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 1mhy_1_B DATA FIRST_RESID 11 DATA SEQUENCE KRGLTDPERA AIIAAAVPDH ALDTQRKYHY FIQPRWKPLS EYEQLSCYAQ DATA SEQUENCE PNPDWIAGGL DWGDWTQKFH GGRPSWGNES TELRTTDWYR HRDPARRWHH DATA SEQUENCE PYVKDKSEEA RYTQRFLAAY SSEGSIRTID PYWRDEILNK YFGALLYSEY DATA SEQUENCE GLFNAHSSVG RDCLSDTIRQ TAVFAALDKV DNAQMIQMER LFIAKLVPGF DATA SEQUENCE DASTDVPKKI WTTDPIYSGA RATVQEIWQG VQDWNEILWA GHAVYDATFG DATA SEQUENCE QFARREFFQR LATVYGDTLT PFFTAQSQTY FQTTRGAIDD LFVYCLANDS DATA SEQUENCE EFGAHNRTFL NAWTEHYLAS SVAALKDFVG LYAKVEKVAG ATDSAGVSEA DATA SEQUENCE LQRVFGDWKI DYADKIGFRV DVDQKVDAVL AGY 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.601 176.600 0.002 0.000 0.988 11 K CA 0.000 56.288 56.287 0.002 0.000 0.838 11 K CB 0.000 32.501 32.500 0.002 0.000 1.064 12 R N 2.648 123.149 120.500 0.001 0.000 2.265 12 R HA 0.339 nan 4.340 nan 0.000 0.319 12 R C 0.900 177.200 176.300 0.001 0.000 1.006 12 R CA -0.637 55.464 56.100 0.001 0.000 0.880 12 R CB 1.364 31.665 30.300 0.001 0.000 1.077 12 R HN 0.660 8.930 8.270 0.001 0.000 0.454 13 G N 4.575 113.375 108.800 0.001 0.000 2.479 13 G HA2 -0.275 nan 3.960 nan 0.000 0.220 13 G HA3 -0.275 nan 3.960 nan 0.000 0.220 13 G C -0.055 174.845 174.900 0.000 0.000 1.115 13 G CA 1.691 46.791 45.100 0.000 0.000 0.757 13 G HN 0.710 9.001 8.290 0.001 0.000 0.560 14 L N -1.023 120.200 121.223 -0.000 0.000 2.131 14 L HA 0.035 nan 4.340 nan 0.000 0.206 14 L C 1.116 177.986 176.870 0.000 0.000 1.087 14 L CA 1.913 56.753 54.840 -0.000 0.000 0.767 14 L CB 0.389 42.448 42.059 -0.001 0.000 0.917 14 L HN -0.495 7.696 8.230 0.000 0.039 0.441 15 T N -6.833 107.721 114.554 0.000 0.000 2.990 15 T HA 0.025 nan 4.350 nan 0.000 0.250 15 T C 0.399 175.099 174.700 0.001 0.000 1.041 15 T CA -0.304 61.796 62.100 0.001 0.000 1.010 15 T CB 0.556 69.425 68.868 0.001 0.000 1.003 15 T HN -0.620 7.621 8.240 0.001 0.000 0.499 16 D N 4.361 124.762 120.400 0.001 0.000 2.371 16 D HA 0.272 nan 4.640 nan 0.000 0.256 16 D C -0.922 175.379 176.300 0.001 0.000 1.193 16 D CA -1.720 52.280 54.000 0.001 0.000 0.881 16 D CB 1.269 42.070 40.800 0.001 0.000 1.143 16 D HN -0.419 7.951 8.370 0.001 0.000 0.473 17 P HA -0.270 nan 4.420 nan 0.000 0.216 17 P C 0.946 178.247 177.300 0.001 0.000 1.153 17 P CA 2.496 65.597 63.100 0.001 0.000 0.858 17 P CB 0.070 31.771 31.700 0.001 0.000 0.789 18 E N -2.515 117.686 120.200 0.002 0.000 2.072 18 E HA -0.258 nan 4.350 nan 0.000 0.190 18 E C 2.253 178.854 176.600 0.002 0.000 0.982 18 E CA 2.886 59.287 56.400 0.002 0.000 0.803 18 E CB -0.866 28.835 29.700 0.002 0.000 0.755 18 E HN -0.069 8.371 8.360 0.002 -0.078 0.453 19 R N -0.219 120.282 120.500 0.001 0.000 2.075 19 R HA -0.266 nan 4.340 nan 0.000 0.232 19 R C 2.408 178.708 176.300 0.001 0.000 1.126 19 R CA 2.941 59.042 56.100 0.001 0.000 0.963 19 R CB -0.092 30.209 30.300 0.001 0.000 0.858 19 R HN -0.361 8.197 8.270 0.001 -0.287 0.435 20 A N -0.945 121.876 122.820 0.001 0.000 1.908 20 A HA -0.241 nan 4.320 nan 0.000 0.218 20 A C 1.838 179.423 177.584 0.001 0.000 1.181 20 A CA 3.046 55.083 52.037 0.000 0.000 0.627 20 A CB -0.977 18.023 19.000 0.001 0.000 0.818 20 A HN 0.313 8.464 8.150 0.001 0.000 0.445 21 A N -1.215 121.605 122.820 0.001 0.000 1.877 21 A HA -0.295 nan 4.320 nan 0.000 0.216 21 A C 2.109 179.694 177.584 0.002 0.000 1.186 21 A CA 2.926 54.964 52.037 0.002 0.000 0.620 21 A CB -0.723 18.279 19.000 0.002 0.000 0.822 21 A HN -0.352 7.719 8.150 0.001 0.080 0.443 22 I N -1.180 119.391 120.570 0.001 0.000 2.226 22 I HA -0.580 nan 4.170 nan 0.000 0.245 22 I C 1.998 178.115 176.117 0.001 0.000 1.100 22 I CA 4.280 65.581 61.300 0.001 0.000 1.374 22 I CB 0.022 38.023 38.000 0.001 0.000 1.057 22 I HN -0.261 7.886 8.210 0.001 0.064 0.413 23 I N -0.732 119.837 120.570 -0.000 0.000 2.226 23 I HA -0.582 nan 4.170 nan 0.000 0.245 23 I C 1.533 177.648 176.117 -0.003 0.000 1.100 23 I CA 4.030 65.329 61.300 -0.002 0.000 1.374 23 I CB -0.309 37.690 38.000 -0.002 0.000 1.057 23 I HN 0.224 8.325 8.210 0.000 0.109 0.413 24 A N -1.457 121.362 122.820 -0.001 0.000 1.972 24 A HA -0.267 nan 4.320 nan 0.000 0.219 24 A C 1.900 179.484 177.584 -0.000 0.000 1.169 24 A CA 2.789 54.826 52.037 -0.001 0.000 0.635 24 A CB -0.954 18.046 19.000 0.001 0.000 0.810 24 A HN 0.039 8.109 8.150 -0.000 0.080 0.446 25 A N -1.807 121.014 122.820 0.001 0.000 1.969 25 A HA -0.164 nan 4.320 nan 0.000 0.218 25 A C 1.258 178.843 177.584 0.002 0.000 1.169 25 A CA 2.227 54.266 52.037 0.003 0.000 0.635 25 A CB -0.215 18.788 19.000 0.004 0.000 0.810 25 A HN -0.179 7.863 8.150 0.001 0.108 0.445 26 A N -2.155 120.664 122.820 -0.001 0.000 2.067 26 A HA -0.059 nan 4.320 nan 0.000 0.217 26 A C 0.091 177.668 177.584 -0.012 0.000 1.156 26 A CA 0.909 52.943 52.037 -0.004 0.000 0.683 26 A CB 0.398 19.395 19.000 -0.004 0.000 0.808 26 A HN -0.502 7.547 8.150 -0.002 0.100 0.455 27 V N 2.287 122.192 119.914 -0.015 0.000 2.508 27 V HA 0.046 nan 4.120 nan 0.000 0.281 27 V C -1.570 174.501 176.094 -0.038 0.000 1.041 27 V CA -1.814 60.469 62.300 -0.029 0.000 1.016 27 V CB -0.154 31.654 31.823 -0.024 0.000 0.984 27 V HN -0.257 7.890 8.190 -0.010 0.037 0.478 28 P HA 0.107 nan 4.420 nan 0.000 0.269 28 P C -1.126 176.124 177.300 -0.083 0.000 1.215 28 P CA -0.382 62.651 63.100 -0.110 0.000 0.780 28 P CB 0.813 32.341 31.700 -0.287 0.000 0.898 29 D N -1.760 118.663 120.400 0.038 0.000 2.319 29 D HA -0.059 nan 4.640 nan 0.000 0.230 29 D C -0.587 175.792 176.300 0.132 0.000 1.094 29 D CA 0.452 54.498 54.000 0.078 0.000 0.856 29 D CB -0.704 40.150 40.800 0.091 0.000 0.915 29 D HN 0.507 8.950 8.370 0.123 0.000 0.517 30 H N -3.479 115.591 119.070 -0.000 0.000 2.980 30 H HA 0.096 nan 4.556 nan 0.000 0.367 30 H C -2.010 173.318 175.328 -0.001 0.000 1.206 30 H CA -1.589 54.458 56.048 -0.001 0.000 1.126 30 H CB 1.684 31.444 29.762 -0.003 0.000 1.838 30 H HN -0.528 7.466 8.280 -0.327 0.090 0.552 31 A N 0.435 123.253 122.820 -0.003 0.000 2.388 31 A HA 0.178 nan 4.320 nan 0.000 0.257 31 A C 0.082 177.654 177.584 -0.019 0.000 1.095 31 A CA -0.362 51.650 52.037 -0.042 0.000 0.791 31 A CB 0.605 19.607 19.000 0.003 0.000 1.029 31 A HN 0.536 8.737 8.150 0.084 0.000 0.489 32 L N 0.320 121.509 121.223 -0.057 0.000 2.599 32 L HA 0.055 nan 4.340 nan 0.000 0.230 32 L C 0.067 176.943 176.870 0.009 0.000 1.141 32 L CA 0.628 55.461 54.840 -0.013 0.000 0.877 32 L CB 0.325 42.361 42.059 -0.038 0.000 1.009 32 L HN 0.262 8.447 8.230 -0.074 0.000 0.447 33 D N -3.198 117.202 120.400 0.000 0.000 2.648 33 D HA 0.008 nan 4.640 nan 0.000 0.244 33 D C -0.877 175.413 176.300 -0.016 0.000 1.244 33 D CA -0.014 53.978 54.000 -0.013 0.000 0.772 33 D CB 2.355 43.138 40.800 -0.028 0.000 1.379 33 D HN -0.407 7.907 8.370 -0.004 0.053 0.428 34 T N -2.030 112.505 114.554 -0.032 0.000 3.023 34 T HA 0.069 nan 4.350 nan 0.000 0.253 34 T C -0.283 174.388 174.700 -0.048 0.000 1.038 34 T CA 0.078 62.161 62.100 -0.029 0.000 0.962 34 T CB 0.420 69.273 68.868 -0.026 0.000 1.018 34 T HN -0.105 8.108 8.240 -0.045 0.000 0.521 35 Q N 2.774 122.520 119.800 -0.089 0.000 2.402 35 Q HA 0.017 nan 4.340 nan 0.000 0.238 35 Q C 0.349 176.324 176.000 -0.042 0.000 1.126 35 Q CA -0.206 55.517 55.803 -0.134 0.000 0.904 35 Q CB -0.560 27.974 28.738 -0.341 0.000 1.357 35 Q HN -0.477 7.905 8.270 -0.096 -0.169 0.491 36 R N 4.631 125.133 120.500 0.004 0.000 2.362 36 R HA 0.075 nan 4.340 nan 0.000 0.227 36 R C 0.039 176.396 176.300 0.096 0.000 0.905 36 R CA -0.424 55.705 56.100 0.048 0.000 1.067 36 R CB 0.548 30.869 30.300 0.034 0.000 1.078 36 R HN 0.024 8.290 8.270 -0.007 0.000 0.516 37 K N 2.381 122.850 120.400 0.114 0.000 2.310 37 K HA -0.080 nan 4.320 nan 0.000 0.290 37 K C -1.167 175.570 176.600 0.228 0.000 1.077 37 K CA -0.620 55.762 56.287 0.158 0.000 0.922 37 K CB 0.537 33.124 32.500 0.146 0.000 1.057 37 K HN -0.661 7.837 8.250 0.079 -0.200 0.479 38 Y N 7.090 127.427 120.300 0.062 0.000 2.729 38 Y HA -0.308 nan 4.550 nan 0.000 0.331 38 Y C -0.470 175.429 175.900 -0.002 0.000 1.208 38 Y CA 1.642 59.770 58.100 0.046 0.000 1.521 38 Y CB 0.227 38.719 38.460 0.054 0.000 1.233 38 Y HN 0.147 8.597 8.280 0.283 0.000 0.539 39 H N 3.429 122.148 119.070 -0.586 0.000 2.677 39 H HA -0.303 nan 4.556 nan 0.000 0.321 39 H C 0.792 175.624 175.328 -0.827 0.000 1.171 39 H CA 1.401 56.903 56.048 -0.911 0.000 1.139 39 H CB -2.619 26.529 29.762 -1.024 0.000 1.515 39 H HN 0.526 8.345 8.280 -0.769 0.000 0.423 40 Y N -2.570 117.560 120.300 -0.284 0.000 2.365 40 Y HA -0.376 nan 4.550 nan 0.000 0.287 40 Y C -0.264 175.565 175.900 -0.118 0.000 1.162 40 Y CA 2.410 60.432 58.100 -0.131 0.000 1.260 40 Y CB -1.209 37.235 38.460 -0.028 0.000 0.976 40 Y HN -0.446 7.630 8.280 -0.340 0.000 0.548 41 F N -5.837 113.823 119.950 -0.484 0.000 2.780 41 F HA 0.096 nan 4.527 nan 0.000 0.299 41 F C 0.090 175.836 175.800 -0.089 0.000 1.146 41 F CA -1.733 56.137 58.000 -0.216 0.000 1.428 41 F CB -0.359 38.435 39.000 -0.344 0.000 1.115 41 F HN -0.613 6.777 8.300 -1.421 0.057 0.583 42 I N 1.459 121.717 120.570 -0.521 0.000 2.683 42 I HA -0.258 nan 4.170 nan 0.000 0.286 42 I C 0.269 176.354 176.117 -0.055 0.000 1.175 42 I CA 0.842 62.025 61.300 -0.195 0.000 1.429 42 I CB 0.332 38.174 38.000 -0.263 0.000 1.371 42 I HN -0.510 7.172 8.210 -0.798 0.049 0.569 43 Q N 8.447 128.256 119.800 0.015 0.000 2.262 43 Q HA 0.161 nan 4.340 nan 0.000 0.272 43 Q C -1.802 174.169 176.000 -0.048 0.000 1.076 43 Q CA -2.323 53.484 55.803 0.006 0.000 0.905 43 Q CB -0.249 28.505 28.738 0.027 0.000 1.182 43 Q HN 0.224 8.537 8.270 0.072 0.000 0.390 44 P HA 0.167 nan 4.420 nan 0.000 0.279 44 P C -1.570 175.629 177.300 -0.168 0.000 1.239 44 P CA -0.343 62.716 63.100 -0.068 0.000 0.789 44 P CB 1.067 32.776 31.700 0.015 0.000 0.933 45 R N 4.502 124.762 120.500 -0.399 0.000 2.075 45 R HA -0.093 nan 4.340 nan 0.000 0.226 45 R C 0.120 176.039 176.300 -0.636 0.000 1.114 45 R CA 1.475 57.156 56.100 -0.700 0.000 0.972 45 R CB 0.413 29.875 30.300 -1.397 0.000 0.869 45 R HN 0.274 8.622 8.270 -0.407 -0.322 0.437 46 W N -1.772 119.535 121.300 0.013 0.000 2.090 46 W HA 0.219 nan 4.660 nan 0.000 0.609 46 W C 0.407 176.940 176.519 0.023 0.000 1.671 46 W CA -1.004 56.349 57.345 0.014 0.000 1.756 46 W CB -0.316 29.151 29.460 0.012 0.000 2.998 46 W HN -0.590 7.400 8.180 -0.317 0.000 0.761 47 K N -0.749 119.821 120.400 0.283 0.000 1.967 47 K HA -0.099 nan 4.320 nan 0.000 0.212 47 K C -1.303 175.379 176.600 0.136 0.000 1.044 47 K CA 1.936 58.318 56.287 0.158 0.000 0.942 47 K CB -1.336 31.239 32.500 0.125 0.000 0.726 47 K HN -0.010 8.452 8.250 0.353 0.000 0.440 48 P HA 0.139 nan 4.420 nan 0.000 0.292 48 P C -1.571 175.824 177.300 0.159 0.000 1.313 48 P CA -1.017 62.158 63.100 0.123 0.000 0.965 48 P CB 1.253 33.014 31.700 0.101 0.000 1.303 49 L N -0.055 121.240 121.223 0.120 0.000 2.525 49 L HA -0.092 nan 4.340 nan 0.000 0.278 49 L C 0.099 177.065 176.870 0.159 0.000 1.218 49 L CA 0.306 55.219 54.840 0.121 0.000 0.878 49 L CB 0.604 42.701 42.059 0.065 0.000 1.127 49 L HN 0.138 8.425 8.230 0.095 0.000 0.492 50 S N 2.621 118.457 115.700 0.227 0.000 2.687 50 S HA 0.291 nan 4.470 nan 0.000 0.283 50 S C 0.427 175.121 174.600 0.157 0.000 1.170 50 S CA -1.248 57.087 58.200 0.225 0.000 1.008 50 S CB 2.955 66.360 63.200 0.342 0.000 1.026 50 S HN 0.329 9.121 8.310 0.271 -0.320 0.541 51 E N 3.945 124.222 120.200 0.128 0.000 2.110 51 E HA -0.379 nan 4.350 nan 0.000 0.193 51 E C 1.671 178.235 176.600 -0.060 0.000 0.988 51 E CA 3.235 59.646 56.400 0.019 0.000 0.804 51 E CB -0.188 29.540 29.700 0.045 0.000 0.745 51 E HN 0.724 9.170 8.360 0.144 0.000 0.458 52 Y N -1.361 118.951 120.300 0.019 0.000 2.128 52 Y HA -0.433 nan 4.550 nan 0.000 0.284 52 Y C 1.666 177.585 175.900 0.030 0.000 1.154 52 Y CA 2.862 61.013 58.100 0.084 0.000 1.149 52 Y CB -0.282 38.340 38.460 0.270 0.000 0.976 52 Y HN -0.131 8.346 8.280 0.349 0.013 0.505 53 E N -1.768 118.356 120.200 -0.126 0.000 2.072 53 E HA -0.450 nan 4.350 nan 0.000 0.191 53 E C 2.517 178.968 176.600 -0.248 0.000 0.985 53 E CA 3.068 59.294 56.400 -0.290 0.000 0.801 53 E CB -0.315 29.344 29.700 -0.068 0.000 0.750 53 E HN -0.599 7.806 8.360 0.208 0.080 0.452 54 Q N -0.422 119.305 119.800 -0.122 0.000 2.061 54 Q HA -0.300 nan 4.340 nan 0.000 0.204 54 Q C 2.537 178.526 176.000 -0.019 0.000 0.984 54 Q CA 3.111 58.895 55.803 -0.032 0.000 0.846 54 Q CB 0.022 28.824 28.738 0.107 0.000 0.902 54 Q HN -0.310 7.925 8.270 -0.060 0.000 0.421 55 L N -2.650 118.474 121.223 -0.164 0.000 2.240 55 L HA -0.190 nan 4.340 nan 0.000 0.211 55 L C 1.620 178.383 176.870 -0.178 0.000 1.106 55 L CA 2.204 56.922 54.840 -0.203 0.000 0.793 55 L CB 0.294 42.046 42.059 -0.511 0.000 0.927 55 L HN 0.051 8.131 8.230 -0.250 0.000 0.446 56 S N -1.146 114.399 115.700 -0.259 0.000 2.460 56 S HA 0.002 nan 4.470 nan 0.000 0.226 56 S C 0.185 174.633 174.600 -0.254 0.000 1.057 56 S CA 1.944 59.997 58.200 -0.245 0.000 0.948 56 S CB 1.382 64.354 63.200 -0.380 0.000 0.822 56 S HN -0.577 7.413 8.310 -0.330 0.121 0.512 57 C N 2.588 121.685 119.300 -0.338 0.000 2.648 57 C HA -0.180 nan 4.460 nan 0.000 0.419 57 C C -0.286 174.482 174.990 -0.370 0.000 1.352 57 C CA 2.516 61.284 59.018 -0.417 0.000 1.816 57 C CB -1.699 25.723 27.740 -0.530 0.000 2.598 57 C HN -0.074 7.937 8.230 -0.364 0.000 0.598 58 Y N -0.002 120.183 120.300 -0.191 0.000 4.841 58 Y HA -0.480 nan 4.550 nan 0.000 0.242 58 Y C -0.073 175.755 175.900 -0.121 0.000 1.002 58 Y CA 0.415 58.368 58.100 -0.245 0.000 2.011 58 Y CB -2.867 35.413 38.460 -0.300 