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 2voz_1_A DATA FIRST_RESID 34 DATA SEQUENCE RTINLYSSRH YNTDDALYDA FGEVNLIEAS AEELIERIQS EGANSPGDIL DATA SEQUENCE FTVDAGMLWR AEQAGLFQPV RSGKLNERIP ENLRHPDGLW YGFTQRARVL DATA SEQUENCE YYSRDRVNPA DLSTYEALAD PQWRGKILVR PSSNVYNLSL TASRIAIHGE DATA SEQUENCE PETRRWLQGL VGNFARQPEG NDTAQIRAIA AGIGDVAIAN SYYYIRLQKS DATA SEQUENCE TDPADQEVVE KVSLFFPNTG SGERGTHVNV SGAGVLKNAP NRDAAIAFLE DATA SEQUENCE YLASDDAQRY FAEGNNEYPV IPGVPIDPVL AAHGQLKGDP LNVSNLGRYQ DATA SEQUENCE PDSARLMNEV GWQ 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 34 R HA 0.000 nan 4.340 nan 0.000 0.208 34 R C 0.000 176.208 176.300 -0.154 0.000 0.893 34 R CA 0.000 55.931 56.100 -0.282 0.000 0.921 34 R CB 0.000 29.824 30.300 -0.794 0.000 0.687 35 T N 3.532 118.069 114.554 -0.028 0.000 2.886 35 T HA 0.822 5.172 4.350 0.000 0.000 0.292 35 T C -0.463 174.259 174.700 0.037 0.000 1.012 35 T CA -0.652 61.453 62.100 0.008 0.000 0.982 35 T CB 0.838 69.697 68.868 -0.016 0.000 1.018 35 T HN 0.535 nan 8.240 nan 0.000 0.451 36 I N 1.527 122.099 120.570 0.005 0.000 2.994 36 I HA 0.679 4.849 4.170 0.000 0.000 0.306 36 I C -1.159 174.901 176.117 -0.095 0.000 1.195 36 I CA -1.223 60.042 61.300 -0.058 0.000 1.001 36 I CB 2.477 40.388 38.000 -0.149 0.000 1.244 36 I HN 0.353 nan 8.210 nan 0.000 0.437 37 N N 3.977 122.638 118.700 -0.064 0.000 2.457 37 N HA 0.440 5.180 4.740 0.000 0.000 0.250 37 N C -1.311 174.198 175.510 -0.003 0.000 0.982 37 N CA -0.271 52.777 53.050 -0.002 0.000 0.941 37 N CB 2.018 40.551 38.487 0.076 0.000 1.120 37 N HN 0.577 nan 8.380 nan 0.000 0.505 38 L N 4.122 125.326 121.223 -0.032 0.000 2.280 38 L HA 0.410 4.750 4.340 0.000 0.000 0.287 38 L C -1.382 175.620 176.870 0.220 0.000 1.023 38 L CA -0.592 54.228 54.840 -0.033 0.000 0.819 38 L CB 0.150 42.013 42.059 -0.327 0.000 1.212 38 L HN 0.300 nan 8.230 nan 0.000 0.420 39 Y N 3.537 123.840 120.300 0.005 0.000 2.350 39 Y HA 0.606 5.158 4.550 0.003 0.000 0.340 39 Y C 0.485 176.463 175.900 0.129 0.000 1.006 39 Y CA -0.538 57.590 58.100 0.047 0.000 1.166 39 Y CB 1.538 40.025 38.460 0.045 0.000 1.168 39 Y HN 0.657 nan 8.280 nan 0.000 0.502 40 S N 0.967 116.819 115.700 0.252 0.000 2.547 40 S HA 0.366 4.836 4.470 0.000 0.000 0.281 40 S C 0.412 175.160 174.600 0.246 0.000 1.118 40 S CA -0.323 58.067 58.200 0.318 0.000 0.947 40 S CB 0.895 64.269 63.200 0.291 0.000 1.053 40 S HN 0.637 nan 8.310 nan 0.000 0.482 41 S N 3.353 119.232 115.700 0.298 0.000 2.575 41 S HA 0.225 4.695 4.470 0.000 0.000 0.215 41 S C 0.650 175.377 174.600 0.212 0.000 0.966 41 S CA -0.328 57.998 58.200 0.210 0.000 0.911 41 S CB -0.069 63.245 63.200 0.190 0.000 0.780 41 S HN 0.651 nan 8.310 nan 0.000 0.514 42 R N 1.442 122.117 120.500 0.290 0.000 2.387 42 R HA 0.354 4.694 4.340 0.000 0.000 0.314 42 R C -1.630 174.727 176.300 0.095 0.000 0.958 42 R CA -0.294 55.919 56.100 0.189 0.000 0.846 42 R CB 0.766 31.269 30.300 0.338 0.000 1.147 42 R HN 0.515 nan 8.270 nan 0.000 0.447 43 H N 4.527 123.437 119.070 -0.265 0.000 3.099 43 H HA 0.283 4.838 4.556 -0.001 0.000 0.342 43 H C -1.802 173.152 175.328 -0.624 0.000 1.054 43 H CA -0.237 55.666 56.048 -0.242 0.000 1.328 43 H CB 0.980 30.683 29.762 -0.097 0.000 1.876 43 H HN 0.602 nan 8.280 nan 0.000 0.495 44 Y N 1.994 121.891 120.300 -0.671 0.000 2.633 44 Y HA 0.183 4.734 4.550 0.002 0.000 0.339 44 Y C 1.625 177.140 175.900 -0.642 0.000 1.045 44 Y CA -0.694 57.129 58.100 -0.462 0.000 1.098 44 Y CB 1.453 39.724 38.460 -0.314 0.000 1.296 44 Y HN 0.669 nan 8.280 nan 0.000 0.494 45 N N -1.552 117.060 118.700 -0.147 0.000 2.299 45 N HA -0.001 4.739 4.740 0.000 0.000 0.187 45 N C 1.123 176.575 175.510 -0.098 0.000 1.099 45 N CA 0.922 53.890 53.050 -0.136 0.000 0.867 45 N CB 0.046 38.573 38.487 0.067 0.000 0.974 45 N HN 0.935 nan 8.380 nan 0.000 0.477 46 T N 0.729 115.223 114.554 -0.099 0.000 3.007 46 T HA -0.096 4.254 4.350 0.000 0.000 0.270 46 T C 1.517 176.136 174.700 -0.135 0.000 1.107 46 T CA 0.967 63.012 62.100 -0.092 0.000 1.118 46 T CB -0.265 68.560 68.868 -0.072 0.000 0.889 46 T HN -0.040 nan 8.240 nan 0.000 0.506 47 D N 1.603 121.854 120.400 -0.249 0.000 2.182 47 D HA -0.101 4.539 4.640 0.000 0.000 0.201 47 D C 1.695 177.714 176.300 -0.469 0.000 0.986 47 D CA 0.928 54.648 54.000 -0.465 0.000 0.847 47 D CB -0.112 40.328 40.800 -0.599 0.000 0.942 47 D HN 0.523 nan 8.370 nan 0.000 0.467 48 D N 0.457 120.775 120.400 -0.138 0.000 2.117 48 D HA -0.085 4.555 4.640 0.000 0.000 0.198 48 D C 2.015 178.347 176.300 0.053 0.000 0.982 48 D CA 1.078 55.102 54.000 0.039 0.000 0.828 48 D CB -0.204 40.678 40.800 0.136 0.000 0.967 48 D HN 0.164 nan 8.370 nan 0.000 0.464 49 A N 1.150 123.978 122.820 0.013 0.000 1.933 49 A HA -0.097 4.223 4.320 0.000 0.000 0.218 49 A C 2.426 180.063 177.584 0.089 0.000 1.175 49 A CA 0.746 52.806 52.037 0.039 0.000 0.628 49 A CB -0.712 18.287 19.000 -0.003 0.000 0.814 49 A HN 0.173 nan 8.150 nan 0.000 0.444 50 L N -1.911 119.345 121.223 0.056 0.000 2.046 50 L HA -0.192 4.148 4.340 0.000 0.000 0.208 50 L C 2.546 179.655 176.870 0.398 0.000 1.077 50 L CA 1.253 56.205 54.840 0.187 0.000 0.747 50 L CB -0.780 41.321 42.059 0.070 0.000 0.896 50 L HN 0.388 nan 8.230 nan 0.000 0.432 51 Y N 0.286 120.750 120.300 0.273 0.000 2.220 51 Y HA -0.165 4.384 4.550 -0.001 0.000 0.291 51 Y C 2.431 178.455 175.900 0.206 0.000 1.129 51 Y CA 0.351 58.625 58.100 0.291 0.000 1.161 51 Y CB -0.909 37.697 38.460 0.243 0.000 0.997 51 Y HN 0.196 nan 8.280 nan 0.000 0.522 52 D N -0.097 120.481 120.400 0.297 0.000 2.149 52 D HA -0.166 4.474 4.640 0.000 0.000 0.198 52 D C 2.263 178.623 176.300 0.101 0.000 0.990 52 D CA 1.453 55.551 54.000 0.163 0.000 0.839 52 D CB -0.453 40.414 40.800 0.112 0.000 0.948 52 D HN 0.274 nan 8.370 nan 0.000 0.460 53 A N -0.260 122.629 122.820 0.114 0.000 2.019 53 A HA -0.160 4.160 4.320 0.000 0.000 0.219 53 A C 2.004 179.530 177.584 -0.097 0.000 1.164 53 A CA 0.922 52.989 52.037 0.049 0.000 0.644 53 A CB -0.756 18.335 19.000 0.151 0.000 0.805 53 A HN 0.295 nan 8.150 nan 0.000 0.449 54 F N -0.512 119.227 119.950 -0.352 0.000 2.118 54 F HA 0.370 4.897 4.527 -0.001 0.000 0.293 54 F C 1.261 176.952 175.800 -0.182 0.000 1.102 54 F CA 1.486 59.200 58.000 -0.477 0.000 1.247 54 F CB -0.105 38.590 39.000 -0.508 0.000 1.017 54 F HN 0.436 nan 8.300 nan 0.000 0.475 55 G N -0.411 108.316 108.800 -0.121 0.000 2.404 55 G HA2 0.056 4.016 3.960 0.000 0.000 0.253 55 G HA3 0.056 4.016 3.960 0.000 0.000 0.253 55 G C -1.386 173.525 174.900 0.020 0.000 1.253 55 G CA -0.542 44.444 45.100 -0.191 0.000 0.917 55 G HN 0.158 nan 8.290 nan 0.000 0.480 56 E N 0.055 120.250 120.200 -0.008 0.000 2.105 56 E HA 0.501 4.851 4.350 0.000 0.000 0.285 56 E C -0.871 175.747 176.600 0.031 0.000 1.055 56 E CA -0.366 56.047 56.400 0.021 0.000 0.843 56 E CB 1.085 30.780 29.700 -0.009 0.000 1.067 56 E HN 0.282 nan 8.360 nan 0.000 0.398 57 V N 6.019 125.945 119.914 0.020 0.000 2.326 57 V HA 0.190 4.310 4.120 0.000 0.000 0.281 57 V C -0.403 175.642 176.094 -0.082 0.000 1.015 57 V CA -1.051 61.182 62.300 -0.112 0.000 0.823 57 V CB 1.226 32.887 31.823 -0.269 0.000 1.009 57 V HN 0.638 nan 8.190 nan 0.000 0.436 58 N N 4.534 123.185 118.700 -0.082 0.000 2.415 58 N HA 0.301 5.041 4.740 0.000 0.000 0.246 58 N C -0.574 174.902 175.510 -0.055 0.000 1.078 58 N CA -0.347 52.676 53.050 -0.045 0.000 0.942 58 N CB 1.878 40.351 38.487 -0.024 0.000 1.140 58 N HN 0.508 nan 8.380 nan 0.000 0.501 59 L N 4.174 125.368 121.223 -0.048 0.000 2.292 59 L HA 0.465 4.805 4.340 0.000 0.000 0.284 59 L C -0.685 176.135 176.870 -0.084 0.000 1.065 59 L CA -0.202 54.608 54.840 -0.050 0.000 0.806 59 L CB 0.573 42.627 42.059 -0.008 0.000 1.175 59 L HN 0.317 nan 8.230 nan 0.000 0.431 60 I N 4.642 125.143 120.570 -0.115 0.000 2.406 60 I HA 0.427 4.597 4.170 0.000 0.000 0.290 60 I C -0.360 175.652 176.117 -0.174 0.000 0.999 60 I CA -0.381 60.769 61.300 -0.250 0.000 1.124 60 I CB 1.592 39.207 38.000 -0.641 0.000 1.289 60 I HN 0.679 nan 8.210 nan 0.000 0.441 61 E N 4.477 124.593 120.200 -0.140 0.000 2.234 61 E HA 0.847 5.197 4.350 0.000 0.000 0.266 61 E C -0.972 175.590 176.600 -0.064 0.000 0.877 61 E CA -0.716 55.644 56.400 -0.067 0.000 0.758 61 E CB 3.015 32.676 29.700 -0.066 0.000 1.170 61 E HN 0.743 nan 8.360 nan 0.000 0.415 62 A N 1.478 124.287 122.820 -0.018 0.000 2.536 62 A HA 0.578 4.898 4.320 0.000 0.000 0.293 62 A C -0.601 177.001 177.584 0.031 0.000 1.119 62 A CA -0.751 51.282 52.037 -0.008 0.000 0.654 62 A CB 0.875 19.859 19.000 -0.026 0.000 1.291 62 A HN 0.617 nan 8.150 nan 0.000 0.439 63 S N 0.104 115.822 115.700 0.030 0.000 2.576 63 S HA 0.442 4.912 4.470 0.000 0.000 0.272 63 S C 1.398 176.035 174.600 0.061 0.000 1.352 63 S CA 0.297 58.526 58.200 0.049 0.000 1.021 63 S CB 0.932 64.154 63.200 0.037 0.000 0.887 63 S HN 2.197 nan 8.310 nan 0.000 0.542 64 A N 1.165 124.031 122.820 0.077 0.000 1.865 64 A HA -0.129 4.191 4.320 0.000 0.000 0.217 64 A C 2.135 179.753 177.584 0.056 0.000 1.191 64 A CA 2.038 54.124 52.037 0.082 0.000 0.623 64 A CB -1.428 17.624 19.000 0.087 0.000 0.826 64 A HN 0.985 nan 8.150 nan 0.000 0.444 65 E N 0.110 120.335 120.200 0.041 0.000 2.110 65 E HA -0.178 4.172 4.350 0.000 0.000 0.193 65 E C 1.906 178.518 176.600 0.021 0.000 0.988 65 E CA 1.759 58.175 56.400 0.026 0.000 0.804 65 E CB -0.256 29.457 29.700 0.021 0.000 0.745 65 E HN 0.731 nan 8.360 nan 0.000 0.458 66 E N -0.286 119.928 120.200 0.024 0.000 2.072 66 E HA -0.146 4.204 4.350 0.000 0.000 0.191 66 E C 2.173 178.790 176.600 0.027 0.000 0.985 66 E CA 1.038 57.448 56.400 0.017 0.000 0.801 66 E CB -0.108 29.598 29.700 0.009 0.000 0.750 66 E HN 0.307 nan 8.360 nan 0.000 0.452 67 L N 0.626 121.878 121.223 0.048 0.000 2.056 67 L HA -0.168 4.172 4.340 0.000 0.000 0.207 67 L C 2.420 179.346 176.870 0.094 0.000 1.078 67 L CA 0.795 55.693 54.840 0.096 0.000 0.749 67 L CB -0.307 41.837 42.059 0.143 0.000 0.901 67 L HN 0.162 nan 8.230 nan 0.000 0.433 68 I N -0.129 120.465 120.570 0.040 0.000 2.163 68 I HA -0.306 3.864 4.170 0.000 0.000 0.243 68 I C 2.440 178.547 176.117 -0.017 0.000 1.085 68 I CA 1.499 62.789 61.300 -0.016 0.000 1.347 68 I CB -0.264 37.712 38.000 -0.040 0.000 1.044 68 I HN 0.285 nan 8.210 nan 0.000 0.408 69 E N 0.268 120.467 120.200 -0.002 0.000 2.106 69 E HA -0.254 4.096 4.350 0.000 0.000 0.192 69 E C 2.256 178.862 176.600 0.010 0.000 0.984 69 E CA 0.868 57.265 56.400 -0.005 0.000 0.806 69 E CB -0.161 29.537 29.700 -0.002 0.000 0.750 69 E HN 0.353 nan 8.360 nan 0.000 0.458 70 R N 1.102 121.622 120.500 0.034 0.000 2.083 70 R HA -0.165 4.175 4.340 0.000 0.000 0.237 70 R C 2.260 178.611 176.300 0.084 0.000 1.137 70 R CA 1.431 57.566 56.100 0.059 0.000 0.951 70 R CB -0.252 30.092 30.300 0.074 0.000 0.851 70 R HN 0.143 nan 8.270 nan 0.000 0.434 71 I N 0.765 121.390 120.570 0.092 0.000 2.226 71 I HA -0.292 3.878 4.170 0.000 0.000 0.245 71 I C 2.509 178.610 176.117 -0.027 0.000 1.100 71 I CA 1.403 62.717 61.300 