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 2ih2_1_D DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTAYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.038 176.094 -0.094 0.000 1.182 21 V CA 0.000 62.214 62.300 -0.143 0.000 1.235 21 V CB 0.000 31.668 31.823 -0.259 0.000 1.184 22 E N 1.487 121.666 120.200 -0.034 0.000 2.299 22 E HA 0.701 5.052 4.350 0.001 0.000 0.260 22 E C -0.616 176.054 176.600 0.118 0.000 0.944 22 E CA -0.701 55.721 56.400 0.037 0.000 0.815 22 E CB 2.369 32.101 29.700 0.054 0.000 1.252 22 E HN 0.581 nan 8.360 nan 0.000 0.418 23 T N 2.425 117.064 114.554 0.143 0.000 2.794 23 T HA 0.421 4.772 4.350 0.001 0.000 0.280 23 T C -2.386 172.370 174.700 0.093 0.000 0.987 23 T CA -1.445 60.796 62.100 0.235 0.000 0.993 23 T CB 1.195 70.206 68.868 0.238 0.000 0.939 23 T HN 0.092 nan 8.240 nan 0.000 0.449 24 P HA 0.156 nan 4.420 nan 0.000 0.266 24 P C -1.875 175.422 177.300 -0.005 0.000 1.195 24 P CA -1.278 61.828 63.100 0.010 0.000 0.768 24 P CB 0.165 31.846 31.700 -0.032 0.000 0.838 25 P HA -0.193 nan 4.420 nan 0.000 0.216 25 P C 1.084 178.384 177.300 -0.002 0.000 1.150 25 P CA 1.455 64.535 63.100 -0.034 0.000 0.843 25 P CB 0.091 31.772 31.700 -0.032 0.000 0.787 26 E N -0.740 119.471 120.200 0.017 0.000 2.110 26 E HA -0.117 4.234 4.350 0.001 0.000 0.193 26 E C 2.003 178.757 176.600 0.256 0.000 0.988 26 E CA 0.948 57.379 56.400 0.051 0.000 0.804 26 E CB -1.128 28.538 29.700 -0.057 0.000 0.745 26 E HN 0.058 nan 8.360 nan 0.000 0.458 27 V N -0.041 120.022 119.914 0.248 0.000 2.379 27 V HA -0.192 3.928 4.120 0.001 0.000 0.245 27 V C 2.195 178.421 176.094 0.221 0.000 1.044 27 V CA 1.134 63.591 62.300 0.261 0.000 1.036 27 V CB -0.370 31.485 31.823 0.053 0.000 0.664 27 V HN 0.131 nan 8.190 nan 0.000 0.453 28 V N 0.680 120.634 119.914 0.067 0.000 2.287 28 V HA -0.336 3.784 4.120 0.001 0.000 0.248 28 V C 2.462 178.587 176.094 0.051 0.000 1.053 28 V CA 2.489 64.742 62.300 -0.077 0.000 1.027 28 V CB -0.741 30.847 31.823 -0.392 0.000 0.646 28 V HN 0.701 nan 8.190 nan 0.000 0.447 29 D N -0.469 119.975 120.400 0.073 0.000 2.116 29 D HA -0.257 4.384 4.640 0.001 0.000 0.193 29 D C 2.122 178.524 176.300 0.170 0.000 0.998 29 D CA 1.824 55.881 54.000 0.095 0.000 0.836 29 D CB -0.093 40.750 40.800 0.071 0.000 0.951 29 D HN 0.403 nan 8.370 nan 0.000 0.449 30 F N 1.194 121.198 119.950 0.090 0.000 2.102 30 F HA -0.097 4.431 4.527 0.001 0.000 0.298 30 F C 2.499 178.310 175.800 0.018 0.000 1.105 30 F CA 1.299 59.344 58.000 0.076 0.000 1.239 30 F CB -0.586 38.524 39.000 0.183 0.000 0.991 30 F HN -0.085 nan 8.300 nan 0.000 0.474 31 M N -0.617 118.907 119.600 -0.127 0.000 2.117 31 M HA -0.192 4.289 4.480 0.001 0.000 0.262 31 M C 2.054 178.325 176.300 -0.048 0.000 1.065 31 M CA 1.498 56.684 55.300 -0.190 0.000 1.114 31 M CB -0.566 32.123 32.600 0.148 0.000 1.361 31 M HN 0.030 nan 8.290 nan 0.000 0.408 32 V N 0.182 120.161 119.914 0.108 0.000 2.490 32 V HA -0.233 3.888 4.120 0.001 0.000 0.250 32 V C 2.520 178.722 176.094 0.181 0.000 1.061 32 V CA 2.060 64.491 62.300 0.219 0.000 1.064 32 V CB -0.896 31.070 31.823 0.239 0.000 0.670 32 V HN 0.637 nan 8.190 nan 0.000 0.461 33 S N -0.135 115.591 115.700 0.043 0.000 2.419 33 S HA -0.092 4.378 4.470 0.001 0.000 0.233 33 S C 1.786 176.350 174.600 -0.060 0.000 1.016 33 S CA 1.375 59.581 58.200 0.010 0.000 0.974 33 S CB -0.449 62.758 63.200 0.012 0.000 0.786 33 S HN 0.566 nan 8.310 nan 0.000 0.492 34 L N 0.761 121.863 121.223 -0.202 0.000 2.477 34 L HA 0.389 4.729 4.340 0.001 0.000 0.220 34 L C 1.374 178.185 176.870 -0.098 0.000 1.106 34 L CA 0.150 54.836 54.840 -0.256 0.000 0.851 34 L CB -0.409 41.321 42.059 -0.549 0.000 0.994 34 L HN 0.362 nan 8.230 nan 0.000 0.462 35 A N 1.296 124.113 122.820 -0.005 0.000 2.316 35 A HA 0.523 4.844 4.320 0.001 0.000 0.284 35 A C -0.065 177.556 177.584 0.062 0.000 1.115 35 A CA -0.196 51.865 52.037 0.040 0.000 0.812 35 A CB 0.417 19.491 19.000 0.123 0.000 1.064 35 A HN 0.328 nan 8.150 nan 0.000 0.489 36 E N -0.044 120.177 