0.000 1.554 58 Y HN 0.113 8.413 8.280 -0.408 -0.265 0.618 59 A N -1.041 121.773 122.820 -0.010 0.000 1.969 59 A HA -0.197 nan 4.320 nan 0.000 0.218 59 A C -0.005 177.607 177.584 0.046 0.000 1.169 59 A CA 1.354 53.386 52.037 -0.009 0.000 0.635 59 A CB 0.141 19.117 19.000 -0.040 0.000 0.810 59 A HN -0.227 7.900 8.150 -0.067 -0.017 0.445 60 Q N 0.197 120.035 119.800 0.064 0.000 2.286 60 Q HA 0.092 nan 4.340 nan 0.000 0.267 60 Q C -1.457 174.637 176.000 0.156 0.000 1.028 60 Q CA -2.775 53.029 55.803 0.003 0.000 0.901 60 Q CB 0.548 29.148 28.738 -0.231 0.000 1.183 60 Q HN -0.416 8.216 8.270 0.098 -0.304 0.392 61 P HA 0.107 nan 4.420 nan 0.000 0.220 61 P C -1.623 175.825 177.300 0.247 0.000 1.806 61 P CA -0.782 62.454 63.100 0.227 0.000 0.976 61 P CB -1.015 30.835 31.700 0.250 0.000 1.952 62 N N 2.889 121.719 118.700 0.217 0.000 2.530 62 N HA 0.335 nan 4.740 nan 0.000 0.273 62 N C -1.849 173.578 175.510 -0.139 0.000 1.173 62 N CA -2.169 50.931 53.050 0.085 0.000 0.967 62 N CB -0.014 38.554 38.487 0.136 0.000 1.109 62 N HN -0.146 8.357 8.380 0.300 0.057 0.453 63 P HA 0.273 nan 4.420 nan 0.000 0.281 63 P C 0.222 177.339 177.300 -0.305 0.000 1.281 63 P CA -0.817 61.996 63.100 -0.478 0.000 0.811 63 P CB 1.434 32.598 31.700 -0.893 0.000 1.154 64 D N -0.188 120.164 120.400 -0.081 0.000 2.263 64 D HA -0.262 nan 4.640 nan 0.000 0.208 64 D C 0.499 176.877 176.300 0.130 0.000 0.971 64 D CA 2.428 56.462 54.000 0.058 0.000 0.867 64 D CB -0.698 40.178 40.800 0.126 0.000 0.929 64 D HN 0.147 8.516 8.370 -0.001 0.000 0.492 65 W N -3.903 117.444 121.300 0.079 0.000 3.180 65 W HA 0.083 nan 4.660 nan 0.000 0.254 65 W C -0.979 175.625 176.519 0.141 0.000 1.318 65 W CA -1.859 55.541 57.345 0.092 0.000 1.608 65 W CB -0.574 28.926 29.460 0.066 0.000 1.124 65 W HN -0.532 7.524 8.180 -0.136 0.042 0.694 66 I N 2.361 122.929 120.570 -0.005 0.000 2.411 66 I HA 0.097 nan 4.170 nan 0.000 0.284 66 I C -1.066 175.176 176.117 0.208 0.000 1.012 66 I CA -1.181 60.185 61.300 0.109 0.000 1.119 66 I CB 1.497 39.469 38.000 -0.046 0.000 1.261 66 I HN -0.569 7.480 8.210 -0.160 0.065 0.448 67 A N 8.044 131.028 122.820 0.272 0.000 2.592 67 A HA -0.274 nan 4.320 nan 0.000 0.250 67 A C 1.051 178.784 177.584 0.248 0.000 1.017 67 A CA 2.109 54.257 52.037 0.186 0.000 0.794 67 A CB -0.308 18.691 19.000 -0.001 0.000 0.917 67 A HN 0.854 9.187 8.150 0.306 0.000 0.515 68 G N 2.193 111.139 108.800 0.244 0.000 2.217 68 G HA2 -0.402 nan 3.960 nan 0.000 0.246 68 G HA3 -0.402 nan 3.960 nan 0.000 0.246 68 G C 0.241 175.392 174.900 0.418 0.000 0.990 68 G CA -0.417 44.902 45.100 0.365 0.000 0.627 68 G HN 0.390 8.789 8.290 0.182 0.000 0.522 69 G N -0.068 108.941 108.800 0.348 0.000 2.491 69 G HA2 -0.051 nan 3.960 nan 0.000 0.242 69 G HA3 -0.051 nan 3.960 nan 0.000 0.242 69 G C -0.874 174.059 174.900 0.055 0.000 1.266 69 G CA -0.246 45.009 45.100 0.257 0.000 0.844 69 G HN -0.313 8.078 8.290 0.273 0.063 0.571 70 L N 1.325 122.520 121.223 -0.046 0.000 2.616 70 L HA 0.251 nan 4.340 nan 0.000 0.229 70 L C 0.590 177.427 176.870 -0.056 0.000 1.110 70 L CA 0.183 54.945 54.840 -0.129 0.000 0.884 70 L CB 0.591 42.456 42.059 -0.323 0.000 1.115 70 L HN 0.056 8.273 8.230 -0.021 0.000 0.481 71 D N -0.313 120.055 120.400 -0.055 0.000 2.478 71 D HA 0.106 nan 4.640 nan 0.000 0.274 71 D C -1.702 174.613 176.300 0.025 0.000 1.234 71 D CA -0.635 53.318 54.000 -0.079 0.000 1.069 71 D CB 2.187 42.867 40.800 -0.201 0.000 1.113 71 D HN -0.197 8.136 8.370 -0.062 0.000 0.571 72 W N -4.690 116.551 121.300 -0.098 0.000 3.074 72 W HA 0.192 nan 4.660 nan 0.000 0.332 72 W C -1.321 175.191 176.519 -0.013 0.000 1.253 72 W CA -0.970 56.355 57.345 -0.035 0.000 1.180 72 W CB 2.562 32.017 29.460 -0.008 0.000 1.445 72 W HN -0.034 7.798 8.180 -0.579 0.000 0.573 73 G N 0.183 109.228 108.800 0.408 0.000 2.756 73 G HA2 -0.441 nan 3.960 nan 0.000 0.678 73 G HA3 -0.441 nan 3.960 nan 0.000 0.678 73 G C -1.882 173.121 174.900 0.172 0.000 1.349 73 G CA -0.475 44.784 45.100 0.266 0.000 0.847 73 G HN 0.178 8.792 8.290 0.540 0.000 0.548 74 D N -0.713 119.746 120.400 0.098 0.000 2.383 74 D HA 0.056 nan 4.640 nan 0.000 0.248 74 D C 0.202 176.499 176.300 -0.005 0.000 1.170 74 D CA -1.423 52.632 54.000 0.091 0.000 0.977 74 D CB 1.041 41.882 40.800 0.068 0.000 1.120 74 D HN 0.056 8.478 8.370 0.087 0.000 0.481 75 W N -0.232 121.207 121.300 0.230 0.000 2.093 75 W HA 0.007 nan 4.660 nan 0.000 0.352 75 W C 0.550 177.092 176.519 0.038 0.000 1.294 75 W CA -0.466 56.944 57.345 0.108 0.000 1.290 75 W CB 0.423 29.951 29.460 0.113 0.000 1.149 75 W HN -0.090 8.276 8.180 0.310 0.000 0.606 76 T N -3.520 111.195 114.554 0.269 0.000 3.014 76 T HA -0.146 nan 4.350 nan 0.000 0.263 76 T C -0.163 174.587 174.700 0.083 0.000 1.078 76 T CA 0.281 62.453 62.100 0.119 0.000 1.135 76 T CB -0.042 68.868 68.868 0.069 0.000 0.895 76 T HN -0.286 8.160 8.240 0.343 0.000 0.480 77 Q N 0.858 120.707 119.800 0.081 0.000 2.268 77 Q HA 0.135 nan 4.340 nan 0.000 0.266 77 Q C -2.095 173.889 176.000 -0.027 0.000 1.006 77 Q CA 0.082 55.882 55.803 -0.005 0.000 0.824 77 Q CB 2.155 30.849 28.738 -0.072 0.000 1.306 77 Q HN -0.040 8.307 8.270 0.129 0.000 0.424 78 K N 0.704 121.098 120.400 -0.009 0.000 2.316 78 K HA 0.521 nan 4.320 nan 0.000 0.234 78 K C -0.545 176.055 176.600 0.000 0.000 1.054 78 K CA -1.671 54.637 56.287 0.036 0.000 0.879 78 K CB 2.000 34.591 32.500 0.152 0.000 1.252 78 K HN -0.044 8.199 8.250 -0.012 0.000 0.471 79 F N -0.009 119.906 119.950 -0.058 0.000 2.440 79 F HA 0.016 nan 4.527 nan 0.000 0.323 79 F C 0.703 176.502 175.800 -0.001 0.000 1.192 79 F CA 0.793 58.781 58.000 -0.021 0.000 1.252 79 F CB 0.572 39.569 39.000 -0.004 0.000 1.214 79 F HN 0.171 8.782 8.300 0.519 0.000 0.578 80 H N 0.837 120.016 119.070 0.183 0.000 3.004 80 H HA -0.152 nan 4.556 nan 0.000 0.316 80 H C 1.502 176.890 175.328 0.100 0.000 1.014 80 H CA 2.164 58.273 56.048 0.101 0.000 1.454 80 H CB 0.001 29.807 29.762 0.072 0.000 1.472 80 H HN 0.327 8.896 8.280 0.482 0.000 0.571 81 G N 4.221 113.115 108.800 0.156 0.000 2.313 81 G HA2 -0.293 nan 3.960 nan 0.000 0.215 81 G HA3 -0.293 nan 3.960 nan 0.000 0.215 81 G C -0.265 174.680 174.900 0.076 0.000 1.023 81 G CA -0.282 44.878 45.100 0.100 0.000 0.626 81 G HN 0.543 8.900 8.290 0.112 0.000 0.503 82 G N -0.534 108.326 108.800 0.100 0.000 2.205 82 G HA2 -0.329 nan 3.960 nan 0.000 0.180 82 G HA3 -0.329 nan 3.960 nan 0.000 0.180 82 G C -1.224 173.745 174.900 0.115 0.000 1.004 82 G CA -0.412 44.744 45.100 0.094 0.000 0.670 82 G HN 0.128 8.309 8.290 0.138 0.192 0.496 83 R N 2.099 122.656 120.500 0.094 0.000 2.502 83 R HA 0.089 nan 4.340 nan 0.000 0.292 83 R C -1.867 174.545 176.300 0.186 0.000 0.998 83 R CA -1.365 54.748 56.100 0.023 0.000 1.056 83 R CB 0.267 30.365 30.300 -0.337 0.000 0.939 83 R HN -0.123 8.205 8.270 0.097 0.000 0.411 84 P HA 0.080 nan 4.420 nan 0.000 0.272 84 P C 0.393 177.684 177.300 -0.016 0.000 1.230 84 P CA -0.676 62.597 63.100 0.289 0.000 0.788 84 P CB 0.547 32.626 31.700 0.631 0.000 0.949 85 S N 1.174 116.523 115.700 -0.584 0.000 2.365 85 S HA -0.203 nan 4.470 nan 0.000 0.225 85 S C -0.560 173.467 174.600 -0.955 0.000 1.039 85 S CA 3.400 61.006 58.200 -0.990 0.000 1.033 85 S CB 0.321 62.470 63.200 -1.752 0.000 0.887 85 S HN 0.520 8.336 8.310 -0.824 0.000 0.447 86 W N -3.116 117.856 121.300 -0.546 0.000 3.022 86 W HA 0.183 nan 4.660 nan 0.000 0.335 86 W C -1.637 174.978 176.519 0.160 0.000 1.133 86 W CA 0.103 57.348 57.345 -0.167 0.000 1.219 86 W CB 4.267 33.617 29.460 -0.184 0.000 1.409 86 W HN -0.725 6.987 8.180 -0.780 0.000 0.507 87 G N -0.392 108.634 108.800 0.378 0.000 2.660 87 G HA2 0.274 nan 3.960 nan 0.000 0.290 87 G HA3 0.274 nan 3.960 nan 0.000 0.290 87 G C -0.599 174.487 174.900 0.311 0.000 1.432 87 G CA -0.815 44.544 45.100 0.431 0.000 0.807 87 G HN 0.211 8.685 8.290 0.308 0.000 0.485 88 N N -0.216 118.690 118.700 0.343 0.000 2.381 88 N HA -0.327 nan 4.740 nan 0.000 0.182 88 N C 1.269 176.892 175.510 0.189 0.000 1.025 88 N CA 2.591 55.802 53.050 0.269 0.000 0.888 88 N CB 0.159 38.815 38.487 0.283 0.000 0.965 88 N HN 0.521 9.175 8.380 0.456 0.000 0.438 89 E N -0.756 119.549 120.200 0.175 0.000 2.516 89 E HA -0.092 nan 4.350 nan 0.000 0.199 89 E C 0.373 177.026 176.600 0.089 0.000 1.069 89 E CA 1.802 58.268 56.400 0.110 0.000 0.876 89 E CB -0.854 28.901 29.700 0.092 0.000 0.843 89 E HN 0.385 8.829 8.360 0.214 0.045 0.530 90 S N -2.246 113.537 115.700 0.137 0.000 2.522 90 S HA -0.119 nan 4.470 nan 0.000 0.227 90 S C -0.807 173.830 174.600 0.062 0.000 0.986 90 S CA 1.174 59.478 58.200 0.173 0.000 0.929 90 S CB 1.075 64.479 63.200 0.340 0.000 0.769 90 S HN -0.468 7.872 8.310 0.176 0.076 0.529 91 T N -1.113 113.416 114.554 -0.042 0.000 2.840 91 T HA 0.169 nan 4.350 nan 0.000 0.317 91 T C -1.641 172.984 174.700 -0.125 0.000 1.401 91 T CA -0.421 61.542 62.100 -0.229 0.000 1.028 91 T CB 2.264 70.746 68.868 -0.642 0.000 1.317 91 T HN -0.810 7.409 8.240 0.029 0.039 0.495 92 E N 0.883 120.975 120.200 -0.180 0.000 2.216 92 E HA 0.037 nan 4.350 nan 0.000 0.192 92 E C 0.425 176.883 176.600 -0.236 0.000 0.988 92 E CA 1.295 57.483 56.400 -0.354 0.000 0.834 92 E CB 0.810 29.901 29.700 -1.015 0.000 0.772 92 E HN 0.116 8.736 8.360 -0.150 -0.350 0.479 93 L N -0.753 120.416 121.223 -0.091 0.000 2.467 93 L HA -0.152 nan 4.340 nan 0.000 0.270 93 L C -0.209 176.711 176.870 0.082 0.000 1.205 93 L CA 0.601 55.488 54.840 0.079 0.000 0.828 93 L CB 0.362 42.500 42.059 0.133 0.000 1.101 93 L HN -0.924 7.230 8.230 -0.079 0.028 0.479 94 R N -0.625 119.787 120.500 -0.147 0.000 2.795 94 R HA 0.311 nan 4.340 nan 0.000 0.275 94 R C -1.536 174.340 176.300 -0.707 0.000 0.981 94 R CA -1.859 53.882 56.100 -0.597 0.000 0.917 94 R CB 3.592 33.083 30.300 -1.347 0.000 1.202 94 R HN 0.005 8.561 8.270 -0.033 -0.306 0.469 95 T N -1.126 112.922 114.554 -0.842 0.000 2.802 95 T HA 0.288 nan 4.350 nan 0.000 0.311 95 T C -0.461 174.061 174.700 -0.296 0.000 1.405 95 T CA -0.929 60.862 62.100 -0.516 0.000 1.016 95 T CB 2.475 70.830 68.868 -0.855 0.000 1.352 95 T HN -0.321 7.402 8.240 -0.861 0.000 0.498 96 T N -1.098 113.438 114.554 -0.030 0.000 3.085 96 T HA 0.095 nan 4.350 nan 0.000 0.263 96 T C -0.407 174.269 174.700 -0.041 0.000 1.127 96 T CA 0.643 62.764 62.100 0.036 0.000 1.103 96 T CB 0.568 69.473 68.868 0.062 0.000 0.921 96 T HN 0.189 8.736 8.240 0.006 -0.303 0.510 97 D N -0.216 120.096 120.400 -0.145 0.000 2.452 97 D HA 0.200 nan 4.640 nan 0.000 0.226 97 D C -0.479 175.769 176.300 -0.087 0.000 1.366 97 D CA -0.750 53.233 54.000 -0.027 0.000 0.986 97 D CB 1.591 42.444 40.800 0.088 0.000 1.420 97 D HN -0.790 7.396 8.370 -0.247 0.036 0.583 98 W N 4.394 125.712 121.300 0.030 0.000 2.611 98 W HA -0.190 nan 4.660 nan 0.000 0.251 98 W C 0.918 177.303 176.519 -0.223 0.000 1.265 98 W CA 1.195 58.471 57.345 -0.115 0.000 1.295 98 W CB 0.459 29.778 29.460 -0.236 0.000 1.129 98 W HN 0.602 8.741 8.180 0.113 0.109 0.630 99 Y N -2.592 117.791 120.300 0.139 0.000 2.511 99 Y HA -0.173 nan 4.550 nan 0.000 0.279 99 Y C 0.958 176.839 175.900 -0.032 0.000 1.157 99 Y CA 2.103 60.188 58.100 -0.026 0.000 1.300 99 Y CB -0.693 37.642 38.460 -0.210 0.000 1.052 99 Y HN 0.053 8.814 8.280 0.339 -0.278 0.529 100 R N 0.401 120.998 120.500 0.161 0.000 2.127 100 R HA -0.385 nan 4.340 nan 0.000 0.238 100 R C -0.041 176.332 176.300 0.123 0.000 1.134 100 R CA 2.253 58.427 56.100 0.123 0.000 0.975 100 R CB -0.012 30.366 30.300 0.130 0.000 0.865 100 R HN -0.687 7.614 8.270 0.159 0.064 0.447 101 H N -0.727 118.388 119.070 0.074 0.000 2.972 101 H HA -0.104 nan 4.556 nan 0.000 0.343 101 H C -0.834 174.535 175.328 0.068 0.000 1.054 101 H CA 0.777 56.869 56.048 0.074 0.000 1.412 101 H CB 0.367 30.181 29.762 0.088 0.000 1.385 101 H HN -0.199 8.203 8.280 0.261 0.035 0.600 102 R N 5.645 125.831 120.500 -0.522 0.000 2.538 102 R HA 0.111 nan 4.340 nan 0.000 0.292 102 R C -1.589 174.503 176.300 -0.348 0.000 1.008 102 R CA -2.185 53.741 56.100 -0.291 0.000 0.896 102 R CB 2.715 32.923 30.300 -0.152 0.000 1.187 102 R HN 0.032 8.416 8.270 -0.342 -0.320 0.440 103 D N 4.886 125.169 120.400 -0.194 0.000 2.371 103 D HA 0.149 nan 4.640 nan 0.000 0.256 103 D C 0.639 176.905 176.300 -0.057 0.000 1.193 103 D CA -2.651 51.295 54.000 -0.090 0.000 0.881 103 D CB 1.849 42.620 40.800 -0.048 0.000 1.143 103 D HN 0.084 8.501 8.370 0.078 0.000 0.473 104 P HA -0.145 nan 4.420 nan 0.000 0.220 104 P C -0.109 177.095 177.300 -0.160 0.000 1.148 104 P CA 1.552 64.668 63.100 0.026 0.000 0.803 104 P CB 0.202 31.932 31.700 0.050 0.000 0.782 105 A N -3.690 119.035 122.820 -0.159 0.000 2.238 105 A HA -0.040 nan 4.320 nan 0.000 0.208 105 A C -0.358 177.041 177.584 -0.309 0.000 1.177 105 A CA -0.585 51.334 52.037 -0.197 0.000 0.804 105 A CB -0.331 18.598 19.000 -0.118 0.000 0.823 105 A HN -0.541 7.789 8.150 -0.096 -0.237 0.482 106 R N -4.226 115.951 120.500 -0.538 0.000 3.336 106 R HA -0.454 nan 4.340 nan 0.000 0.260 106 R C -0.779 175.262 176.300 -0.431 0.000 1.032 106 R CA 0.695 56.235 56.100 -0.932 0.000 0.693 106 R CB -3.032 26.989 30.300 -0.466 0.000 1.134 106 R HN -0.192 7.582 8.270 -0.496 0.199 0.433 107 R N -0.273 120.086 120.500 -0.235 0.000 2.210 107 R HA 0.063 nan 4.340 nan 0.000 0.338 107 R C -0.316 176.331 176.300 0.579 0.000 1.062 107 R CA -0.235 55.934 56.100 0.114 0.000 0.902 107 R CB 0.351 30.670 30.300 0.032 0.000 1.050 107 R HN -0.529 7.809 8.270 -0.318 -0.259 0.461 108 W N 2.230 123.771 121.300 0.402 0.000 2.568 108 W HA 0.253 nan 4.660 nan 0.000 0.396 108 W C -0.357 176.418 176.519 0.427 0.000 1.554 108 W CA -2.531 55.091 57.345 0.463 0.000 1.605 108 W CB 0.316 29.989 29.460 0.355 0.000 1.543 108 W HN -0.206 8.147 8.180 0.288 0.000 0.692 109 H N 2.264 121.657 119.070 0.539 0.000 2.352 109 H HA -0.493 nan 4.556 nan 0.000 0.299 109 H C 1.630 176.881 175.328 -0.127 0.000 1.097 109 H CA 5.217 61.431 56.048 0.277 0.000 1.311 109 H CB 0.173 30.144 29.762 0.347 0.000 1.377 109 H HN 0.326 9.178 8.280 0.952 0.000 0.504 110 H N 0.059 118.855 119.070 -0.457 0.000 2.267 110 H HA -0.096 nan 4.556 nan 0.000 0.297 110 H C -0.321 174.648 175.328 -0.599 0.000 1.080 110 H CA 5.603 61.272 56.048 -0.632 0.000 1.278 110 H CB -1.835 27.300 29.762 -1.046 0.000 1.365 110 H HN 0.509 8.493 8.280 -0.493 0.000 0.489 111 P HA -0.296 nan 4.420 nan 0.000 0.218 111 P C 1.248 178.204 177.300 -0.574 0.000 1.149 111 P CA 2.661 65.315 63.100 -0.744 0.000 0.817 111 P CB -0.552 30.834 31.700 -0.523 0.000 0.785 112 Y N 0.251 120.139 120.300 -0.687 0.000 2.070 112 Y HA -0.460 nan 4.550 nan 0.000 0.280 112 Y C 1.721 177.237 175.900 -0.639 0.000 1.148 112 Y CA 4.324 61.968 58.100 -0.760 0.000 1.125 112 Y CB 0.116 37.817 38.460 -1.265 0.000 0.975 112 Y HN -0.652 7.338 8.280 -0.468 0.009 0.492 113 V N -5.033 114.504 119.914 -0.629 0.000 2.515 113 V HA -0.412 nan 4.120 nan 0.000 0.250 113 V C 1.735 177.558 176.094 -0.451 0.000 1.058 113 V CA 3.202 65.178 62.300 -0.540 0.000 1.064 113 V CB -1.241 30.392 31.823 -0.317 0.000 0.675 113 V HN 0.124 7.994 8.190 -0.533 0.000 0.461 114 K N 0.978 121.081 120.400 -0.496 0.000 2.009 114 K HA -0.439 nan 4.320 nan 0.000 0.210 114 K C 1.755 178.149 176.600 -0.343 0.000 1.049 114 K CA 3.961 60.002 56.287 -0.411 0.000 0.929 114 K CB -0.319 31.850 32.500 -0.551 0.000 0.714 114 K HN 0.069 7.941 8.250 -0.605 0.015 0.440 115 D N -0.908 119.254 120.400 -0.397 0.000 2.104 115 D HA -0.277 nan 4.640 nan 0.000 0.194 115 D C 2.343 178.452 176.300 -0.317 0.000 0.994 115 D CA 3.364 57.167 54.000 -0.327 0.000 0.830 115 D CB -0.444 40.150 40.800 -0.343 0.000 0.959 115 D HN -0.264 7.826 8.370 -0.466 0.000 0.452 116 K N -0.888 119.235 120.400 -0.462 0.000 2.147 116 K HA -0.299 nan 4.320 nan 0.000 0.205 116 K C 2.256 178.713 176.600 -0.238 0.000 1.049 116 K CA 2.935 58.988 56.287 -0.389 0.000 0.936 116 K CB 0.092 32.233 32.500 -0.598 0.000 0.722 116 K HN -0.485 7.388 8.250 -0.627 0.000 0.446 117 S N -0.274 115.285 115.700 -0.234 0.000 2.368 117 S HA -0.288 nan 4.470 nan 0.000 0.225 117 S C 2.101 176.646 174.600 -0.092 0.000 1.030 117 S CA 3.608 61.723 58.200 -0.141 0.000 0.999 117 S CB -0.595 62.526 63.200 -0.132 0.000 0.844 117 S HN 0.041 7.976 8.310 -0.298 0.196 0.459 118 E N 1.585 121.720 120.200 -0.107 0.000 2.058 118 E HA -0.424 nan 4.350 nan 0.000 0.194 118 E C 2.312 178.916 176.600 0.007 0.000 0.997 118 E CA 3.431 59.795 56.400 -0.059 0.000 0.801 118 E CB -0.225 29.419 29.700 -0.093 0.000 0.746 118 E HN -0.429 7.753 8.360 -0.155 0.085 0.450 119 E N -0.516 119.670 120.200 -0.022 0.000 2.077 119 E HA -0.350 nan 4.350 nan 0.000 0.193 119 E C 2.457 179.067 176.600 0.017 0.000 0.989 119 E CA 2.855 59.261 56.400 0.010 0.000 0.800 119 E CB -0.340 29.346 29.700 -0.023 0.000 0.746 119 E HN -0.521 7.793 8.360 -0.076 0.000 0.452 120 A N -0.722 122.090 122.820 -0.013 0.000 1.877 120 A HA -0.277 nan 4.320 nan 0.000 0.216 120 A C 2.286 179.880 177.584 0.018 0.000 1.186 120 A CA 3.108 55.141 52.037 -0.008 0.000 0.620 120 A CB -0.696 18.286 19.000 -0.031 0.000 0.822 120 A HN 0.283 8.322 8.150 -0.045 0.084 0.443 121 R N -2.347 118.174 120.500 0.035 0.000 2.093 121 R HA -0.242 nan 4.340 nan 0.000 0.224 121 R C 2.251 178.627 176.300 0.126 0.000 1.101 121 R CA 2.989 59.123 56.100 0.057 0.000 0.979 121 R CB 0.125 30.451 30.300 0.043 0.000 0.877 121 R HN -0.371 7.912 8.270 0.021 0.000 0.441 122 Y N 0.651 120.959 120.300 0.013 0.000 2.181 122 Y HA -0.321 nan 4.550 nan 0.000 0.288 122 Y C 1.507 177.477 175.900 0.117 0.000 1.146 122 Y CA 2.023 60.157 58.100 0.057 0.000 1.164 122 Y CB -0.361 38.128 38.460 0.048 0.000 0.982 122 Y HN 0.044 8.457 8.280 0.221 0.000 0.515 123 T N 2.170 116.704 114.554 -0.034 0.000 2.699 123 T HA -0.443 nan 4.350 nan 0.000 0.268 123 T C 2.286 176.899 174.700 -0.144 0.000 1.036 123 T CA 5.316 67.356 62.100 -0.101 0.000 1.147 123 T CB -0.719 68.133 68.868 -0.027 0.000 0.862 123 T HN 0.018 8.295 8.240 0.061 0.000 0.446 124 Q N -0.164 119.597 119.800 -0.065 0.000 2.172 124 Q HA -0.223 nan 4.340 nan 0.000 0.200 124 Q C 2.535 178.491 176.000 -0.072 0.000 0.964 124 Q CA 2.831 58.592 55.803 -0.071 0.000 0.855 124 Q CB -0.832 27.892 28.738 -0.023 0.000 0.918 124 Q HN -0.540 7.719 8.270 -0.018 0.000 0.444 125 R N -0.062 120.428 120.500 -0.016 0.000 2.075 125 R HA -0.273 nan 4.340 nan 0.000 0.232 125 R C 2.268 178.533 176.300 -0.058 0.000 1.126 125 R CA 3.294 59.403 56.100 0.015 0.000 0.963 125 R CB -0.080 30.302 30.300 0.137 0.000 0.858 125 R HN -0.541 7.660 8.270 0.024 0.084 0.435 126 F N 1.913 121.658 119.950 -0.341 0.000 2.095 126 F HA -0.349 nan 4.527 nan 0.000 0.298 126 F C 1.166 176.699 175.800 -0.444 0.000 1.104 126 F CA 3.570 61.251 58.000 -0.533 0.000 1.232 126 F CB 0.064 38.336 39.000 -1.213 0.000 0.987 126 F HN 0.294 8.518 8.300 -0.127 0.000 0.475 127 L N -2.422 118.457 121.223 -0.573 0.000 2.083 127 L HA -0.488 nan 4.340 nan 0.000 0.209 127 L C 2.065 178.773 176.870 -0.271 0.000 1.083 127 L CA 2.972 57.398 54.840 -0.689 0.000 0.752 127 L CB -0.795 40.802 42.059 -0.770 0.000 0.899 127 L HN 0.013 8.024 8.230 -0.365 0.000 0.433 128 A N -1.279 121.449 122.820 -0.153 0.000 1.930 128 A HA -0.356 nan 4.320 nan 0.000 0.217 128 A C 1.580 179.132 177.584 -0.054 0.000 1.175 128 A CA 3.069 55.085 52.037 -0.035 0.000 0.627 128 A CB -1.007 17.978 19.000 -0.025 0.000 0.815 128 A HN -0.245 7.801 8.150 -0.172 0.000 0.443 129 A N -1.419 121.324 122.820 -0.128 0.000 1.897 129 A HA -0.222 nan 4.320 nan 0.000 0.215 129 A C 1.562 179.044 177.584 -0.170 0.000 1.181 129 A CA 2.688 54.648 52.037 -0.128 0.000 0.620 129 A CB -0.681 18.245 19.000 -0.124 0.000 0.821 129 A HN -0.344 7.704 8.150 -0.169 0.000 0.443 130 Y N -0.237 119.802 120.300 -0.435 0.000 2.165 130 Y HA -0.525 nan 4.550 nan 0.000 0.286 130 Y C 1.617 177.458 175.900 -0.099 0.000 1.155 130 Y CA 3.841 61.707 58.100 -0.391 0.000 1.164 130 Y CB 0.213 38.224 38.460 -0.748 0.000 0.978 130 Y HN 0.313 8.346 8.280 -0.412 0.000 0.513 131 S N -1.284 114.531 115.700 0.192 0.000 2.383 131 S HA -0.271 nan 4.470 nan 0.000 0.227 131 S C 1.705 176.273 174.600 -0.053 0.000 1.026 131 S CA 3.030 61.288 58.200 0.096 0.000 0.981 131 S CB -0.522 62.774 63.200 0.160 0.000 0.818 131 S HN -0.038 8.427 8.310 0.259 0.000 0.472 132 S N 1.626 117.291 115.700 -0.058 0.000 2.402 132 S HA -0.180 nan 4.470 nan 0.000 0.229 132 S C 1.042 175.576 174.600 -0.111 0.000 1.021 132 S CA 3.107 61.263 58.200 -0.073 0.000 0.974 132 S CB 0.199 63.365 63.200 -0.057 0.000 0.800 132 S HN -0.566 7.629 8.310 -0.041 0.090 0.484 133 E N -1.914 118.185 120.200 -0.169 0.000 2.106 133 E HA -0.072 nan 4.350 nan 0.000 0.192 133 E C 1.258 177.728 176.600 -0.217 0.000 0.984 133 E CA 0.945 57.223 56.400 -0.203 0.000 0.806 133 E CB 0.817 30.340 29.700 -0.295 0.000 0.750 133 E HN -0.135 7.899 8.360 -0.187 0.214 0.458 134 G N -2.134 106.511 108.800 -0.258 0.000 2.143 134 G HA2 -0.362 nan 3.960 nan 0.000 0.248 134 G HA3 -0.362 nan 3.960 nan 0.000 0.248 134 G C 1.286 176.029 174.900 -0.260 0.000 0.991 134 G CA 0.593 45.566 45.100 -0.212 0.000 0.689 134 G HN -0.265 7.744 8.290 -0.279 0.113 0.522 135 S N 1.058 116.473 115.700 -0.477 0.000 2.500 135 S HA -0.276 nan 4.470 nan 0.000 0.239 135 S C 1.379 175.869 174.600 -0.184 0.000 0.989 135 S CA 3.504 61.457 58.200 -0.413 0.000 0.951 135 S CB -0.347 62.462 63.200 -0.651 0.000 0.759 135 S HN -0.554 7.321 8.310 -0.673 0.031 0.523 136 I N 2.322 122.824 120.570 -0.113 0.000 2.756 136 I HA -0.268 nan 4.170 nan 0.000 0.262 136 I C 0.479 176.622 176.117 0.043 0.000 1.225 136 I CA 0.059 61.424 61.300 0.109 0.000 1.472 136 I CB -0.251 37.806 38.000 0.095 0.000 1.094 136 I HN 0.034 8.023 8.210 -0.250 0.071 0.454 137 R N -1.781 118.709 120.500 -0.015 0.000 2.170 137 R HA -0.297 nan 4.340 nan 0.000 0.242 137 R C 0.853 177.169 176.300 0.026 0.000 1.145 137 R CA 2.746 58.843 56.100 -0.004 0.000 0.984 137 R CB -0.131 30.152 30.300 -0.028 0.000 0.869 137 R HN -0.327 7.865 8.270 -0.063 0.040 0.455 138 T N -6.446 108.131 114.554 0.039 0.000 3.145 138 T HA 0.104 nan 4.350 nan 0.000 0.255 138 T C 0.202 174.956 174.700 0.091 0.000 1.039 138 T CA -1.285 60.848 62.100 0.054 0.000 0.928 138 T CB 0.366 69.258 68.868 0.040 0.000 1.029 138 T HN -0.692 7.538 8.240 0.035 0.031 0.554 139 I N 2.500 123.143 120.570 0.122 0.000 2.575 139 I HA -0.164 nan 4.170 nan 0.000 0.285 139 I C -1.418 174.807 176.117 0.180 0.000 1.085 139 I CA 0.397 61.801 61.300 0.173 0.000 1.403 139 I CB 1.295 39.430 38.000 0.226 0.000 1.409 139 I HN -0.397 7.722 8.210 0.110 0.157 0.557 140 D N 8.959 129.485 120.400 0.210 0.000 2.434 140 D HA 0.059 nan 4.640 nan 0.000 0.252 140 D C 0.257 176.709 176.300 0.253 0.000 1.185 140 D CA -1.074 53.056 54.000 0.216 0.000 0.886 140 D CB 1.358 42.297 40.800 0.230 0.000 1.148 140 D HN -0.263 8.229 8.370 0.204 0.000 0.483 141 P HA -0.176 nan 4.420 nan 0.000 0.222 141 P C 0.922 178.350 177.300 0.213 0.000 1.147 141 P CA 1.988 65.203 63.100 0.192 0.000 0.790 141 P CB 0.058 31.848 31.700 0.150 0.000 0.780 142 Y N -0.370 120.002 120.300 0.120 0.000 2.206 142 Y HA -0.214 nan 4.550 nan 0.000 0.292 142 Y C 1.387 177.360 175.900 0.121 0.000 1.123 142 Y CA 3.013 61.169 58.100 0.093 0.000 1.142 142 Y CB 0.155 38.645 38.460 0.050 0.000 1.006 142 Y HN -0.283 8.274 8.280 0.331 -0.079 0.518 143 W N -0.392 120.883 121.300 -0.042 0.000 2.335 143 W HA -0.543 nan 4.660 nan 0.000 0.311 143 W C 1.346 177.860 176.519 -0.009 0.000 1.213 143 W CA 3.556 60.833 57.345 -0.113 0.000 1.274 143 W CB 0.264 29.665 29.460 -0.099 0.000 1.148 143 W HN 0.012 8.738 8.180 0.399 -0.306 0.498 144 R N -1.191 119.388 120.500 0.132 0.000 2.070 144 R HA -0.498 nan 4.340 nan 0.000 0.232 144 R C 1.913 178.271 176.300 0.097 0.000 1.138 144 R CA 4.063 60.219 56.100 0.094 0.000 0.936 144 R CB -0.225 30.192 30.300 0.195 0.000 0.839 144 R HN -0.150 8.306 8.270 0.308 -0.001 0.429 145 D N -2.862 117.584 120.400 0.077 0.000 2.149 145 D HA -0.155 nan 4.640 nan 0.000 0.201 145 D C 1.558 177.775 176.300 -0.138 0.000 0.972 145 D CA 2.794 56.807 54.000 0.021 0.000 0.835 145 D CB -0.101 40.724 40.800 0.041 0.000 0.966 145 D HN -0.034 8.272 8.370 0.076 0.110 0.476 146 E N -3.178 116.845 120.200 -0.294 0.000 2.206 146 E HA 0.169 nan 4.350 nan 0.000 0.195 146 E C 1.425 177.934 176.600 -0.152 0.000 0.935 146 E CA 0.906 57.124 56.400 -0.303 0.000 0.875 146 E CB 1.376 30.717 29.700 -0.597 0.000 0.841 146 E HN 0.140 8.156 8.360 -0.387 0.112 0.477 147 I N -0.412 119.988 120.570 -0.283 0.000 2.385 147 I HA -0.135 nan 4.170 nan 0.000 0.244 147 I C 2.273 178.334 176.117 -0.093 0.000 1.089 147 I CA 0.697 61.924 61.300 -0.122 0.000 1.410 147 I CB -0.289 37.524 38.000 -0.311 0.000 1.117 147 I HN -0.760 7.177 8.210 -0.454 0.000 0.429 148 L N 0.305 121.258 121.223 -0.451 0.000 1.961 148 L HA -0.442 nan 4.340 nan 0.000 0.210 148 L C 1.585 178.461 176.870 0.010 0.000 1.072 148 L CA 3.848 58.521 54.840 -0.278 0.000 0.749 148 L CB -0.196 41.640 42.059 -0.372 0.000 0.889 148 L HN 0.503 8.220 8.230 -0.679 0.106 0.432 149 N N -2.589 116.128 118.700 0.027 0.000 2.094 149 N HA -0.414 nan 4.740 nan 0.000 0.191 149 N C 2.420 177.879 175.510 -0.084 0.000 1.023 149 N CA 3.332 56.384 53.050 0.003 0.000 0.857 149 N CB 0.147 38.486 38.487 -0.247 0.000 1.013 149 N HN -0.252 8.128 8.380 0.001 0.000 0.426 150 K N -1.409 118.936 120.400 -0.092 0.000 2.078 150 K HA -0.178 nan 4.320 nan 0.000 0.203 150 K C 2.662 179.146 176.600 -0.194 0.000 1.043 150 K CA 2.960 59.131 56.287 -0.194 0.000 0.960 150 K CB 0.332 32.650 32.500 -0.303 0.000 0.761 150 K HN -0.587 7.618 8.250 -0.057 0.011 0.448 151 Y N -1.363 119.035 120.300 0.163 0.000 2.314 151 Y HA -0.248 nan 4.550 nan 0.000 0.294 151 Y C 2.334 178.425 175.900 0.318 0.000 1.119 151 Y CA 3.423 61.753 58.100 0.384 0.000 1.179 151 Y CB 0.252 38.969 38.460 0.428 0.000 1.025 151 Y HN -0.292 8.168 8.280 0.301 0.000 0.541 152 F N 1.058 120.922 119.950 -0.142 0.000 2.163 152 F HA -0.280 nan 4.527 nan 0.000 0.297 152 F C 1.831 177.445 175.800 -0.311 0.000 1.094 152 F CA 2.070 59.633 58.000 -0.729 0.000 1.290 152 F CB -0.090 38.470 39.000 -0.734 0.000 1.017 152 F HN -0.524 7.916 8.300 0.233 0.000 0.483 153 G N -2.595 106.111 108.800 -0.156 0.000 2.469 153 G HA2 -0.457 nan 3.960 nan 0.000 0.219 153 G HA3 -0.457 nan 3.960 nan 0.000 0.219 153 G C 1.202 176.001 174.900 -0.169 0.000 1.150 153 G CA 1.914 46.888 45.100 -0.210 0.000 0.763 153 G HN -0.339 7.938 8.290 -0.021 0.000 0.561 154 A N 1.438 124.223 122.820 -0.059 0.000 2.015 154 A HA -0.094 nan 4.320 nan 0.000 0.219 154 A C 1.878 179.324 177.584 -0.230 0.000 1.163 154 A CA 2.238 54.253 52.037 -0.037 0.000 0.646 154 A CB -0.606 18.389 19.000 -0.008 0.000 0.806 154 A HN -0.274 7.784 8.150 -0.010 0.086 0.448 155 L N -0.759 120.348 121.223 -0.193 0.000 2.265 155 L HA -0.202 nan 4.340 nan 0.000 0.215 155 L C 1.039 177.705 176.870 -0.341 0.000 1.117 155 L CA 2.007 56.738 54.840 -0.182 0.000 0.782 155 L CB -0.092 41.976 42.059 0.015 0.000 0.914 155 L HN -0.584 7.440 8.230 -0.109 0.140 0.441 156 L N -2.410 118.549 121.223 -0.442 0.000 2.187 156 L HA -0.319 nan 4.340 nan 0.000 0.213 156 L C 1.178 177.705 176.870 -0.572 0.000 1.100 156 L CA 3.159 57.702 54.840 -0.496 0.000 0.765 156 L CB -1.391 40.326 42.059 -0.570 0.000 0.904 156 L HN -0.596 7.236 8.230 -0.429 0.140 0.437 157 Y N -2.515 117.375 120.300 -0.683 0.000 2.314 157 Y HA -0.333 nan 4.550 nan 0.000 0.293 157 Y C 2.227 177.555 175.900 -0.953 0.000 1.129 157 Y CA 3.916 61.460 58.100 -0.926 0.000 1.201 157 Y CB -0.901 36.517 38.460 -1.735 0.000 0.999 157 Y HN -0.348 7.577 8.280 -0.549 0.026 0.541 158 S N -1.159 114.015 115.700 -0.877 0.000 2.355 158 S HA -0.298 nan 4.470 nan 0.000 0.222 158 S C 2.135 176.721 174.600 -0.023 0.000 1.031 158 S CA 3.401 61.414 58.200 -0.311 0.000 0.993 158 S CB -0.399 62.856 63.200 0.091 0.000 0.859 158 S HN -0.500 7.166 8.310 -0.876 0.118 0.453 159 E N 1.849 122.021 120.200 -0.046 0.000 2.085 159 E HA -0.369 nan 4.350 nan 0.000 0.194 159 E C 2.308 178.928 176.600 0.033 0.000 0.994 159 E CA 2.790 59.209 56.400 0.032 0.000 0.801 159 E CB -0.462 29.230 29.700 -0.012 0.000 0.743 159 E HN -0.679 7.600 8.360 -0.135 0.000 0.453 160 Y N 0.517 120.726 120.300 -0.153 0.000 2.274 160 Y HA -0.352 nan 4.550 nan 0.000 0.290 160 Y C 1.849 177.699 175.900 -0.084 0.000 1.145 160 Y CA 3.144 61.185 58.100 -0.098 0.000 1.203 160 Y CB -0.025 38.291 38.460 -0.240 0.000 0.984 160 Y HN 0.386 8.642 8.280 -0.040 0.000 0.533 161 G N -1.572 107.142 108.800 -0.143 0.000 2.403 161 G HA2 -0.326 nan 3.960 nan 0.000 0.216 161 G HA3 -0.326 nan 3.960 nan 0.000 0.216 161 G C 0.983 175.702 174.900 -0.303 0.000 1.154 161 G CA 1.779 46.752 45.100 -0.210 0.000 0.784 161 G HN -0.084 8.097 8.290 -0.025 0.095 0.538 162 L N 1.543 122.709 121.223 -0.094 0.000 2.056 162 L HA -0.354 nan 4.340 nan 0.000 0.207 162 L C 1.726 178.604 176.870 0.014 0.000 1.078 162 L CA 2.434 57.254 54.840 -0.034 0.000 0.749 162 L CB -0.162 41.961 42.059 0.106 0.000 0.901 162 L HN -0.148 8.076 8.230 -0.011 0.000 0.433 163 F N 0.161 120.000 119.950 -0.184 0.000 2.069 163 F HA -0.519 nan 4.527 nan 0.000 0.298 163 F C 1.830 177.447 175.800 -0.305 0.000 1.113 163 F CA 3.507 61.379 58.000 -0.213 0.000 1.214 163 F CB -0.389 38.404 39.000 -0.344 0.000 0.978 163 F HN 0.302 8.631 8.300 0.048 0.000 0.474 164 N N -0.183 117.737 118.700 -1.300 0.000 2.223 164 N HA -0.390 nan 4.740 nan 0.000 0.185 164 N C 2.314 177.096 175.510 -1.213 0.000 1.016 164 N CA 3.415 55.463 53.050 -1.670 0.000 0.863 164 N CB -0.202 36.884 38.487 -2.335 0.000 0.983 164 N HN -0.079 7.692 8.380 -1.015 0.000 0.429 165 A N -0.419 121.889 122.820 -0.852 0.000 2.076 165 A HA -0.235 nan 4.320 nan 0.000 0.220 165 A C 1.592 178.968 177.584 -0.348 0.000 1.160 165 A CA 2.493 54.274 52.037 -0.427 0.000 0.653 165 A CB -0.542 18.267 19.000 -0.320 0.000 0.801 165 A HN -0.254 7.320 8.150 -0.772 0.113 0.455 166 H N -3.327 115.535 119.070 -0.346 0.000 2.555 166 H HA -0.071 nan 4.556 nan 0.000 0.269 166 H C 1.880 177.084 175.328 -0.206 0.000 0.988 166 H CA 1.715 57.641 56.048 -0.202 0.000 1.178 166 H CB -0.680 28.989 29.762 -0.155 0.000 1.373 166 H HN -0.010 7.978 8.280 -0.213 0.165 0.588 167 S N 0.255 115.839 115.700 -0.193 0.000 2.353 167 S HA -0.391 nan 4.470 nan 0.000 0.222 167 S C 1.839 176.411 174.600 -0.047 0.000 1.035 167 S CA 4.229 62.349 58.200 -0.133 0.000 1.025 167 S CB -0.549 62.562 63.200 -0.148 0.000 0.902 167 S HN -0.052 7.908 8.310 -0.327 0.154 0.440 168 S N 1.052 116.742 115.700 -0.018 0.000 2.406 168 S HA -0.158 nan 4.470 nan 0.000 0.228 168 S C 1.798 176.401 174.600 0.004 0.000 1.020 168 S CA 2.434 60.638 58.200 0.007 0.000 0.965 168 S CB -0.058 63.160 63.200 0.030 0.000 0.798 168 S HN -0.208 8.092 8.310 -0.017 0.000 0.488 169 V N 2.927 122.844 119.914 0.004 0.000 2.295 169 V HA -0.384 nan 4.120 nan 0.000 0.246 169 V C 2.135 178.172 176.094 -0.095 0.000 1.049 169 V CA 3.906 66.212 62.300 0.010 0.000 1.024 169 V CB -0.953 30.899 31.823 0.049 0.000 0.648 169 V HN -0.287 7.895 8.190 -0.013 0.000 0.447 170 G N -1.580 107.188 108.800 -0.053 0.000 2.469 170 G HA2 -0.401 nan 3.960 nan 0.000 0.220 170 G HA3 -0.401 nan 3.960 nan 0.000 0.220 170 G C 0.630 175.494 174.900 -0.060 0.000 1.136 170 G CA 2.292 47.350 45.100 -0.070 0.000 0.759 170 G HN 0.307 8.585 8.290 -0.020 0.000 0.562 171 R N 0.697 121.176 120.500 -0.035 0.000 2.062 171 R HA -0.092 nan 4.340 nan 0.000 0.226 171 R C 1.745 178.073 176.300 0.046 0.000 1.125 171 R CA 2.164 58.266 56.100 0.004 0.000 0.966 171 R CB -0.141 30.154 30.300 -0.008 0.000 0.861 171 R HN -0.596 7.554 8.270 -0.035 0.100 0.433 172 D N -1.742 118.627 120.400 -0.050 0.000 2.333 172 D HA 0.097 nan 4.640 nan 0.000 0.208 172 D C 0.389 176.373 176.300 -0.527 0.000 0.984 172 D CA 1.303 55.250 54.000 -0.089 0.000 0.873 172 D CB 0.540 41.345 40.800 0.008 0.000 0.935 172 D HN 0.125 8.347 8.370 -0.069 0.106 0.521 173 C N -2.135 116.588 119.300 -0.962 0.000 2.700 173 C HA -0.063 nan 4.460 nan 0.000 0.397 173 C C 1.171 175.324 174.990 -1.396 0.000 1.301 173 C CA -0.804 57.045 59.018 -1.948 0.000 2.219 173 C CB 0.756 27.453 27.740 -1.737 0.000 2.699 173 C HN -0.136 7.725 8.230 -0.615 0.000 0.669 174 L N -0.457 119.852 121.223 -1.524 0.000 2.611 174 L HA 0.042 nan 4.340 nan 0.000 0.229 174 L C -0.649 175.662 176.870 -0.933 0.000 1.137 174 L CA 0.491 54.666 54.840 -1.109 0.000 0.901 174 L CB -0.333 41.045 42.059 -1.135 0.000 1.098 174 L HN 0.381 7.315 8.230 -2.160 0.000 0.456 175 S N -4.326 110.877 115.700 -0.828 0.000 2.615 175 S HA 0.077 nan 4.470 nan 0.000 0.269 175 S C -0.411 173.896 174.600 -0.488 0.000 1.161 175 S CA -1.103 56.670 58.200 -0.713 0.000 0.817 175 S CB 2.748 65.542 63.200 -0.677 0.000 1.131 175 S HN -0.764 7.042 8.310 -0.841 0.000 0.467 176 D N 1.738 121.944 120.400 -0.323 0.000 2.123 176 D HA -0.175 nan 4.640 nan 0.000 0.200 176 D C 1.499 177.709 176.300 -0.149 0.000 0.976 176 D CA 3.326 57.199 54.000 -0.211 0.000 0.831 176 D CB -0.857 39.868 40.800 -0.126 0.000 0.974 176 D HN 0.508 8.695 8.370 -0.305 0.000 0.469 177 T N -2.754 111.747 114.554 -0.088 0.000 2.788 177 T HA -0.227 nan 4.350 nan 0.000 0.268 177 T C 1.983 176.785 174.700 0.170 0.000 1.044 177 T CA 2.910 65.031 62.100 0.036 0.000 1.139 177 T CB -0.631 68.259 68.868 0.037 0.000 0.867 177 T HN -0.319 7.864 8.240 -0.095 0.000 0.454 178 I N 2.375 123.000 120.570 0.091 0.000 2.179 178 I HA -0.523 nan 4.170 nan 0.000 0.242 178 I C 1.382 177.419 176.117 -0.134 0.000 1.088 178 I CA 3.962 65.253 61.300 -0.016 0.000 1.357 178 I CB -0.462 37.440 38.000 -0.164 0.000 1.051 178 I HN -0.789 7.421 8.210 0.001 0.000 0.409 179 R N -0.520 119.836 120.500 -0.239 0.000 2.091 179 R HA -0.488 nan 4.340 nan 0.000 0.238 179 R C 2.152 178.291 176.300 -0.269 0.000 1.136 179 R CA 3.974 59.918 56.100 -0.259 0.000 0.959 179 R CB -0.383 29.748 30.300 -0.282 0.000 0.856 179 R HN -0.206 7.896 8.270 -0.280 0.000 0.437 180 Q N -1.832 117.801 119.800 -0.278 0.000 2.050 180 Q HA -0.323 nan 4.340 nan 0.000 0.202 180 Q C 2.551 178.194 176.000 -0.596 0.000 0.980 180 Q CA 3.501 58.975 55.803 -0.548 0.000 0.840 180 Q CB -0.152 28.392 28.738 -0.323 0.000 0.898 180 Q HN -0.075 8.077 8.270 -0.191 0.004 0.424 181 T N 2.409 116.870 114.554 -0.154 0.000 2.720 181 T HA -0.360 nan 4.350 nan 0.000 0.268 181 T C 1.758 176.430 174.700 -0.046 0.000 1.037 181 T CA 4.924 67.032 62.100 0.014 0.000 1.144 181 T CB -0.495 68.507 68.868 0.223 0.000 0.864 181 T HN -0.221 8.001 8.240 -0.031 0.000 0.444 182 A N 0.476 123.263 122.820 -0.054 0.000 1.898 182 A HA -0.166 nan 4.320 nan 0.000 0.216 182 A C 1.913 179.474 177.584 -0.038 0.000 1.181 182 A CA 3.300 55.369 52.037 0.053 0.000 0.620 182 A CB -0.737 18.307 19.000 0.074 0.000 0.819 182 A HN 0.106 8.206 8.150 -0.084 0.000 0.442 183 V N -0.201 119.598 119.914 -0.193 0.000 2.358 183 V HA -0.373 nan 4.120 nan 0.000 0.246 183 V C 1.985 177.996 176.094 -0.139 0.000 1.047 183 V CA 4.454 66.639 62.300 -0.193 0.000 1.035 183 V CB -0.989 30.674 31.823 -0.266 0.000 0.658 183 V HN -0.129 7.895 8.190 -0.277 0.000 0.452 184 F N -0.922 118.849 119.950 -0.298 0.000 2.186 184 F HA -0.318 nan 4.527 nan 0.000 0.299 184 F C 1.818 177.464 175.800 -0.256 0.000 1.090 184 F CA 1.303 58.993 58.000 -0.517 0.000 1.307 184 F CB -1.858 36.719 39.000 -0.706 0.000 1.019 184 F HN -0.067 7.918 8.300 -0.525 0.000 0.489 185 A N -0.791 122.019 122.820 -0.016 0.000 1.908 185 A HA -0.396 nan 4.320 nan 0.000 0.218 185 A C 1.777 179.263 177.584 -0.163 0.000 1.181 185 A CA 3.138 55.136 52.037 -0.064 0.000 0.627 185 A CB -1.196 17.758 19.000 -0.078 0.000 0.818 185 A HN 0.049 8.185 8.150 -0.024 0.000 0.445 186 A N -0.987 121.600 122.820 -0.389 0.000 1.858 186 A HA -0.245 nan 4.320 nan 0.000 0.216 186 A C 1.779 179.390 177.584 0.046 0.000 1.190 186 A CA 2.867 54.689 52.037 -0.357 0.000 0.617 186 A CB -0.701 18.141 19.000 -0.263 0.000 0.827 186 A HN -0.277 7.586 8.150 -0.330 0.089 0.443 187 L N -2.157 119.095 121.223 0.049 0.000 2.079 187 L HA -0.380 nan 4.340 nan 0.000 0.210 187 L C 1.786 178.656 176.870 0.000 0.000 1.081 187 L CA 3.110 57.977 54.840 0.046 0.000 0.752 187 L CB -0.262 41.877 42.059 0.133 0.000 0.896 187 L HN 0.159 8.402 8.230 0.023 0.000 0.433 188 D N -0.702 119.704 120.400 0.011 0.000 2.144 188 D HA -0.293 nan 4.640 nan 0.000 0.199 188 D C 2.583 178.947 176.300 0.107 0.000 0.984 188 D CA 3.457 57.437 54.000 -0.034 0.000 0.834 188 D CB -0.777 39.977 40.800 -0.078 0.000 0.955 188 D HN -0.062 8.320 8.370 0.030 0.007 0.465 189 K N -0.213 120.248 120.400 0.102 0.000 2.026 189 K HA -0.185 nan 4.320 nan 0.000 0.208 189 K C 2.472 179.084 176.600 0.021 0.000 1.048 189 K CA 2.413 58.775 56.287 0.125 0.000 0.929 189 K CB -0.400 32.205 32.500 0.175 0.000 0.713 189 K HN -0.405 7.810 8.250 0.075 0.080 0.439 190 V N 0.579 120.408 119.914 -0.141 0.000 2.626 190 V HA -0.306 nan 4.120 nan 0.000 0.252 190 V C 1.369 177.356 176.094 -0.178 0.000 1.067 190 V CA 3.305 65.398 62.300 -0.345 0.000 1.081 190 V CB -0.497 30.703 31.823 -1.039 0.000 0.686 190 V HN -0.120 7.995 8.190 -0.124 0.000 0.468 191 D N -0.334 120.014 120.400 -0.086 0.000 2.097 191 D HA -0.329 nan 4.640 nan 0.000 0.195 191 D C 1.956 178.284 176.300 0.046 0.000 0.989 191 D CA 3.739 57.738 54.000 -0.003 0.000 0.827 191 D CB -0.253 40.587 40.800 0.068 0.000 0.966 191 D HN 0.172 8.403 8.370 -0.078 0.092 0.456 192 N N -0.117 118.638 118.700 0.091 0.000 2.061 192 N HA -0.408 nan 4.740 nan 0.000 0.193 192 N C 2.097 177.570 175.510 -0.063 0.000 1.030 192 N CA 2.949 56.033 53.050 0.057 0.000 0.856 192 N CB 0.049 38.590 38.487 0.090 0.000 1.023 192 N HN 0.012 8.466 8.380 0.122 0.000 0.424 193 A N -0.638 122.121 122.820 -0.102 0.000 1.902 193 A HA -0.286 nan 4.320 nan 0.000 0.217 193 A C 2.251 179.703 177.584 -0.219 0.000 1.181 193 A CA 3.078 54.993 52.037 -0.203 0.000 0.623 193 A CB -0.734 18.157 19.000 -0.182 0.000 0.818 193 A HN -0.331 7.707 8.150 -0.066 0.073 0.443 194 Q N -1.704 118.003 119.800 -0.154 0.000 2.172 194 Q HA -0.280 nan 4.340 nan 0.000 0.200 194 Q C 2.734 178.683 176.000 -0.085 0.000 0.964 194 Q CA 2.854 58.577 55.803 -0.133 0.000 0.855 194 Q CB -0.031 28.647 28.738 -0.101 0.000 0.918 194 Q HN -0.072 8.047 8.270 -0.127 0.075 0.444 195 M N 0.076 119.659 119.600 -0.029 0.000 2.175 195 M HA -0.239 nan 4.480 nan 0.000 0.264 195 M C 2.326 178.569 176.300 -0.095 0.000 1.063 195 M CA 1.753 57.104 55.300 0.085 0.000 1.119 195 M CB -0.887 31.846 32.600 0.223 0.000 1.377 195 M HN 0.273 8.456 8.290 -0.028 0.090 0.415 196 I N -0.188 120.244 120.570 -0.231 0.000 2.208 196 I HA -0.604 nan 4.170 nan 0.000 0.245 196 I C 1.859 177.767 176.117 -0.350 0.000 1.097 196 I CA 4.280 65.307 61.300 -0.455 0.000 1.363 196 I CB -0.590 36.984 38.000 -0.710 0.000 1.051 196 I HN 0.007 8.095 8.210 -0.202 0.000 0.413 197 Q N -0.808 118.832 119.800 -0.267 0.000 2.119 197 Q HA -0.294 nan 4.340 nan 0.000 0.201 197 Q C 2.202 178.128 176.000 -0.124 0.000 0.972 197 Q CA 2.567 58.255 55.803 -0.191 0.000 0.847 197 Q CB -0.472 28.152 28.738 -0.190 0.000 0.903 197 Q HN -0.554 7.558 8.270 -0.264 0.000 0.433 198 M N 0.600 120.138 119.600 -0.104 0.000 2.117 198 M HA -0.468 nan 4.480 nan 0.000 0.262 198 M C 1.596 177.846 176.300 -0.084 0.000 1.065 198 M CA 4.070 59.354 55.300 -0.027 0.000 1.114 198 M CB -0.113 32.532 32.600 0.076 0.000 1.361 198 M HN 0.200 8.243 8.290 -0.109 0.181 0.408 199 E N -0.461 119.511 120.200 -0.380 0.000 2.058 199 E HA -0.468 nan 4.350 nan 0.000 0.194 199 E C 2.109 178.642 176.600 -0.111 0.000 0.997 199 E CA 3.662 59.748 56.400 -0.524 0.000 0.801 199 E CB -0.258 28.886 29.700 -0.926 0.000 0.746 199 E HN 0.184 8.271 8.360 -0.455 0.000 0.450 200 R N -1.709 118.757 120.500 -0.057 0.000 2.096 200 R HA -0.274 nan 4.340 nan 0.000 0.235 200 R C 2.933 179.315 176.300 0.137 0.000 1.127 200 R CA 3.203 59.373 56.100 0.117 0.000 0.968 200 R CB -0.052 30.319 30.300 0.118 0.000 0.861 200 R HN -0.475 7.717 8.270 -0.129 0.000 0.440 201 L N -1.382 119.888 121.223 0.079 0.000 2.141 201 L HA -0.338 nan 4.340 nan 0.000 0.209 201 L C 2.169 179.102 176.870 0.106 0.000 1.094 201 L CA 2.771 57.665 54.840 0.090 0.000 0.763 201 L CB -0.298 41.800 42.059 0.065 0.000 0.908 201 L HN -0.031 8.219 8.230 0.032 0.000 0.437 202 F N 0.969 120.890 119.950 -0.048 0.000 2.102 202 F HA -0.395 nan 4.527 nan 0.000 0.298 202 F C 1.580 177.318 175.800 -0.104 0.000 1.105 202 F CA 3.374 61.345 58.000 -0.049 0.000 1.239 202 F CB 0.305 39.290 39.000 -0.025 0.000 0.991 202 F HN -0.197 8.155 8.300 0.220 0.080 0.474 203 I N -1.712 118.715 120.570 -0.238 0.000 2.264 203 I HA -0.657 nan 