247 118.700 0.025 0.000 3.449 326 N HA 0.233 5.012 4.740 0.064 0.000 0.312 326 N C -0.886 174.636 175.510 0.020 0.000 1.582 326 N CA -0.842 52.220 53.050 0.020 0.000 0.850 326 N CB 0.353 38.856 38.487 0.026 0.000 1.822 326 N HN -0.125 nan 8.380 nan 0.000 0.577 327 R N -0.524 119.984 120.500 0.015 0.000 2.427 327 R HA 0.278 4.656 4.340 0.064 0.000 0.262 327 R C 0.971 177.272 176.300 0.002 0.000 0.943 327 R CA 0.087 56.191 56.100 0.007 0.000 1.081 327 R CB -0.332 29.970 30.300 0.004 0.000 1.166 327 R HN 0.668 nan 8.270 nan 0.000 0.534 328 A N 1.183 124.008 122.820 0.008 0.000 2.206 328 A HA -0.013 4.346 4.320 0.064 0.000 0.211 328 A C 0.637 178.190 177.584 -0.051 0.000 1.158 328 A CA 0.019 52.048 52.037 -0.014 0.000 0.761 328 A CB -0.179 18.822 19.000 0.002 0.000 0.801 328 A HN 0.345 nan 8.150 nan 0.000 0.473 329 R N -1.711 118.763 120.500 -0.043 0.000 3.422 329 R HA -0.160 4.218 4.340 0.064 0.000 0.267 329 R C -1.043 175.181 176.300 -0.127 0.000 1.074 329 R CA 0.829 56.895 56.100 -0.058 0.000 0.718 329 R CB -2.150 28.129 30.300 -0.036 0.000 1.157 329 R HN 0.555 nan 8.270 nan 0.000 0.440 330 I N 1.299 121.733 120.570 -0.226 0.000 2.330 330 I HA 0.269 4.477 4.170 0.064 0.000 0.289 330 I C 0.293 176.149 176.117 -0.434 0.000 1.001 330 I CA -0.619 60.340 61.300 -0.569 0.000 1.193 330 I CB 0.638 38.026 38.000 -1.020 0.000 1.345 330 I HN -0.044 nan 8.210 nan 0.000 0.461 331 Y N 4.254 124.468 120.300 -0.144 0.000 2.545 331 Y HA 0.499 5.094 4.550 0.076 0.000 0.324 331 Y C 0.276 176.126 175.900 -0.083 0.000 1.220 331 Y CA -0.519 57.504 58.100 -0.127 0.000 1.290 331 Y CB 0.955 39.352 38.460 -0.104 0.000 1.355 331 Y HN 0.440 nan 8.280 nan 0.000 0.516 332 Q N 0.673 120.532 119.800 0.099 0.000 2.345 332 Q HA 0.738 5.116 4.340 0.064 0.000 0.268 332 Q C -1.098 174.907 176.000 0.009 0.000 1.054 332 Q CA -0.975 54.847 55.803 0.032 0.000 0.835 332 Q CB 1.856 30.601 28.738 0.012 0.000 1.339 332 Q HN 0.834 nan 8.270 nan 0.000 0.447 333 A N 1.431 124.241 122.820 -0.017 0.000 2.313 333 A HA 0.845 5.203 4.320 0.064 0.000 0.261 333 A C 0.143 177.708 177.584 -0.031 0.000 1.090 333 A CA 0.590 52.596 52.037 -0.051 0.000 0.807 333 A CB 0.609 19.582 19.000 -0.045 0.000 1.055 333 A HN 0.848 nan 8.150 nan 0.000 0.492 334 G N -0.908 107.866 108.800 -0.044 0.000 2.430 334 G HA2 0.577 4.575 3.960 0.064 0.000 0.300 334 G HA3 0.577 4.575 3.960 0.064 0.000 0.300 334 G C -3.379 171.505 174.900 -0.027 0.000 1.330 334 G CA -0.579 44.509 45.100 -0.020 0.000 0.813 334 G HN 0.600 nan 8.290 nan 0.000 0.487 335 P HA 0.420 nan 4.420 nan 0.000 0.268 335 P C 0.883 178.188 177.300 0.008 0.000 1.204 335 P CA 1.706 64.800 63.100 -0.009 0.000 0.768 335 P CB 0.943 32.644 31.700 0.002 0.000 0.842 336 G N 2.699 111.498 108.800 -0.001 0.000 2.632 336 G HA2 -0.238 3.761 3.960 0.064 0.000 0.224 336 G HA3 -0.238 3.761 3.960 0.064 0.000 0.224 336 G C -1.060 173.862 174.900 0.036 0.000 1.341 336 G CA -0.331 44.790 45.100 0.034 0.000 0.880 336 G HN 0.637 nan 8.290 nan 0.000 0.566 337 W N 2.354 123.615 121.300 -0.065 0.000 2.193 337 W HA 0.466 5.143 4.660 0.028 0.000 0.338 337 W C 0.558 177.058 176.519 -0.032 0.000 1.310 337 W CA 1.073 58.381 57.345 -0.061 0.000 1.243 337 W CB 0.396 29.854 29.460 -0.002 0.000 1.165 337 W HN 0.951 nan 8.180 nan 0.000 0.566 338 D N 3.748 123.612 120.400 -0.894 0.000 2.570 338 D HA 0.367 5.045 4.640 0.064 0.000 0.244 338 D C -2.613 172.809 176.300 -1.464 0.000 1.178 338 D CA -1.930 51.621 54.000 -0.749 0.000 0.881 338 D CB 1.787 42.400 40.800 -0.312 0.000 1.453 338 D HN 0.044 nan 8.370 nan 0.000 0.447 339 P HA 0.223 nan 4.420 nan 0.000 0.255 339 P C -0.012 177.106 177.300 -0.303 0.000 1.427 339 P CA 0.036 62.817 63.100 -0.531 0.000 0.863 339 P CB -0.114 31.327 31.700 -0.433 0.000 1.444 340 C N -2.469 116.648 119.300 -0.306 0.000 2.735 340 C HA 0.143 4.641 4.460 0.064 0.000 0.444 340 C C 1.868 176.773 174.990 -0.143 0.000 1.331 340 C CA 1.053 59.990 59.018 -0.135 0.000 2.225 340 C CB -0.530 27.169 27.740 -0.069 0.000 2.917 340 C HN 0.300 nan 8.230 nan 0.000 0.567 341 T N -2.608 111.785 114.554 -0.268 0.000 3.087 341 T HA 0.483 4.871 4.350 0.064 0.000 0.283 341 T C 1.101 175.599 174.700 -0.337 0.000 0.956 341 T CA 1.145 63.125 62.100 -0.200 0.000 0.894 341 T CB 0.242 69.042 68.868 -0.114 0.000 1.160 341 T HN 0.895 nan 8.240 nan 0.000 0.532 342 G N 2.801 111.181 108.800 -0.699 0.000 2.583 342 G HA2 -0.312 3.686 3.960 0.064 0.000 0.292 342 G HA3 -0.312 3.686 3.960 0.064 0.000 0.292 342 G C 0.599 175.084 174.900 -0.692 0.000 1.203 342 G CA 0.305 44.855 45.100 -0.915 0.000 0.987 342 G HN 0.542 nan 8.290 nan 0.000 0.554 343 L N 2.619 123.571 121.223 -0.452 0.000 2.552 343 L HA 0.422 4.801 4.340 0.064 0.000 0.227 343 L C 1.851 178.436 176.870 -0.476 0.000 1.146 343 L CA 1.033 55.499 54.840 -0.623 0.000 0.858 343 L CB -1.094 40.146 42.059 -1.364 0.000 0.969 343 L HN 1.904 nan 8.230 nan 0.000 0.451 344 G N -0.231 108.397 108.800 -0.286 0.000 2.472 344 G HA2 -0.203 3.795 3.960 0.064 0.000 0.205 344 G HA3 -0.203 3.795 3.960 0.064 0.000 0.205 344 G C -0.382 174.520 174.900 0.004 0.000 1.270 344 G CA -0.299 44.747 45.100 -0.089 0.000 0.974 344 G HN 0.252 nan 8.290 nan 0.000 0.542 345 S N 1.637 117.380 115.700 0.072 0.000 2.499 345 S HA 0.735 5.244 4.470 0.064 0.000 0.279 345 S C -2.071 172.490 174.600 -0.065 0.000 1.219 345 S CA -0.623 57.528 58.200 -0.082 0.000 1.062 345 S CB 2.162 65.192 63.200 -0.284 0.000 0.978 345 S HN 0.767 nan 8.310 nan 0.000 0.489 346 P HA 0.258 nan 4.420 nan 0.000 0.274 346 P C -0.756 176.412 177.300 -0.219 0.000 1.231 346 P CA -0.497 62.430 63.100 -0.288 0.000 0.790 346 P CB 0.460 31.853 31.700 -0.510 0.000 0.951 347 I N 2.683 123.118 120.570 -0.224 0.000 2.337 347 I HA 0.123 4.331 4.170 0.064 