120.200 0.035 0.000 2.390 36 E HA 0.701 5.051 4.350 0.001 0.000 0.280 36 E C -1.189 175.433 176.600 0.037 0.000 0.992 36 E CA -0.816 55.617 56.400 0.056 0.000 0.790 36 E CB 1.732 31.474 29.700 0.070 0.000 1.248 36 E HN 1.269 nan 8.360 nan 0.000 0.447 37 A N 1.918 124.815 122.820 0.129 0.000 2.594 37 A HA 0.693 5.013 4.320 0.001 0.000 0.295 37 A C -2.780 174.966 177.584 0.271 0.000 1.071 37 A CA -1.261 50.856 52.037 0.133 0.000 0.685 37 A CB 1.289 20.300 19.000 0.018 0.000 1.285 37 A HN 0.565 nan 8.150 nan 0.000 0.405 38 P HA 0.214 nan 4.420 nan 0.000 0.270 38 P C -0.276 177.106 177.300 0.136 0.000 1.223 38 P CA -0.330 62.851 63.100 0.135 0.000 0.785 38 P CB 0.442 32.184 31.700 0.070 0.000 0.923 39 R N 0.500 121.010 120.500 0.017 0.000 2.538 39 R HA 0.258 4.598 4.340 0.001 0.000 0.282 39 R C 1.341 177.573 176.300 -0.115 0.000 1.009 39 R CA 1.399 57.411 56.100 -0.147 0.000 1.063 39 R CB -0.700 29.527 30.300 -0.121 0.000 0.945 39 R HN 0.853 nan 8.270 nan 0.000 0.414 40 G N 2.309 110.988 108.800 -0.201 0.000 2.184 40 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 40 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 40 G C 0.435 175.336 174.900 0.001 0.000 0.975 40 G CA 0.008 45.056 45.100 -0.087 0.000 0.642 40 G HN 0.968 nan 8.290 nan 0.000 0.536 41 G N -0.373 108.481 108.800 0.089 0.000 2.554 41 G HA2 0.449 4.410 3.960 0.001 0.000 0.238 41 G HA3 0.449 4.410 3.960 0.001 0.000 0.238 41 G C 0.224 175.173 174.900 0.083 0.000 1.259 41 G CA -0.310 44.860 45.100 0.118 0.000 0.843 41 G HN 0.571 nan 8.290 nan 0.000 0.582 42 R N -0.009 120.516 120.500 0.042 0.000 2.221 42 R HA 0.399 4.739 4.340 0.001 0.000 0.327 42 R C -0.717 175.691 176.300 0.179 0.000 1.033 42 R CA -0.401 55.749 56.100 0.084 0.000 0.887 42 R CB 1.556 31.823 30.300 -0.055 0.000 1.057 42 R HN 0.238 nan 8.270 nan 0.000 0.455 43 V N 5.321 125.275 119.914 0.066 0.000 2.409 43 V HA 0.360 4.480 4.120 0.001 0.000 0.291 43 V C -0.896 175.203 176.094 0.008 0.000 1.020 43 V CA -0.860 61.367 62.300 -0.122 0.000 0.848 43 V CB 1.637 33.123 31.823 -0.562 0.000 0.990 43 V HN 0.475 nan 8.190 nan 0.000 0.430 44 L N 4.200 125.353 121.223 -0.116 0.000 2.362 44 L HA 0.632 4.972 4.340 0.001 0.000 0.275 44 L C -0.345 176.419 176.870 -0.177 0.000 0.998 44 L CA -0.095 54.596 54.840 -0.248 0.000 0.820 44 L CB 1.869 43.478 42.059 -0.750 0.000 1.270 44 L HN 0.787 nan 8.230 nan 0.000 0.415 45 E N 6.528 126.649 120.200 -0.132 0.000 2.073 45 E HA 0.473 4.823 4.350 0.001 0.000 0.269 45 E C -2.519 173.927 176.600 -0.257 0.000 0.917 45 E CA -2.159 54.150 56.400 -0.152 0.000 0.757 45 E CB 1.247 30.920 29.700 -0.045 0.000 1.111 45 E HN 0.424 nan 8.360 nan 0.000 0.410 46 P HA 0.126 nan 4.420 nan 0.000 0.274 46 P C -0.801 176.285 177.300 -0.356 0.000 1.231 46 P CA 0.097 62.843 63.100 -0.590 0.000 0.790 46 P CB 1.142 32.178 31.700 -1.108 0.000 0.951 47 A N 1.274 123.971 122.820 -0.205 0.000 2.687 47 A HA -0.240 4.080 4.320 0.001 0.000 0.299 47 A C 1.390 178.873 177.584 -0.169 0.000 1.497 47 A CA 1.002 52.954 52.037 -0.142 0.000 0.751 47 A CB -2.410 16.431 19.000 -0.265 0.000 1.048 47 A HN 0.796 nan 8.150 nan 0.000 0.464 48 C N -2.751 116.462 119.300 -0.145 0.000 2.495 48 C HA 0.481 4.941 4.460 0.001 0.000 0.275 48 C C 2.328 177.250 174.990 -0.113 0.000 1.392 48 C CA 0.708 59.650 59.018 -0.128 0.000 1.766 48 C CB -1.266 26.401 27.740 -0.121 0.000 1.933 48 C HN 2.643 nan 8.230 nan 0.000 0.519 49 A N 2.568 125.344 122.820 -0.073 0.000 5.251 49 A HA -0.400 3.920 4.320 0.001 0.000 0.334 49 A C 1.597 179.179 177.584 -0.003 0.000 1.764 49 A CA 2.396 54.425 52.037 -0.012 0.000 0.708 49 A CB -2.338 16.694 19.000 0.054 0.000 1.420 49 A HN 1.229 nan 8.150 nan 0.000 0.394 50 H N 1.552 120.591 119.070 -0.052 0.000 2.547 50 H HA 0.376 4.932 4.556 0.001 0.000 0.266 50 H C 1.273 176.563 175.328 -0.064 0.000 0.988 50 H CA 1.290 57.300 56.048 -0.064 0.000 1.147 50 H CB -0.867 28.860 29.762 -0.058 0.000 1.365 50 H HN 2.487 nan 8.280 nan 0.000 0.589 51 G N 2.626 111.187 108.800 -0.398 0.000 2.291 51 G HA2 -0.204 3.756 3.960 0.001 0.000 0.271 51 G HA3 -0.204 3.756 3.960 0.001 0.000 0.271 51 G C -1.399 173.354 174.900 -0.245 0.000 1.099 51 G CA 0.033 44.991 45.100 -0.237 0.000 0.919 51 G HN 0.431 nan 8.290 nan 0.000 0.496 52 P HA -0.066 nan 4.420 nan 0.000 0.218 52 P C 1.565 178.757 177.300 -0.179 0.000 1.149 52 P CA 0.846 63.763 63.100 -0.305 0.000 0.817 52 P CB -0.027 31.450 31.700 -0.370 0.000 0.785 53 F N -0.202 119.719 119.950 -0.048 0.000 2.206 53 F HA -0.029 4.498 4.527 0.001 0.000 0.298 53 F C 2.613 178.498 175.800 0.142 0.000 1.090 53 F CA 0.913 58.940 58.000 0.045 0.000 1.323 53 F CB -1.169 37.838 39.000 0.012 0.000 1.028 53 F HN -0.272 nan 8.300 nan 0.000 0.492 54 L N -0.310 121.101 121.223 0.314 0.000 2.012 54 L HA -0.233 4.107 4.340 0.001 0.000 0.210 54 L C 2.532 179.616 176.870 0.357 0.000 1.073 54 L CA 1.492 56.562 54.840 0.383 0.000 0.748 54 L CB -0.679 41.581 42.059 0.335 0.000 0.891 54 L HN 0.065 nan 8.230 nan 0.000 0.431 55 R N -0.013 120.657 120.500 0.284 0.000 2.073 55 R HA -0.128 4.212 4.340 0.001 0.000 0.234 55 R C 2.461 178.848 176.300 0.145 0.000 1.134 55 R CA 1.412 57.674 56.100 0.270 0.000 0.952 55 R CB -0.548 29.859 30.300 0.178 0.000 0.850 55 R HN 0.357 nan 8.270 nan 0.000 0.433 56 A N 0.582 123.472 122.820 0.117 0.000 1.930 56 A HA -0.166 4.154 4.320 0.001 0.000 0.217 56 A C 1.975 179.654 177.584 0.159 0.000 1.175 56 A CA 0.973 53.059 52.037 0.082 0.000 0.627 56 A CB -0.585 18.421 19.000 0.010 0.000 0.815 56 A HN 0.346 nan 8.150 nan 0.000 0.443 57 F N 0.371 120.407 119.950 0.143 0.000 2.102 57 F HA -0.141 4.386 4.527 0.001 0.000 0.298 57 F C 2.399 178.328 175.800 0.216 0.000 1.105 57 F CA 2.044 60.177 58.000 0.221 0.000 1.239 57 F CB -0.163 38.958 39.000 0.202 0.000 0.991 57 F HN 0.179 nan 8.300 nan 0.000 0.474 58 R N 0.359 120.985 120.500 0.211 0.000 2.081 58 R HA -0.204 4.136 4.340 0.001 0.000 0.235 58 R C 2.360 178.608 176.300 -0.087 0.000 1.131 58 R CA 1.813 57.895 56.100 -0.030 0.000 0.960 58 R CB -0.483 29.383 30.300 -0.724 0.000 0.856 58 R HN 0.466 nan 8.270 nan 0.000 0.436 59 E N -0.409 119.744 120.200 -0.078 0.000 2.077 59 E HA -0.199 4.152 4.350 0.001 0.000 0.193 59 E C 1.593 178.129 176.600 -0.106 0.000 0.989 59 E CA 1.368 57.721 56.400 -0.078 0.000 0.800 59 E CB -0.054 29.620 29.700 -0.043 0.000 0.746 59 E HN 0.477 nan 8.360 nan 0.000 0.452 60 A N -0.351 122.381 122.820 -0.145 0.000 1.975 60 A HA -0.062 4.258 4.320 0.001 0.000 0.215 60 A C 1.590 178.894 177.584 -0.467 0.000 1.170 60 A CA 0.996 52.850 52.037 -0.304 0.000 0.656 60 A CB -0.173 18.614 19.000 -0.355 0.000 0.821 60 A HN 0.359 nan 8.150 nan 0.000 0.449 61 H N -1.714 117.174 119.070 -0.302 0.000 3.046 61 H HA 0.351 4.907 4.556 0.001 0.000 0.262 61 H C 1.142 176.504 175.328 0.057 0.000 1.044 61 H CA 0.569 56.464 56.048 -0.255 0.000 1.209 61 H CB 0.802 30.096 29.762 -0.782 0.000 1.507 61 H HN 0.630 nan 8.280 nan 0.000 0.507 62 G N 0.858 109.752 108.800 0.157 0.000 2.549 62 G HA2 -0.286 3.674 3.960 0.001 0.000 0.404 62 G HA3 -0.286 3.674 3.960 0.001 0.000 0.404 62 G C 0.818 175.903 174.900 0.309 0.000 1.292 62 G CA 0.073 45.270 45.100 0.162 0.000 0.935 62 G HN 0.245 nan 8.290 nan 0.000 0.512 63 T N -2.441 112.207 114.554 0.157 0.000 3.040 63 T HA 0.577 4.927 4.350 0.001 0.000 0.250 63 T C 1.495 176.299 174.700 0.173 0.000 1.058 63 T CA 1.440 63.643 62.100 0.172 0.000 0.988 63 T CB 0.532 69.401 68.868 0.002 0.000 0.993 63 T HN 2.113 nan 8.240 nan 0.000 0.519 64 A N 1.236 124.007 122.820 -0.081 0.000 3.077 64 A HA 0.606 4.927 4.320 0.001 0.000 0.255 64 A C -0.899 176.285 177.584 -0.667 0.000 1.728 64 A CA -0.548 51.306 52.037 -0.304 0.000 1.383 64 A CB -1.109 17.693 19.000 -0.331 0.000 1.097 64 A HN 0.622 nan 8.150 nan 0.000 0.634 65 Y N -1.790 118.514 120.300 0.008 0.000 2.638 65 Y HA 0.486 5.036 4.550 0.001 0.000 0.335 65 Y C 0.079 175.846 175.900 -0.223 0.000 1.155 65 Y CA -1.114 56.862 58.100 -0.206 0.000 1.046 65 Y CB 1.356 39.492 38.460 -0.541 0.000 1.303 65 Y HN 0.358 