4.170 nan 0.000 0.248 203 I C 1.435 177.229 176.117 -0.539 0.000 1.111 203 I CA 3.896 64.859 61.300 -0.562 0.000 1.382 203 I CB -0.534 36.943 38.000 -0.872 0.000 1.060 203 I HN 0.102 8.291 8.210 -0.034 0.000 0.418 204 A N -2.083 120.589 122.820 -0.246 0.000 2.019 204 A HA -0.243 nan 4.320 nan 0.000 0.219 204 A C 1.048 178.586 177.584 -0.077 0.000 1.164 204 A CA 2.772 54.810 52.037 0.003 0.000 0.644 204 A CB -0.855 18.249 19.000 0.173 0.000 0.805 204 A HN -0.398 7.580 8.150 -0.128 0.095 0.449 205 K N -3.250 117.057 120.400 -0.156 0.000 2.296 205 K HA -0.167 nan 4.320 nan 0.000 0.200 205 K C 0.802 177.278 176.600 -0.207 0.000 1.048 205 K CA 1.853 58.051 56.287 -0.150 0.000 0.966 205 K CB -0.018 32.397 32.500 -0.141 0.000 0.754 205 K HN -0.568 7.430 8.250 -0.192 0.137 0.466 206 L N -1.806 119.227 121.223 -0.316 0.000 2.253 206 L HA -0.031 nan 4.340 nan 0.000 0.205 206 L C 0.231 176.994 176.870 -0.178 0.000 1.078 206 L CA 1.212 55.881 54.840 -0.286 0.000 0.805 206 L CB 1.106 42.916 42.059 -0.415 0.000 0.963 206 L HN -0.670 7.164 8.230 -0.394 0.159 0.459 207 V N -0.453 119.358 119.914 -0.173 0.000 2.293 207 V HA 0.381 nan 4.120 nan 0.000 0.275 207 V C -2.279 173.818 176.094 0.005 0.000 1.021 207 V CA -2.976 59.276 62.300 -0.080 0.000 0.815 207 V CB 0.926 32.687 31.823 -0.104 0.000 1.025 207 V HN -0.036 8.015 8.190 -0.231 0.000 0.448 208 P HA -0.044 nan 4.420 nan 0.000 0.264 208 P C 0.148 177.485 177.300 0.063 0.000 1.193 208 P CA 1.391 64.507 63.100 0.027 0.000 0.763 208 P CB 0.149 31.855 31.700 0.011 0.000 0.810 209 G N 2.371 111.212 108.800 0.068 0.000 2.241 209 G HA2 -0.404 nan 3.960 nan 0.000 0.244 209 G HA3 -0.404 nan 3.960 nan 0.000 0.244 209 G C -0.720 174.242 174.900 0.103 0.000 0.998 209 G CA -0.427 44.712 45.100 0.066 0.000 0.621 209 G HN 0.348 8.672 8.290 0.058 0.000 0.519 210 F N 3.263 123.197 119.950 -0.026 0.000 2.504 210 F HA -0.163 nan 4.527 nan 0.000 0.369 210 F C -1.233 174.548 175.800 -0.032 0.000 1.082 210 F CA 0.675 58.657 58.000 -0.029 0.000 1.216 210 F CB 0.959 39.938 39.000 -0.035 0.000 1.108 210 F HN -0.520 7.861 8.300 0.256 0.072 0.554 211 D N 7.139 127.346 120.400 -0.322 0.000 2.359 211 D HA 0.038 nan 4.640 nan 0.000 0.230 211 D C -1.208 174.947 176.300 -0.241 0.000 1.118 211 D CA -1.291 52.590 54.000 -0.199 0.000 0.844 211 D CB 0.949 41.632 40.800 -0.197 0.000 1.059 211 D HN 0.053 8.047 8.370 -0.626 0.000 0.493 212 A N 4.598 127.406 122.820 -0.019 0.000 2.275 212 A HA 0.054 nan 4.320 nan 0.000 0.212 212 A C 0.160 177.726 177.584 -0.029 0.000 1.201 212 A CA -0.324 51.731 52.037 0.031 0.000 0.843 212 A CB 0.074 19.155 19.000 0.135 0.000 0.873 212 A HN 0.353 8.527 8.150 0.039 0.000 0.492 213 S N -0.596 115.072 115.700 -0.053 0.000 2.566 213 S HA -0.105 nan 4.470 nan 0.000 0.280 213 S C 0.865 175.430 174.600 -0.057 0.000 1.343 213 S CA 0.220 58.391 58.200 -0.049 0.000 1.036 213 S CB 0.990 64.160 63.200 -0.050 0.000 0.866 213 S HN -0.477 8.027 8.310 -0.065 -0.233 0.526 214 T N 1.808 116.340 114.554 -0.036 0.000 3.129 214 T HA 0.160 nan 4.350 nan 0.000 0.251 214 T C 1.952 176.654 174.700 0.003 0.000 1.117 214 T CA 1.079 63.175 62.100 -0.006 0.000 1.034 214 T CB -0.671 68.214 68.868 0.029 0.000 0.968 214 T HN 0.329 8.550 8.240 -0.032 0.000 0.526 215 D N 3.179 123.563 120.400 -0.027 0.000 2.126 215 D HA -0.325 nan 4.640 nan 0.000 0.190 215 D C 1.764 178.030 176.300 -0.056 0.000 1.001 215 D CA 3.561 57.539 54.000 -0.037 0.000 0.841 215 D CB -0.554 40.220 40.800 -0.043 0.000 0.949 215 D HN -0.049 8.238 8.370 -0.035 0.062 0.446 216 V N -0.526 119.343 119.914 -0.076 0.000 2.270 216 V HA -0.151 nan 4.120 nan 0.000 0.245 216 V C -0.714 175.319 176.094 -0.102 0.000 1.043 216 V CA 5.869 68.111 62.300 -0.097 0.000 1.014 216 V CB -2.145 29.602 31.823 -0.126 0.000 0.645 216 V HN 0.209 8.351 8.190 -0.081 0.000 0.447 217 P HA -0.289 nan 4.420 nan 0.000 0.216 217 P C 1.518 178.786 177.300 -0.054 0.000 1.150 217 P CA 3.169 66.240 63.100 -0.047 0.000 0.843 217 P CB -0.395 31.317 31.700 0.019 0.000 0.787 218 K N -2.115 118.229 120.400 -0.093 0.000 2.057 218 K HA -0.324 nan 4.320 nan 0.000 0.206 218 K C 1.873 178.354 176.600 -0.200 0.000 1.050 218 K CA 3.580 59.655 56.287 -0.353 0.000 0.935 218 K CB -0.042 32.329 32.500 -0.215 0.000 0.715 218 K HN 0.321 8.444 8.250 -0.026 0.112 0.439 219 K N -0.532 119.801 120.400 -0.112 0.000 2.103 219 K HA -0.266 nan 4.320 nan 0.000 0.207 219 K C 2.606 179.172 176.600 -0.056 0.000 1.048 219 K CA 3.193 59.433 56.287 -0.078 0.000 0.930 219 K CB -0.122 32.340 32.500 -0.064 0.000 0.716 219 K HN -0.310 7.882 8.250 -0.098 0.000 0.444 220 I N -0.464 120.074 120.570 -0.052 0.000 2.252 220 I HA -0.432 nan 4.170 nan 0.000 0.245 220 I C 1.869 178.066 176.117 0.134 0.000 1.102 220 I CA 4.004 65.309 61.300 0.009 0.000 1.385 220 I CB -0.016 37.915 38.000 -0.116 0.000 1.064 220 I HN 0.171 8.240 8.210 -0.081 0.092 0.414 221 W N 0.725 121.932 121.300 -0.154 0.000 2.358 221 W HA -0.445 nan 4.660 nan 0.000 0.303 221 W C 1.296 177.755 176.519 -0.100 0.000 1.208 221 W CA 3.368 60.600 57.345 -0.188 0.000 1.274 221 W CB 0.845 30.049 29.460 -0.427 0.000 1.138 221 W HN 0.174 8.399 8.180 0.075 0.000 0.515 222 T N -6.455 107.999 114.554 -0.167 0.000 3.035 222 T HA -0.000 nan 4.350 nan 0.000 0.259 222 T C 1.427 176.032 174.700 -0.159 0.000 1.078 222 T CA 2.508 64.466 62.100 -0.236 0.000 1.132 222 T CB 0.104 68.894 68.868 -0.131 0.000 0.900 222 T HN -0.179 8.018 8.240 -0.072 0.000 0.480 223 T N -4.597 109.906 114.554 -0.085 0.000 2.958 223 T HA 0.230 nan 4.350 nan 0.000 0.256 223 T C 0.011 174.705 174.700 -0.009 0.000 0.983 223 T CA -0.367 61.703 62.100 -0.051 0.000 0.924 223 T CB 1.089 69.934 68.868 -0.038 0.000 1.136 223 T HN -0.081 8.122 8.240 -0.062 0.000 0.506 224 D N 3.972 124.396 120.400 0.040 0.000 2.390 224 D HA 0.298 nan 4.640 nan 0.000 0.249 224 D C -0.717 175.636 176.300 0.088 0.000 1.144 224 D CA -2.185 51.875 54.000 0.100 0.000 0.880 224 D CB 1.606 42.530 40.800 0.206 0.000 1.182 224 D HN -0.548 7.744 8.370 0.046 0.106 0.451 225 P HA -0.150 nan 4.420 nan 0.000 0.219 225 P C 1.400 178.726 177.300 0.043 0.000 1.146 225 P CA 1.816 64.935 63.100 0.031 0.000 0.808 225 P CB 0.308 32.018 31.700 0.016 0.000 0.779 226 I N -2.621 117.980 120.570 0.052 0.000 2.335 226 I HA -0.414 nan 4.170 nan 0.000 0.251 226 I C 0.928 177.049 176.117 0.007 0.000 1.129 226 I CA 3.431 64.711 61.300 -0.033 0.000 1.402 226 I CB 0.228 38.144 38.000 -0.140 0.000 1.069 226 I HN -0.033 8.559 8.210 0.087 -0.330 0.424 227 Y N -5.126 115.296 120.300 0.202 0.000 2.555 227 Y HA 0.190 nan 4.550 nan 0.000 0.259 227 Y C 0.468 176.273 175.900 -0.159 0.000 1.179 227 Y CA -0.739 57.440 58.100 0.131 0.000 1.230 227 Y CB -0.087 38.489 38.460 0.194 0.000 1.146 227 Y HN -0.599 7.829 8.280 0.271 0.014 0.526 228 S N 2.145 117.851 115.700 0.011 0.000 2.356 228 S HA -0.328 nan 4.470 nan 0.000 0.223 228 S C 2.399 176.930 174.600 -0.114 0.000 1.032 228 S CA 4.186 62.327 58.200 -0.098 0.000 1.005 228 S CB -0.451 62.712 63.200 -0.062 0.000 0.867 228 S HN -0.262 7.896 8.310 0.055 0.184 0.449 229 G N 0.476 109.247 108.800 -0.048 0.000 2.408 229 G HA2 -0.259 nan 3.960 nan 0.000 0.217 229 G HA3 -0.259 nan 3.960 nan 0.000 0.217 229 G C -0.049 174.792 174.900 -0.099 0.000 1.150 229 G CA 1.858 46.927 45.100 -0.052 0.000 0.776 229 G HN -0.009 8.458 8.290 -0.000 -0.178 0.542 230 A N 2.122 124.865 122.820 -0.128 0.000 1.873 230 A HA -0.233 nan 4.320 nan 0.000 0.215 230 A C 1.672 179.173 177.584 -0.138 0.000 1.186 230 A CA 2.668 54.594 52.037 -0.185 0.000 0.616 230 A CB -0.750 18.080 19.000 -0.283 0.000 0.823 230 A HN -0.208 7.890 8.150 -0.060 0.015 0.442 231 R N -0.839 119.403 120.500 -0.429 0.000 2.091 231 R HA -0.390 nan 4.340 nan 0.000 0.238 231 R C 1.963 178.137 176.300 -0.210 0.000 1.136 231 R CA 3.340 59.099 56.100 -0.568 0.000 0.959 231 R CB -0.059 29.573 30.300 -1.113 0.000 0.856 231 R HN 0.238 8.203 8.270 -0.509 0.000 0.437 232 A N -2.799 119.906 122.820 -0.191 0.000 1.877 232 A HA -0.245 nan 4.320 nan 0.000 0.216 232 A C 2.248 179.777 177.584 -0.092 0.000 1.186 232 A CA 3.280 55.246 52.037 -0.117 0.000 0.620 232 A CB -0.898 18.045 19.000 -0.096 0.000 0.822 232 A HN -0.161 7.859 8.150 -0.216 0.000 0.443 233 T N 2.285 116.762 114.554 -0.129 0.000 2.737 233 T HA -0.299 nan 4.350 nan 0.000 0.265 233 T C 1.968 176.528 174.700 -0.233 0.000 1.038 233 T CA 4.706 66.708 62.100 -0.164 0.000 1.144 233 T CB -0.374 68.352 68.868 -0.236 0.000 0.866 233 T HN -0.525 7.631 8.240 -0.141 0.000 0.434 234 V N 2.452 122.194 119.914 -0.288 0.000 2.343 234 V HA -0.467 nan 4.120 nan 0.000 0.247 234 V C 1.758 177.902 176.094 0.083 0.000 1.051 234 V CA 4.540 66.752 62.300 -0.146 0.000 1.036 234 V CB -0.948 30.926 31.823 0.085 0.000 0.654 234 V HN 0.308 8.334 8.190 -0.272 0.000 0.451 235 Q N -1.786 118.062 119.800 0.080 0.000 2.124 235 Q HA -0.421 nan 4.340 nan 0.000 0.202 235 Q C 2.167 178.163 176.000 -0.007 0.000 0.977 235 Q CA 3.704 59.532 55.803 0.042 0.000 0.850 235 Q CB -0.294 28.426 28.738 -0.030 0.000 0.901 235 Q HN 0.174 8.466 8.270 0.036 0.000 0.429 236 E N 0.561 120.763 120.200 0.003 0.000 2.072 236 E HA -0.242 nan 4.350 nan 0.000 0.190 236 E C 2.812 179.448 176.600 0.059 0.000 0.982 236 E CA 2.766 59.187 56.400 0.035 0.000 0.803 236 E CB -0.099 29.656 29.700 0.092 0.000 0.755 236 E HN -0.609 7.648 8.360 -0.010 0.097 0.453 237 I N -0.195 120.395 120.570 0.034 0.000 2.179 237 I HA -0.408 nan 4.170 nan 0.000 0.242 237 I C 1.732 177.867 176.117 0.030 0.000 1.088 237 I CA 3.470 64.745 61.300 -0.042 0.000 1.357 237 I CB -0.042 37.851 38.000 -0.178 0.000 1.051 237 I HN -0.042 8.169 8.210 0.002 0.000 0.409 238 W N -0.488 120.730 121.300 -0.137 0.000 2.381 238 W HA -0.300 nan 4.660 nan 0.000 0.321 238 W C 0.912 177.372 176.519 -0.099 0.000 1.196 238 W CA 2.499 59.767 57.345 -0.129 0.000 1.304 238 W CB -0.071 29.327 29.460 -0.104 0.000 1.166 238 W HN -0.118 8.187 8.180 0.208 0.000 0.473 239 Q N -4.060 115.680 119.800 -0.099 0.000 2.319 239 Q HA 0.151 nan 4.340 nan 0.000 0.209 239 Q C 1.435 177.362 176.000 -0.122 0.000 0.884 239 Q CA 0.523 56.181 55.803 -0.242 0.000 0.938 239 Q CB 1.160 29.593 28.738 -0.508 0.000 1.098 239 Q HN -0.257 7.963 8.270 -0.082 0.000 0.517 240 G N -0.052 108.712 108.800 -0.061 0.000 2.939 240 G HA2 -0.017 nan 3.960 nan 0.000 0.210 240 G HA3 -0.017 nan 3.960 nan 0.000 0.210 240 G C -1.249 173.633 174.900 -0.029 0.000 1.160 240 G CA 0.261 45.336 45.100 -0.042 0.000 0.770 240 G HN 0.026 8.191 8.290 -0.031 0.106 0.543 241 V N -5.974 113.923 119.914 -0.029 0.000 3.159 241 V HA 0.372 nan 4.120 nan 0.000 0.308 241 V C -1.600 174.466 176.094 -0.047 0.000 1.190 241 V CA -2.226 60.047 62.300 -0.046 0.000 1.037 241 V CB 2.366 34.149 31.823 -0.068 0.000 1.060 241 V HN -0.878 7.259 8.190 -0.022 0.040 0.437 242 Q N -0.813 118.954 119.800 -0.054 0.000 2.179 242 Q HA 0.032 nan 4.340 nan 0.000 0.244 242 Q C -1.107 174.881 176.000 -0.020 0.000 0.808 242 Q CA -0.152 55.637 55.803 -0.024 0.000 0.955 242 Q CB 1.316 30.048 28.738 -0.010 0.000 1.141 242 Q HN 0.190 8.420 8.270 -0.067 0.000 0.485 243 D N 1.145 121.484 120.400 -0.101 0.000 2.426 243 D HA -0.129 nan 4.640 nan 0.000 0.261 243 D C 1.134 177.318 176.300 -0.192 0.000 1.245 243 D CA 0.387 54.277 54.000 -0.184 0.000 0.917 243 D CB -0.066 40.566 40.800 -0.279 0.000 1.123 243 D HN -0.463 7.835 8.370 -0.120 0.000 0.508 244 W N 5.079 126.321 121.300 -0.096 0.000 2.425 244 W HA -0.343 nan 4.660 nan 0.000 0.277 244 W C 0.631 177.144 176.519 -0.010 0.000 1.231 244 W CA 2.082 59.379 57.345 -0.080 0.000 1.248 244 W CB -0.995 28.413 29.460 -0.086 0.000 1.117 244 W HN -0.284 7.850 8.180 -0.077 0.000 0.568 245 N N 1.334 119.730 118.700 -0.507 0.000 2.270 245 N HA -0.228 nan 4.740 nan 0.000 0.181 245 N C 1.511 177.027 175.510 0.010 0.000 1.016 245 N CA 3.667 56.668 53.050 -0.082 0.000 0.870 245 N CB -0.304 38.108 38.487 -0.125 0.000 0.979 245 N HN -0.226 7.719 8.380 -0.992 -0.160 0.431 246 E N 1.782 121.668 120.200 -0.523 0.000 2.072 246 E HA -0.252 nan 4.350 nan 0.000 0.191 246 E C 2.280 178.600 176.600 -0.466 0.000 0.985 246 E CA 3.010 58.825 56.400 -0.975 0.000 0.801 246 E CB -0.067 28.840 29.700 -1.321 0.000 0.750 246 E HN -0.711 7.460 8.360 -0.554 -0.144 0.452 247 I N -0.325 120.067 120.570 -0.296 0.000 2.179 247 I HA -0.489 nan 4.170 nan 0.000 0.242 247 I C 2.139 178.147 176.117 -0.182 0.000 1.088 247 I CA 4.082 65.237 61.300 -0.240 0.000 1.357 247 I CB -0.025 37.879 38.000 -0.160 0.000 1.051 247 I HN -0.287 7.766 8.210 -0.261 0.000 0.409 248 L N -1.794 119.449 121.223 0.034 0.000 2.056 248 L HA -0.408 nan 4.340 nan 0.000 0.207 248 L C 2.009 178.954 176.870 0.125 0.000 1.078 248 L CA 3.204 58.183 54.840 0.230 0.000 0.749 248 L CB -0.401 42.000 42.059 0.571 0.000 0.901 248 L HN -0.641 7.656 8.230 0.111 0.000 0.433 249 W N -0.221 120.915 121.300 -0.274 0.000 2.354 249 W HA -0.490 nan 4.660 nan 0.000 0.315 249 W C 1.547 177.875 176.519 -0.318 0.000 1.206 249 W CA 3.390 60.411 57.345 -0.540 0.000 1.290 249 W CB 0.427 29.511 29.460 -0.628 0.000 1.152 249 W HN 0.128 8.383 8.180 0.124 0.000 0.489 250 A N -2.231 120.372 122.820 -0.362 0.000 1.877 250 A HA -0.354 nan 4.320 nan 0.000 0.216 250 A C 1.929 179.255 177.584 -0.431 0.000 1.186 250 A CA 3.277 54.952 52.037 -0.604 0.000 0.620 250 A CB -1.002 17.228 19.000 -1.283 0.000 0.822 250 A HN 0.480 8.376 8.150 -0.246 0.106 0.443 251 G N -2.669 105.908 108.800 -0.371 0.000 2.433 251 G HA2 -0.310 nan 3.960 nan 0.000 0.216 251 G HA3 -0.310 nan 3.960 nan 0.000 0.216 251 G C 1.474 176.229 174.900 -0.241 0.000 1.186 251 G CA 2.247 47.165 45.100 -0.304 0.000 0.779 251 G HN 0.141 8.102 8.290 -0.373 0.105 0.543 252 H N 0.638 119.673 119.070 -0.059 0.000 2.439 252 H HA 0.153 nan 4.556 nan 0.000 0.299 252 H C 1.097 176.330 175.328 -0.159 0.000 1.033 252 H CA 2.327 58.376 56.048 0.001 0.000 1.348 252 H CB 0.831 30.621 29.762 0.047 0.000 1.449 252 H HN -0.115 8.051 8.280 -0.192 0.000 0.544 253 A N -1.587 120.963 122.820 -0.451 0.000 2.123 253 A HA -0.026 nan 4.320 nan 0.000 0.214 253 A C 0.390 177.525 177.584 -0.749 0.000 1.152 253 A CA 2.095 53.449 52.037 -1.140 0.000 0.728 253 A CB 0.626 18.315 19.000 -2.186 0.000 0.814 253 A HN -0.236 7.626 8.150 -0.481 0.000 0.464 254 V N -0.831 118.795 119.914 -0.481 0.000 3.240 254 V HA 0.060 nan 4.120 nan 0.000 0.218 254 V C 0.888 176.898 176.094 -0.140 0.000 1.190 254 V CA 2.908 65.056 62.300 -0.253 0.000 1.280 254 V CB 0.583 32.284 31.823 -0.203 0.000 1.244 254 V HN -0.558 7.315 8.190 -0.475 0.032 0.512 255 Y N 1.153 121.357 120.300 -0.160 0.000 2.097 255 Y HA -0.554 nan 4.550 nan 0.000 0.282 255 Y C 1.492 177.427 175.900 0.059 0.000 1.152 255 Y CA 4.500 62.574 58.100 -0.044 0.000 1.136 255 Y CB 0.133 38.569 38.460 -0.040 0.000 0.975 255 Y HN 0.317 8.601 8.280 0.007 0.000 0.498 256 D N -1.323 119.102 120.400 0.040 0.000 2.224 256 D HA -0.250 nan 4.640 nan 0.000 0.205 256 D C 1.777 178.138 176.300 0.102 0.000 0.965 256 D CA 3.046 57.081 54.000 0.059 0.000 0.852 256 D CB -0.437 40.551 40.800 0.314 0.000 0.947 256 D HN -0.147 8.319 8.370 0.159 0.000 0.494 257 A N -4.729 118.205 122.820 0.190 0.000 2.119 257 A HA -0.081 nan 4.320 nan 0.000 0.217 257 A C 0.651 178.238 177.584 0.006 0.000 1.153 257 A CA 2.315 54.528 52.037 0.294 0.000 0.692 257 A CB -0.343 19.001 19.000 0.573 0.000 0.799 257 A HN -0.182 8.030 8.150 0.135 0.019 0.458 258 T N -4.597 109.842 114.554 -0.192 0.000 3.391 258 T HA 0.207 nan 4.350 nan 0.000 0.233 258 T C 1.089 175.617 174.700 -0.286 0.000 0.960 258 T CA 0.737 62.626 62.100 -0.352 0.000 1.342 258 T CB 0.927 69.492 68.868 -0.504 0.000 1.124 258 T HN -0.611 7.377 8.240 -0.180 0.144 0.396 259 F N 3.714 123.430 119.950 -0.390 0.000 2.102 259 F HA -0.316 nan 4.527 nan 0.000 0.298 259 F C 1.330 176.930 175.800 -0.334 0.000 1.105 259 F CA 3.344 61.118 58.000 -0.377 0.000 1.239 259 F CB 0.265 38.944 39.000 -0.535 0.000 0.991 259 F HN -0.412 7.781 8.300 -0.178 0.000 0.474 260 G N -2.595 105.996 108.800 -0.349 0.000 2.421 260 G HA2 -0.412 nan 3.960 nan 0.000 0.216 260 G HA3 -0.412 nan 3.960 nan 0.000 0.216 260 G C 1.127 175.854 174.900 -0.288 0.000 1.171 260 G CA 2.257 47.204 45.100 -0.255 0.000 0.775 260 G HN -0.184 7.896 8.290 -0.350 0.000 0.543 261 Q N 1.884 121.488 119.800 -0.328 0.000 2.124 261 Q HA -0.272 nan 4.340 nan 0.000 0.202 261 Q C 2.442 178.293 176.000 -0.247 0.000 0.977 261 Q CA 2.554 58.140 55.803 -0.361 0.000 0.850 261 Q CB -0.422 28.074 28.738 -0.403 0.000 0.901 261 Q HN -0.417 7.669 8.270 -0.305 0.000 0.429 262 F N 1.270 121.005 119.950 -0.358 0.000 2.075 262 F HA -0.470 nan 4.527 nan 0.000 0.297 262 F C 0.759 176.412 175.800 -0.245 0.000 1.113 262 F CA 3.395 61.228 58.000 -0.279 0.000 1.218 262 F CB -0.008 38.805 39.000 -0.311 0.000 0.984 262 F HN -0.028 8.167 8.300 -0.175 0.000 0.472 263 A N -1.666 120.948 122.820 -0.344 0.000 1.877 263 A HA -0.394 nan 4.320 nan 0.000 0.216 263 A C 2.158 179.825 177.584 0.139 0.000 1.186 263 A CA 3.416 55.274 52.037 -0.299 0.000 0.620 263 A CB -0.768 17.848 19.000 -0.641 0.000 0.822 263 A HN 0.289 8.103 8.150 -0.559 0.000 0.443 264 R N -2.765 117.787 120.500 0.086 0.000 2.057 264 R HA -0.270 nan 4.340 nan 0.000 0.229 264 R C 2.456 178.825 176.300 0.115 0.000 1.136 264 R CA 3.834 60.069 56.100 0.225 0.000 0.952 264 R CB 0.113 30.483 30.300 0.117 0.000 0.848 264 R HN 0.090 8.316 8.270 -0.074 0.000 0.430 265 R N -1.500 118.970 120.500 -0.050 0.000 2.064 265 R HA -0.171 nan 4.340 nan 0.000 0.221 265 R C 2.285 178.490 176.300 -0.159 0.000 1.136 265 R CA 3.494 59.538 56.100 -0.094 0.000 0.980 265 R CB 0.078 30.296 30.300 -0.138 0.000 0.876 265 R HN 0.013 8.214 8.270 -0.115 0.000 0.437 266 E N -1.907 118.105 120.200 -0.312 0.000 2.208 266 E HA -0.241 nan 4.350 nan 0.000 0.193 266 E C 2.070 178.440 176.600 -0.384 0.000 0.988 266 E CA 2.471 58.598 56.400 -0.455 0.000 0.828 266 E CB -0.137 29.049 29.700 -0.857 0.000 0.763 266 E HN -0.511 7.637 8.360 -0.354 0.000 0.478 267 F N 0.197 119.890 119.950 -0.428 0.000 2.389 267 F HA -0.056 nan 4.527 nan 0.000 0.275 267 F C 1.178 176.858 175.800 -0.199 0.000 1.009 267 F CA 2.818 60.627 58.000 -0.318 0.000 1.187 267 F CB 1.372 40.181 39.000 -0.319 0.000 1.139 267 F HN -0.344 7.833 8.300 -0.205 0.000 0.613 268 F N -1.592 118.601 119.950 0.405 0.000 2.163 268 F HA -0.317 nan 4.527 nan 0.000 0.297 268 F C 2.357 178.215 175.800 0.098 0.000 1.094 268 F CA 4.106 62.294 58.000 0.313 0.000 1.290 268 F CB -0.092 38.973 39.000 0.109 0.000 1.017 268 F HN 0.258 8.733 8.300 0.291 0.000 0.483 269 Q N -0.445 119.449 119.800 0.157 0.000 2.020 269 Q HA -0.305 nan 4.340 nan 0.000 0.198 269 Q C 2.261 178.229 176.000 -0.054 0.000 0.974 269 Q CA 3.199 59.031 55.803 0.049 0.000 0.829 269 Q CB 0.096 28.846 28.738 0.020 0.000 0.894 269 Q HN -0.073 8.299 8.270 0.170 0.000 0.433 270 R N -0.514 119.918 120.500 -0.112 0.000 2.094 270 R HA -0.260 nan 4.340 nan 0.000 0.239 270 R C 2.945 179.078 176.300 -0.279 0.000 1.137 270 R CA 2.630 58.622 56.100 -0.180 0.000 0.943 270 R CB -0.323 29.862 30.300 -0.191 0.000 0.850 270 R HN -0.368 7.843 8.270 -0.098 0.000 0.433 271 L N -2.563 118.442 121.223 -0.364 0.000 2.201 271 L HA -0.205 nan 4.340 nan 0.000 0.212 271 L C 1.432 177.849 176.870 -0.755 0.000 1.105 271 L CA 2.204 56.685 54.840 -0.600 0.000 0.775 271 L CB -0.619 41.057 42.059 -0.638 0.000 0.913 271 L HN -0.357 7.681 8.230 -0.320 0.000 0.440 272 A N -1.737 120.799 122.820 -0.472 0.000 1.978 272 A HA -0.268 nan 4.320 nan 0.000 0.220 272 A C 0.585 177.970 177.584 -0.331 0.000 1.170 272 A CA 3.087 54.885 52.037 -0.398 0.000 0.636 272 A CB -0.485 18.533 19.000 0.031 0.000 0.810 272 A HN -0.363 7.539 8.150 -0.226 0.113 0.448 273 T N -7.598 106.786 114.554 -0.283 0.000 3.278 273 T HA 0.238 nan 4.350 nan 0.000 0.251 273 T C 0.381 174.905 174.700 -0.293 0.000 1.039 273 T CA 0.586 62.556 62.100 -0.217 0.000 0.935 273 T CB -0.551 68.233 68.868 -0.141 0.000 1.034 273 T HN -0.416 7.535 8.240 -0.275 0.124 0.575 274 V N -1.053 118.571 119.914 -0.482 0.000 3.431 274 V HA 0.276 nan 4.120 nan 0.000 0.255 274 V C 0.312 176.008 176.094 -0.663 0.000 1.403 274 V CA 1.647 63.583 62.300 -0.608 0.000 1.101 274 V CB 1.758 33.083 31.823 -0.831 0.000 0.891 274 V HN -0.110 7.522 8.190 -0.581 0.209 0.446 275 Y N -1.898 118.154 120.300 -0.413 0.000 2.607 275 Y HA 0.267 nan 4.550 nan 0.000 0.266 275 Y C 0.015 175.776 175.900 -0.233 0.000 1.178 275 Y CA -2.147 55.735 58.100 -0.364 0.000 1.226 275 Y CB -0.543 37.545 38.460 -0.620 0.000 1.144 275 Y HN -0.207 7.570 8.280 -0.677 0.097 0.528 276 G N -0.044 108.709 108.800 -0.079 0.000 2.176 276 G HA2 -0.522 nan 3.960 nan 0.000 0.252 276 G HA3 -0.522 nan 3.960 nan 0.000 0.252 276 G C -0.930 174.004 174.900 0.057 0.000 1.024 276 G CA 0.205 45.306 45.100 0.001 0.000 0.755 276 G HN -0.071 8.064 8.290 -0.158 0.061 0.507 277 D N 0.423 120.838 120.400 0.025 0.000 2.428 277 D HA 0.122 nan 4.640 nan 0.000 0.221 277 D C 0.478 176.878 176.300 0.168 0.000 1.123 277 D CA -1.010 53.082 54.000 0.153 0.000 0.869 277 D CB 0.256 41.181 40.800 0.208 0.000 1.032 277 D HN -0.255 8.065 8.370 -0.084 0.000 0.506 278 T N 1.685 116.386 114.554 0.244 0.000 3.107 278 T HA 0.028 nan 4.350 nan 0.000 0.249 278 T C 0.368 175.274 174.700 0.344 0.000 1.096 278 T CA -0.092 62.183 62.100 0.293 0.000 1.012 278 T CB 0.056 69.136 68.868 0.354 0.000 0.977 278 T HN 0.270 8.676 8.240 0.277 0.000 0.527 279 L N 1.130 122.508 121.223 0.260 0.000 2.265 279 L HA 0.195 nan 4.340 nan 0.000 0.195 279 L C 1.188 178.247 176.870 0.316 0.000 1.083 279 L CA 2.364 57.280 54.840 0.127 0.000 0.798 279 L CB 0.537 42.593 42.059 -0.004 0.000 0.989 279 L HN -0.141 8.443 8.230 0.280 -0.186 0.472 280 T N 2.542 117.267 114.554 0.285 0.000 2.737 280 T HA -0.149 nan 4.350 nan 0.000 0.269 280 T C -1.142 173.715 174.700 0.261 0.000 1.040 280 T CA 6.400 68.665 62.100 0.274 0.000 1.142 280 T CB -2.595 66.343 68.868 0.117 0.000 0.861 280 T HN -0.226 8.475 8.240 0.255 -0.308 0.456 281 P HA -0.123 nan 4.420 nan 0.000 0.222 281 P C 0.869 178.189 177.300 0.034 0.000 1.147 281 P CA 2.418 65.573 63.100 0.092 0.000 0.790 281 P CB -0.377 31.362 31.700 0.066 0.000 0.780 282 F N -1.276 118.589 119.950 -0.142 0.000 2.186 282 F HA -0.314 nan 4.527 nan 0.000 0.299 282 F C 0.894 176.415 175.800 -0.464 0.000 1.090 282 F CA 3.800 61.516 58.000 -0.474 0.000 1.307 282 F CB 0.388 38.814 39.000 -0.957 0.000 1.019 282 F HN -0.169 8.146 8.300 0.233 0.125 0.489 283 F N -2.986 116.968 119.950 0.007 0.000 2.187 283 F HA -0.284 nan 4.527 nan 0.000 0.295 283 F C 1.701 177.457 175.800 -0.074 0.000 1.091 283 F CA 3.576 61.564 58.000 -0.020 0.000 1.308 283 F CB -0.123 38.960 39.000 0.138 0.000 1.030 283 F HN -0.695 7.783 8.300 0.455 0.094 0.487 284 T N -2.659 111.988 114.554 0.154 0.000 2.995 284 T HA -0.224 nan 4.350 nan 0.000 0.269 284 T C 1.704 176.355 174.700 -0.083 0.000 1.091 284 T CA 3.041 65.185 62.100 0.073 0.000 1.128 284 T CB -0.929 68.002 68.868 0.105 0.000 0.891 284 T HN 0.270 8.633 8.240 0.206 0.000 0.492 285 A N 1.651 124.362 122.820 -0.182 0.000 1.940 285 A HA -0.377 nan 4.320 nan 0.000 0.219 285 A C 1.861 179.242 177.584 -0.339 0.000 1.176 285 A CA 3.333 55.213 52.037 -0.261 0.000 0.631 285 A CB -0.986 17.787 19.000 -0.379 0.000 0.814 285 A HN -0.090 7.933 8.150 -0.180 0.019 0.446 286 Q N -1.807 117.718 119.800 -0.457 0.000 2.020 286 Q HA -0.331 nan 4.340 nan 0.000 0.198 286 Q C 2.589 178.075 176.000 -0.856 0.000 0.974 286 Q CA 3.183 58.563 55.803 -0.705 0.000 0.829 286 Q CB -0.063 28.269 28.738 -0.676 0.000 0.894 286 Q HN -0.336 7.572 8.270 -0.443 0.096 0.433 287 S N -0.175 115.262 115.700 -0.439 0.000 2.400 287 S HA -0.364 nan 4.470 nan 0.000 0.232 287 S C 2.486 177.058 174.600 -0.047 0.000 1.025 287 S CA 3.537 61.617 58.200 -0.200 0.000 0.993 287 S CB -0.591 62.615 63.200 0.010 0.000 0.808 287 S HN -0.441 7.704 8.310 -0.276 0.000 0.478 288 Q N 0.318 120.080 119.800 -0.064 0.000 2.187 288 Q HA -0.053 nan 4.340 nan 0.000 0.199 288 Q C 2.734 178.784 176.000 0.084 0.000 0.957 288 Q CA 2.210 58.036 55.803 0.040 0.000 0.857 288 Q CB -0.767 27.964 28.738 -0.011 0.000 0.929 288 Q HN 0.172 8.348 8.270 -0.128 0.017 0.453 289 T N 4.599 119.127 114.554 -0.043 0.000 2.777 289 T HA -0.194 nan 4.350 nan 0.000 0.266 289 T C 2.099 176.913 174.700 0.191 0.000 1.040 289 T CA 5.109 67.222 62.100 0.022 0.000 1.141 289 T CB -0.465 68.363 68.868 -0.067 0.000 0.868 289 T HN -0.241 7.821 8.240 -0.171 0.076 0.444 290 Y N 0.737 121.072 120.300 0.058 0.000 2.242 290 Y HA -0.256 nan 4.550 nan 0.000 0.291 290 Y C 1.686 177.652 175.900 0.111 0.000 1.137 290 Y CA 0.006 58.147 58.100 0.068 0.000 1.181 290 Y CB -1.471 37.033 38.460 0.074 0.000 0.989 290 Y HN 0.187 8.402 8.280 -0.108 0.000 0.527 291 F N 0.788 120.862 119.950 0.206 0.000 2.102 291 F HA -0.508 nan 4.527 nan 0.000 0.298 291 F C 1.733 177.620 175.800 0.145 0.000 1.105 291 F CA 4.126 62.229 58.000 0.171 0.000 1.239 291 F CB 0.301 39.383 39.000 0.137 0.000 0.991 291 F HN 0.223 8.699 8.300 0.410 0.070 0.474 292 Q N -2.437 117.485 119.800 0.205 0.000 2.119 292 Q HA -0.294 nan 4.340 nan 0.000 0.201 292 Q C 2.837 178.835 176.000 -0.003 0.000 0.972 292 Q CA 2.887 58.743 55.803 0.088 0.000 0.847 292 Q CB -0.653 28.176 28.738 0.152 0.000 0.903 292 Q HN -0.280 8.184 8.270 0.323 0.000 0.433 293 T N 3.501 118.077 114.554 0.037 0.000 2.708 293 T HA -0.258 nan 4.350 nan 0.000 0.266 293 T C 2.193 176.884 174.700 -0.015 0.000 1.037 293 T CA 4.952 67.062 62.100 0.018 0.000 1.146 293 T CB -0.439 68.456 68.868 0.045 0.000 0.865 293 T HN 0.077 8.375 8.240 0.096 0.000 0.435 294 T N 4.906 119.429 114.554 -0.052 0.000 2.720 294 T HA -0.303 nan 4.350 nan 0.000 0.268 294 T C 1.409 176.025 174.700 -0.140 0.000 1.037 294 T CA 4.467 66.499 62.100 -0.114 0.000 1.144 294 T CB -0.638 68.123 68.868 -0.179 0.000 0.864 294 T HN 0.041 8.271 8.240 -0.018 0.000 0.444 295 R N 1.564 121.919 120.500 -0.242 0.000 2.091 295 R HA -0.390 nan 4.340 nan 0.000 0.238 295 R C 1.877 178.183 176.300 0.010 0.000 1.136 295 R CA 3.402 59.412 56.100 -0.150 0.000 0.959 295 R CB -0.345 29.803 30.300 -0.254 0.000 0.856 295 R HN 0.091 8.072 8.270 -0.335 0.088 0.437 296 G N -3.107 105.696 108.800 0.005 0.000 2.442 296 G HA2 -0.297 nan 3.960 nan 0.000 0.219 296 G HA3 -0.297 nan 3.960 nan 0.000 0.219 296 G C 0.555 175.528 174.900 0.123 0.000 1.141 296 G CA 1.972 47.105 45.100 0.054 0.000 0.763 296 G HN -0.133 8.141 8.290 -0.027 0.000 0.554 297 A N 1.865 124.766 122.820 0.134 0.000 1.897 297 A HA -0.072 nan 4.320 nan 0.000 0.215 297 A C 2.119 179.873 177.584 0.284 0.000 1.181 297 A CA 2.638 54.828 52.037 0.256 0.000 0.620 297 A CB -0.528 18.608 19.000 0.227 0.000 0.821 297 A HN -0.630 7.556 8.150 0.079 0.011 0.443 298 I N -1.281 119.425 120.570 0.227 0.000 2.226 298 I HA -0.519 nan 4.170 nan 0.000 0.245 298 I C 1.555 177.980 176.117 0.514 0.000 1.100 298 I CA 2.709 64.232 61.300 0.372 0.000 1.374 298 I CB -1.551 36.666 38.000 0.360 0.000 1.057 298 I HN 0.176 8.475 8.210 0.148 0.000 