0.023 0.000 1.374 71 I CB -0.354 37.607 38.000 -0.065 0.000 1.057 71 I HN 0.363 nan 8.210 nan 0.000 0.413 72 Q N 0.232 120.011 119.800 -0.034 0.000 2.096 72 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 72 Q C 2.450 178.435 176.000 -0.025 0.000 0.982 72 Q CA 1.897 57.673 55.803 -0.044 0.000 0.850 72 Q CB -0.154 28.555 28.738 -0.047 0.000 0.901 72 Q HN 0.403 nan 8.270 nan 0.000 0.422 73 S N 0.821 116.516 115.700 -0.008 0.000 2.399 73 S HA -0.152 4.318 4.470 0.000 0.000 0.231 73 S C 1.467 176.067 174.600 0.000 0.000 1.022 73 S CA 1.072 59.271 58.200 -0.003 0.000 0.983 73 S CB -0.107 63.097 63.200 0.006 0.000 0.803 73 S HN 0.353 nan 8.310 nan 0.000 0.480 74 E N 0.545 120.749 120.200 0.007 0.000 2.478 74 E HA 0.160 4.510 4.350 0.000 0.000 0.198 74 E C 1.474 178.068 176.600 -0.010 0.000 1.046 74 E CA 0.179 56.584 56.400 0.009 0.000 0.870 74 E CB -0.164 29.554 29.700 0.030 0.000 0.818 74 E HN 0.483 nan 8.360 nan 0.000 0.527 75 G N 1.319 110.107 108.800 -0.020 0.000 2.574 75 G HA2 -0.421 3.539 3.960 0.000 0.000 0.286 75 G HA3 -0.421 3.539 3.960 0.000 0.000 0.286 75 G C 0.815 175.697 174.900 -0.030 0.000 1.212 75 G CA 0.226 45.312 45.100 -0.025 0.000 0.979 75 G HN 0.432 nan 8.290 nan 0.000 0.557 76 A N -0.066 122.740 122.820 -0.024 0.000 2.251 76 A HA 0.373 4.693 4.320 0.000 0.000 0.209 76 A C 1.538 179.109 177.584 -0.022 0.000 1.187 76 A CA 1.316 53.338 52.037 -0.025 0.000 0.823 76 A CB -0.319 18.670 19.000 -0.019 0.000 0.846 76 A HN 0.604 nan 8.150 nan 0.000 0.486 77 N N -0.361 118.328 118.700 -0.018 0.000 2.238 77 N HA 0.078 4.818 4.740 0.000 0.000 0.222 77 N C 0.066 175.569 175.510 -0.010 0.000 1.133 77 N CA -0.158 52.885 53.050 -0.011 0.000 0.854 77 N CB 0.460 38.945 38.487 -0.004 0.000 1.041 77 N HN 0.220 nan 8.380 nan 0.000 0.510 78 S N 2.090 117.773 115.700 -0.027 0.000 2.537 78 S HA 0.078 4.548 4.470 0.000 0.000 0.286 78 S C -1.285 173.292 174.600 -0.037 0.000 1.299 78 S CA -1.197 56.983 58.200 -0.033 0.000 1.067 78 S CB 0.629 63.766 63.200 -0.104 0.000 0.864 78 S HN 0.203 nan 8.310 nan 0.000 0.494 79 P HA 0.136 nan 4.420 nan 0.000 0.245 79 P C 0.653 177.933 177.300 -0.034 0.000 1.212 79 P CA 0.078 63.186 63.100 0.013 0.000 0.774 79 P CB -0.455 31.286 31.700 0.069 0.000 0.999 80 G N 0.481 109.154 108.800 -0.211 0.000 2.442 80 G HA2 0.048 4.008 3.960 0.000 0.000 0.249 80 G HA3 0.048 4.008 3.960 0.000 0.000 0.249 80 G C 0.272 175.029 174.900 -0.239 0.000 1.263 80 G CA -0.227 44.600 45.100 -0.455 0.000 0.846 80 G HN -0.034 nan 8.290 nan 0.000 0.555 81 D N 0.257 120.570 120.400 -0.145 0.000 2.431 81 D HA 0.075 4.715 4.640 0.000 0.000 0.235 81 D C 0.782 177.069 176.300 -0.021 0.000 0.980 81 D CA 0.826 54.788 54.000 -0.064 0.000 0.912 81 D CB 0.645 41.418 40.800 -0.046 0.000 1.056 81 D HN 0.167 nan 8.370 nan 0.000 0.494 82 I N 1.512 122.067 120.570 -0.026 0.000 2.582 82 I HA 0.237 4.407 4.170 0.000 0.000 0.292 82 I C -0.909 175.290 176.117 0.137 0.000 1.066 82 I CA -0.853 60.509 61.300 0.103 0.000 1.053 82 I CB 2.660 40.720 38.000 0.099 0.000 1.241 82 I HN -0.162 nan 8.210 nan 0.000 0.421 83 L N 6.653 128.042 121.223 0.276 0.000 2.287 83 L HA 0.553 4.893 4.340 0.000 0.000 0.287 83 L C -1.439 175.681 176.870 0.418 0.000 1.022 83 L CA -0.130 54.895 54.840 0.310 0.000 0.814 83 L CB 1.185 43.372 42.059 0.213 0.000 1.217 83 L HN 0.381 nan 8.230 nan 0.000 0.420 84 F N 4.570 124.683 119.950 0.273 0.000 2.444 84 F HA 0.737 5.264 4.527 0.001 0.000 0.342 84 F C -0.008 175.943 175.800 0.252 0.000 1.121 84 F CA 0.108 58.283 58.000 0.292 0.000 0.997 84 F CB 1.630 40.817 39.000 0.312 0.000 1.130 84 F HN 0.630 nan 8.300 nan 0.000 0.454 85 T N 4.068 118.563 114.554 -0.097 0.000 2.754 85 T HA 0.682 5.032 4.350 0.000 0.000 0.296 85 T C -1.839 172.821 174.700 -0.066 0.000 1.205 85 T CA -0.510 61.633 62.100 0.072 0.000 1.009 85 T CB 1.326 70.252 68.868 0.097 0.000 1.368 85 T HN 0.298 nan 8.240 nan 0.000 0.509 86 V N 2.824 122.791 119.914 0.088 0.000 2.495 86 V HA 0.626 4.746 4.120 0.000 0.000 0.298 86 V C -0.538 175.627 176.094 0.119 0.000 1.031 86 V CA -0.275 62.099 62.300 0.123 0.000 0.871 86 V CB 1.412 33.376 31.823 0.235 0.000 0.988 86 V HN 1.077 nan 8.190 nan 0.000 0.432 87 D N 2.891 123.346 120.400 0.091 0.000 9.781 87 D HA -0.123 4.517 4.640 0.000 0.000 0.283 87 D C 0.792 177.069 176.300 -0.037 0.000 2.757 87 D CA 0.585 54.649 54.000 0.107 0.000 2.589 87 D CB 0.236 41.178 40.800 0.236 0.000 1.049 87 D HN 0.810 nan 8.370 nan 0.000 0.767 88 A N 3.368 126.149 122.820 -0.065 0.000 2.024 88 A HA 0.032 4.352 4.320 0.000 0.000 0.220 88 A C 2.166 179.714 177.584 -0.059 0.000 1.164 88 A CA 2.509 54.425 52.037 -0.202 0.000 0.643 88 A CB -0.388 18.602 19.000 -0.018 0.000 0.806 88 A HN 0.741 nan 8.150 nan 0.000 0.451 89 G N -1.095 107.733 108.800 0.047 0.000 2.432 89 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 89 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 89 G C 1.410 176.424 174.900 0.190 0.000 1.135 89 G CA 1.196 46.364 45.100 0.113 0.000 0.767 89 G HN 0.375 nan 8.290 nan 0.000 0.550 90 M N -0.007 119.647 119.600 0.090 0.000 2.287 90 M HA 0.265 4.745 4.480 0.000 0.000 0.266 90 M C 2.552 178.865 176.300 0.022 0.000 1.079 90 M CA 0.501 55.848 55.300 0.077 0.000 1.146 90 M CB -1.016 31.616 32.600 0.054 0.000 1.374 90 M HN 0.165 nan 8.290 nan 0.000 0.435 91 L N -1.639 119.499 121.223 -0.141 0.000 2.046 91 L HA -0.220 4.120 4.340 0.000 0.000 0.208 91 L C 2.433 179.286 176.870 -0.028 0.000 1.077 91 L CA 1.394 56.038 54.840 -0.328 0.000 0.747 91 L CB -0.687 40.607 42.059 -1.275 0.000 0.896 91 L HN 0.395 nan 8.230 nan 0.000 0.432 92 W N 1.146 122.396 121.300 -0.083 0.000 2.358 92 W HA -0.184 4.476 4.660 -0.001 0.000 0.303 92 W C 2.690 179.261 176.519 0.086 0.000 1.208 92 W CA 1.337 58.757 57.345 0.124 0.000 1.274 92 W CB -0.079 29.457 29.460 0.126 0.000 1.138 92 W HN -0.089 nan 8.180 nan 0.000 0.515 93 R N 0.066 120.636 120.500 0.117 0.000 2.091 93 R HA -0.170 4.170 4.340 0.000 0.000 0.238 93 R C 2.418 178.593 176.300 -0.209 0.000 1.136 93 R CA 1.703 57.714 56.100 -0.149 0.000 0.959 93 R CB -1.044 29.283 30.300 0.045 0.000 0.856 93 R HN 0.286 nan 8.270 nan 0.000 0.437 94 A N 1.044 123.795 122.820 -0.114 0.000 1.902 94 A HA -0.188 4.132 4.320 0.000 0.000 0.217 94 A C 2.082 179.516 177.584 -0.251 0.000 1.181 94 A CA 1.253 53.157 52.037 -0.222 0.000 0.623 94 A CB -0.337 18.499 19.000 -0.272 0.000 0.818 94 A HN 0.260 nan 8.150 nan 0.000 0.443 95 E N -0.364 119.819 120.200 -0.029 0.000 2.107 95 E HA -0.177 4.173 4.350 0.000 0.000 0.191 95 E C 2.000 178.506 176.600 -0.157 0.000 0.982 95 E CA 0.895 57.341 56.400 0.077 0.000 0.809 95 E CB -0.201 29.702 29.700 0.338 0.000 0.756 95 E HN 0.596 nan 8.360 nan 0.000 0.459 96 Q N -0.161 119.405 119.800 -0.391 0.000 2.135 96 Q HA -0.103 4.237 4.340 0.000 0.000 0.204 96 Q C 1.903 177.735 176.000 -0.280 0.000 0.981 96 Q CA 1.335 56.861 55.803 -0.463 0.000 0.856 96 Q CB -0.260 27.982 28.738 -0.828 0.000 0.902 96 Q HN 0.276 nan 8.270 nan 0.000 0.425 97 A N -0.238 122.431 122.820 -0.253 0.000 2.235 97 A HA 0.238 4.558 4.320 0.000 0.000 0.208 97 A C 1.395 178.882 177.584 -0.162 0.000 1.172 97 A CA 0.986 52.910 52.037 -0.188 0.000 0.786 97 A CB -0.343 18.549 19.000 -0.180 0.000 0.804 97 A HN 0.448 nan 8.150 nan 0.000 0.479 98 G N -1.065 107.641 108.800 -0.158 0.000 2.160 98 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 98 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 98 G C 0.634 175.448 174.900 -0.144 0.000 1.022 98 G CA 0.422 45.454 45.100 -0.114 0.000 0.741 98 G HN 0.444 nan 8.290 nan 0.000 0.508 99 L N -1.556 119.504 121.223 -0.271 0.000 2.313 99 L HA 0.309 4.649 4.340 0.000 0.000 0.214 99 L C 1.283 177.942 176.870 -0.351 0.000 1.119 99 L CA 0.486 55.093 54.840 -0.388 0.000 0.809 99 L CB -0.091 41.608 42.059 -0.599 0.000 0.933 99 L HN 0.297 nan 8.230 nan 0.000 0.449 100 F N 0.173 120.113 119.950 -0.017 0.000 2.425 100 F HA 0.290 4.817 4.527 -0.001 0.000 0.331 100 F C 0.569 176.365 175.800 -0.007 0.000 1.085 100 F CA -0.998 57.007 58.000 0.008 0.000 1.028 100 F CB 1.163 40.189 39.000 0.043 0.000 1.177 100 F HN -0.032 nan 8.300 nan 0.000 0.487 101 Q N 2.912 122.856 119.800 0.241 0.000 2.245 101 Q HA 0.530 4.870 4.340 0.000 0.000 0.256 101 Q C -2.922 173.144 176.000 0.111 0.000 0.942 101 Q CA -2.359 53.522 55.803 0.130 0.000 0.896 101 Q CB 1.563 30.355 28.738 0.090 0.000 1.272 101 Q HN 0.214 nan 8.270 nan 0.000 0.442 102 P HA 0.042 nan 4.420 nan 0.000 0.271 102 P C -0.640 176.707 177.300 0.078 0.000 1.216 102 P CA -0.258 62.865 63.100 0.040 0.000 0.776 102 P CB 1.064 32.771 31.700 0.011 0.000 0.881 103 V N 0.203 120.190 119.914 0.122 0.000 2.914 103 V HA 0.791 4.911 4.120 0.000 0.000 0.314 103 V C -0.363 175.808 176.094 0.127 0.000 1.084 103 V CA -1.111 61.260 62.300 0.119 0.000 0.963 103 V CB 2.352 34.246 31.823 0.119 0.000 1.025 103 V HN 0.443 nan 8.190 nan 0.000 0.432 104 R N 2.151 122.695 120.500 0.075 0.000 2.388 104 R HA 0.733 5.073 4.340 0.000 0.000 0.314 104 R C -0.551 175.766 176.300 0.029 0.000 0.959 104 R CA 0.427 56.562 56.100 0.059 0.000 0.851 104 R CB 0.594 30.919 30.300 0.041 0.000 1.168 104 R HN 1.675 nan 8.270 nan 0.000 0.472 105 S N 2.830 118.534 115.700 0.006 0.000 2.659 105 S HA 0.425 4.895 4.470 0.000 0.000 0.312 105 S C 1.442 176.031 174.600 -0.019 0.000 1.114 105 S CA -0.079 58.107 58.200 -0.024 0.000 1.063 105 S CB 1.546 64.698 63.200 -0.081 0.000 0.996 105 S HN 0.951 nan 8.310 nan 0.000 0.478 106 G N 4.305 113.102 108.800 -0.006 0.000 2.469 106 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 106 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 106 G C 1.301 176.193 174.900 -0.012 0.000 1.150 106 G CA 0.906 46.003 45.100 -0.004 0.000 0.763 106 G HN 0.737 nan 8.290 nan 0.000 0.561 107 K N -0.237 120.154 120.400 -0.016 0.000 2.032 107 K HA 0.042 4.362 4.320 0.000 0.000 0.209 107 K C 2.567 179.144 176.600 -0.038 0.000 1.048 107 K CA 0.975 57.250 56.287 -0.019 0.000 0.927 107 K CB -0.329 32.165 32.500 -0.010 0.000 0.712 107 K HN 0.273 nan 8.250 nan 0.000 0.441 108 L N 1.136 122.310 121.223 -0.081 0.000 2.083 108 L HA -0.218 4.122 4.340 0.000 0.000 0.209 108 L C 1.947 178.787 176.870 -0.049 0.000 1.083 108 L CA 0.978 55.737 54.840 -0.134 0.000 0.752 108 L CB -0.518 41.304 42.059 -0.395 0.000 0.899 108 L HN 0.225 nan 8.230 nan 0.000 0.433 109 N N -0.341 118.349 118.700 -0.016 0.000 2.142 109 N HA -0.147 4.593 4.740 0.000 0.000 0.186 109 N C 1.946 177.454 175.510 -0.002 0.000 1.023 109 N CA 1.254 54.314 53.050 0.016 0.000 0.852 109 N CB -0.255 38.244 38.487 0.019 0.000 0.998 109 N HN 0.212 nan 8.380 nan 0.000 0.424 110 E N 0.443 120.638 120.200 -0.010 0.000 2.077 110 E HA -0.042 4.308 4.350 0.000 0.000 0.193 110 E C 2.128 178.720 176.600 -0.015 0.000 0.989 110 E CA 1.004 57.397 56.400 -0.011 0.000 0.800 110 E CB -0.127 29.568 29.700 -0.010 0.000 0.746 110 E HN 0.499 nan 8.360 nan 0.000 0.452 111 R N -0.815 119.674 120.500 -0.018 