0.000 0.285 347 I C 1.927 177.962 176.117 -0.136 0.000 1.041 347 I CA -0.078 61.170 61.300 -0.087 0.000 1.199 347 I CB 0.162 38.113 38.000 -0.081 0.000 1.370 347 I HN 0.531 nan 8.210 nan 0.000 0.470 348 G N 6.073 114.842 108.800 -0.052 0.000 2.599 348 G HA2 -0.310 3.688 3.960 0.064 0.000 0.219 348 G HA3 -0.310 3.688 3.960 0.064 0.000 0.219 348 G C 1.430 176.254 174.900 -0.127 0.000 1.193 348 G CA 0.824 45.845 45.100 -0.132 0.000 0.778 348 G HN 0.555 nan 8.290 nan 0.000 0.589 349 I N 0.769 121.306 120.570 -0.054 0.000 2.361 349 I HA -0.045 4.163 4.170 0.064 0.000 0.251 349 I C 2.782 178.845 176.117 -0.090 0.000 1.133 349 I CA 1.020 62.287 61.300 -0.056 0.000 1.413 349 I CB -0.230 37.759 38.000 -0.018 0.000 1.073 349 I HN 0.109 nan 8.210 nan 0.000 0.424 350 R N -0.580 119.852 120.500 -0.114 0.000 2.090 350 R HA -0.080 4.298 4.340 0.064 0.000 0.228 350 R C 2.145 178.328 176.300 -0.195 0.000 1.110 350 R CA 1.333 57.348 56.100 -0.141 0.000 0.973 350 R CB -0.615 29.594 30.300 -0.152 0.000 0.869 350 R HN 0.315 nan 8.270 nan 0.000 0.440 351 L N 1.200 122.271 121.223 -0.254 0.000 2.046 351 L HA -0.123 4.255 4.340 0.064 0.000 0.208 351 L C 2.034 178.787 176.870 -0.196 0.000 1.077 351 L CA 1.462 56.130 54.840 -0.286 0.000 0.747 351 L CB -0.527 41.323 42.059 -0.348 0.000 0.896 351 L HN 0.109 nan 8.230 nan 0.000 0.432 352 L N -0.426 120.698 121.223 -0.165 0.000 2.017 352 L HA -0.219 4.159 4.340 0.064 0.000 0.208 352 L C 2.458 179.268 176.870 -0.100 0.000 1.073 352 L CA 1.811 56.576 54.840 -0.124 0.000 0.745 352 L CB -0.858 41.138 42.059 -0.105 0.000 0.894 352 L HN 0.439 nan 8.230 nan 0.000 0.432 353 Q N -0.517 119.225 119.800 -0.095 0.000 2.096 353 Q HA -0.190 4.188 4.340 0.064 0.000 0.204 353 Q C 2.170 178.123 176.000 -0.078 0.000 0.982 353 Q CA 1.743 57.500 55.803 -0.076 0.000 0.850 353 Q CB -0.388 28.308 28.738 -0.069 0.000 0.901 353 Q HN 0.716 nan 8.270 nan 0.000 0.422 354 A N 0.284 123.044 122.820 -0.100 0.000 2.066 354 A HA -0.060 4.298 4.320 0.064 0.000 0.218 354 A C 1.759 179.293 177.584 -0.084 0.000 1.157 354 A CA 0.784 52.765 52.037 -0.094 0.000 0.670 354 A CB -0.199 18.728 19.000 -0.121 0.000 0.804 354 A HN 0.281 nan 8.150 nan 0.000 0.453 355 L N -0.654 120.515 121.223 -0.089 0.000 2.592 355 L HA 0.242 4.620 4.340 0.064 0.000 0.227 355 L C -0.262 176.572 176.870 -0.061 0.000 1.127 355 L CA -0.182 54.611 54.840 -0.078 0.000 0.884 355 L CB -0.076 41.928 42.059 -0.091 0.000 1.065 355 L HN 0.232 nan 8.230 nan 0.000 0.457 356 L N 0.828 122.018 121.223 -0.056 0.000 2.325 356 L HA 0.430 4.808 4.340 0.064 0.000 0.279 356 L C -1.733 175.116 176.870 -0.037 0.000 1.054 356 L CA -1.620 53.194 54.840 -0.043 0.000 0.804 356 L CB 0.587 42.621 42.059 -0.041 0.000 1.200 356 L HN -0.082 nan 8.230 nan 0.000 0.436 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 357 P CB 0.000 31.687 31.700 -0.021 0.000 0.726