nan 8.280 nan 0.000 0.460 66 R N 1.725 122.206 120.500 -0.032 0.000 2.221 66 R HA 0.515 4.856 4.340 0.001 0.000 0.327 66 R C -1.923 174.363 176.300 -0.024 0.000 1.033 66 R CA -0.297 55.839 56.100 0.060 0.000 0.887 66 R CB 0.244 30.605 30.300 0.101 0.000 1.057 66 R HN 0.569 nan 8.270 nan 0.000 0.455 67 F N 4.037 124.182 119.950 0.326 0.000 2.415 67 F HA 0.394 4.921 4.527 0.001 0.000 0.348 67 F C -0.158 175.800 175.800 0.264 0.000 1.119 67 F CA -0.632 57.565 58.000 0.328 0.000 1.069 67 F CB 1.901 41.221 39.000 0.533 0.000 1.124 67 F HN 0.079 nan 8.300 nan 0.000 0.472 68 V N 2.001 122.129 119.914 0.357 0.000 2.709 68 V HA 0.850 4.970 4.120 0.001 0.000 0.308 68 V C -0.101 176.043 176.094 0.084 0.000 1.062 68 V CA -0.900 61.543 62.300 0.239 0.000 0.901 68 V CB 1.935 33.968 31.823 0.349 0.000 1.003 68 V HN 0.887 nan 8.190 nan 0.000 0.425 69 G N 2.031 110.832 108.800 0.001 0.000 2.566 69 G HA2 0.668 4.629 3.960 0.001 0.000 0.311 69 G HA3 0.668 4.629 3.960 0.001 0.000 0.311 69 G C -1.491 173.292 174.900 -0.195 0.000 1.322 69 G CA -0.584 44.455 45.100 -0.101 0.000 0.969 69 G HN 0.558 nan 8.290 nan 0.000 0.490 70 V N 1.348 121.094 119.914 -0.281 0.000 2.448 70 V HA 0.670 4.790 4.120 0.001 0.000 0.295 70 V C -0.504 175.477 176.094 -0.189 0.000 1.025 70 V CA -0.658 61.438 62.300 -0.340 0.000 0.859 70 V CB 1.511 33.005 31.823 -0.548 0.000 0.988 70 V HN 0.872 nan 8.190 nan 0.000 0.431 71 E N 3.188 123.309 120.200 -0.133 0.000 2.308 71 E HA 0.436 4.786 4.350 0.001 0.000 0.275 71 E C -0.147 176.438 176.600 -0.025 0.000 0.890 71 E CA -0.530 55.833 56.400 -0.062 0.000 0.754 71 E CB 2.002 31.665 29.700 -0.062 0.000 1.207 71 E HN 0.503 nan 8.360 nan 0.000 0.426 72 I N 1.755 122.338 120.570 0.021 0.000 2.716 72 I HA 0.090 4.260 4.170 0.001 0.000 0.259 72 I C -0.051 176.083 176.117 0.029 0.000 1.172 72 I CA 0.530 61.857 61.300 0.045 0.000 1.478 72 I CB 0.489 38.546 38.000 0.095 0.000 1.104 72 I HN 0.471 nan 8.210 nan 0.000 0.439 73 D N 0.988 121.397 120.400 0.014 0.000 2.329 73 D HA 0.171 4.812 4.640 0.001 0.000 0.232 73 D C -1.682 174.619 176.300 0.002 0.000 1.088 73 D CA -2.663 51.343 54.000 0.010 0.000 0.835 73 D CB 1.540 42.342 40.800 0.003 0.000 1.078 73 D HN 0.012 nan 8.370 nan 0.000 0.495 74 P HA -0.131 nan 4.420 nan 0.000 0.220 74 P C 0.875 178.173 177.300 -0.003 0.000 1.148 74 P CA 0.923 64.024 63.100 0.001 0.000 0.803 74 P CB 0.465 32.170 31.700 0.007 0.000 0.782 75 K N -0.216 120.183 120.400 -0.002 0.000 2.147 75 K HA -0.021 4.299 4.320 0.001 0.000 0.205 75 K C 2.132 178.727 176.600 -0.008 0.000 1.049 75 K CA 1.443 57.726 56.287 -0.006 0.000 0.936 75 K CB -0.303 32.193 32.500 -0.005 0.000 0.722 75 K HN 0.091 nan 8.250 nan 0.000 0.446 76 A N 0.910 123.726 122.820 -0.007 0.000 2.044 76 A HA 0.048 4.369 4.320 0.001 0.000 0.213 76 A C 0.804 178.388 177.584 -0.000 0.000 1.169 76 A CA -0.161 51.874 52.037 -0.003 0.000 0.724 76 A CB 0.035 19.030 19.000 -0.007 0.000 0.840 76 A HN 0.185 nan 8.150 nan 0.000 0.463 77 L N 1.342 122.558 121.223 -0.013 0.000 2.500 77 L HA 0.367 4.707 4.340 0.001 0.000 0.272 77 L C -1.023 175.834 176.870 -0.022 0.000 1.149 77 L CA 0.483 55.308 54.840 -0.024 0.000 0.897 77 L CB 0.133 42.172 42.059 -0.033 0.000 1.178 77 L HN 0.185 nan 8.230 nan 0.000 0.473 78 D N 4.648 125.035 120.400 -0.022 0.000 2.934 78 D HA 0.238 4.878 4.640 0.001 0.000 0.249 78 D C -0.984 175.283 176.300 -0.055 0.000 1.293 78 D CA -0.227 53.756 54.000 -0.028 0.000 0.812 78 D CB 0.127 40.923 40.800 -0.007 0.000 1.439 78 D HN 0.425 nan 8.370 nan 0.000 0.555 79 L N 1.296 122.451 121.223 -0.114 0.000 2.416 79 L HA 0.599 4.939 4.340 0.001 0.000 0.262 79 L C -1.613 175.067 176.870 -0.317 0.000 1.093 79 L CA -1.781 52.930 54.840 -0.215 0.000 0.801 79 L CB 0.569 42.492 42.059 -0.227 0.000 1.191 79 L HN 0.125 nan 8.230 nan 0.000 0.459 80 P HA 0.101 nan 4.420 nan 0.000 0.269 80 P C -2.169 174.733 177.300 -0.664 0.000 1.215 80 P CA -0.974 61.684 63.100 -0.737 0.000 0.780 80 P CB -0.014 30.764 31.700 -1.536 0.000 0.898 81 P HA -0.113 nan 4.420 nan 0.000 0.223 81 P C 0.737 178.001 177.300 -0.061 0.000 1.144 81 P CA 1.148 64.151 63.100 -0.162 0.000 0.783 81 P CB -0.303 31.375 31.700 -0.037 0.000 0.771 82 W N -1.600 119.726 121.300 0.045 0.000 3.256 82 W HA 0.579 5.239 4.660 0.001 0.000 0.269 82 W C -0.115 176.484 176.519 0.133 0.000 1.310 82 W CA -0.380 57.013 57.345 0.079 0.000 1.673 82 W CB -0.533 28.961 29.460 0.057 0.000 1.115 82 W HN -0.134 nan 8.180 nan 0.000 0.686 83 A N 1.553 124.370 122.820 -0.005 0.000 2.340 83 A HA 0.399 4.720 4.320 0.001 0.000 0.331 83 A C -0.632 177.000 177.584 0.080 0.000 1.140 83 A CA -0.683 51.427 52.037 0.121 0.000 0.801 83 A CB 1.423 20.338 19.000 -0.142 0.000 1.234 83 A HN 0.201 nan 8.150 nan 0.000 0.469 84 E N 1.530 121.827 120.200 0.160 0.000 2.152 84 E HA 0.429 4.779 4.350 0.001 0.000 0.285 84 E C 0.075 176.714 176.600 0.065 0.000 1.043 84 E CA -0.298 56.174 56.400 0.119 0.000 0.839 84 E CB 0.793 30.597 29.700 0.174 0.000 1.069 84 E HN 0.734 nan 8.360 nan 0.000 0.399 85 G N 5.128 113.938 108.800 0.017 0.000 2.335 85 G HA2 0.488 4.448 3.960 0.001 0.000 0.316 85 G HA3 0.488 4.448 3.960 0.001 0.000 0.316 85 G C -0.499 174.388 174.900 -0.021 0.000 1.129 85 G CA -0.532 44.553 45.100 -0.025 0.000 0.899 85 G HN 0.542 nan 8.290 nan 0.000 0.448 86 I N 2.127 122.653 120.570 -0.074 0.000 2.406 86 I HA 0.214 4.385 4.170 0.001 0.000 0.290 86 I C -0.722 175.320 176.117 -0.124 0.000 0.999 86 I CA -0.860 60.383 61.300 -0.095 0.000 1.124 86 I CB 2.243 40.126 38.000 -0.196 0.000 1.289 86 I HN 0.205 nan 8.210 nan 0.000 0.441 87 L N 7.388 128.577 121.223 -0.057 0.000 2.270 87 L HA 0.782 5.122 4.340 0.001 0.000 0.286 87 L C -0.149 176.708 176.870 -0.022 0.000 1.059 87 L CA 0.171 54.989 54.840 -0.036 0.000 0.839 87 L CB 0.032 42.089 42.059 -0.003 0.000 1.221 87 L HN 0.760 nan 8.230 nan 0.000 0.431 88 A N 3.234 126.029 122.820 -0.043 0.000 2.586 88 A HA 0.436 4.756 4.320 0.001 0.000 0.291 88 A C -1.515 176.099 177.584 0.050 0.000 1.062 88 A CA -0.776 51.266 52.037 0.008 0.000 0.666 88 A CB 0.808 19.794 19.000 -0.023 0.000 1.281 88 A HN 0.426 nan 8.150 nan 0.000 0.421 89 D N 0.798 121.273 120.400 0.124 0.000 2.338 89 D HA 0.186 4.827 4.640 0.001 0.000 0.255 89 D C 0.831 177.247 176.300 0.193 0.000 1.237 89 D CA -0.244 53.867 54.000 0.185 0.000 0.883 89 D CB 0.124 41.062 40.800 0.230 0.000 1.087 89 D HN 0.418 nan 8.370 nan 0.000 0.485 90 F N 4.376 124.325 119.950 -0.003 0.000 2.154 90 F HA -0.197 4.330 4.527 0.001 0.000 0.301 90 F C 1.630 177.425 175.800 -0.009 0.000 1.087 90 F CA 1.372 59.335 58.000 -0.062 0.000 1.274 90 F CB -0.046 38.805 39.000 -0.249 0.000 1.009 90 F HN 0.469 nan 8.300 nan 0.000 0.485 91 L N -0.376 120.755 121.223 -0.154 0.000 2.275 91 L HA -0.143 4.197 4.340 0.001 0.000 0.215 91 L C 1.627 178.526 176.870 0.049 0.000 1.119 91 L CA 0.764 55.531 54.840 -0.123 0.000 0.790 91 L CB -0.390 41.572 42.059 -0.161 0.000 0.919 91 L HN 0.241 nan 8.230 nan 0.000 0.443 92 L N -2.546 118.736 121.223 0.098 0.000 2.858 92 L HA 0.123 4.463 4.340 0.001 0.000 0.251 92 L C 0.152 177.087 176.870 0.107 0.000 1.149 92 L CA -0.559 54.334 54.840 0.089 0.000 0.955 92 L CB 0.138 42.285 42.059 0.146 0.000 1.289 92 L HN 0.210 nan 8.230 nan 0.000 0.542 93 W N 2.810 124.045 121.300 -0.108 0.000 2.238 93 W HA 0.189 4.849 4.660 0.001 0.000 0.321 93 W C 0.131 176.605 176.519 -0.075 0.000 1.293 93 W CA -0.024 57.282 57.345 -0.066 0.000 1.204 93 W CB 0.728 30.161 29.460 -0.045 0.000 1.167 93 W HN -0.092 nan 8.180 nan 0.000 0.553 94 E N 7.734 127.672 120.200 -0.437 0.000 2.593 94 E HA 0.211 4.562 4.350 0.001 0.000 0.232 94 E C -2.084 174.122 176.600 -0.655 0.000 1.026 94 E CA -1.584 54.526 56.400 -0.482 0.000 0.772 94 E CB 0.479 30.045 29.700 -0.223 0.000 1.310 94 E HN 0.370 nan 8.360 nan 0.000 0.413 95 P HA 0.186 nan 4.420 nan 0.000 0.276 95 P C 0.923 178.027 177.300 -0.327 0.000 1.252 95 P CA -0.343 62.365 63.100 -0.652 0.000 0.802 95 P CB 1.156 32.405 31.700 -0.752 0.000 1.035 96 G N -0.254 108.429 108.800 -0.195 0.000 