0.000 2.105 111 R HA 0.293 4.633 4.340 0.000 0.000 0.214 111 R C 1.045 177.330 176.300 -0.024 0.000 1.091 111 R CA 0.243 56.332 56.100 -0.019 0.000 1.007 111 R CB 0.158 30.449 30.300 -0.016 0.000 0.912 111 R HN 0.260 nan 8.270 nan 0.000 0.450 112 I N 3.663 124.215 120.570 -0.031 0.000 2.396 112 I HA 0.142 4.312 4.170 0.000 0.000 0.289 112 I C -2.184 173.913 176.117 -0.033 0.000 1.056 112 I CA -2.329 58.946 61.300 -0.043 0.000 1.365 112 I CB 1.012 38.973 38.000 -0.065 0.000 1.407 112 I HN -0.221 nan 8.210 nan 0.000 0.509 113 P HA -0.062 nan 4.420 nan 0.000 0.264 113 P C 0.627 177.897 177.300 -0.051 0.000 1.183 113 P CA 0.157 63.231 63.100 -0.044 0.000 0.763 113 P CB 0.585 32.257 31.700 -0.048 0.000 0.807 114 E N 3.178 123.345 120.200 -0.055 0.000 2.160 114 E HA -0.271 4.079 4.350 0.000 0.000 0.195 114 E C 1.369 177.911 176.600 -0.096 0.000 0.991 114 E CA 1.216 57.572 56.400 -0.073 0.000 0.810 114 E CB -0.097 29.562 29.700 -0.069 0.000 0.742 114 E HN 0.474 nan 8.360 nan 0.000 0.466 115 N N 0.457 119.110 118.700 -0.079 0.000 2.467 115 N HA -0.117 4.623 4.740 0.000 0.000 0.184 115 N C 1.223 176.697 175.510 -0.059 0.000 1.106 115 N CA 0.452 53.456 53.050 -0.077 0.000 0.892 115 N CB 0.009 38.458 38.487 -0.065 0.000 0.969 115 N HN 0.261 nan 8.380 nan 0.000 0.454 116 L N 0.462 121.653 121.223 -0.054 0.000 2.741 116 L HA 0.299 4.639 4.340 0.000 0.000 0.237 116 L C 0.310 177.174 176.870 -0.011 0.000 1.178 116 L CA -0.349 54.484 54.840 -0.011 0.000 0.973 116 L CB -0.071 41.974 42.059 -0.022 0.000 1.255 116 L HN 0.185 nan 8.230 nan 0.000 0.498 117 R N -2.402 118.019 120.500 -0.131 0.000 2.774 117 R HA 0.397 4.737 4.340 0.000 0.000 0.272 117 R C -0.933 174.982 176.300 -0.642 0.000 1.000 117 R CA -0.980 54.916 56.100 -0.341 0.000 0.906 117 R CB 1.201 31.326 30.300 -0.291 0.000 1.227 117 R HN -0.096 nan 8.270 nan 0.000 0.468 118 H N 2.100 120.409 119.070 -1.270 0.000 2.848 118 H HA 0.133 4.689 4.556 -0.000 0.000 0.341 118 H C -1.464 173.451 175.328 -0.688 0.000 1.060 118 H CA -1.073 54.215 56.048 -1.266 0.000 1.444 118 H CB 1.325 29.989 29.762 -1.829 0.000 1.446 118 H HN 0.390 nan 8.280 nan 0.000 0.583 119 P HA -0.145 nan 4.420 nan 0.000 0.219 119 P C 0.137 177.326 177.300 -0.184 0.000 1.146 119 P CA 1.198 64.070 63.100 -0.381 0.000 0.808 119 P CB 0.391 31.874 31.700 -0.363 0.000 0.779 120 D N -1.589 118.819 120.400 0.013 0.000 2.340 120 D HA 0.187 4.827 4.640 0.000 0.000 0.217 120 D C 1.361 177.632 176.300 -0.048 0.000 1.081 120 D CA 0.512 54.539 54.000 0.045 0.000 0.842 120 D CB -0.276 40.587 40.800 0.106 0.000 0.934 120 D HN 0.139 nan 8.370 nan 0.000 0.511 121 G N 1.248 109.944 108.800 -0.173 0.000 2.160 121 G HA2 -0.316 3.644 3.960 0.000 0.000 0.251 121 G HA3 -0.316 3.644 3.960 0.000 0.000 0.251 121 G C 1.029 175.748 174.900 -0.302 0.000 1.008 121 G CA 0.353 45.316 45.100 -0.229 0.000 0.724 121 G HN 0.400 nan 8.290 nan 0.000 0.514 122 L N -1.403 119.503 121.223 -0.528 0.000 2.179 122 L HA 0.284 4.624 4.340 0.000 0.000 0.208 122 L C 1.701 178.217 176.870 -0.590 0.000 1.096 122 L CA 1.282 55.821 54.840 -0.502 0.000 0.779 122 L CB -0.172 41.512 42.059 -0.624 0.000 0.922 122 L HN 0.661 nan 8.230 nan 0.000 0.443 123 W N -3.198 117.664 121.300 -0.730 0.000 3.005 123 W HA 0.501 5.162 4.660 0.002 0.000 0.343 123 W C -2.008 174.016 176.519 -0.824 0.000 1.243 123 W CA -1.099 55.840 57.345 -0.677 0.000 1.186 123 W CB 0.820 29.834 29.460 -0.744 0.000 1.453 123 W HN -0.368 nan 8.180 nan 0.000 0.575 124 Y N 0.596 121.042 120.300 0.242 0.000 2.470 124 Y HA 0.555 5.104 4.550 -0.001 0.000 0.341 124 Y C 0.731 176.529 175.900 -0.169 0.000 1.021 124 Y CA -0.817 57.242 58.100 -0.068 0.000 1.025 124 Y CB 2.113 40.366 38.460 -0.345 0.000 1.266 124 Y HN 0.634 nan 8.280 nan 0.000 0.448 125 G N 1.036 109.808 108.800 -0.046 0.000 2.432 125 G HA2 0.356 4.316 3.960 0.000 0.000 0.257 125 G HA3 0.356 4.316 3.960 0.000 0.000 0.257 125 G C -0.516 174.168 174.900 -0.360 0.000 1.238 125 G CA -0.003 45.053 45.100 -0.072 0.000 0.838 125 G HN 0.628 nan 8.290 nan 0.000 0.547 126 F N -0.138 119.957 119.950 0.243 0.000 2.778 126 F HA 0.245 4.772 4.527 0.001 0.000 0.314 126 F C 1.564 177.560 175.800 0.326 0.000 1.073 126 F CA 0.506 58.686 58.000 0.299 0.000 1.218 126 F CB 0.755 40.011 39.000 0.426 0.000 1.037 126 F HN 0.593 nan 8.300 nan 0.000 0.594 127 T N -1.098 113.715 114.554 0.432 0.000 2.901 127 T HA 0.662 5.012 4.350 0.000 0.000 0.293 127 T C -0.942 173.865 174.700 0.179 0.000 1.084 127 T CA -0.759 61.505 62.100 0.273 0.000 1.008 127 T CB 2.431 71.420 68.868 0.201 0.000 1.170 127 T HN 0.154 nan 8.240 nan 0.000 0.509 128 Q N 0.477 120.379 119.800 0.170 0.000 2.423 128 Q HA 0.763 5.103 4.340 0.000 0.000 0.278 128 Q C -1.047 175.096 176.000 0.238 0.000 1.097 128 Q CA -1.316 54.577 55.803 0.149 0.000 0.809 128 Q CB 2.313 31.101 28.738 0.082 0.000 1.391 128 Q HN 0.854 nan 8.270 nan 0.000 0.428 129 R N 0.179 120.799 120.500 0.201 0.000 2.888 129 R HA 0.879 5.219 4.340 0.000 0.000 0.266 129 R C -1.515 174.917 176.300 0.220 0.000 1.020 129 R CA -0.763 55.515 56.100 0.298 0.000 0.963 129 R CB 1.676 32.173 30.300 0.328 0.000 1.197 129 R HN 0.693 nan 8.270 nan 0.000 0.481 130 A N 1.448 124.435 122.820 0.278 0.000 2.337 130 A HA 0.581 4.901 4.320 0.000 0.000 0.329 130 A C -0.557 177.146 177.584 0.199 0.000 1.146 130 A CA -0.913 51.257 52.037 0.222 0.000 0.800 130 A CB 1.151 20.342 19.000 0.318 0.000 1.220 130 A HN 0.711 nan 8.150 nan 0.000 0.472 131 R N 1.969 122.628 120.500 0.265 0.000 2.230 131 R HA 0.470 4.810 4.340 0.000 0.000 0.337 131 R C -0.172 176.301 176.300 0.289 0.000 1.063 131 R CA -0.223 56.038 56.100 0.268 0.000 0.935 131 R CB 0.156 30.652 30.300 0.327 0.000 1.121 131 R HN 0.758 nan 8.270 nan 0.000 0.486 132 V N 1.820 121.784 119.914 0.083 0.000 3.438 132 V HA 0.610 4.730 4.120 0.000 0.000 0.298 132 V C -0.225 175.764 176.094 -0.174 0.000 1.148 132 V CA -1.041 61.184 62.300 -0.125 0.000 0.994 132 V CB 1.203 32.726 31.823 -0.500 0.000 1.236 132 V HN 0.494 nan 8.190 nan 0.000 0.455 133 L N 0.464 121.510 121.223 -0.296 0.000 2.325 133 L HA 0.591 4.931 4.340 0.000 0.000 0.278 133 L C -1.226 175.361 176.870 -0.473 0.000 1.023 133 L CA -0.450 54.269 54.840 -0.202 0.000 0.811 133 L CB 1.572 43.621 42.059 -0.017 0.000 1.249 133 L HN 0.664 nan 8.230 nan 0.000 0.431 134 Y N 1.433 121.743 120.300 0.017 0.000 2.429 134 Y HA 0.557 5.107 4.550 0.001 0.000 0.342 134 Y C -0.434 175.499 175.900 0.054 0.000 1.004 134 Y CA -0.734 57.347 58.100 -0.033 0.000 1.075 134 Y CB 1.928 40.347 38.460 -0.068 0.000 1.214 134 Y HN 0.433 nan 8.280 nan 0.000 0.455 135 Y N -1.383 118.962 120.300 0.075 0.000 2.588 135 Y HA 0.614 5.165 4.550 0.001 0.000 0.343 135 Y C -0.506 175.432 175.900 0.063 0.000 1.065 135 Y CA -1.827 56.289 58.100 0.026 0.000 1.038 135 Y CB 1.183 39.611 38.460 -0.052 0.000 1.297 135 Y HN 0.455 nan 8.280 nan 0.000 0.467 136 S N 2.563 118.357 115.700 0.157 0.000 2.481 136 S HA 0.167 4.637 4.470 0.000 0.000 0.282 136 S C 1.067 175.753 174.600 0.143 0.000 1.243 136 S CA -0.320 57.937 58.200 0.095 0.000 1.078 136 S CB 0.215 63.488 63.200 0.122 0.000 0.916 136 S HN 0.869 nan 8.310 nan 0.000 0.495 137 R N 3.120 123.632 120.500 0.019 0.000 2.091 137 R HA -0.127 4.213 4.340 0.000 0.000 0.238 137 R C 1.637 178.018 176.300 0.136 0.000 1.136 137 R CA 2.055 58.210 56.100 0.092 0.000 0.959 137 R CB -0.397 29.922 30.300 0.031 0.000 0.856 137 R HN 0.763 nan 8.270 nan 0.000 0.437 138 D N 0.090 120.545 120.400 0.091 0.000 2.117 138 D HA -0.125 4.515 4.640 0.000 0.000 0.198 138 D C 1.545 177.898 176.300 0.087 0.000 0.982 138 D CA 1.281 55.327 54.000 0.077 0.000 0.828 138 D CB 0.215 41.047 40.800 0.054 0.000 0.967 138 D HN 0.082 nan 8.370 nan 0.000 0.464 139 R N -0.942 119.622 120.500 0.106 0.000 2.334 139 R HA 0.252 4.592 4.340 0.000 0.000 0.212 139 R C -0.472 175.904 176.300 0.127 0.000 0.897 139 R CA -0.008 56.152 56.100 0.100 0.000 1.056 139 R CB 1.603 31.959 30.300 0.093 0.000 1.046 139 R HN 0.026 nan 8.270 nan 0.000 0.513 140 V N 1.829 121.853 119.914 0.184 0.000 2.531 140 V HA 0.167 4.287 4.120 0.000 0.000 0.301 140 V C -0.714 175.438 176.094 0.096 0.000 1.034 140 V CA -1.236 61.171 62.300 0.177 0.000 0.865 140 V CB 1.889 33.868 31.823 0.261 0.000 0.995 140 V HN 0.105 nan 8.190 nan 0.000 0.424 141 N N 7.088 125.790 118.700 0.004 0.000 2.422 141 N HA 0.281 5.021 4.740 0.000 0.000 0.264 141 N C -1.339 174.032 175.510 -0.233 0.000 1.063 141 N CA -1.907 51.106 53.050 -0.062 0.000 0.959 141 N CB 2.102 40.567 38.487 -0.038 0.000 1.087 141 N HN 0.319 nan 8.380 nan 0.000 0.483 142 P HA -0.113 nan 4.420 nan 0.000 0.223 142 P C 0.753 177.825 177.300 -0.380 0.000 1.144 142 P CA 0.727 63.440 63.100 -0.646 0.000 0.783 142 P CB 0.196 31.622 31.700 -0.455 0.000 0.771 143 A N 0.539 123.255 122.820 -0.174 0.000 2.019 143 A HA -0.166 4.154 4.320 0.000 0.000 0.219 143 A C 1.815 179.342 177.584 -0.094 0.000 1.164 143 A CA 1.666 53.650 52.037 -0.087 0.000 0.644 143 A CB -1.008 17.968 19.000 -0.040 0.000 0.805 143 A HN 0.075 nan 8.150 nan 0.000 0.449 144 D N -0.555 119.778 120.400 -0.111 0.000 2.355 144 D HA 0.138 4.778 4.640 0.000 0.000 0.218 144 D C 0.403 176.720 176.300 0.029 0.000 1.004 144 D CA 0.342 54.330 54.000 -0.020 0.000 0.880 144 D CB 0.019 40.825 40.800 0.011 0.000 0.911 144 D HN 0.394 nan 8.370 nan 0.000 0.528 145 L N 0.142 121.202 121.223 -0.271 0.000 2.360 145 L HA 0.289 4.629 4.340 0.000 0.000 0.271 145 L C 1.256 177.954 176.870 -0.286 0.000 1.057 145 L CA -0.253 54.288 54.840 -0.499 0.000 0.803 145 L CB 1.776 43.000 42.059 -1.392 0.000 1.207 145 L HN -0.089 nan 8.230 nan 0.000 0.445 146 S N -0.915 114.741 115.700 -0.073 0.000 5.084 146 S HA 0.181 4.651 4.470 0.000 0.000 0.156 146 S C 0.281 174.959 174.600 0.130 0.000 1.073 146 S CA 0.308 58.594 58.200 0.143 0.000 1.336 146 S CB 0.611 63.859 63.200 0.081 0.000 1.919 146 S HN 0.632 nan 8.310 nan 0.000 0.624 147 T N -0.893 113.667 114.554 0.010 0.000 2.907 147 T HA 0.683 5.033 4.350 0.000 0.000 0.290 147 T C 0.250 174.871 174.700 -0.132 0.000 1.066 147 T CA -0.619 61.428 62.100 -0.088 0.000 1.012 147 T CB 0.836 69.699 68.868 -0.008 0.000 1.184 147 T HN 0.176 nan 8.240 nan 0.000 0.522 148 Y N 0.320 120.643 120.300 0.038 0.000 2.207 148 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 148 Y C 2.564 178.549 175.900 0.141 0.000 1.156 148 Y CA 1.492 59.641 58.100 0.082 0.000 1.182 148 Y CB -0.762 37.689 38.460 -0.015 0.000 0.979 148 Y HN 0.678 nan 8.280 nan 0.000 0.521 149 E N 0.122 120.359 120.200 0.062 0.000 2.106 149 E HA -0.137 4.213 4.350 0.000 0.000 0.192 149 E C 2.325 179.055 176.600 0.216 0.000 0.984 149 E CA 1.160 57.516 56.400 -0.074 0.000 0.806 149 E CB -0.426 29.162 29.700 -0.187 0.000 0.750 149 E HN 0.418 nan 8.360 nan 0.000 0.458 150 A N 0.408 123.321 122.820 0.156 0.000 2.121 150 A HA -0.067 4.253 4.320 0.000 0.000 0.218 150 A C 1.867 179.603 177.584 0.253 0.000 1.154 150 A CA 0.630 52.781 52.037 0.191 