0.413 299 D N -0.030 120.614 120.400 0.407 0.000 2.117 299 D HA -0.384 nan 4.640 nan 0.000 0.197 299 D C 2.144 178.655 176.300 0.353 0.000 0.987 299 D CA 4.435 58.665 54.000 0.385 0.000 0.829 299 D CB -0.020 40.887 40.800 0.179 0.000 0.961 299 D HN 0.186 8.737 8.370 0.301 0.000 0.460 300 D N 0.308 120.891 120.400 0.305 0.000 2.117 300 D HA -0.272 nan 4.640 nan 0.000 0.197 300 D C 1.959 178.463 176.300 0.340 0.000 0.987 300 D CA 3.140 57.330 54.000 0.316 0.000 0.829 300 D CB 0.264 41.239 40.800 0.293 0.000 0.961 300 D HN -0.614 7.847 8.370 0.285 0.080 0.460 301 L N -0.438 120.907 121.223 0.204 0.000 1.994 301 L HA -0.324 nan 4.340 nan 0.000 0.208 301 L C 1.462 178.244 176.870 -0.146 0.000 1.071 301 L CA 3.319 58.084 54.840 -0.125 0.000 0.745 301 L CB -0.264 41.465 42.059 -0.550 0.000 0.892 301 L HN -0.183 8.177 8.230 0.216 0.000 0.431 302 F N -3.708 116.413 119.950 0.285 0.000 2.270 302 F HA -0.193 nan 4.527 nan 0.000 0.295 302 F C 2.163 178.081 175.800 0.196 0.000 1.087 302 F CA 4.552 62.704 58.000 0.253 0.000 1.365 302 F CB -0.364 38.881 39.000 0.408 0.000 1.056 302 F HN -0.071 8.425 8.300 0.328 0.000 0.506 303 V N -0.190 119.964 119.914 0.400 0.000 2.341 303 V HA -0.315 nan 4.120 nan 0.000 0.240 303 V C 1.107 177.329 176.094 0.213 0.000 1.035 303 V CA 3.953 66.425 62.300 0.286 0.000 1.033 303 V CB -0.585 31.412 31.823 0.290 0.000 0.678 303 V HN 0.131 8.589 8.190 0.446 0.000 0.464 304 Y N -0.054 120.327 120.300 0.135 0.000 2.163 304 Y HA -0.428 nan 4.550 nan 0.000 0.288 304 Y C 1.355 177.294 175.900 0.066 0.000 1.136 304 Y CA 4.181 62.337 58.100 0.093 0.000 1.147 304 Y CB 0.103 38.621 38.460 0.097 0.000 0.987 304 Y HN -0.750 7.768 8.280 0.396 0.000 0.509 305 C N -2.196 117.259 119.300 0.258 0.000 2.518 305 C HA -0.126 nan 4.460 nan 0.000 0.279 305 C C 1.943 176.932 174.990 -0.001 0.000 1.279 305 C CA 3.042 62.135 59.018 0.124 0.000 1.703 305 C CB -0.218 27.626 27.740 0.174 0.000 2.072 305 C HN -0.310 8.123 8.230 0.339 0.000 0.487 306 L N -1.087 120.148 121.223 0.021 0.000 2.189 306 L HA -0.082 nan 4.340 nan 0.000 0.199 306 L C 2.510 179.400 176.870 0.032 0.000 1.074 306 L CA 2.681 57.525 54.840 0.006 0.000 0.783 306 L CB -0.107 41.970 42.059 0.029 0.000 0.955 306 L HN -0.311 7.956 8.230 0.062 0.000 0.460 307 A N -1.123 121.730 122.820 0.055 0.000 2.015 307 A HA -0.269 nan 4.320 nan 0.000 0.219 307 A C 0.749 178.340 177.584 0.012 0.000 1.163 307 A CA 2.914 54.972 52.037 0.034 0.000 0.646 307 A CB -0.395 18.635 19.000 0.050 0.000 0.806 307 A HN 0.555 8.656 8.150 0.095 0.107 0.448 308 N N -4.658 114.032 118.700 -0.017 0.000 2.273 308 N HA 0.108 nan 4.740 nan 0.000 0.231 308 N C -1.423 174.024 175.510 -0.105 0.000 1.134 308 N CA -0.680 52.327 53.050 -0.071 0.000 0.856 308 N CB 0.840 39.256 38.487 -0.118 0.000 1.068 308 N HN -0.622 7.728 8.380 -0.010 0.024 0.510 309 D N 1.136 121.501 120.400 -0.058 0.000 2.455 309 D HA -0.007 nan 4.640 nan 0.000 0.241 309 D C 0.688 176.949 176.300 -0.066 0.000 1.138 309 D CA 0.973 54.942 54.000 -0.052 0.000 0.877 309 D CB 1.481 42.295 40.800 0.025 0.000 1.187 309 D HN -0.757 7.432 8.370 -0.021 0.168 0.451 310 S N 5.306 120.951 115.700 -0.091 0.000 2.419 310 S HA -0.227 nan 4.470 nan 0.000 0.233 310 S C 0.918 175.424 174.600 -0.156 0.000 1.016 310 S CA 2.732 60.868 58.200 -0.106 0.000 0.974 310 S CB 0.349 63.492 63.200 -0.095 0.000 0.786 310 S HN 0.469 8.727 8.310 -0.088 0.000 0.492 311 E N 0.896 120.957 120.200 -0.232 0.000 2.290 311 E HA 0.003 nan 4.350 nan 0.000 0.197 311 E C 0.354 176.538 176.600 -0.693 0.000 0.948 311 E CA 0.955 57.052 56.400 -0.505 0.000 0.895 311 E CB 1.414 30.691 29.700 -0.705 0.000 0.865 311 E HN -0.480 7.983 8.360 -0.161 -0.199 0.486 312 F N -2.187 117.725 119.950 -0.064 0.000 2.683 312 F HA 0.331 nan 4.527 nan 0.000 0.306 312 F C 0.857 176.673 175.800 0.027 0.000 1.102 312 F CA -0.699 57.280 58.000 -0.034 0.000 1.244 312 F CB 1.383 40.311 39.000 -0.120 0.000 1.029 312 F HN -0.092 8.483 8.300 -0.078 -0.322 0.545 313 G N 1.187 110.039 108.800 0.086 0.000 2.476 313 G HA2 -0.449 nan 3.960 nan 0.000 0.218 313 G HA3 -0.449 nan 3.960 nan 0.000 0.218 313 G C 0.331 175.273 174.900 0.070 0.000 1.164 313 G CA 2.828 47.965 45.100 0.061 0.000 0.768 313 G HN 0.100 8.393 8.290 0.005 0.000 0.560 314 A N 0.978 123.833 122.820 0.059 0.000 1.898 314 A HA -0.276 nan 4.320 nan 0.000 0.216 314 A C 1.452 179.076 177.584 0.066 0.000 1.181 314 A CA 3.020 55.081 52.037 0.039 0.000 0.620 314 A CB -1.014 17.997 19.000 0.019 0.000 0.819 314 A HN -0.005 8.169 8.150 0.040 0.000 0.442 315 H N 0.117 119.224 119.070 0.062 0.000 2.319 315 H HA -0.328 nan 4.556 nan 0.000 0.299 315 H C 1.784 177.183 175.328 0.118 0.000 1.092 315 H CA 3.758 59.875 56.048 0.116 0.000 1.302 315 H CB -0.088 29.831 29.762 0.261 0.000 1.373 315 H HN -0.070 8.369 8.280 0.265 0.000 0.497 316 N N -0.830 118.015 118.700 0.242 0.000 2.188 316 N HA -0.265 nan 4.740 nan 0.000 0.184 316 N C 2.576 178.030 175.510 -0.094 0.000 1.018 316 N CA 2.836 55.950 53.050 0.106 0.000 0.858 316 N CB -0.597 37.971 38.487 0.135 0.000 0.989 316 N HN 0.061 8.648 8.380 0.345 0.000 0.426 317 R N 0.112 120.567 120.500 -0.075 0.000 2.096 317 R HA -0.280 nan 4.340 nan 0.000 0.235 317 R C 2.255 178.447 176.300 -0.181 0.000 1.127 317 R CA 4.089 60.118 56.100 -0.119 0.000 0.968 317 R CB -0.283 29.988 30.300 -0.049 0.000 0.861 317 R HN 0.280 8.545 8.270 -0.008 0.000 0.440 318 T N 3.133 117.555 114.554 -0.219 0.000 2.652 318 T HA -0.284 nan 4.350 nan 0.000 0.267 318 T C 2.123 176.529 174.700 -0.491 0.000 1.039 318 T CA 5.152 67.050 62.100 -0.337 0.000 1.153 318 T CB -0.692 67.918 68.868 -0.429 0.000 0.863 318 T HN -0.193 7.850 8.240 -0.175 0.092 0.428 319 F N 0.724 120.347 119.950 -0.544 0.000 2.146 319 F HA -0.224 nan 4.527 nan 0.000 0.298 319 F C 1.645 176.705 175.800 -1.232 0.000 1.096 319 F CA 3.875 61.334 58.000 -0.902 0.000 1.275 319 F CB -0.320 38.049 39.000 -1.052 0.000 1.008 319 F HN -0.754 7.306 8.300 -0.399 0.000 0.480 320 L N -1.152 119.611 121.223 -0.766 0.000 2.083 320 L HA -0.568 nan 4.340 nan 0.000 0.209 320 L C 2.137 178.822 176.870 -0.309 0.000 1.083 320 L CA 3.483 57.875 54.840 -0.746 0.000 0.752 320 L CB -0.749 40.871 42.059 -0.731 0.000 0.899 320 L HN 0.590 8.488 8.230 -0.554 0.000 0.433 321 N N -0.713 117.894 118.700 -0.155 0.000 2.142 321 N HA -0.302 nan 4.740 nan 0.000 0.186 321 N C 1.947 177.561 175.510 0.174 0.000 1.023 321 N CA 3.817 56.949 53.050 0.137 0.000 0.852 321 N CB -0.005 38.576 38.487 0.157 0.000 0.998 321 N HN 0.287 8.411 8.380 -0.231 0.117 0.424 322 A N 0.924 123.739 122.820 -0.008 0.000 1.877 322 A HA -0.206 nan 4.320 nan 0.000 0.216 322 A C 2.112 179.869 177.584 0.288 0.000 1.186 322 A CA 3.242 55.326 52.037 0.079 0.000 0.620 322 A CB -0.741 18.226 19.000 -0.056 0.000 0.822 322 A HN -0.135 7.908 8.150 -0.179 0.000 0.443 323 W N -3.379 118.065 121.300 0.241 0.000 2.381 323 W HA -0.200 nan 4.660 nan 0.000 0.301 323 W C 2.495 179.303 176.519 0.482 0.000 1.205 323 W CA 1.114 58.701 57.345 0.403 0.000 1.285 323 W CB -1.293 28.448 29.460 0.470 0.000 1.133 323 W HN 0.257 8.390 8.180 -0.078 0.000 0.521 324 T N 2.295 117.200 114.554 0.585 0.000 2.720 324 T HA -0.428 nan 4.350 nan 0.000 0.268 324 T C 1.980 176.769 174.700 0.149 0.000 1.037 324 T CA 5.369 67.674 62.100 0.342 0.000 1.144 324 T CB -0.628 68.222 68.868 -0.030 0.000 0.864 324 T HN 0.047 8.561 8.240 0.457 0.000 0.444 325 E N 1.325 121.691 120.200 0.276 0.000 2.058 325 E HA -0.361 nan 4.350 nan 0.000 0.194 325 E C 1.837 178.578 176.600 0.234 0.000 0.997 325 E CA 3.133 59.769 56.400 0.393 0.000 0.801 325 E CB -0.196 29.760 29.700 0.426 0.000 0.746 325 E HN -0.243 8.319 8.360 0.337 0.000 0.450 326 H N 0.658 119.796 119.070 0.113 0.000 2.270 326 H HA -0.277 nan 4.556 nan 0.000 0.299 326 H C 2.600 177.846 175.328 -0.137 0.000 1.077 326 H CA 3.836 59.840 56.048 -0.073 0.000 1.294 326 H CB 0.223 29.846 29.762 -0.232 0.000 1.371 326 H HN -0.681 7.807 8.280 0.346 0.000 0.491 327 Y N -2.303 117.993 120.300 -0.006 0.000 2.314 327 Y HA -0.279 nan 4.550 nan 0.000 0.293 327 Y C 2.231 178.085 175.900 -0.077 0.000 1.129 327 Y CA 3.555 61.604 58.100 -0.085 0.000 1.201 327 Y CB -0.345 38.145 38.460 0.051 0.000 0.999 327 Y HN 0.080 8.466 8.280 0.176 0.000 0.541 328 L N 0.191 121.456 121.223 0.069 0.000 2.046 328 L HA -0.416 nan 4.340 nan 0.000 0.208 328 L C 1.483 178.353 176.870 -0.000 0.000 1.077 328 L CA 2.618 57.441 54.840 -0.028 0.000 0.747 328 L CB -0.686 41.344 42.059 -0.048 0.000 0.896 328 L HN 0.445 8.642 8.230 0.123 0.107 0.432 329 A N -1.477 121.337 122.820 -0.010 0.000 1.908 329 A HA -0.385 nan 4.320 nan 0.000 0.218 329 A C 2.211 179.767 177.584 -0.047 0.000 1.181 329 A CA 3.460 55.482 52.037 -0.024 0.000 0.627 329 A CB -1.160 17.816 19.000 -0.040 0.000 0.818 329 A HN -0.259 7.891 8.150 -0.000 0.000 0.445 330 S N -0.933 114.699 115.700 -0.113 0.000 2.368 330 S HA -0.320 nan 4.470 nan 0.000 0.225 330 S C 2.530 177.150 174.600 0.032 0.000 1.030 330 S CA 3.798 61.954 58.200 -0.073 0.000 0.999 330 S CB -0.450 62.682 63.200 -0.114 0.000 0.844 330 S HN -0.356 7.830 8.310 -0.206 0.000 0.459 331 S N 2.948 118.697 115.700 0.081 0.000 2.368 331 S HA -0.209 nan 4.470 nan 0.000 0.224 331 S C 2.154 176.838 174.600 0.140 0.000 1.029 331 S CA 3.796 62.085 58.200 0.148 0.000 0.988 331 S CB -0.159 63.098 63.200 0.096 0.000 0.838 331 S HN -0.113 8.149 8.310 0.053 0.080 0.462 332 V N 2.080 122.062 119.914 0.113 0.000 2.295 332 V HA -0.454 nan 4.120 nan 0.000 0.246 332 V C 1.567 177.722 176.094 0.102 0.000 1.049 332 V CA 4.593 66.974 62.300 0.134 0.000 1.024 332 V CB -1.090 30.769 31.823 0.060 0.000 0.648 332 V HN 0.454 8.582 8.190 0.074 0.106 0.447 333 A N -1.772 121.085 122.820 0.063 0.000 1.908 333 A HA -0.393 nan 4.320 nan 0.000 0.218 333 A C 1.717 179.348 177.584 0.078 0.000 1.181 333 A CA 3.478 55.545 52.037 0.051 0.000 0.627 333 A CB -0.926 18.084 19.000 0.017 0.000 0.818 333 A HN 0.112 8.288 8.150 0.043 0.000 0.445 334 A N -1.672 121.203 122.820 0.092 0.000 1.902 334 A HA -0.264 nan 4.320 nan 0.000 0.217 334 A C 2.238 179.986 177.584 0.273 0.000 1.181 334 A CA 2.897 54.997 52.037 0.105 0.000 0.623 334 A CB -0.765 18.233 19.000 -0.003 0.000 0.818 334 A HN -0.187 7.944 8.150 0.084 0.069 0.443 335 L N -1.991 119.404 121.223 0.287 0.000 2.141 335 L HA -0.417 nan 4.340 nan 0.000 0.209 335 L C 1.786 178.763 176.870 0.178 0.000 1.094 335 L CA 2.592 57.578 54.840 0.244 0.000 0.763 335 L CB -0.273 41.831 42.059 0.074 0.000 0.908 335 L HN -0.015 8.269 8.230 0.228 0.083 0.437 336 K N -0.149 120.333 120.400 0.137 0.000 2.063 336 K HA -0.425 nan 4.320 nan 0.000 0.208 336 K C 1.870 178.534 176.600 0.107 0.000 1.048 336 K CA 3.643 59.991 56.287 0.102 0.000 0.928 336 K CB -0.313 32.230 32.500 0.072 0.000 0.713 336 K HN 0.224 8.456 8.250 0.133 0.099 0.442 337 D N -2.184 118.288 120.400 0.120 0.000 2.123 337 D HA -0.153 nan 4.640 nan 0.000 0.200 337 D C 2.538 178.898 176.300 0.100 0.000 0.976 337 D CA 2.857 56.913 54.000 0.093 0.000 0.831 337 D CB 0.125 40.979 40.800 0.090 0.000 0.974 337 D HN -0.514 7.935 8.370 0.130 0.000 0.469 338 F N 1.919 121.896 119.950 0.045 0.000 2.171 338 F HA -0.276 nan 4.527 nan 0.000 0.300 338 F C 1.716 177.493 175.800 -0.039 0.000 1.090 338 F CA 3.108 61.099 58.000 -0.015 0.000 1.293 338 F CB 0.495 39.589 39.000 0.156 0.000 1.013 338 F HN -0.335 8.113 8.300 0.371 0.075 0.486 339 V N -5.623 114.352 119.914 0.102 0.000 3.186 339 V HA -0.185 nan 4.120 nan 0.000 0.270 339 V C 1.859 178.033 176.094 0.133 0.000 1.149 339 V CA 1.419 63.857 62.300 0.230 0.000 1.160 339 V CB -2.452 29.580 31.823 0.348 0.000 0.758 339 V HN 0.157 8.461 8.190 0.191 0.000 0.516 340 G N 0.175 108.936 108.800 -0.065 0.000 2.559 340 G HA2 -0.209 nan 3.960 nan 0.000 0.216 340 G HA3 -0.209 nan 3.960 nan 0.000 0.216 340 G C 0.706 175.475 174.900 -0.218 0.000 1.126 340 G CA 1.595 46.629 45.100 -0.110 0.000 0.778 340 G HN -0.303 7.769 8.290 -0.078 0.170 0.543 341 L N 1.843 122.805 121.223 -0.435 0.000 2.217 341 L HA -0.149 nan 4.340 nan 0.000 0.211 341 L C 1.137 177.828 176.870 -0.297 0.000 1.107 341 L CA 1.422 55.887 54.840 -0.624 0.000 0.783 341 L CB -0.314 40.977 42.059 -1.279 0.000 0.919 341 L HN -0.147 7.590 8.230 -0.539 0.170 0.442 342 Y N -1.681 118.594 120.300 -0.042 0.000 2.403 342 Y HA -0.400 nan 4.550 nan 0.000 0.291 342 Y C 1.678 177.587 175.900 0.015 0.000 1.143 342 Y CA 3.512 61.696 58.100 0.141 0.000 1.257 342 Y CB -1.062 37.589 38.460 0.317 0.000 0.984 342 Y HN -0.268 7.938 8.280 0.098 0.133 0.550 343 A N -2.113 120.722 122.820 0.025 0.000 2.119 343 A HA -0.123 nan 4.320 nan 0.000 0.217 343 A C 0.527 178.117 177.584 0.010 0.000 1.153 343 A CA 2.110 54.127 52.037 -0.033 0.000 0.692 343 A CB -0.715 18.228 19.000 -0.095 0.000 0.799 343 A HN -0.458 7.641 8.150 -0.026 0.034 0.458 344 K N -3.810 116.599 120.400 0.016 0.000 2.374 344 K HA 0.156 nan 4.320 nan 0.000 0.196 344 K C -1.280 175.442 176.600 0.204 0.000 1.023 344 K CA -0.355 55.981 56.287 0.082 0.000 1.103 344 K CB 0.417 32.932 32.500 0.026 0.000 0.848 344 K HN -0.182 7.892 8.250 -0.027 0.161 0.528 345 V N -6.561 113.467 119.914 0.190 0.000 2.881 345 V HA 0.340 nan 4.120 nan 0.000 0.316 345 V C -1.326 174.868 176.094 0.167 0.000 1.070 345 V CA -3.101 59.339 62.300 0.232 0.000 0.976 345 V CB 1.606 33.606 31.823 0.295 0.000 1.038 345 V HN -0.684 7.448 8.190 0.167 0.159 0.446 346 E N 2.290 122.570 120.200 0.133 0.000 2.415 346 E HA -0.128 nan 4.350 nan 0.000 0.263 346 E C -0.105 