2.464 96 G HA2 -0.063 3.897 3.960 0.001 0.000 0.217 96 G HA3 -0.063 3.897 3.960 0.001 0.000 0.217 96 G C 0.443 175.254 174.900 -0.148 0.000 1.138 96 G CA 0.340 45.356 45.100 -0.140 0.000 0.793 96 G HN 0.657 nan 8.290 nan 0.000 0.539 97 E N -0.394 119.689 120.200 -0.195 0.000 2.293 97 E HA 0.609 4.959 4.350 0.001 0.000 0.270 97 E C -0.136 176.269 176.600 -0.326 0.000 0.879 97 E CA -0.903 55.363 56.400 -0.224 0.000 0.756 97 E CB 1.985 31.550 29.700 -0.226 0.000 1.208 97 E HN 0.118 nan 8.360 nan 0.000 0.428 98 A N 2.755 125.439 122.820 -0.226 0.000 2.292 98 A HA 0.490 4.810 4.320 0.001 0.000 0.265 98 A C -0.855 176.528 177.584 -0.336 0.000 1.133 98 A CA 0.001 51.958 52.037 -0.134 0.000 0.807 98 A CB 0.204 19.195 19.000 -0.015 0.000 1.102 98 A HN 0.517 nan 8.150 nan 0.000 0.502 99 F N -1.300 118.670 119.950 0.034 0.000 2.538 99 F HA 0.327 4.854 4.527 0.001 0.000 0.325 99 F C 1.019 176.827 175.800 0.014 0.000 1.066 99 F CA -0.485 57.537 58.000 0.038 0.000 0.946 99 F CB 1.968 41.014 39.000 0.077 0.000 1.199 99 F HN 0.653 nan 8.300 nan 0.000 0.473 100 D N 0.811 121.308 120.400 0.160 0.000 2.213 100 D HA 0.038 4.678 4.640 0.001 0.000 0.205 100 D C -0.180 176.147 176.300 0.045 0.000 0.961 100 D CA 1.216 55.261 54.000 0.075 0.000 0.853 100 D CB 0.658 41.484 40.800 0.044 0.000 0.967 100 D HN 0.151 nan 8.370 nan 0.000 0.496 101 L N 0.759 121.998 121.223 0.028 0.000 2.464 101 L HA 0.424 4.764 4.340 0.001 0.000 0.266 101 L C -1.737 175.080 176.870 -0.088 0.000 0.965 101 L CA -0.485 54.302 54.840 -0.089 0.000 0.833 101 L CB 2.225 44.115 42.059 -0.281 0.000 1.296 101 L HN -0.223 nan 8.230 nan 0.000 0.405 102 I N 6.507 127.018 120.570 -0.098 0.000 2.447 102 I HA 0.581 4.751 4.170 0.001 0.000 0.287 102 I C -0.927 175.121 176.117 -0.115 0.000 1.023 102 I CA -0.690 60.541 61.300 -0.114 0.000 1.083 102 I CB 1.815 39.766 38.000 -0.082 0.000 1.245 102 I HN 0.666 nan 8.210 nan 0.000 0.434 103 L N 4.222 125.394 121.223 -0.085 0.000 2.434 103 L HA 1.117 5.458 4.340 0.001 0.000 0.260 103 L C -0.461 176.210 176.870 -0.332 0.000 0.983 103 L CA -0.219 54.561 54.840 -0.100 0.000 0.820 103 L CB 2.398 44.381 42.059 -0.126 0.000 1.361 103 L HN 0.731 nan 8.230 nan 0.000 0.410 104 G N 1.594 109.991 108.800 -0.672 0.000 2.351 104 G HA2 0.118 4.078 3.960 0.001 0.000 0.279 104 G HA3 0.118 4.078 3.960 0.001 0.000 0.279 104 G C -2.225 172.029 174.900 -1.075 0.000 1.297 104 G CA -0.459 43.777 45.100 -1.440 0.000 0.886 104 G HN 0.876 nan 8.290 nan 0.000 0.493 105 N N 1.666 119.883 118.700 -0.804 0.000 2.576 105 N HA 0.567 5.307 4.740 0.001 0.000 0.269 105 N C -2.568 172.556 175.510 -0.644 0.000 1.058 105 N CA -1.438 51.306 53.050 -0.510 0.000 0.860 105 N CB 2.384 40.802 38.487 -0.115 0.000 1.249 105 N HN 0.429 nan 8.380 nan 0.000 0.525 106 P HA 0.380 nan 4.420 nan 0.000 0.276 106 P C -2.803 174.041 177.300 -0.759 0.000 1.252 106 P CA -1.183 61.322 63.100 -0.993 0.000 0.802 106 P CB 0.113 31.201 31.700 -1.021 0.000 1.035 107 P HA 0.077 nan 4.420 nan 0.000 0.268 107 P C -0.966 176.210 177.300 -0.207 0.000 1.205 107 P CA 0.478 63.251 63.100 -0.545 0.000 0.771 107 P CB 0.065 31.508 31.700 -0.428 0.000 0.858 108 Y N 0.900 121.052 120.300 -0.246 0.000 2.387 108 Y HA 0.735 5.286 4.550 0.001 0.000 0.336 108 Y C 1.199 177.064 175.900 -0.058 0.000 1.067 108 Y CA -1.207 56.833 58.100 -0.099 0.000 1.114 108 Y CB 1.567 39.954 38.460 -0.121 0.000 1.208 108 Y HN 0.765 nan 8.280 nan 0.000 0.458 109 G N 1.663 110.562 108.800 0.165 0.000 2.343 109 G HA2 0.235 4.196 3.960 0.001 0.000 0.298 109 G HA3 0.235 4.196 3.960 0.001 0.000 0.298 109 G C -1.753 173.179 174.900 0.054 0.000 1.644 109 G CA -1.179 43.980 45.100 0.100 0.000 0.958 109 G HN 0.524 nan 8.290 nan 0.000 0.702 110 I N 0.923 121.531 120.570 0.064 0.000 2.441 110 I HA 0.252 4.423 4.170 0.001 0.000 0.287 110 I C 0.738 176.881 176.117 0.044 0.000 1.049 110 I CA -0.704 60.586 61.300 -0.016 0.000 1.381 110 I CB 1.522 39.457 38.000 -0.110 0.000 1.409 110 I HN 0.228 nan 8.210 nan 0.000 0.523 111 V N 