0.000 0.679 150 A CB -0.490 18.603 19.000 0.156 0.000 0.795 150 A HN 0.197 nan 8.150 nan 0.000 0.458 151 L N -1.101 120.229 121.223 0.178 0.000 2.551 151 L HA -0.079 4.261 4.340 0.000 0.000 0.228 151 L C 2.571 179.549 176.870 0.180 0.000 1.153 151 L CA 0.569 55.413 54.840 0.006 0.000 0.851 151 L CB -0.284 41.733 42.059 -0.071 0.000 0.959 151 L HN 0.434 nan 8.230 nan 0.000 0.451 152 A N -1.373 121.595 122.820 0.247 0.000 2.169 152 A HA -0.018 4.302 4.320 0.000 0.000 0.212 152 A C 0.529 178.208 177.584 0.158 0.000 1.153 152 A CA 0.079 52.197 52.037 0.136 0.000 0.756 152 A CB -0.254 18.844 19.000 0.162 0.000 0.813 152 A HN 0.196 nan 8.150 nan 0.000 0.471 153 D N 0.505 121.057 120.400 0.253 0.000 2.423 153 D HA 0.175 4.815 4.640 0.000 0.000 0.238 153 D C -1.556 174.809 176.300 0.109 0.000 1.142 153 D CA -1.496 52.608 54.000 0.172 0.000 0.884 153 D CB 0.490 41.402 40.800 0.187 0.000 1.199 153 D HN 0.025 nan 8.370 nan 0.000 0.438 154 P HA -0.154 nan 4.420 nan 0.000 0.221 154 P C 1.219 178.452 177.300 -0.113 0.000 1.145 154 P CA 1.156 64.234 63.100 -0.036 0.000 0.795 154 P CB 0.003 31.673 31.700 -0.049 0.000 0.775 155 Q N -1.639 118.005 119.800 -0.261 0.000 2.364 155 Q HA -0.145 4.195 4.340 0.000 0.000 0.209 155 Q C 0.972 176.621 176.000 -0.585 0.000 0.977 155 Q CA 1.080 56.592 55.803 -0.485 0.000 0.885 155 Q CB -1.004 27.309 28.738 -0.708 0.000 0.941 155 Q HN 0.351 nan 8.270 nan 0.000 0.464 156 W N 1.193 122.479 121.300 -0.023 0.000 3.330 156 W HA 0.286 4.947 4.660 0.001 0.000 0.348 156 W C 0.333 176.842 176.519 -0.017 0.000 1.205 156 W CA -1.174 56.161 57.345 -0.017 0.000 1.841 156 W CB 0.502 29.956 29.460 -0.010 0.000 1.084 156 W HN -0.047 nan 8.180 nan 0.000 0.665 157 R N 1.056 121.613 120.500 0.096 0.000 2.537 157 R HA 0.223 4.563 4.340 0.000 0.000 0.281 157 R C 1.317 177.660 176.300 0.073 0.000 0.988 157 R CA 1.556 57.691 56.100 0.059 0.000 1.077 157 R CB 0.042 30.343 30.300 0.002 0.000 0.932 157 R HN 0.296 nan 8.270 nan 0.000 0.409 158 G N 3.256 112.102 108.800 0.076 0.000 2.162 158 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 158 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 158 G C 0.511 175.470 174.900 0.099 0.000 0.976 158 G CA 0.774 45.918 45.100 0.073 0.000 0.655 158 G HN 0.653 nan 8.290 nan 0.000 0.533 159 K N -0.870 119.620 120.400 0.150 0.000 2.412 159 K HA 0.334 4.654 4.320 0.000 0.000 0.202 159 K C 0.635 177.311 176.600 0.126 0.000 1.102 159 K CA -0.231 56.161 56.287 0.177 0.000 1.027 159 K CB 0.793 33.492 32.500 0.331 0.000 0.931 159 K HN 0.305 nan 8.250 nan 0.000 0.557 160 I N 2.499 123.137 120.570 0.115 0.000 2.365 160 I HA 0.237 4.407 4.170 0.000 0.000 0.291 160 I C -0.223 175.866 176.117 -0.045 0.000 1.004 160 I CA -0.473 60.856 61.300 0.048 0.000 1.311 160 I CB 0.868 38.933 38.000 0.108 0.000 1.401 160 I HN -0.002 nan 8.210 nan 0.000 0.491 161 L N 6.913 128.079 121.223 -0.095 0.000 2.325 161 L HA 0.693 5.033 4.340 0.000 0.000 0.281 161 L C -0.427 176.329 176.870 -0.191 0.000 1.004 161 L CA -0.585 54.153 54.840 -0.170 0.000 0.823 161 L CB 2.193 44.205 42.059 -0.079 0.000 1.236 161 L HN 0.332 nan 8.230 nan 0.000 0.415 162 V N 4.087 123.795 119.914 -0.343 0.000 3.048 162 V HA 0.513 4.633 4.120 0.000 0.000 0.303 162 V C -0.616 175.403 176.094 -0.125 0.000 1.214 162 V CA -0.725 61.472 62.300 -0.172 0.000 0.984 162 V CB 2.605 34.354 31.823 -0.124 0.000 1.054 162 V HN 0.876 nan 8.190 nan 0.000 0.430 163 R N 4.717 125.247 120.500 0.049 0.000 2.738 163 R HA 0.512 4.852 4.340 0.000 0.000 0.275 163 R C -2.496 173.928 176.300 0.208 0.000 1.121 163 R CA -1.258 54.882 56.100 0.066 0.000 1.207 163 R CB -0.326 30.005 30.300 0.052 0.000 1.141 163 R HN 0.448 nan 8.270 nan 0.000 0.571 164 P HA -0.058 nan 4.420 nan 0.000 0.269 164 P C 0.205 177.512 177.300 0.012 0.000 1.217 164 P CA 0.121 63.322 63.100 0.169 0.000 0.783 164 P CB 0.683 32.422 31.700 0.065 0.000 0.898 165 S N -0.262 115.304 115.700 -0.223 0.000 2.474 165 S HA -0.132 4.338 4.470 0.000 0.000 0.235 165 S C 1.626 176.015 174.600 -0.352 0.000 0.997 165 S CA 1.202 58.983 58.200 -0.698 0.000 0.949 165 S CB -1.318 61.389 63.200 -0.822 0.000 0.766 165 S HN 0.530 nan 8.310 nan 0.000 0.517 166 S N 1.689 117.283 115.700 -0.177 0.000 2.481 166 S HA -0.012 4.458 4.470 0.000 0.000 0.231 166 S C 0.765 175.292 174.600 -0.122 0.000 0.996 166 S CA -0.044 58.085 58.200 -0.119 0.000 0.942 166 S CB -0.842 62.319 63.200 -0.065 0.000 0.768 166 S HN 0.654 nan 8.310 nan 0.000 0.520 167 N N 1.353 119.970 118.700 -0.139 0.000 2.497 167 N HA 0.032 4.772 4.740 0.000 0.000 0.268 167 N C 1.030 176.443 175.510 -0.162 0.000 1.171 167 N CA 0.083 53.035 53.050 -0.163 0.000 0.948 167 N CB 1.561 39.957 38.487 -0.151 0.000 1.069 167 N HN 0.076 nan 8.380 nan 0.000 0.460 168 V N 5.758 125.557 119.914 -0.191 0.000 2.490 168 V HA -0.225 3.895 4.120 0.000 0.000 0.250 168 V C 1.172 177.308 176.094 0.069 0.000 1.061 168 V CA 1.540 63.798 62.300 -0.070 0.000 1.064 168 V CB -0.827 30.979 31.823 -0.028 0.000 0.670 168 V HN 0.656 nan 8.190 nan 0.000 0.461 169 Y N 0.769 121.124 120.300 0.092 0.000 2.165 169 Y HA -0.146 4.403 4.550 -0.001 0.000 0.286 169 Y C 2.542 178.482 175.900 0.067 0.000 1.155 169 Y CA 1.447 59.624 58.100 0.128 0.000 1.164 169 Y CB -1.327 37.244 38.460 0.185 0.000 0.978 169 Y HN 0.375 nan 8.280 nan 0.000 0.513 170 N N 0.076 118.863 118.700 0.145 0.000 2.171 170 N HA -0.091 4.649 4.740 0.000 0.000 0.184 170 N C 2.036 177.480 175.510 -0.110 0.000 1.021 170 N CA 0.811 53.864 53.050 0.004 0.000 0.854 170 N CB -0.677 37.722 38.487 -0.147 0.000 0.994 170 N HN 0.302 nan 8.380 nan 0.000 0.426 171 L N 0.619 121.769 121.223 -0.121 0.000 2.013 171 L HA -0.201 4.139 4.340 0.000 0.000 0.212 171 L C 2.201 179.042 176.870 -0.049 0.000 1.073 171 L CA 1.140 55.913 54.840 -0.111 0.000 0.753 171 L CB -0.415 41.592 42.059 -0.087 0.000 0.890 171 L HN 0.116 nan 8.230 nan 0.000 0.432 172 S N -0.378 115.334 115.700 0.020 0.000 2.387 172 S HA -0.132 4.338 4.470 0.000 0.000 0.226 172 S C 1.766 176.349 174.600 -0.028 0.000 1.026 172 S CA 0.993 59.237 58.200 0.073 0.000 0.972 172 S CB -0.240 63.084 63.200 0.207 0.000 0.814 172 S HN 0.256 nan 8.310 nan 0.000 0.477 173 L N 1.944 123.041 121.223 -0.209 0.000 2.017 173 L HA -0.084 4.256 4.340 0.000 0.000 0.208 173 L C 2.215 178.937 176.870 -0.246 0.000 1.073 173 L CA 1.955 56.441 54.840 -0.589 0.000 0.745 173 L CB -1.421 40.375 42.059 -0.438 0.000 0.894 173 L HN 0.182 nan 8.230 nan 0.000 0.432 174 T N 0.053 114.594 114.554 -0.021 0.000 2.746 174 T HA -0.146 4.204 4.350 0.000 0.000 0.267 174 T C 1.930 176.647 174.700 0.028 0.000 1.039 174 T CA 1.300 63.474 62.100 0.123 0.000 1.142 174 T CB -0.576 68.374 68.868 0.136 0.000 0.866 174 T HN 0.546 nan 8.240 nan 0.000 0.444 175 A N 1.995 124.814 122.820 -0.002 0.000 1.908 175 A HA -0.158 4.162 4.320 0.000 0.000 0.218 175 A C 2.605 180.194 177.584 0.008 0.000 1.181 175 A CA 2.408 54.463 52.037 0.030 0.000 0.627 175 A CB -1.063 17.959 19.000 0.037 0.000 0.818 175 A HN 0.627 nan 8.150 nan 0.000 0.445 176 S N -0.543 115.155 115.700 -0.004 0.000 2.382 176 S HA -0.202 4.268 4.470 0.000 0.000 0.228 176 S C 2.014 176.549 174.600 -0.108 0.000 1.027 176 S CA 1.258 59.453 58.200 -0.008 0.000 0.991 176 S CB -0.413 62.842 63.200 0.091 0.000 0.823 176 S HN 0.490 nan 8.310 nan 0.000 0.469 177 R N 1.348 121.766 120.500 -0.138 0.000 2.075 177 R HA 0.211 4.551 4.340 0.000 0.000 0.232 177 R C 2.311 178.565 176.300 -0.076 0.000 1.126 177 R CA 1.249 57.282 56.100 -0.112 0.000 0.963 177 R CB -1.302 28.870 30.300 -0.213 0.000 0.858 177 R HN 0.550 nan 8.270 nan 0.000 0.435 178 I N 0.743 121.234 120.570 -0.132 0.000 2.163 178 I HA -0.271 3.899 4.170 0.000 0.000 0.243 178 I C 2.477 178.292 176.117 -0.505 0.000 1.085 178 I CA 1.477 62.608 61.300 -0.281 0.000 1.347 178 I CB -0.508 37.284 38.000 -0.346 0.000 1.044 178 I HN 0.084 nan 8.210 nan 0.000 0.408 179 A N 0.945 123.437 122.820 -0.546 0.000 1.908 179 A HA -0.193 4.127 4.320 0.000 0.000 0.218 179 A C 2.285 179.712 177.584 -0.260 0.000 1.181 179 A CA 1.747 53.535 52.037 -0.416 0.000 0.627 179 A CB -0.787 18.163 19.000 -0.084 0.000 0.818 179 A HN 0.414 nan 8.150 nan 0.000 0.445 180 I N -2.071 118.333 120.570 -0.276 0.000 2.277 180 I HA -0.114 4.056 4.170 0.000 0.000 0.243 180 I C 2.121 177.990 176.117 -0.414 0.000 1.094 180 I CA 1.067 62.136 61.300 -0.384 0.000 1.393 180 I CB -0.264 37.389 38.000 -0.579 0.000 1.078 180 I HN 0.377 nan 8.210 nan 0.000 0.417 181 H N 0.188 119.180 119.070 -0.130 0.000 2.740 181 H HA 0.335 4.891 4.556 -0.000 0.000 0.265 181 H C 0.946 176.222 175.328 -0.086 0.000 0.978 181 H CA 0.833 56.824 56.048 -0.096 0.000 1.198 181 H CB 0.644 30.351 29.762 -0.091 0.000 1.467 181 H HN 0.332 nan 8.280 nan 0.000 0.511 182 G N 1.492 110.273 108.800 -0.033 0.000 2.746 182 G HA2 -0.266 3.694 3.960 0.000 0.000 0.685 182 G HA3 -0.266 3.694 3.960 0.000 0.000 0.685 182 G C 0.659 175.546 174.900 -0.022 0.000 1.350 182 G CA 0.158 45.226 45.100 -0.053 0.000 0.837 182 G HN 0.367 nan 8.290 nan 0.000 0.564 183 E N 0.453 120.639 120.200 -0.022 0.000 2.047 183 E HA -0.037 4.313 4.350 0.000 0.000 0.191 183 E C 0.020 176.642 176.600 0.037 0.000 0.987 183 E CA 1.627 58.032 56.400 0.009 0.000 0.799 183 E CB -0.398 29.312 29.700 0.017 0.000 0.752 183 E HN 0.357 nan 8.360 nan 0.000 0.449 184 P HA -0.193 nan 4.420 nan 0.000 0.215 184 P C 1.082 178.410 177.300 0.046 0.000 1.157 184 P CA 1.770 64.892 63.100 0.036 0.000 0.874 184 P CB -0.060 31.656 31.700 0.028 0.000 0.790 185 E N -0.806 119.421 120.200 0.046 0.000 2.072 185 E HA -0.124 4.226 4.350 0.000 0.000 0.191 185 E C 1.842 178.488 176.600 0.077 0.000 0.985 185 E CA 1.790 58.213 56.400 0.038 0.000 0.801 185 E CB -1.328 28.383 29.700 0.018 0.000 0.750 185 E HN 0.097 nan 8.360 nan 0.000 0.452 186 T N 0.223 114.842 114.554 0.110 0.000 2.746 186 T HA -0.133 4.217 4.350 0.000 0.000 0.267 186 T C 1.874 176.724 174.700 0.251 0.000 1.039 186 T CA 1.343 63.576 62.100 0.222 0.000 1.142 186 T CB -0.270 68.707 68.868 0.182 0.000 0.866 186 T HN 0.165 nan 8.240 nan 0.000 0.444 187 R N 0.874 121.456 120.500 0.137 0.000 2.096 187 R HA -0.090 4.250 4.340 0.000 0.000 0.240 187 R C 2.637 178.980 176.300 0.071 0.000 1.139 187 R CA 1.502 57.657 56.100 0.091 0.000 0.952 187 R CB -0.073 30.260 30.300 0.055 0.000 0.854 187 R HN 0.320 nan 8.270 nan 0.000 0.436 188 R N -1.051 119.496 120.500 0.079 0.000 2.081 188 R HA -0.202 4.138 4.340 0.000 0.000 0.235 188 R C 2.034 178.386 176.300 0.087 0.000 1.131 188 R CA 1.702 57.837 56.100 0.059 0.000 0.960 188 R CB -0.509 29.823 30.300 0.053 0.000 0.856 188 R HN 0.403 nan 8.270 nan 0.000 0.436 189 W N 1.649 122.927 121.300 -0.037 0.000 2.354 189 W HA -0.160 4.500 4.660 -0.001 0.000 0.315 189 W C 1.559 178.069 176.519 -0.015 0.000 1.206 189 W CA 1.263 58.589 57.345 -0.032 0.000 1.290 189 W CB -0.521 28.914 29.460 -0.043 0.000 1.152 189 W HN -0.053 nan 8.180 nan 0.000 0.489 190 L N 0.581 121.659 