176.621 176.600 0.210 0.000 0.995 346 E CA 0.125 56.605 56.400 0.132 0.000 0.915 346 E CB 0.924 30.709 29.700 0.142 0.000 0.951 346 E HN 0.139 8.549 8.360 0.084 0.000 0.449 347 K N 3.910 124.393 120.400 0.139 0.000 2.448 347 K HA 0.065 nan 4.320 nan 0.000 0.278 347 K C -1.083 175.577 176.600 0.100 0.000 1.009 347 K CA 1.008 57.374 56.287 0.131 0.000 0.995 347 K CB 0.286 32.842 32.500 0.093 0.000 0.917 347 K HN 0.115 8.423 8.250 0.096 0.000 0.481 348 V N 6.560 126.517 119.914 0.072 0.000 2.559 348 V HA 0.123 nan 4.120 nan 0.000 0.289 348 V C -1.378 174.709 176.094 -0.012 0.000 1.036 348 V CA -0.463 61.839 62.300 0.004 0.000 0.887 348 V CB 3.202 34.981 31.823 -0.073 0.000 1.022 348 V HN 0.204 8.449 8.190 0.092 0.000 0.442 349 A N 6.687 129.498 122.820 -0.014 0.000 2.565 349 A HA -0.132 nan 4.320 nan 0.000 0.237 349 A C 0.923 178.482 177.584 -0.042 0.000 1.053 349 A CA 1.550 53.575 52.037 -0.021 0.000 0.755 349 A CB -0.035 18.954 19.000 -0.018 0.000 0.980 349 A HN 0.319 8.463 8.150 -0.009 0.000 0.506 350 G N 1.790 110.563 108.800 -0.045 0.000 2.245 350 G HA2 -0.406 nan 3.960 nan 0.000 0.264 350 G HA3 -0.406 nan 3.960 nan 0.000 0.264 350 G C -0.566 174.292 174.900 -0.069 0.000 0.985 350 G CA 1.262 46.328 45.100 -0.056 0.000 0.625 350 G HN -0.200 8.443 8.290 -0.041 -0.377 0.536 351 A N 0.211 122.990 122.820 -0.069 0.000 2.008 351 A HA 0.441 nan 4.320 nan 0.000 0.201 351 A C -0.261 177.313 177.584 -0.016 0.000 1.794 351 A CA 1.637 53.629 52.037 -0.075 0.000 0.952 351 A CB 0.755 19.672 19.000 -0.137 0.000 1.147 351 A HN -0.070 7.946 8.150 -0.056 0.100 0.589 352 T N -6.117 108.463 114.554 0.043 0.000 3.054 352 T HA 0.310 nan 4.350 nan 0.000 0.255 352 T C -0.343 174.420 174.700 0.104 0.000 1.035 352 T CA -0.830 61.376 62.100 0.177 0.000 0.941 352 T CB 0.100 69.180 68.868 0.353 0.000 1.026 352 T HN -0.159 8.094 8.240 0.022 0.000 0.533 353 D N 0.757 121.165 120.400 0.013 0.000 2.423 353 D HA 0.174 nan 4.640 nan 0.000 0.255 353 D C 0.747 176.925 176.300 -0.202 0.000 1.174 353 D CA -1.196 52.817 54.000 0.022 0.000 1.008 353 D CB 0.721 41.532 40.800 0.020 0.000 1.101 353 D HN -0.763 7.535 8.370 -0.017 0.061 0.516 354 S N 0.613 116.176 115.700 -0.228 0.000 2.374 354 S HA -0.408 nan 4.470 nan 0.000 0.227 354 S C 1.373 175.778 174.600 -0.325 0.000 1.037 354 S CA 3.966 61.871 58.200 -0.492 0.000 1.024 354 S CB -0.408 62.669 63.200 -0.206 0.000 0.861 354 S HN 0.593 8.891 8.310 -0.020 0.000 0.456 355 A N 0.067 122.784 122.820 -0.172 0.000 1.930 355 A HA -0.145 nan 4.320 nan 0.000 0.217 355 A C 2.151 179.664 177.584 -0.119 0.000 1.175 355 A CA 2.351 54.318 52.037 -0.116 0.000 0.627 355 A CB -0.844 18.115 19.000 -0.068 0.000 0.815 355 A HN 0.018 8.089 8.150 -0.124 0.004 0.443 356 G N -1.044 107.675 108.800 -0.134 0.000 2.433 356 G HA2 -0.323 nan 3.960 nan 0.000 0.216 356 G HA3 -0.323 nan 3.960 nan 0.000 0.216 356 G C 1.180 176.004 174.900 -0.126 0.000 1.186 356 G CA 2.016 47.048 45.100 -0.112 0.000 0.779 356 G HN -0.209 8.169 8.290 -0.142 -0.173 0.543 357 V N 2.323 122.081 119.914 -0.260 0.000 2.343 357 V HA -0.420 nan 4.120 nan 0.000 0.247 357 V C 1.830 177.872 176.094 -0.086 0.000 1.051 357 V CA 4.035 66.188 62.300 -0.244 0.000 1.036 357 V CB -0.859 30.578 31.823 -0.643 0.000 0.654 357 V HN 0.254 8.228 8.190 -0.360 0.000 0.451 358 S N -0.715 114.896 115.700 -0.148 0.000 2.368 358 S HA -0.443 nan 4.470 nan 0.000 0.225 358 S C 2.125 176.738 174.600 0.023 0.000 1.030 358 S CA 3.792 61.958 58.200 -0.058 0.000 0.999 358 S CB -0.370 62.778 63.200 -0.087 0.000 0.844 358 S HN 0.097 8.264 8.310 -0.237 0.000 0.459 359 E N 1.180 121.383 120.200 0.005 0.000 2.107 359 E HA -0.275 nan 4.350 nan 0.000 0.191 359 E C 2.191 178.834 176.600 0.072 0.000 0.982 359 E CA 2.675 59.095 56.400 0.032 0.000 0.809 359 E CB -0.035 29.667 29.700 0.003 0.000 0.756 359 E HN -0.529 7.727 8.360 -0.034 0.084 0.459 360 A N 0.382 123.255 122.820 0.088 0.000 1.908 360 A HA -0.240 nan 4.320 nan 0.000 0.218 360 A C 2.093 179.840 177.584 0.271 0.000 1.181 360 A CA 3.235 55.353 52.037 0.135 0.000 0.627 360 A CB -0.707 18.379 19.000 0.144 0.000 0.818 360 A HN 0.061 8.244 8.150 0.055 0.000 0.445 361 L N -2.686 118.731 121.223 0.322 0.000 2.093 361 L HA -0.439 nan 4.340 nan 0.000 0.208 361 L C 2.530 179.596 176.870 0.327 0.000 1.085 361 L CA 3.026 58.064 54.840 0.329 0.000 0.755 361 L CB -0.483 41.746 42.059 0.283 0.000 0.904 361 L HN 0.285 8.597 8.230 0.262 0.076 0.435 362 Q N -1.681 118.259 119.800 0.233 0.000 2.124 362 Q HA -0.330 nan 4.340 nan 0.000 0.202 362 Q C 3.071 179.191 176.000 0.201 0.000 0.977 362 Q CA 3.159 59.093 55.803 0.218 0.000 0.850 362 Q CB -0.576 28.242 28.738 0.134 0.000 0.901 362 Q HN -0.123 8.176 8.270 0.178 0.078 0.429 363 R N 0.089 120.678 120.500 0.149 0.000 2.070 363 R HA -0.297 nan 4.340 nan 0.000 0.233 363 R C 2.466 178.837 176.300 0.119 0.000 1.137 363 R CA 3.695 59.862 56.100 0.112 0.000 0.945 363 R CB -0.042 30.296 30.300 0.063 0.000 0.845 363 R HN -0.134 8.211 8.270 0.139 0.007 0.430 364 V N 0.182 120.147 119.914 0.086 0.000 2.255 364 V HA -0.391 nan 4.120 nan 0.000 0.247 364 V C 2.247 178.339 176.094 -0.005 0.000 1.051 364 V CA 4.671 66.958 62.300 -0.021 0.000 1.018 364 V CB -0.677 31.073 31.823 -0.122 0.000 0.641 364 V HN -0.107 8.152 8.190 0.115 0.000 0.445 365 F N -2.185 117.891 119.950 0.209 0.000 2.259 365 F HA -0.179 nan 4.527 nan 0.000 0.298 365 F C 2.231 178.227 175.800 0.326 0.000 1.088 365 F CA 3.607 61.772 58.000 0.274 0.000 1.358 365 F CB -0.817 38.299 39.000 0.193 0.000 1.040 365 F HN 0.263 8.652 8.300 0.148 0.000 0.505 366 G N -0.479 108.553 108.800 0.386 0.000 2.402 366 G HA2 -0.358 nan 3.960 nan 0.000 0.216 366 G HA3 -0.358 nan 3.960 nan 0.000 0.216 366 G C 0.970 176.018 174.900 0.247 0.000 1.162 366 G CA 1.901 47.170 45.100 0.282 0.000 0.777 366 G HN 0.254 8.633 8.290 0.337 0.114 0.539 367 D N 2.491 123.028 120.400 0.227 0.000 2.117 367 D HA -0.163 nan 4.640 nan 0.000 0.197 367 D C 1.726 178.178 176.300 0.254 0.000 0.987 367 D CA 2.802 56.918 54.000 0.194 0.000 0.829 367 D CB -0.326 40.573 40.800 0.164 0.000 0.961 367 D HN 0.261 8.647 8.370 0.215 0.114 0.460 368 W N 0.631 122.035 121.300 0.173 0.000 2.342 368 W HA -0.424 nan 4.660 nan 0.000 0.297 368 W C 1.459 178.146 176.519 0.281 0.000 1.213 368 W CA 4.062 61.555 57.345 0.247 0.000 1.251 368 W CB 0.295 29.889 29.460 0.222 0.000 1.136 368 W HN -0.129 8.333 8.180 0.469 0.000 0.526 369 K N -0.420 120.147 120.400 0.278 0.000 2.057 369 K HA -0.407 nan 4.320 nan 0.000 0.207 369 K C 2.285 178.876 176.600 -0.015 0.000 1.049 369 K CA 3.593 59.933 56.287 0.089 0.000 0.931 369 K CB -0.205 32.444 32.500 0.248 0.000 0.714 369 K HN -0.288 8.233 8.250 0.466 0.008 0.440 370 I N -1.957 118.636 120.570 0.038 0.000 2.233 370 I HA -0.339 nan 4.170 nan 0.000 0.243 370 I C 1.838 177.926 176.117 -0.048 0.000 1.093 370 I CA 2.189 63.498 61.300 0.016 0.000 1.380 370 I CB -1.037 36.989 38.000 0.043 0.000 1.067 370 I HN -0.629 7.641 8.210 0.099 0.000 0.413 371 D N -1.899 118.448 120.400 -0.088 0.000 2.178 371 D HA -0.141 nan 4.640 nan 0.000 0.202 371 D C 2.096 178.117 176.300 -0.465 0.000 0.974 371 D CA 3.336 57.186 54.000 -0.250 0.000 0.841 371 D CB 0.693 41.354 40.800 -0.233 0.000 0.953 371 D HN 0.226 8.581 8.370 -0.025 0.000 0.478 372 Y N -1.934 118.225 120.300 -0.235 0.000 2.921 372 Y HA 0.005 nan 4.550 nan 0.000 0.246 372 Y C 0.900 176.659 175.900 -0.234 0.000 1.030 372 Y CA 1.933 59.890 58.100 -0.239 0.000 1.338 372 Y CB 1.247 39.420 38.460 -0.479 0.000 1.493 372 Y HN -0.141 7.968 8.280 -0.285 0.000 0.452 373 A N 0.454 123.018 122.820 -0.426 0.000 1.892 373 A HA -0.427 nan 4.320 nan 0.000 0.218 373 A C 2.118 179.737 177.584 0.060 0.000 1.188 373 A CA 3.334 55.262 52.037 -0.181 0.000 0.631 373 A CB -0.760 18.092 19.000 -0.247 0.000 0.822 373 A HN -0.517 7.099 8.150 -0.891 0.000 0.447 374 D N -2.292 118.123 120.400 0.025 0.000 2.218 374 D HA -0.182 nan 4.640 nan 0.000 0.204 374 D C 2.082 178.428 176.300 0.075 0.000 0.976 374 D CA 2.402 56.440 54.000 0.062 0.000 0.853 374 D CB -0.336 40.490 40.800 0.043 0.000 0.939 374 D HN 0.225 8.472 8.370 -0.035 0.102 0.481 375 K N -3.577 116.874 120.400 0.085 0.000 2.148 375 K HA -0.168 nan 4.320 nan 0.000 0.204 375 K C 0.943 177.616 176.600 0.122 0.000 1.050 375 K CA 2.235 58.587 56.287 0.109 0.000 0.942 375 K CB 0.690 33.272 32.500 0.137 0.000 0.724 375 K HN -0.437 7.734 8.250 0.068 0.120 0.446 376 I N -9.040 111.617 120.570 0.145 0.000 4.018 376 I HA 0.188 nan 4.170 nan 0.000 0.337 376 I C 0.006 176.191 176.117 0.113 0.000 1.327 376 I CA -0.727 60.638 61.300 0.108 0.000 1.100 376 I CB 0.655 38.698 38.000 0.072 0.000 1.025 376 I HN -0.767 7.426 8.210 0.169 0.119 0.396 377 G N -0.519 108.357 108.800 0.127 0.000 2.160 377 G HA2 -0.375 nan 3.960 nan 0.000 0.244 377 G HA3 -0.375 nan 3.960 nan 0.000 0.244 377 G C -1.153 173.845 174.900 0.162 0.000 1.022 377 G CA 0.241 45.406 45.100 0.109 0.000 0.741 377 G HN -0.582 7.616 8.290 0.125 0.167 0.508 378 F N 1.051 121.043 119.950 0.070 0.000 2.404 378 F HA 0.045 nan 4.527 nan 0.000 0.358 378 F C -1.262 174.606 175.800 0.113 0.000 1.120 378 F CA -1.023 57.044 58.000 0.111 0.000 1.144 378 F CB 1.010 40.124 39.000 0.190 0.000 1.133 378 F HN -0.540 7.959 8.300 0.332 0.000 0.495 379 R N 7.124 127.419 120.500 -0.342 0.000 2.389 379 R HA 0.063 nan 4.340 nan 0.000 0.295 379 R C -1.522 174.604 176.300 -0.289 0.000 1.075 379 R CA -0.107 55.857 56.100 -0.226 0.000 1.005 379 R CB 0.557 30.735 30.300 -0.203 0.000 0.987 379 R HN 0.214 8.212 8.270 -0.452 0.000 0.452 380 V N 3.390 123.317 119.914 0.020 0.000 2.851 380 V HA 0.118 nan 4.120 nan 0.000 0.307 380 V C -1.710 174.460 176.094 0.126 0.000 1.129 380 V CA -0.957 61.440 62.300 0.161 0.000 0.932 380 V CB 3.252 35.405 31.823 0.549 0.000 1.024 380 V HN 0.106 8.335 8.190 0.065 0.000 0.426 381 D N 7.643 128.090 120.400 0.079 0.000 2.443 381 D HA 0.168 nan 4.640 nan 0.000 0.221 381 D C 0.484 176.806 176.300 0.037 0.000 1.097 381 D CA -0.927 53.101 54.000 0.046 0.000 0.865 381 D CB 0.694 41.499 40.800 0.009 0.000 1.034 381 D HN 0.131 8.542 8.370 0.068 0.000 0.511 382 V N 5.054 125.014 119.914 0.077 0.000 2.332 382 V HA -0.424 nan 4.120 nan 0.000 0.248 382 V C 1.506 177.592 176.094 -0.014 0.000 1.055 382 V CA 3.424 65.764 62.300 0.067 0.000 1.038 382 V CB -0.110 31.815 31.823 0.170 0.000 0.651 382 V HN 0.552 8.805 8.190 0.105 0.000 0.450 383 D N -1.749 118.655 120.400 0.008 0.000 2.144 383 D HA -0.298 nan 4.640 nan 0.000 0.199 383 D C 2.450 178.722 176.300 -0.047 0.000 0.984 383 D CA 3.757 57.751 54.000 -0.009 0.000 0.834 383 D CB -0.648 40.156 40.800 0.006 0.000 0.955 383 D HN -0.066 8.394 8.370 0.028 -0.073 0.465 384 Q N -0.752 119.014 119.800 -0.057 0.000 2.079 384 Q HA -0.303 nan 4.340 nan 0.000 0.200 384 Q C 2.532 178.449 176.000 -0.138 0.000 0.974 384 Q CA 3.111 58.871 55.803 -0.072 0.000 0.840 384 Q CB -0.003 28.704 28.738 -0.052 0.000 0.898 384 Q HN -0.682 7.747 8.270 -0.039 -0.183 0.430 385 K N -0.612 119.634 120.400 -0.257 0.000 2.097 385 K HA -0.179 nan 4.320 nan 0.000 0.205 385 K C 2.532 178.864 176.600 -0.448 0.000 1.050 385 K CA 2.154 58.133 56.287 -0.513 0.000 0.938 385 K CB -0.660 31.169 32.500 -1.118 0.000 0.718 385 K HN -0.582 7.532 8.250 -0.226 0.000 0.442 386 V N 1.053 120.802 119.914 -0.275 0.000 2.295 386 V HA -0.427 nan 4.120 nan 0.000 0.246 386 V C 2.052 178.121 176.094 -0.041 0.000 1.049 386 V CA 4.677 66.942 62.300 -0.058 0.000 1.024 386 V CB -0.987 30.851 31.823 0.025 0.000 0.648 386 V HN 0.249 8.292 8.190 -0.244 0.000 0.447 387 D N -0.706 119.663 120.400 -0.053 0.000 2.117 387 D HA -0.281 nan 4.640 nan 0.000 0.197 387 D C 2.093 178.379 176.300 -0.024 0.000 0.987 387 D CA 3.475 57.458 54.000 -0.029 0.000 0.829 387 D CB -0.705 40.080 40.800 -0.026 0.000 0.961 387 D HN -0.169 8.161 8.370 -0.068 0.000 0.460 388 A N -0.709 122.081 122.820 -0.049 0.000 1.917 388 A HA -0.219 nan 4.320 nan 0.000 0.219 388 A C 1.945 179.526 177.584 -0.004 0.000 1.182 388 A CA 3.074 55.091 52.037 -0.033 0.000 0.633 388 A CB -0.353 18.609 19.000 -0.063 0.000 0.819 388 A HN -0.083 8.018 8.150 -0.082 0.000 0.448 389 V N -2.182 117.733 119.914 0.001 0.000 2.488 389 V HA -0.192 nan 4.120 nan 0.000 0.246 389 V C 2.270 178.395 176.094 0.053 0.000 1.046 389 V CA 3.446 65.772 62.300 0.043 0.000 1.053 389 V CB -0.141 31.724 31.823 0.071 0.000 0.679 389 V HN -0.629 7.543 8.190 -0.030 0.000 0.458 390 L N -0.490 120.754 121.223 0.035 0.000 2.261 390 L HA -0.380 nan 4.340 nan 0.000 0.216 390 L C 2.174 179.101 176.870 0.095 0.000 1.114 390 L CA 2.884 57.755 54.840 0.050 0.000 0.777 390 L CB -1.069 40.986 42.059 -0.005 0.000 0.910 390 L HN 0.426 8.491 8.230 0.015 0.173 0.440 391 A N -0.893 121.963 122.820 0.061 0.000 2.070 391 A HA -0.169 nan 4.320 nan 0.000 0.220 391 A C 1.487 179.114 177.584 0.071 0.000 1.159 391 A CA 2.237 54.309 52.037 0.058 0.000 0.656 391 A CB -0.683 18.338 19.000 0.034 0.000 0.800 391 A HN -0.124 8.022 8.150 0.040 0.028 0.453 392 G N -2.356 106.497 108.800 0.088 0.000 3.042 392 G HA2 0.015 nan 3.960 nan 0.000 0.212 392 G HA3 0.015 nan 3.960 nan 0.000 0.212 392 G C -0.546 174.420 174.900 0.110 0.000 1.166 392 G CA -0.474 44.675 45.100 0.081 0.000 0.767 392 G HN -0.322 7.862 8.290 0.091 0.161 0.546 393 Y N 0.000 120.311 120.300 0.018 0.000 2.660 393 Y HA 0.000 nan 4.550 nan 0.000 0.201 393 Y CA 0.000 58.113 58.100 0.021 0.000 1.940 393 Y CB 0.000 38.456 38.460 -0.007 0.000 1.050 393 Y HN 0.000 8.214 8.280 0.232 0.205 0.758