6.444 126.410 119.914 0.086 0.000 2.439 111 V HA 0.620 4.740 4.120 0.001 0.000 0.271 111 V C 0.678 176.839 176.094 0.111 0.000 1.040 111 V CA 0.217 62.626 62.300 0.182 0.000 1.002 111 V CB 0.138 32.176 31.823 0.358 0.000 1.000 111 V HN 1.034 nan 8.190 nan 0.000 0.477 112 G N 3.621 112.545 108.800 0.208 0.000 2.430 112 G HA2 0.348 4.308 3.960 0.001 0.000 0.300 112 G HA3 0.348 4.308 3.960 0.001 0.000 0.300 112 G C -1.009 174.130 174.900 0.398 0.000 1.330 112 G CA -0.778 44.474 45.100 0.254 0.000 0.813 112 G HN 0.577 nan 8.290 nan 0.000 0.487 113 E N 0.031 120.445 120.200 0.357 0.000 2.529 113 E HA 0.301 4.652 4.350 0.001 0.000 0.259 113 E C 1.588 178.283 176.600 0.159 0.000 0.966 113 E CA 0.468 56.991 56.400 0.206 0.000 0.937 113 E CB 0.993 30.788 29.700 0.157 0.000 0.923 113 E HN 0.689 nan 8.360 nan 0.000 0.468 114 A N 3.482 126.266 122.820 -0.061 0.000 2.070 114 A HA -0.189 4.132 4.320 0.001 0.000 0.220 114 A C 2.080 179.637 177.584 -0.046 0.000 1.159 114 A CA 1.665 53.577 52.037 -0.210 0.000 0.656 114 A CB -0.545 18.043 19.000 -0.686 0.000 0.800 114 A HN 0.722 nan 8.150 nan 0.000 0.453 115 S N -1.201 114.471 115.700 -0.045 0.000 2.442 115 S HA -0.101 4.369 4.470 0.001 0.000 0.236 115 S C 1.550 176.098 174.600 -0.086 0.000 1.007 115 S CA 1.705 59.877 58.200 -0.046 0.000 0.965 115 S CB -0.026 63.154 63.200 -0.033 0.000 0.773 115 S HN 0.469 nan 8.310 nan 0.000 0.504 116 K N -0.829 119.479 120.400 -0.153 0.000 2.548 116 K HA 0.402 4.722 4.320 0.001 0.000 0.209 116 K C -0.873 175.366 176.600 -0.601 0.000 1.420 116 K CA -0.075 55.951 56.287 -0.435 0.000 0.985 116 K CB 0.633 32.732 32.500 -0.668 0.000 1.249 116 K HN 0.492 nan 8.250 nan 0.000 0.557 117 Y N -0.046 120.337 120.300 0.139 0.000 2.536 117 Y HA 0.344 4.894 4.550 0.001 0.000 0.347 117 Y C -1.897 174.133 175.900 0.217 0.000 1.000 117 Y CA -2.254 55.937 58.100 0.151 0.000 1.051 117 Y CB 2.168 40.715 38.460 0.144 0.000 1.259 117 Y HN -0.151 nan 8.280 nan 0.000 0.468 118 P HA 0.050 nan 4.420 nan 0.000 0.239 118 P C -0.124 176.918 177.300 -0.429 0.000 1.188 118 P CA 1.035 64.139 63.100 0.007 0.000 0.794 118 P CB 1.140 32.852 31.700 0.020 0.000 0.937 119 I N 1.442 121.881 120.570 -0.218 0.000 2.339 119 I HA 0.253 4.423 4.170 0.001 0.000 0.290 119 I C -0.009 176.047 176.117 -0.102 0.000 0.994 119 I CA -1.148 60.011 61.300 -0.235 0.000 1.191 119 I CB 0.091 38.100 38.000 0.014 0.000 1.343 119 I HN 0.004 nan 8.210 nan 0.000 0.458 120 H N 5.254 124.364 119.070 0.067 0.000 2.708 120 H HA 0.658 5.215 4.556 0.001 0.000 0.320 120 H C -0.246 175.052 175.328 -0.049 0.000 0.991 120 H CA -0.863 55.197 56.048 0.020 0.000 1.243 120 H CB 2.006 31.765 29.762 -0.004 0.000 1.446 120 H HN 0.462 nan 8.280 nan 0.000 0.502 121 V N -0.090 119.852 119.914 0.047 0.000 3.078 121 V HA 0.526 4.646 4.120 0.001 0.000 0.311 121 V C -0.354 175.681 176.094 -0.099 0.000 1.138 121 V CA -1.359 60.880 62.300 -0.101 0.000 1.007 121 V CB 1.341 33.141 31.823 -0.037 0.000 1.045 121 V HN 0.526 nan 8.190 nan 0.000 0.432 122 F N 1.196 121.151 119.950 0.010 0.000 2.602 122 F HA 0.199 4.726 4.527 0.001 0.000 0.367 122 F C 1.964 177.738 175.800 -0.043 0.000 1.126 122 F CA 0.689 58.681 58.000 -0.013 0.000 1.321 122 F CB 0.566 39.549 39.000 -0.027 0.000 1.094 122 F HN 0.826 nan 8.300 nan 0.000 0.594 123 K N 2.402 122.906 120.400 0.174 0.000 2.127 123 K HA -0.268 4.053 4.320 0.001 0.000 0.208 123 K C 2.029 178.626 176.600 -0.005 0.000 1.047 123 K CA 1.516 57.837 56.287 0.058 0.000 0.927 123 K CB -0.255 32.272 32.500 0.045 0.000 0.716 123 K HN 0.789 nan 8.250 nan 0.000 0.450 124 A N 0.420 123.249 122.820 0.016 0.000 1.972 124 A HA -0.107 4.214 4.320 0.001 0.000 0.219 124 A C 2.178 179.700 177.584 -0.103 0.000 1.169 124 A CA 1.662 53.671 52.037 -0.047 0.000 0.635 124 A CB -0.447 18.524 19.000 -0.049 0.000 0.810 124 A HN 0.190 nan 8.150 nan 0.000 0.446 125 V N -0.006 119.850 119.914 -0.097 0.000 2.323 125 V HA -0.224 3.897 4.120 0.001 0.000 0.244 125 V C 2.474 178.236 176.094 -0.552 0.000 1.041 125 