121.223 -0.243 0.000 2.079 190 L HA -0.300 4.040 4.340 0.000 0.000 0.210 190 L C 2.727 179.377 176.870 -0.365 0.000 1.081 190 L CA 1.876 56.449 54.840 -0.445 0.000 0.752 190 L CB -1.052 40.951 42.059 -0.093 0.000 0.896 190 L HN 0.143 nan 8.230 nan 0.000 0.433 191 Q N -0.443 119.234 119.800 -0.204 0.000 2.050 191 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 191 Q C 2.327 178.181 176.000 -0.244 0.000 0.980 191 Q CA 1.594 57.285 55.803 -0.186 0.000 0.840 191 Q CB -0.450 28.231 28.738 -0.094 0.000 0.898 191 Q HN 0.620 nan 8.270 nan 0.000 0.424 192 G N 0.806 109.478 108.800 -0.213 0.000 2.418 192 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 192 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 192 G C 1.369 176.090 174.900 -0.298 0.000 1.158 192 G CA 0.606 45.594 45.100 -0.187 0.000 0.771 192 G HN 0.217 nan 8.290 nan 0.000 0.545 193 L N 0.680 121.611 121.223 -0.487 0.000 1.994 193 L HA -0.017 4.323 4.340 0.000 0.000 0.208 193 L C 2.981 179.344 176.870 -0.845 0.000 1.071 193 L CA 1.443 55.928 54.840 -0.592 0.000 0.745 193 L CB -0.529 40.983 42.059 -0.911 0.000 0.892 193 L HN 0.081 nan 8.230 nan 0.000 0.431 194 V N 0.094 119.346 119.914 -1.104 0.000 2.332 194 V HA -0.247 3.873 4.120 0.000 0.000 0.248 194 V C 2.610 178.090 176.094 -1.024 0.000 1.055 194 V CA 1.803 63.091 62.300 -1.687 0.000 1.038 194 V CB -1.639 29.610 31.823 -0.955 0.000 0.651 194 V HN 0.664 nan 8.190 nan 0.000 0.450 195 G N 0.190 108.665 108.800 -0.542 0.000 2.475 195 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 195 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 195 G C 1.269 176.046 174.900 -0.205 0.000 1.125 195 G CA 0.969 45.895 45.100 -0.291 0.000 0.755 195 G HN 0.545 nan 8.290 nan 0.000 0.565 196 N N -0.032 118.537 118.700 -0.218 0.000 2.398 196 N HA 0.107 4.847 4.740 0.000 0.000 0.188 196 N C -0.183 175.386 175.510 0.097 0.000 1.122 196 N CA -0.304 52.728 53.050 -0.030 0.000 0.866 196 N CB -0.037 38.475 38.487 0.041 0.000 0.970 196 N HN 0.063 nan 8.380 nan 0.000 0.462 197 F N 1.258 121.130 119.950 -0.130 0.000 2.578 197 F HA 0.055 4.583 4.527 0.001 0.000 0.376 197 F C 1.750 177.507 175.800 -0.072 0.000 1.085 197 F CA -1.193 56.725 58.000 -0.138 0.000 1.260 197 F CB 0.130 39.019 39.000 -0.185 0.000 1.095 197 F HN 0.002 nan 8.300 nan 0.000 0.573 198 A N 4.620 127.509 122.820 0.114 0.000 2.015 198 A HA -0.004 4.316 4.320 0.000 0.000 0.219 198 A C 0.867 178.472 177.584 0.034 0.000 1.163 198 A CA 1.139 53.209 52.037 0.055 0.000 0.646 198 A CB -0.138 18.875 19.000 0.023 0.000 0.806 198 A HN 0.791 nan 8.150 nan 0.000 0.448 199 R N -2.522 117.984 120.500 0.011 0.000 2.712 199 R HA 0.364 4.704 4.340 0.000 0.000 0.272 199 R C -1.553 174.735 176.300 -0.019 0.000 1.032 199 R CA -1.012 55.088 56.100 0.000 0.000 0.874 199 R CB 0.357 30.641 30.300 -0.027 0.000 1.256 199 R HN -0.051 nan 8.270 nan 0.000 0.468 200 Q N 1.336 121.148 119.800 0.020 0.000 2.286 200 Q HA 0.154 4.494 4.340 0.000 0.000 0.290 200 Q C -2.089 173.870 176.000 -0.068 0.000 1.049 200 Q CA -1.319 54.503 55.803 0.030 0.000 0.923 200 Q CB 0.216 28.987 28.738 0.056 0.000 1.183 200 Q HN 0.385 nan 8.270 nan 0.000 0.383 201 P HA -0.088 nan 4.420 nan 0.000 0.262 201 P C -0.525 176.748 177.300 -0.045 0.000 1.182 201 P CA 0.637 63.647 63.100 -0.150 0.000 0.761 201 P CB 0.322 32.001 31.700 -0.035 0.000 0.795 202 E N 2.239 122.403 120.200 -0.059 0.000 2.392 202 E HA 0.628 4.978 4.350 0.000 0.000 0.279 202 E C -0.544 176.032 176.600 -0.040 0.000 0.964 202 E CA -1.139 55.243 56.400 -0.031 0.000 0.777 202 E CB 1.492 31.178 29.700 -0.024 0.000 1.249 202 E HN 0.580 nan 8.360 nan 0.000 0.449 203 G N 1.834 110.616 108.800 -0.030 0.000 2.756 203 G HA2 -0.159 3.801 3.960 0.000 0.000 0.678 203 G HA3 -0.159 3.801 3.960 0.000 0.000 0.678 203 G C -0.556 174.317 174.900 -0.045 0.000 1.349 203 G CA -0.240 44.836 45.100 -0.039 0.000 0.847 203 G HN 1.063 nan 8.290 nan 0.000 0.548 204 N N -0.512 118.149 118.700 -0.064 0.000 2.514 204 N HA 0.468 5.208 4.740 0.000 0.000 0.299 204 N C 0.863 176.284 175.510 -0.149 0.000 1.292 204 N CA 0.417 53.415 53.050 -0.086 0.000 0.963 204 N CB 0.242 38.679 38.487 -0.083 0.000 1.124 204 N HN 0.394 nan 8.380 nan 0.000 0.580 205 D N -0.996 119.241 120.400 -0.271 0.000 2.097 205 D HA -0.067 4.573 4.640 0.000 0.000 0.197 205 D C 1.377 177.441 176.300 -0.393 0.000 0.984 205 D CA 1.663 55.450 54.000 -0.354 0.000 0.826 205 D CB -0.601 39.820 40.800 -0.631 0.000 0.973 205 D HN 0.654 nan 8.370 nan 0.000 0.460 206 T N 0.193 114.444 114.554 -0.505 0.000 2.833 206 T HA -0.101 4.249 4.350 0.000 0.000 0.269 206 T C 1.934 176.523 174.700 -0.185 0.000 1.054 206 T CA 1.170 63.091 62.100 -0.298 0.000 1.135 206 T CB -0.289 68.457 68.868 -0.203 0.000 0.869 206 T HN 0.176 nan 8.240 nan 0.000 0.466 207 A N 1.686 124.412 122.820 -0.156 0.000 1.978 207 A HA -0.178 4.142 4.320 0.000 0.000 0.220 207 A C 2.382 179.908 177.584 -0.097 0.000 1.170 207 A CA 1.205 53.180 52.037 -0.103 0.000 0.636 207 A CB -0.406 18.546 19.000 -0.081 0.000 0.810 207 A HN 0.360 nan 8.150 nan 0.000 0.448 208 Q N -0.145 119.590 119.800 -0.109 0.000 2.119 208 Q HA -0.046 4.294 4.340 0.000 0.000 0.201 208 Q C 2.124 178.077 176.000 -0.079 0.000 0.972 208 Q CA 1.287 57.042 55.803 -0.081 0.000 0.847 208 Q CB -0.582 28.124 28.738 -0.053 0.000 0.903 208 Q HN 0.785 nan 8.270 nan 0.000 0.433 209 I N 0.631 121.116 120.570 -0.140 0.000 2.179 209 I HA -0.269 3.901 4.170 0.000 0.000 0.242 209 I C 2.461 178.518 176.117 -0.100 0.000 1.088 209 I CA 1.219 62.414 61.300 -0.174 0.000 1.357 209 I CB -0.286 37.518 38.000 -0.327 0.000 1.051 209 I HN 0.145 nan 8.210 nan 0.000 0.409 210 R N 0.771 121.213 120.500 -0.097 0.000 2.152 210 R HA -0.094 4.246 4.340 0.000 0.000 0.232 210 R C 2.399 178.672 176.300 -0.045 0.000 1.117 210 R CA 1.246 57.307 56.100 -0.066 0.000 0.981 210 R CB -0.385 29.877 30.300 -0.063 0.000 0.870 210 R HN 0.384 nan 8.270 nan 0.000 0.451 211 A N 1.290 124.082 122.820 -0.046 0.000 1.969 211 A HA -0.110 4.210 4.320 0.000 0.000 0.218 211 A C 2.093 179.668 177.584 -0.014 0.000 1.169 211 A CA 1.008 53.026 52.037 -0.032 0.000 0.635 211 A CB -0.367 18.609 19.000 -0.040 0.000 0.810 211 A HN 0.159 nan 8.150 nan 0.000 0.445 212 I N -0.160 120.405 120.570 -0.009 0.000 2.179 212 I HA -0.297 3.873 4.170 0.000 0.000 0.242 212 I C 2.958 179.081 176.117 0.010 0.000 1.088 212 I CA 1.207 62.515 61.300 0.013 0.000 1.357 212 I CB -0.434 37.583 38.000 0.027 0.000 1.051 212 I HN 0.347 nan 8.210 nan 0.000 0.409 213 A N 0.696 123.515 122.820 -0.003 0.000 1.972 213 A HA -0.083 4.237 4.320 0.000 0.000 0.219 213 A C 2.389 179.972 177.584 -0.002 0.000 1.169 213 A CA 1.710 53.746 52.037 -0.003 0.000 0.635 213 A CB -0.663 18.328 19.000 -0.014 0.000 0.810 213 A HN 0.453 nan 8.150 nan 0.000 0.446 214 A N -1.886 120.931 122.820 -0.006 0.000 2.235 214 A HA 0.398 4.718 4.320 0.000 0.000 0.208 214 A C 1.822 179.408 177.584 0.002 0.000 1.172 214 A CA 1.228 53.262 52.037 -0.005 0.000 0.786 214 A CB -0.909 18.084 19.000 -0.011 0.000 0.804 214 A HN 1.875 nan 8.150 nan 0.000 0.479 215 G N -0.857 107.948 108.800 0.009 0.000 2.143 215 G HA2 -0.281 3.679 3.960 0.000 0.000 0.249 215 G HA3 -0.281 3.679 3.960 0.000 0.000 0.249 215 G C 0.772 175.682 174.900 0.017 0.000 0.981 215 G CA 0.492 45.602 45.100 0.017 0.000 0.665 215 G HN 0.457 nan 8.290 nan 0.000 0.528 216 I N 0.460 121.036 120.570 0.010 0.000 2.353 216 I HA 0.290 4.460 4.170 0.000 0.000 0.248 216 I C 1.764 177.890 176.117 0.015 0.000 1.119 216 I CA 1.527 62.831 61.300 0.006 0.000 1.417 216 I CB -0.035 37.961 38.000 -0.007 0.000 1.078 216 I HN 0.461 nan 8.210 nan 0.000 0.421 217 G N -0.958 107.854 108.800 0.021 0.000 2.727 217 G HA2 0.320 4.280 3.960 0.000 0.000 0.289 217 G HA3 0.320 4.280 3.960 0.000 0.000 0.289 217 G C -0.958 173.979 174.900 0.061 0.000 1.418 217 G CA -0.274 44.850 45.100 0.040 0.000 0.818 217 G HN -0.138 nan 8.290 nan 0.000 0.486 218 D N -1.553 118.902 120.400 0.093 0.000 2.469 218 D HA 0.234 4.874 4.640 0.000 0.000 0.240 218 D C 0.373 176.742 176.300 0.114 0.000 1.087 218 D CA 0.591 54.668 54.000 0.128 0.000 0.876 218 D CB 1.575 42.497 40.800 0.203 0.000 1.160 218 D HN 0.184 nan 8.370 nan 0.000 0.497 219 V N 0.893 120.837 119.914 0.050 0.000 2.623 219 V HA 0.778 4.898 4.120 0.000 0.000 0.304 219 V C -0.628 175.461 176.094 -0.008 0.000 1.054 219 V CA -1.074 61.211 62.300 -0.025 0.000 0.882 219 V CB 1.843 33.493 31.823 -0.287 0.000 1.002 219 V HN 0.108 nan 8.190 nan 0.000 0.424 220 A N 5.180 128.037 122.820 0.063 0.000 2.356 220 A HA 0.952 5.272 4.320 0.000 0.000 0.323 220 A C -0.901 176.768 177.584 0.142 0.000 1.119 220 A CA -0.668 51.422 52.037 0.088 0.000 0.790 220 A CB 1.218 20.287 19.000 0.116 0.000 1.273 220 A HN 0.764 nan 8.150 nan 0.000 0.452 221 I N 1.251 121.909 120.570 0.145 0.000 2.339 221 I HA 0.622 4.792 4.170 0.000 0.000 0.290 221 I C 0.350 176.616 176.117 0.248 0.000 0.994 221 I CA 0.121 61.547 61.300 0.210 0.000 1.191 221 I CB 1.583 39.731 38.000 0.248 0.000 1.343 221 I HN 0.821 nan 8.210 nan 0.000 0.458 222 A N 5.075 128.079 122.820 0.306 0.000 2.601 222 A HA 0.585 4.905 4.320 0.000 0.000 0.291 222 A C -1.244 176.534 177.584 0.323 0.000 1.075 222 A CA -0.859 51.370 52.037 0.320 0.000 0.671 222 A CB 1.209 20.372 19.000 0.272 0.000 1.277 222 A HN 0.551 nan 8.150 nan 0.000 0.417 223 N N 0.787 119.626 118.700 0.232 0.000 2.482 223 N HA 0.228 4.968 4.740 0.000 0.000 0.260 223 N C 1.640 177.115 175.510 -0.059 0.000 1.236 223 N CA 0.553 53.579 53.050 -0.039 0.000 0.938 223 N CB 1.176 39.359 38.487 -0.505 0.000 1.128 223 N HN 0.735 nan 8.380 nan 0.000 0.448 224 S N 1.108 116.765 115.700 -0.072 0.000 2.370 224 S HA -0.240 4.230 4.470 0.000 0.000 0.226 224 S C 1.778 176.354 174.600 -0.040 0.000 1.033 224 S CA 1.422 59.627 58.200 0.008 0.000 1.011 224 S CB -0.868 62.414 63.200 0.135 0.000 0.852 224 S HN 0.752 nan 8.310 nan 0.000 0.457 225 Y N -0.124 120.124 120.300 -0.087 0.000 2.439 225 Y HA 0.169 4.718 4.550 -0.001 0.000 0.292 225 Y C 2.004 177.803 175.900 -0.169 0.000 1.130 225 Y CA 0.017 58.002 58.100 -0.192 0.000 1.254 225 Y CB -1.192 37.077 38.460 -0.320 0.000 1.000 225 Y HN 0.121 nan 8.280 nan 0.000 0.554 226 Y N -0.759 119.389 120.300 -0.255 0.000 2.224 226 Y HA -0.234 4.315 4.550 -0.002 0.000 0.289 226 Y C 2.459 178.324 175.900 -0.058 0.000 1.146 226 Y CA 1.408 59.442 58.100 -0.110 0.000 1.182 226 Y CB -1.126 37.214 38.460 -0.201 0.000 0.983 226 Y HN 0.293 nan 8.280 nan 0.000 0.524 227 Y N 0.033 120.318 120.300 -0.025 0.000 2.263 227 Y HA -0.170 4.381 4.550 0.001 0.000 0.292 227 Y C 2.091 177.997 175.900 0.011 0.000 1.130 227 Y CA 0.932 58.996 58.100 -0.059 0.000 1.179 227 Y CB -0.236 38.241 38.460 0.029 0.000 0.998 227 Y HN -0.051 nan 8.280 nan 0.000 0.532 228 I N 0.558 121.221 120.570 0.155 0.000 2.208 228 I HA -0.320 3.850 4.170 0.000 0.000 0.245 228 I C 2.310 178.430 176.117 0.005 0.000 1.097 228 I CA 1.472 62.826 61.300 0.090 0.000 1.363 228 I CB -1.491 36.558 38.000 0.083 0.000 1.051 228 I HN 0.292 nan 8.210 nan 0.000 0.413 229 R N 0.665 121.174 120.500 0.016 0.000 2.112 229 R HA -0.200 4.140 4.340 0.000 0.000 0.242 229 R C 2.414 178.689 176.300 -0.043 0.000 1.137 229 R CA 1.466 57.572 56.100 0.010 0.000 0.944 229 R CB -0.673 29.672 30.300 0.074 0.000 0.857 229 R HN 0.357 nan 8.270 nan 0.000 0.435 230 L N 0.740 121.897 121.223 -0.111 0.000 2.042 230 L HA -0.233 4.107 4.340 0.000 0.000 0.210 230 L C 2.650 179.403 176.870 -0.195 0.000 1.076 230 L CA 1.491 56.222 54.840 -0.183 0.000 0.749 230 L CB -0.506 41.374 42.059 -0.298 0.000 0.893 230 L HN 0.280 nan 8.230 nan 0.000 0.432 231 Q N 0.043 119.702 119.800 -0.235 0.000 2.170 231 Q HA -0.204 4.136 4.340 0.000 0.000 0.203 231 Q C 1.981 177.940 176.000 -0.069 0.000 0.976 231 Q CA 1.313 57.026 55.803 -0.152 0.000 0.858 231 Q CB -0.025 28.668 28.738 -0.074 0.000 0.907 231 Q HN 0.480 nan 8.270 nan 0.000 0.433 232 K N 0.319 120.690 120.400 -0.049 0.000 2.400 232 K HA 0.081 4.401 4.320 0.000 0.000 0.194 232 K C 0.737 177.322 176.600 -0.025 0.000 1.033 232 K CA -0.163 56.109 56.287 -0.025 0.000 1.021 232 K CB 0.356 32.847 32.500 -0.014 0.000 0.808 232 K HN -0.068 nan 8.250 nan 0.000 0.505 233 S N 1.227 116.905 115.700 -0.036 0.000 2.549 233 S HA -0.027 4.443 4.470 0.000 0.000 0.286 233 S C 1.273 175.858 174.600 -0.025 0.000 1.314 233 S CA -0.167 58.016 58.200 -0.028 0.000 1.062 233 S CB 0.824 64.001 63.200 -0.038 0.000 0.865 233 S HN 0.412 nan 8.310 nan 0.000 0.498 234 T N 0.858 115.403 114.554 -0.015 0.000 3.129 234 T HA 0.096 4.446 4.350 0.000 0.000 0.251 234 T C 0.308 175.000 174.700 -0.014 0.000 1.117 234 T CA -0.123 61.969 62.100 -0.013 0.000 1.034 234 T CB -0.146 68.718 68.868 -0.007 0.000 0.968 234 T HN 0.542 nan 8.240 nan 0.000 0.526 235 D N 2.672 123.062 120.400 -0.017 0.000 2.325 235 D HA 0.218 4.858 4.640 0.000 0.000 0.251 235 D C -1.649 174.638 176.300 -0.022 0.000 1.196 235 D CA -2.441 51.550 54.000 -0.017 0.000 0.866 235 D CB 1.897 42.687 40.800 -0.016 0.000 1.101 235 D HN 0.018 nan 8.370 nan 0.000 0.476 236 P HA -0.104 nan 4.420 nan 0.000 0.219 236 P C 0.932 178.219 177.300 -0.022 0.000 1.146 236 P CA 1.093 64.182 63.100 -0.018 0.000 0.808 236 P CB 0.196 31.888 31.700 -0.012 0.000 0.779 237 A N -0.044 122.763 122.820 -0.022 0.000 1.972 237 A HA -0.205 4.115 4.320 0.000 0.000 0.219 237 A C 1.899 179.461 177.584 -0.036 0.000 1.169 237 A CA 1.950 53.972 52.037 -0.025 0.000 0.635 237 A CB -1.200 17.788 19.000 -0.021 0.000 0.810 237 A HN 0.096 nan 8.150 nan 0.000 0.446 238 D N -0.620 119.754 120.400 -0.043 0.000 2.194 238 D HA -0.082 4.558 4.640 0.000 0.000 0.204 238 D C 2.028 178.279 176.300 -0.082 0.000 0.964 238 D CA 0.808 54.769 54.000 -0.066 0.000 0.846 238 D CB -0.259 40.502 40.800 -0.065 0.000 0.962 238 D HN 0.331 nan 8.370 nan 0.000 0.490 239 Q N 0.684 120.446 119.800 -0.062 0.000 2.224 239 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 239 Q C 1.882 177.853 176.000 -0.047 0.000 0.970 239 Q CA 0.759 56.526 55.803 -0.060 0.000 0.865 239 Q CB -0.131 28.584 28.738 -0.039 0.000 0.922 239 Q HN 0.531 nan 8.270 nan 0.000 0.445 240 E N -0.168 120.009 120.200 -0.037 0.000 2.106 240 E HA -0.110 4.240 4.350 0.000 0.000 0.192 240 E C 2.101 178.685 176.600 -0.028 0.000 0.984 240 E CA 1.022 57.407 56.400 -0.025 0.000 0.806 240 E CB 0.119 29.808 29.700 -0.019 0.000 0.750 240 E HN 0.074 nan 8.360 nan 0.000 0.458 241 V N 0.803 120.689 119.914 -0.046 0.000 2.295 241 V HA -0.234 3.886 4.120 0.000 0.000 0.246 241 V C 2.315 178.385 176.094 -0.040 0.000 1.049 241 V CA 1.344 63.614 62.300 -0.049 0.000 1.024 241 V CB -0.388 31.387 31.823 -0.080 0.000 0.648 241 V HN 0.143 nan 8.190 nan 0.000 0.447 242 V N -0.111 119.746 119.914 -0.095 0.000 2.407 242 V HA -0.244 3.876 4.120 0.000 0.000 0.248 242 V C 2.627 178.747 176.094 0.043 0.000 1.055 242 V CA 2.144 64.390 62.300 -0.091 0.000 1.049 242 V CB -0.683 31.023 31.823 -0.194 0.000 0.662 242 V HN 0.626 nan 8.190 nan 0.000 0.455 243 E N -0.753 119.454 120.200 0.012 0.000 2.152 243 E HA -0.142 4.208 4.350 0.000 0.000 0.192 243 E C 2.143 178.761 176.600 0.030 0.000 0.983 243 E CA 0.936 57.352 56.400 0.026 0.000 0.818 243 E CB -0.152 29.554 29.700 0.011 0.000 0.758 243 E HN 0.727 nan 8.360 nan 0.000 0.467 244 K N -0.571 119.842 120.400 0.022 0.000 2.323 244 K HA 0.162 4.482 4.320 0.000 0.000 0.197 244 K C 0.226 176.828 176.600 0.002 0.000 1.043 244 K CA 0.214 56.510 56.287 0.015 0.000 0.997 244 K CB 1.045 33.551 32.500 0.010 0.000 0.807 244 K HN 0.046 nan 8.250 nan 0.000 0.497 245 V N 0.866 120.795 119.914 0.025 0.000 2.656 245 V HA 0.284 4.404 4.120 0.000 0.000 0.307 245 V C -0.488 175.603 176.094 -0.005 0.000 1.051 245 V CA -0.824 61.471 62.300 -0.008 0.000 0.893 245 V CB 1.933 33.800 31.823 0.073 0.000 0.999 245 V HN -0.033 nan 8.190 nan 0.000 0.426 246 S N 3.219 118.680 115.700 -0.398 0.000 2.607 246 S HA 0.723 5.193 4.470 0.000 0.000 0.303 246 S C -0.703 173.581 174.600 -0.527 0.000 1.086 246 S CA -0.540 57.367 58.200 -0.489 0.000 0.995 246 S CB 1.928 64.745 63.200 -0.637 0.000 1.084 246 S HN 0.681 nan 8.310 nan 0.000 0.507 247 L N 2.543 123.454 121.223 -0.520 0.000 2.307 247 L HA 0.680 5.020 4.340 0.000 0.000 0.282 247 L C -1.447 175.292 176.870 -0.218 0.000 1.051 247 L CA -0.589 53.879 54.840 -0.620 0.000 0.804 247 L CB 0.621 42.094 42.059 -0.976 0.000 1.197 247 L HN 0.693 nan 8.230 nan 0.000 0.431 248 F N 4.474 124.180 119.950 -0.407 0.000 2.518 248 F HA 0.482 5.009 4.527 -0.000 0.000 0.323 248 F C -1.202 174.367 175.800 -0.385 0.000 1.129 248 F CA -0.719 57.150 58.000 -0.218 0.000 0.920 248 F CB 1.185 40.139 39.000 -0.076 0.000 1.160 248 F HN 0.255 nan 8.300 nan 0.000 0.440 249 F N 7.680 127.167 119.950 -0.772 0.000 2.444 249 F HA 0.354 4.881 4.527 0.000 0.000 0.360 249 F C -1.920 173.307 175.800 -0.955 0.000 1.106 249 F CA -2.018 55.594 58.000 -0.647 0.000 1.170 249 F CB 0.220 38.960 39.000 -0.433 0.000 1.113 249 F HN 0.288 nan 8.300 nan 0.000 0.521 250 P HA 0.215 nan 4.420 nan 0.000 0.278 250 P C -0.658 176.500 177.300 -0.238 0.000 1.258 250 P CA -0.387 62.533 63.100 -0.300 0.000 0.811 250 P CB 0.891 32.273 31.700 -0.530 0.000 1.063 251 N N -2.041 116.569 118.700 -0.152 0.000 2.776 251 N HA -0.147 4.593 4.740 0.000 0.000 0.250 251 N C 0.540 176.015 175.510 -0.058 0.000 1.112 251 N CA 1.683 54.691 53.050 -0.071 0.000 0.733 251 N CB -2.422 36.060 38.487 -0.008 0.000 1.097 251 N HN 0.635 nan 8.380 nan 0.000 0.558 252 T N -4.110 110.391 114.554 -0.090 0.000 3.086 252 T HA 0.364 4.715 4.350 0.000 0.000 0.250 252 T C 1.135 175.799 174.700 -0.059 0.000 1.074 252 T CA 0.143 62.185 62.100 -0.096 0.000 0.988 252 T CB 0.284 69.062 68.868 -0.149 0.000 0.988 252 T HN 0.390 nan 8.240 nan 0.000 0.530 253 G N 1.056 109.840 108.800 -0.027 0.000 2.621 253 G HA2 0.450 4.410 3.960 0.000 0.000 0.271 253 G HA3 0.450 4.410 3.960 0.000 0.000 0.271 253 G C -0.355 174.538 174.900 -0.012 0.000 1.236 253 G CA -0.721 44.374 45.100 -0.009 0.000 0.958 253 G HN 0.345 nan 8.290 nan 0.000 0.512 254 S N -0.746 114.950 115.700 -0.007 0.000 2.537 254 S HA 0.387 4.857 4.470 0.000 0.000 0.286 254 S C 1.413 176.010 174.600 -0.004 0.000 1.299 254 S CA 0.865 59.060 58.200 -0.009 0.000 1.067 254 S CB 0.756 63.952 63.200 -0.006 0.000 0.864 254 S HN 1.925 nan 8.310 nan 0.000 0.494 255 G N 2.852 111.647 108.800 -0.009 0.000 2.166 255 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 255 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 255 G C 0.363 175.263 174.900 0.000 0.000 0.986 255 G CA 0.534 45.631 45.100 -0.005 0.000 0.683 255 G HN 0.756 nan 8.290 nan 0.000 0.527 256 E N -0.764 119.435 120.200 -0.002 0.000 2.472 256 E HA 0.305 4.655 4.350 0.000 0.000 0.196 256 E C 1.828 178.431 176.600 0.005 0.000 1.033 256 E CA 0.137 56.542 56.400 0.009 0.000 0.886 256 E CB 0.217 29.921 29.700 0.007 0.000 0.944 256 E HN 0.561 nan 8.360 nan 0.000 0.492 257 R N -1.538 118.953 120.500 -0.014 0.000 2.096 257 R HA -0.162 4.178 4.340 0.000 0.000 0.161 257 R C 0.592 176.876 176.300 -0.026 0.000 0.862 257 R CA 0.881 56.966 56.100 -0.024 0.000 1.853 257 R CB -1.440 28.844 30.300 -0.027 0.000 0.810 257 R HN 0.325 nan 8.270 nan 0.000 0.653 258 G N -0.955 107.839 108.800 -0.010 0.000 2.339 258 G HA2 0.095 4.055 3.960 0.000 0.000 0.381 258 G HA3 0.095 4.055 3.960 0.000 0.000 0.381 258 G C -0.702 174.222 174.900 0.040 0.000 1.400 258 G CA -0.424 44.661 45.100 -0.025 0.000 1.002 258 G HN 0.109 nan 8.290 nan 0.000 0.633 259 T N 0.661 115.229 114.554 0.024 0.000 2.940 259 T HA 0.324 4.674 4.350 0.000 0.000 0.309 259 T C 0.622 175.447 174.700 0.208 0.000 1.056 259 T CA 0.563 62.750 62.100 0.145 0.000 1.137 259 T CB 0.568 69.506 68.868 0.115 0.000 0.976 259 T HN 0.810 nan 8.240 nan 0.000 0.547 260 H N 2.694 121.937 119.070 0.288 0.000 3.046 260 H HA 0.359 4.915 4.556 -0.000 0.000 0.303 260 H C 0.055 175.440 175.328 0.095 0.000 1.002 260 H CA -0.216 55.903 56.048 0.117 0.000 1.460 260 H CB 0.060 29.794 29.762 -0.046 0.000 1.493 260 H HN 0.415 nan 8.280 nan 0.000 0.559 261 V N 3.413 123.087 119.914 -0.400 0.000 2.919 261 V HA 0.583 4.703 4.120 0.000 0.000 0.316 261 V C -0.268 175.557 176.094 -0.448 0.000 1.077 261 V CA -1.026 61.089 62.300 -0.309 0.000 0.977 261 V CB 2.082 33.809 31.823 -0.161 0.000 1.039 261 V HN 0.890 nan 8.190 nan 0.000 0.441 262 N N -0.004 118.592 118.700 -0.173 0.000 2.732 262 N HA 0.757 5.497 4.740 0.000 0.000 0.259 262 N C -1.249 174.267 175.510 0.010 0.000 1.402 262 N CA 0.106 53.110 53.050 -0.077 0.000 0.829 262 N CB 2.371 40.873 38.487 0.023 0.000 1.495 262 N HN 1.183 nan 8.380 nan 0.000 0.511 263 V N -1.287 118.644 119.914 0.029 0.000 3.074 263 V HA 0.862 4.982 4.120 0.000 0.000 0.314 263 V C -0.078 176.036 176.094 0.034 0.000 1.117 263 V CA -0.799 61.530 62.300 0.047 0.000 1.014 263 V CB 1.241 33.094 31.823 0.051 0.000 1.057 263 V HN 0.747 nan 8.190 nan 0.000 0.438 264 S N 0.949 116.695 115.700 0.078 0.000 2.549 264 S HA 1.012 5.482 4.470 0.000 0.000 0.297 264 S C 0.008 174.566 174.600 -0.071 0.000 1.115 264 S CA 0.126 58.333 58.200 0.013 0.000 1.059 264 S CB 1.272 64.602 63.200 0.217 0.000 1.046 264 S HN 2.137 nan 8.310 nan 0.000 0.506 265 G N 0.295 108.804 108.800 -0.484 0.000 2.570 265 G HA2 0.832 4.792 3.960 0.000 0.000 0.310 265 G HA3 0.832 4.792 3.960 0.000 0.000 0.310 265 G C -1.422 173.218 174.900 -0.432 0.000 1.266 265 G CA -0.331 44.631 45.100 -0.230 0.000 0.825 265 G HN 1.621 nan 8.290 nan 0.000 0.483 266 A N -1.954 120.962 122.820 0.160 0.000 2.608 266 A HA 0.956 5.276 4.320 0.000 0.000 0.292 266 A C -0.315 177.439 177.584 0.284 0.000 1.066 266 A CA 0.298 52.483 52.037 0.247 0.000 0.676 266 A CB 1.425 20.715 19.000 0.483 0.000 1.277 266 A HN 2.280 nan 8.150 nan 0.000 0.413 267 G N -0.774 108.114 108.800 0.147 0.000 2.694 267 G HA2 0.614 4.574 3.960 0.000 0.000 0.290 267 G HA3 0.614 4.574 3.960 0.000 0.000 0.290 267 G C -1.257 173.848 174.900 0.341 0.000 1.386 267 G CA -0.544 44.551 45.100 -0.009 0.000 0.872 267 G HN 1.164 nan 8.290 nan 0.000 0.475 268 V N 1.222 121.318 119.914 0.303 0.000 2.530 268 V HA 0.244 4.364 4.120 0.000 0.000 0.282 268 V C 0.652 176.941 176.094 0.326 0.000 1.048 268 V CA -0.362 62.099 62.300 0.269 0.000 0.997 268 V CB 0.928 32.860 31.823 0.181 0.000 0.987 268 V HN 0.506 nan 8.190 nan 0.000 0.477 269 L N 4.616 125.951 121.223 0.187 0.000 2.439 269 L HA 0.215 4.555 4.340 0.000 0.000 0.269 269 L C 1.744 178.639 176.870 0.042 0.000 1.179 269 L CA -0.055 54.823 54.840 0.064 0.000 0.828 269 L CB 0.189 42.191 42.059 -0.094 0.000 1.106 269 L HN 0.670 nan 8.230 nan 0.000 0.467 270 K N 1.512 121.917 120.400 0.010 0.000 2.077 270 K HA -0.192 4.128 4.320 0.000 0.000 0.213 270 K C 0.737 177.336 176.600 -0.002 0.000 1.051 270 K CA 1.751 58.043 56.287 0.009 0.000 0.929 270 K CB 0.019 32.507 32.500 -0.020 0.000 0.715 270 K HN 0.595 nan 8.250 nan 0.000 0.451 271 N N 0.154 118.838 118.700 -0.026 0.000 2.321 271 N HA 0.102 4.842 4.740 0.000 0.000 0.242 271 N C -0.931 174.566 175.510 -0.022 0.000 1.141 271 N CA -0.003 53.034 53.050 -0.022 0.000 0.864 271 N CB 0.920 39.389 38.487 -0.030 0.000 1.100 271 N HN 0.096 nan 8.380 nan 0.000 0.510 272 A N 2.559 125.370 122.820 -0.015 0.000 2.572 272 A HA 0.024 4.344 4.320 0.000 0.000 0.256 272 A C -0.713 176.868 177.584 -0.004 0.000 1.041 272 A CA -0.434 51.595 52.037 -0.014 0.000 0.790 272 A CB 0.289 19.298 19.000 0.014 0.000 0.947 272 A HN 0.130 nan 8.150 nan 0.000 0.518 273 P HA -0.054 nan 4.420 nan 0.000 0.223 273 P C -0.028 177.276 177.300 0.007 0.000 1.151 273 P CA 0.960 64.059 63.100 -0.002 0.000 0.787 273 P CB 0.179 31.876 31.700 -0.004 0.000 0.788 274 N N 0.242 118.949 118.700 0.011 0.000 2.886 274 N HA 0.116 4.856 4.740 0.000 0.000 0.285 274 N C 1.080 176.614 175.510 0.040 0.000 1.706 274 N CA -0.250 52.815 53.050 0.024 0.000 0.904 274 N CB 0.853 39.355 38.487 0.025 0.000 1.224 274 N HN 0.098 nan 8.380 nan 0.000 0.488 275 R N 0.757 121.280 120.500 0.039 0.000 2.081 275 R HA -0.108 4.232 4.340 0.000 0.000 0.235 275 R C 0.515 176.854 176.300 0.066 0.000 1.131 275 R CA 1.527 57.658 56.100 0.051 0.000 0.960 275 R CB 0.267 30.593 30.300 0.044 0.000 0.856 275 R HN 0.134 nan 8.270 nan 0.000 0.436 276 D N 0.244 120.681 120.400 0.061 0.000 2.117 276 D HA -0.129 4.511 4.640 0.000 0.000 0.197 276 D C 1.722 178.088 176.300 0.110 0.000 0.987 276 D CA 1.592 55.635 54.000 0.071 0.000 0.829 276 D CB -0.261 40.571 40.800 0.053 0.000 0.961 276 D HN 0.392 nan 8.370 nan 0.000 0.460 277 A N 0.969 123.861 122.820 0.121 0.000 1.930 277 A HA 0.005 4.325 4.320 0.000 0.000 0.217 277 A C 2.297 180.034 177.584 0.255 0.000 1.175 277 A CA 1.992 54.157 52.037 0.214 0.000 0.627 277 A CB -0.587 18.513 19.000 0.166 0.000 0.815 277 A HN 0.228 nan 8.150 nan 0.000 0.443 278 A N 0.091 122.999 122.820 0.146 0.000 1.877 278 A HA -0.094 4.226 4.320 0.000 0.000 0.216 278 A C 2.103 179.775 177.584 0.147 0.000 1.186 278 A CA 1.565 53.675 52.037 0.121 0.000 0.620 278 A CB -0.602 18.448 19.000 0.084 0.000 0.822 278 A HN 0.486 nan 8.150 nan 0.000 0.443 279 I N -0.274 120.369 120.570 0.122 0.000 2.286 279 I HA -0.258 3.912 4.170 0.000 0.000 0.248 279 I C 2.925 179.100 176.117 0.096 0.000 1.115 279 I CA 0.964 62.317 61.300 0.088 0.000 1.392 279 I CB -0.266 37.772 38.000 0.064 0.000 1.065 279 I HN 0.357 nan 8.210 nan 0.000 0.418 280 A N 0.512 123.435 122.820 0.171 0.000 1.933 280 A HA -0.251 4.069 4.320 0.000 0.000 0.218 280 A C 2.217 179.928 177.584 0.211 0.000 1.175 280 A CA 1.386 53.572 52.037 0.249 0.000 0.628 280 A CB -0.902 18.320 19.000 0.370 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.444 281 F N 0.649 120.507 119.950 -0.152 0.000 2.102 281 F HA -0.114 4.413 4.527 -0.001 0.000 0.298 281 F C 1.924 177.497 175.800 -0.377 0.000 1.105 281 F CA 1.549 59.109 58.000 -0.732 0.000 1.239 281 F CB -0.271 38.241 39.000 -0.813 0.000 0.991 281 F HN 0.134 nan 8.300 nan 0.000 0.474 282 L N 0.063 121.178 121.223 -0.181 0.000 2.042 282 L HA -0.246 4.094 4.340 0.000 0.000 0.210 282 L C 2.367 179.137 176.870 -0.168 0.000 1.076 282 L CA 1.925 56.630 54.840 -0.225 0.000 0.749 282 L CB -0.884 41.202 42.059 0.045 0.000 0.893 282 L HN 0.215 nan 8.230 nan 0.000 0.432 283 E N -0.834 119.321 120.200 -0.074 0.000 2.110 283 E HA -0.273 4.077 4.350 0.000 0.000 0.193 283 E C 2.019 178.591 176.600 -0.046 0.000 0.988 283 E CA 1.435 57.822 56.400 -0.021 0.000 0.804 283 E CB -0.237 29.479 29.700 0.027 0.000 0.745 283 E HN 0.455 nan 8.360 nan 0.000 0.458 284 Y N 1.471 121.636 120.300 -0.225 0.000 2.181 284 Y HA -0.162 4.387 4.550 -0.001 0.000 0.288 284 Y C 1.898 177.570 175.900 -0.380 0.000 1.146 284 Y CA 1.237 59.193 58.100 -0.240 0.000 1.164 284 Y CB -0.223 38.083 38.460 -0.255 0.000 0.982 284 Y HN -0.055 nan 8.280 nan 0.000 0.515 285 L N -0.146 120.584 121.223 -0.822 0.000 2.265 285 L HA -0.187 4.153 4.340 0.000 0.000 0.215 285 L C 2.375 179.001 176.870 -0.407 0.000 1.117 285 L CA 1.140 55.399 54.840 -0.968 0.000 0.782 285 L CB -0.717 40.440 42.059 -1.503 0.000 0.914 285 L HN 0.412 nan 8.230 nan 0.000 0.441 286 A N -0.685 122.067 122.820 -0.114 0.000 2.251 286 A HA 0.045 4.365 4.320 0.000 0.000 0.209 286 A C 1.271 178.823 177.584 -0.054 0.000 1.187 286 A CA 0.302 52.384 52.037 0.075 0.000 0.823 286 A CB -0.242 18.846 19.000 0.148 0.000 0.846 286 A HN 0.421 nan 8.150 nan 0.000 0.486 287 S N -0.128 115.470 115.700 -0.169 0.000 2.585 287 S HA 0.138 4.608 4.470 0.000 0.000 0.273 287 S C 0.329 174.854 174.600 -0.125 0.000 1.339 287 S CA -0.030 58.090 58.200 -0.134 0.000 1.028 287 S CB 0.757 63.869 63.200 -0.147 0.000 0.906 287 S HN 0.275 nan 8.310 nan 0.000 0.528 288 D N 1.375 121.733 120.400 -0.069 0.000 2.123 288 D HA -0.089 4.551 4.640 0.000 0.000 0.196 288 D C 1.316 177.567 176.300 -0.082 0.000 0.992 288 D CA 1.549 55.512 54.000 -0.061 0.000 0.833 288 D CB -0.369 40.410 40.800 -0.035 0.000 0.954 288 D HN 0.661 nan 8.370 nan 0.000 0.455 289 D N -0.026 120.339 120.400 -0.059 0.000 2.084 289 D HA -0.089 4.551 4.640 0.000 0.000 0.194 289 D C 1.990 178.270 176.300 -0.034 0.000 0.990 289 D CA 1.590 55.585 54.000 -0.009 0.000 0.826 289 D CB -0.388 40.452 40.800 0.066 0.000 0.971 289 D HN 0.162 nan 8.370 nan 0.000 0.453 290 A N 0.640 123.356 122.820 -0.174 0.000 1.873 290 A HA -0.175 4.145 4.320 0.000 0.000 0.215 290 A C 2.085 179.590 177.584 -0.131 0.000 1.186 290 A CA 1.141 53.019 52.037 -0.265 0.000 0.616 290 A CB -0.481 18.006 19.000 -0.856 0.000 0.823 290 A HN 0.081 nan 8.150 nan 0.000 0.442 291 Q N -0.463 119.255 119.800 -0.135 0.000 2.096 291 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 291 Q C 2.269 178.257 176.000 -0.021 0.000 0.993 291 Q CA 2.069 57.865 55.803 -0.013 0.000 0.862 291 Q CB -0.402 28.326 28.738 -0.017 0.000 0.915 291 Q HN 0.754 nan 8.270 nan 0.000 0.416 292 R N -0.573 119.831 120.500 -0.161 0.000 2.070 292 R HA -0.174 4.166 4.340 0.000 0.000 0.233 292 R C 1.872 177.972 176.300 -0.333 0.000 1.137 292 R CA 1.601 57.497 56.100 -0.339 0.000 0.945 292 R CB -0.111 29.798 30.300 -0.651 0.000 0.845 292 R HN 0.238 nan 8.270 nan 0.000 0.430 293 Y N -1.334 118.981 120.300 0.024 0.000 2.490 293 Y HA 0.005 4.555 4.550 0.001 0.000 0.285 293 Y C 1.674 177.593 175.900 0.031 0.000 1.117 293 Y CA 0.089 58.195 58.100 0.009 0.000 1.262 293 Y CB -0.254 38.209 38.460 0.004 0.000 1.043 293 Y HN 0.072 nan 8.280 nan 0.000 0.553 294 F N 0.675 120.623 119.950 -0.003 0.000 2.113 294 F HA -0.127 4.400 4.527 0.000 0.000 0.297 294 F C 2.339 178.102 175.800 -0.062 0.000 1.103 294 F CA 1.214 59.183 58.000 -0.051 0.000 1.248 294 F CB -0.592 38.373 39.000 -0.059 0.000 0.999 294 F HN -0.018 nan 8.300 nan 0.000 0.475 295 A N -0.136 122.705 122.820 0.035 0.000 1.933 295 A HA -0.163 4.157 4.320 0.000 0.000 0.218 295 A C 2.135 179.612 177.584 -0.178 0.000 1.175 295 A CA 1.611 53.598 52.037 -0.084 0.000 0.628 295 A CB -0.722 18.276 19.000 -0.003 0.000 0.814 295 A HN 0.398 nan 8.150 nan 0.000 0.444 296 E N -0.245 119.884 120.200 -0.119 0.000 2.160 296 E HA -0.167 4.183 4.350 0.000 0.000 0.195 296 E C 2.134 178.602 176.600 -0.220 0.000 0.991 296 E CA 1.012 57.342 56.400 -0.118 0.000 0.810 296 E CB -0.688 29.021 29.700 0.015 0.000 0.742 296 E HN 0.608 nan 8.360 nan 0.000 0.466 297 G N 1.327 109.942 108.800 -0.308 0.000 2.513 297 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 297 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 297 G C 1.462 175.848 174.900 -0.856 0.000 1.160 297 G CA 1.181 45.988 45.100 -0.489 0.000 0.767 297 G HN 0.234 nan 8.290 nan 0.000 0.571 298 N N -0.070 118.088 118.700 -0.903 0.000 2.416 298 N HA 0.058 4.798 4.740 0.000 0.000 0.267 298 N C 0.136 175.348 175.510 -0.498 0.000 1.294 298 N CA -0.406 52.109 53.050 -0.891 0.000 0.891 298 N CB -0.392 37.422 38.487 -1.123 0.000 1.238 298 N HN 0.110 nan 8.380 nan 0.000 0.508 299 N N 0.473 118.972 118.700 -0.334 0.000 2.740 299 N HA -0.194 4.546 4.740 0.000 0.000 0.248 299 N C -0.930 174.450 175.510 -0.218 0.000 1.062 299 N CA 0.968 53.895 53.050 -0.204 0.000 0.704 299 N CB -1.009 37.420 38.487 -0.098 0.000 0.968 299 N HN 0.659 nan 8.380 nan 0.000 0.547 300 E N -0.868 119.173 120.200 -0.264 0.000 2.259 300 E HA 0.448 4.798 4.350 0.000 0.000 0.257 300 E C -0.413 176.056 176.600 -0.219 0.000 0.998 300 E CA -0.669 55.609 56.400 -0.203 0.000 0.866 300 E CB 0.735 30.339 29.700 -0.160 0.000 1.220 300 E HN 0.121 nan 8.360 nan 0.000 0.415 301 Y N 0.353 120.660 120.300 0.013 0.000 2.310 301 Y HA 0.259 4.810 4.550 0.001 0.000 0.326 301 Y C -2.016 173.898 175.900 0.024 0.000 1.151 301 Y CA -2.403 55.707 58.100 0.017 0.000 1.195 301 Y CB 0.434 38.908 38.460 0.023 0.000 1.210 301 Y HN 0.288 nan 8.280 nan 0.000 0.483 302 P HA -0.084 nan 4.420 nan 0.000 0.269 302 P C 0.708 178.085 177.300 0.128 0.000 1.217 302 P CA 0.152 63.332 63.100 0.135 0.000 0.783 302 P CB 0.704 32.449 31.700 0.075 0.000 0.898 303 V N -0.393 119.587 119.914 0.109 0.000 3.052 303 V HA 0.067 4.187 4.120 0.000 0.000 0.254 303 V C 0.891 176.997 176.094 0.021 0.000 1.100 303 V CA 1.042 63.373 62.300 0.052 0.000 1.112 303 V CB -0.649 31.188 31.823 0.024 0.000 0.738 303 V HN 0.252 nan 8.190 nan 0.000 0.469 304 I N 2.939 123.527 120.570 0.030 0.000 2.337 304 I HA 0.442 4.612 4.170 0.000 0.000 0.291 304 I C -2.391 173.726 176.117 0.001 0.000 1.046 304 I CA -2.904 58.400 61.300 0.007 0.000 1.324 304 I CB 0.304 38.307 38.000 0.005 0.000 1.409 304 I HN 0.181 nan 8.210 nan 0.000 0.494 305 P HA 0.252 nan 4.420 nan 0.000 0.269 305 P C 0.919 178.211 177.300 -0.013 0.000 1.209 305 P CA 0.397 63.488 63.100 -0.015 0.000 0.776 305 P CB 0.777 32.462 31.700 -0.025 0.000 0.876 306 G N 0.660 109.453 108.800 -0.012 0.000 2.284 306 G HA2 -0.238 3.722 3.960 0.000 0.000 0.247 306 G HA3 -0.238 3.722 3.960 0.000 0.000 0.247 306 G C 0.107 174.997 174.900 -0.017 0.000 1.012 306 G CA -0.027 45.065 45.100 -0.013 0.000 0.618 306 G HN 0.556 nan 8.290 nan 0.000 0.521 307 V N 3.426 123.329 119.914 -0.018 0.000 2.529 307 V HA 0.343 4.463 4.120 0.000 0.000 0.292 307 V C -1.208 174.863 176.094 -0.038 0.000 1.028 307 V CA -0.760 61.517 62.300 -0.037 0.000 1.074 307 V CB 0.887 32.688 31.823 -0.037 0.000 0.958 307 V HN 0.219 nan 8.190 nan 0.000 0.481 308 P HA 0.128 nan 4.420 nan 0.000 0.264 308 P C -0.343 176.925 177.300 -0.053 0.000 1.183 308 P CA 0.298 63.366 63.100 -0.053 0.000 0.763 308 P CB 0.334 31.990 31.700 -0.074 0.000 0.807 309 I N 1.891 122.452 120.570 -0.015 0.000 2.428 309 I HA 0.138 4.308 4.170 0.000 0.000 0.296 309 I C 1.044 177.142 176.117 -0.032 0.000 0.985 309 I CA -0.689 60.603 61.300 -0.013 0.000 1.260 309 I CB 0.647 38.680 38.000 0.055 0.000 1.389 309 I HN 0.356 nan 8.210 nan 0.000 0.484 310 D N 7.461 127.824 120.400 -0.062 0.000 2.658 310 D HA -0.066 4.574 4.640 0.000 0.000 0.230 310 D C -1.702 174.591 176.300 -0.011 0.000 1.118 310 D CA -0.729 53.246 54.000 -0.042 0.000 0.848 310 D CB 1.345 42.106 40.800 -0.065 0.000 1.160 310 D HN 0.226 nan 8.370 nan 0.000 0.497 311 P HA -0.152 nan 4.420 nan 0.000 0.216 311 P C 1.608 178.924 177.300 0.028 0.000 1.150 311 P CA 0.522 63.632 63.100 0.016 0.000 0.837 311 P CB 0.240 31.948 31.700 0.014 0.000 0.786 312 V N -0.575 119.359 119.914 0.034 0.000 2.358 312 V HA -0.199 3.921 4.120 0.000 0.000 0.246 312 V C 2.401 178.581 176.094 0.143 0.000 1.047 312 V CA 1.455 63.793 62.300 0.062 0.000 1.035 312 V CB -1.245 30.618 31.823 0.066 0.000 0.658 312 V HN 0.051 nan 8.190 nan 0.000 0.452 313 L N 1.128 122.422 121.223 0.118 0.000 2.017 313 L HA -0.043 4.297 4.340 0.000 0.000 0.208 313 L C 2.459 179.458 176.870 0.214 0.000 1.073 313 L CA 2.348 57.286 54.840 0.162 0.000 0.745 313 L CB -0.985 41.019 42.059 -0.092 0.000 0.894 313 L HN 0.215 nan 8.230 nan 0.000 0.432 314 A N -0.520 122.370 122.820 0.116 0.000 2.019 314 A HA -0.084 4.236 4.320 0.000 0.000 0.219 314 A C 2.365 180.019 177.584 0.118 0.000 1.164 314 A CA 1.515 53.628 52.037 0.127 0.000 0.644 314 A CB -1.075 17.967 19.000 0.071 0.000 0.805 314 A HN 0.569 nan 8.150 nan 0.000 0.449 315 A N -1.504 121.353 122.820 0.061 0.000 2.172 315 A HA -0.125 4.195 4.320 0.000 0.000 0.216 315 A C 1.773 179.322 177.584 -0.058 0.000 1.154 315 A CA 1.136 53.160 52.037 -0.022 0.000 0.701 315 A CB -0.805 18.143 19.000 -0.087 0.000 0.789 315 A HN 0.674 nan 8.150 nan 0.000 0.465 316 H N -0.572 118.606 119.070 0.179 0.000 2.547 316 H HA 0.268 4.824 4.556 -0.000 0.000 0.272 316 H C 1.260 176.777 175.328 0.315 0.000 0.989 316 H CA 0.968 57.166 56.048 0.251 0.000 1.214 316 H CB 0.119 30.060 29.762 0.297 0.000 1.389 316 H HN 0.628 nan 8.280 nan 0.000 0.577 317 G N 0.511 109.478 108.800 0.278 0.000 2.381 317 G HA2 -0.158 3.802 3.960 0.000 0.000 0.672 317 G HA3 -0.158 3.802 3.960 0.000 0.000 0.672 317 G C -0.887 174.007 174.900 -0.010 0.000 1.324 317 G CA -0.683 44.483 45.100 0.111 0.000 0.975 317 G HN 0.282 nan 8.290 nan 0.000 0.593 318 Q N -0.616 119.117 119.800 -0.113 0.000 2.311 318 Q HA 0.431 4.771 4.340 0.000 0.000 0.272 318 Q C 0.196 175.950 176.000 -0.410 0.000 1.012 318 Q CA -0.630 55.066 55.803 -0.178 0.000 0.891 318 Q CB 0.869 29.520 28.738 -0.146 0.000 1.201 318 Q HN 0.984 nan 8.270 nan 0.000 0.391 319 L N 4.461 125.427 121.223 -0.428 0.000 2.360 319 L HA 0.193 4.533 4.340 0.000 0.000 0.276 319 L C -1.058 175.543 176.870 -0.448 0.000 1.121 319 L CA 0.669 55.124 54.840 -0.642 0.000 0.845 319 L CB 0.481 42.029 42.059 -0.851 0.000 1.143 319 L HN 0.563 nan 8.230 nan 0.000 0.452 320 K N 5.150 125.291 120.400 -0.432 0.000 2.484 320 K HA 0.488 4.808 4.320 0.000 0.000 0.226 320 K C 0.092 176.563 176.600 -0.214 0.000 1.031 320 K CA -0.333 55.790 56.287 -0.272 0.000 1.026 320 K CB 1.042 33.402 32.500 -0.232 0.000 1.412 320 K HN 0.828 nan 8.250 nan 0.000 0.492 321 G N 1.129 109.811 108.800 -0.196 0.000 2.444 321 G HA2 -0.001 3.959 3.960 0.000 0.000 0.268 321 G HA3 -0.001 3.959 3.960 0.000 0.000 0.268 321 G C -0.513 174.330 174.900 -0.095 0.000 1.203 321 G CA -0.399 44.614 45.100 -0.144 0.000 0.835 321 G HN 0.474 nan 8.290 nan 0.000 0.543 322 D N 1.716 122.082 120.400 -0.057 0.000 2.487 322 D HA 0.016 4.656 4.640 0.000 0.000 0.243 322 D C -0.892 175.373 176.300 -0.059 0.000 1.154 322 D CA -1.304 52.672 54.000 -0.040 0.000 0.876 322 D CB 1.614 42.414 40.800 -0.000 0.000 1.161 322 D HN 0.131 nan 8.370 nan 0.000 0.478 323 P HA 0.007 nan 4.420 nan 0.000 0.245 323 P C 0.708 177.977 177.300 -0.053 0.000 1.212 323 P CA -0.338 62.727 63.100 -0.059 0.000 0.774 323 P CB 0.125 31.792 31.700 -0.056 0.000 0.999 324 L N 1.557 122.753 121.223 -0.045 0.000 2.559 324 L HA 0.023 4.363 4.340 0.000 0.000 0.282 324 L C 0.561 177.411 176.870 -0.034 0.000 1.232 324 L CA 0.240 55.059 54.840 -0.035 0.000 0.885 324 L CB -0.495 41.553 42.059 -0.019 0.000 1.131 324 L HN -0.057 nan 8.230 nan 0.000 0.498 325 N N 3.193 121.871 118.700 -0.037 0.000 2.483 325 N HA -0.025 4.715 4.740 0.000 0.000 0.264 325 N C 1.078 176.586 175.510 -0.004 0.000 1.197 325 N CA 0.411 53.431 53.050 -0.050 0.000 0.927 325 N CB 1.222 39.652 38.487 -0.095 0.000 1.065 325 N HN 0.664 nan 8.380 nan 0.000 0.461 326 V N 1.660 121.594 119.914 0.035 0.000 3.078 326 V HA -0.140 3.980 4.120 0.000 0.000 0.265 326 V C 2.218 178.458 176.094 0.243 0.000 1.122 326 V CA 1.611 63.988 62.300 0.128 0.000 1.141 326 V CB -1.073 30.843 31.823 0.154 0.000 0.735 326 V HN 0.723 nan 8.190 nan 0.000 0.498 327 S N 0.920 116.731 115.700 0.184 0.000 2.419 327 S HA -0.241 4.229 4.470 0.000 0.000 0.235 327 S C 1.786 176.457 174.600 0.117 0.000 1.019 327 S CA 1.642 59.967 58.200 0.209 0.000 0.982 327 S CB -1.038 62.057 63.200 -0.176 0.000 0.789 327 S HN 0.705 nan 8.310 nan 0.000 0.490 328 N N 1.285 120.026 118.700 0.067 0.000 2.309 328 N HA 0.010 4.750 4.740 0.000 0.000 0.182 328 N C 1.293 176.859 175.510 0.094 0.000 1.018 328 N CA 0.969 54.069 53.050 0.083 0.000 0.876 328 N CB -0.418 38.156 38.487 0.145 0.000 0.972 328 N HN 0.317 nan 8.380 nan 0.000 0.434 329 L N 0.632 121.910 121.223 0.092 0.000 2.083 329 L HA -0.061 4.279 4.340 0.000 0.000 0.209 329 L C 2.451 179.261 176.870 -0.100 0.000 1.083 329 L CA 1.411 56.290 54.840 0.064 0.000 0.752 329 L CB -1.321 40.808 42.059 0.118 0.000 0.899 329 L HN 0.132 nan 8.230 nan 0.000 0.433 330 G N -1.525 107.171 108.800 -0.172 0.000 2.411 330 G HA2 -0.196 3.764 3.960 0.000 0.000 0.213 330 G HA3 -0.196 3.764 3.960 0.000 0.000 0.213 330 G C 1.809 175.904 174.900 -1.342 0.000 1.166 330 G CA 0.440 45.134 45.100 -0.677 0.000 0.802 330 G HN 0.275 nan 8.290 nan 0.000 0.533 331 R N -0.636 119.474 120.500 -0.650 0.000 2.103 331 R HA -0.128 4.212 4.340 0.000 0.000 0.242 331 R C 1.334 177.201 176.300 -0.722 0.000 1.142 331 R CA 1.370 57.122 56.100 -0.581 0.000 0.960 331 R CB -0.334 29.652 30.300 -0.524 0.000 0.858 331 R HN 0.438 nan 8.270 nan 0.000 0.439 332 Y N 0.378 120.504 120.300 -0.291 0.000 2.532 332 Y HA 0.142 4.692 4.550 -0.000 0.000 0.283 332 Y C 1.915 177.653 175.900 -0.272 0.000 1.181 332 Y CA -0.145 57.830 58.100 -0.208 0.000 1.256 332 Y CB -0.031 38.362 38.460 -0.112 0.000 1.112 332 Y HN 0.223 nan 8.280 nan 0.000 0.521 333 Q N 1.056 120.598 119.800 -0.430 0.000 2.050 333 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 333 Q C -0.784 175.090 176.000 -0.209 0.000 0.980 333 Q CA 1.786 57.354 55.803 -0.392 0.000 0.840 333 Q CB -0.605 27.728 28.738 -0.675 0.000 0.898 333 Q HN 0.297 nan 8.270 nan 0.000 0.424 334 P HA -0.127 nan 4.420 nan 0.000 0.216 334 P C 0.365 177.671 177.300 0.010 0.000 1.153 334 P CA 1.409 64.504 63.100 -0.008 0.000 0.848 334 P CB -0.056 31.687 31.700 0.072 0.000 0.787 335 D N -1.220 119.199 120.400 0.031 0.000 2.144 335 D HA -0.079 4.561 4.640 0.000 0.000 0.200 335 D C 2.019 178.341 176.300 0.036 0.000 0.978 335 D CA 1.143 55.181 54.000 0.064 0.000 0.833 335 D CB -0.552 40.330 40.800 0.137 0.000 0.961 335 D HN 0.089 nan 8.370 nan 0.000 0.470 336 S N 0.514 116.221 115.700 0.012 0.000 2.355 336 S HA -0.105 4.365 4.470 0.000 0.000 0.222 336 S C 2.133 176.703 174.600 -0.050 0.000 1.031 336 S CA 1.050 59.242 58.200 -0.013 0.000 0.993 336 S CB -0.183 62.995 63.200 -0.038 0.000 0.859 336 S HN 0.353 nan 8.310 nan 0.000 0.453 337 A N 2.017 124.802 122.820 -0.058 0.000 1.883 337 A HA -0.177 4.143 4.320 0.000 0.000 0.217 337 A C 2.073 179.638 177.584 -0.032 0.000 1.186 337 A CA 1.873 53.871 52.037 -0.065 0.000 0.624 337 A CB -0.636 18.340 19.000 -0.040 0.000 0.822 337 A HN 0.470 nan 8.150 nan 0.000 0.444 338 R N -0.329 120.170 120.500 -0.003 0.000 2.083 338 R HA -0.104 4.236 4.340 0.000 0.000 0.237 338 R C 2.015 178.327 176.300 0.019 0.000 1.137 338 R CA 1.823 57.931 56.100 0.015 0.000 0.951 338 R CB -0.432 29.885 30.300 0.029 0.000 0.851 338 R HN 0.515 nan 8.270 nan 0.000 0.434 339 L N 0.034 121.272 121.223 0.025 0.000 2.056 339 L HA -0.156 4.184 4.340 0.000 0.000 0.207 339 L C 2.736 179.633 176.870 0.046 0.000 1.078 339 L CA 1.347 56.212 54.840 0.041 0.000 0.749 339 L CB -0.319 41.776 42.059 0.061 0.000 0.901 339 L HN 0.337 nan 8.230 nan 0.000 0.433 340 M N -0.570 119.041 119.600 0.020 0.000 2.159 340 M HA -0.206 4.274 4.480 0.000 0.000 0.263 340 M C 1.985 178.327 176.300 0.071 0.000 1.063 340 M CA 1.588 56.911 55.300 0.039 0.000 1.110 340 M CB -0.449 32.032 32.600 -0.199 0.000 1.374 340 M HN 0.328 nan 8.290 nan 0.000 0.411 341 N N 0.237 118.950 118.700 0.022 0.000 2.216 341 N HA -0.129 4.611 4.740 0.000 0.000 0.183 341 N C 1.913 177.451 175.510 0.047 0.000 1.017 341 N CA 1.708 54.781 53.050 0.039 0.000 0.861 341 N CB -0.217 38.279 38.487 0.015 0.000 0.986 341 N HN 0.471 nan 8.380 nan 0.000 0.428 342 E N 1.105 121.327 120.200 0.037 0.000 2.097 342 E HA -0.132 4.218 4.350 0.000 0.000 0.196 342 E C 2.053 178.669 176.600 0.028 0.000 1.000 342 E CA 1.781 58.199 56.400 0.030 0.000 0.804 342 E CB -1.017 28.700 29.700 0.028 0.000 0.740 342 E HN 0.325 nan 8.360 nan 0.000 0.454 343 V N -3.379 116.556 119.914 0.035 0.000 3.649 343 V HA 0.580 4.700 4.120 0.000 0.000 0.275 343 V C 1.791 177.890 176.094 0.009 0.000 1.281 343 V CA 0.998 63.302 62.300 0.008 0.000 1.143 343 V CB -0.475 31.337 31.823 -0.019 0.000 0.892 343 V HN 1.306 nan 8.190 nan 0.000 0.441 344 G N -1.130 107.706 108.800 0.060 0.000 2.142 344 G HA2 -0.280 3.680 3.960 0.000 0.000 0.225 344 G HA3 -0.280 3.680 3.960 0.000 0.000 0.225 344 G C -0.332 174.672 174.900 0.172 0.000 1.015 344 G CA 0.069 45.216 45.100 0.078 0.000 0.716 344 G HN 0.803 nan 8.290 nan 0.000 0.508 345 W N 2.959 124.265 121.300 0.010 0.000 2.481 345 W HA 0.585 5.245 4.660 -0.001 0.000 0.320 345 W C 0.523 177.107 176.519 0.109 0.000 1.209 345 W CA -0.865 56.555 57.345 0.124 0.000 1.400 345 W CB -0.020 29.503 29.460 0.105 0.000 1.361 345 W HN 0.455 nan 8.180 nan 0.000 0.456 346 Q N 0.000 120.108 119.800 0.513 0.000 2.315 346 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 346 Q CA 0.000 55.972 55.803 0.281 0.000 1.022 346 Q CB 0.000 28.852 28.738 0.191 0.000 1.108 346 Q HN 0.000 nan 8.270 nan 0.000 0.481