V CA 2.192 64.315 62.300 -0.296 0.000 1.025 125 V CB -0.633 31.043 31.823 -0.244 0.000 0.656 125 V HN 0.628 nan 8.190 nan 0.000 0.451 126 K N -0.025 120.165 120.400 -0.350 0.000 2.063 126 K HA -0.246 4.075 4.320 0.001 0.000 0.208 126 K C 1.863 178.251 176.600 -0.354 0.000 1.048 126 K CA 1.906 58.001 56.287 -0.320 0.000 0.928 126 K CB -0.235 32.204 32.500 -0.102 0.000 0.713 126 K HN 0.453 nan 8.250 nan 0.000 0.442 127 D N 0.914 121.160 120.400 -0.257 0.000 2.123 127 D HA -0.177 4.464 4.640 0.001 0.000 0.196 127 D C 1.962 178.115 176.300 -0.245 0.000 0.992 127 D CA 0.976 54.837 54.000 -0.232 0.000 0.833 127 D CB -0.173 40.534 40.800 -0.154 0.000 0.954 127 D HN 0.234 nan 8.370 nan 0.000 0.455 128 L N -0.049 121.029 121.223 -0.241 0.000 2.046 128 L HA -0.215 4.125 4.340 0.001 0.000 0.208 128 L C 2.506 179.292 176.870 -0.139 0.000 1.077 128 L CA 0.933 55.660 54.840 -0.189 0.000 0.747 128 L CB -0.436 41.524 42.059 -0.164 0.000 0.896 128 L HN 0.068 nan 8.230 nan 0.000 0.432 129 Y N 0.555 120.698 120.300 -0.261 0.000 2.145 129 Y HA -0.226 4.324 4.550 0.001 0.000 0.286 129 Y C 2.570 178.201 175.900 -0.448 0.000 1.145 129 Y CA 0.801 58.750 58.100 -0.252 0.000 1.148 129 Y CB -0.816 37.530 38.460 -0.189 0.000 0.981 129 Y HN 0.127 nan 8.280 nan 0.000 0.507 130 K N -0.115 119.958 120.400 -0.545 0.000 2.057 130 K HA -0.190 4.130 4.320 0.001 0.000 0.207 130 K C 2.045 178.468 176.600 -0.295 0.000 1.049 130 K CA 1.473 57.403 56.287 -0.594 0.000 0.931 130 K CB -0.094 32.039 32.500 -0.612 0.000 0.714 130 K HN -0.006 nan 8.250 nan 0.000 0.440 131 K N 0.532 120.771 120.400 -0.267 0.000 2.147 131 K HA -0.049 4.271 4.320 0.001 0.000 0.205 131 K C 1.780 178.218 176.600 -0.269 0.000 1.049 131 K CA 1.311 57.467 56.287 -0.219 0.000 0.936 131 K CB -0.283 32.105 32.500 -0.187 0.000 0.722 131 K HN 0.178 nan 8.250 nan 0.000 0.446 132 A N -0.521 122.041 122.820 -0.431 0.000 2.016 132 A HA 0.086 4.406 4.320 0.001 0.000 0.217 132 A C -0.024 177.105 177.584 -0.759 0.000 1.162 132 A CA 0.574 52.185 52.037 -0.710 0.000 0.662 132 A CB -0.083 18.245 19.000 -1.121 0.000 0.812 132 A HN 0.124 nan 8.150 nan 0.000 0.450 133 F N 0.050 119.967 119.950 -0.055 0.000 2.403 133 F HA 0.308 4.835 4.527 0.001 0.000 0.355 133 F C 1.465 177.209 175.800 -0.094 0.000 1.119 133 F CA -0.792 57.176 58.000 -0.053 0.000 1.007 133 F CB 1.412 40.473 39.000 0.102 0.000 1.194 133 F HN 0.114 nan 8.300 nan 0.000 0.443 134 S N -0.465 115.236 115.700 0.002 0.000 2.474 134 S HA -0.152 4.318 4.470 0.001 0.000 0.235 134 S C 1.671 176.209 174.600 -0.104 0.000 0.997 134 S CA 1.280 59.445 58.200 -0.058 0.000 0.949 134 S CB -0.749 62.416 63.200 -0.058 0.000 0.766 134 S HN 0.703 nan 8.310 nan 0.000 0.517 135 T N -3.498 110.950 114.554 -0.177 0.000 3.081 135 T HA 0.085 4.435 4.350 0.001 0.000 0.250 135 T C 0.397 174.739 174.700 -0.596 0.000 1.100 135 T CA -0.580 61.360 62.100 -0.267 0.000 1.038 135 T CB -0.499 68.230 68.868 -0.232 0.000 0.962 135 T HN 0.519 nan 8.240 nan 0.000 0.516 136 W N 3.148 124.010 121.300 -0.729 0.000 2.397 136 W HA 0.418 5.078 4.660 0.001 0.000 0.327 136 W C -0.152 175.934 176.519 -0.721 0.000 1.421 136 W CA -0.044 56.651 57.345 -1.084 0.000 1.288 136 W CB 0.152 29.372 29.460 -0.400 0.000 1.312 136 W HN 0.215 nan 8.180 nan 0.000 0.559 137 K N 4.691 124.635 120.400 -0.759 0.000 2.523 137 K HA 0.467 4.787 4.320 0.001 0.000 0.257 137 K C 0.437 176.916 176.600 -0.202 0.000 0.932 137 K CA 0.178 56.297 56.287 -0.280 0.000 0.812 137 K CB 1.094 33.441 32.500 -0.255 0.000 1.326 137 K HN 0.707 nan 8.250 nan 0.000 0.433 138 G N 3.131 111.891 108.800 -0.065 0.000 2.566 138 G HA2 -0.360 3.600 3.960 0.001 0.000 0.280 138 G HA3 -0.360 3.600 3.960 0.001 0.000 0.280 138 G C 0.426 175.316 174.900 -0.016 0.000 1.225 138 G CA 0.469 45.537 45.100 -0.052 0.000 0.966 138 G HN 0.713 nan 8.290 nan 0.000 0.560 139 K N -1.091 119.263 120.400 -0.078 0.000 2.155 139 K HA 0.139 4.460 4.320 0.001 0.000 0.203 139 K C 1.280 177.775 176.600 -0.174 0.000 1.052 139 K CA 1.006 57.237 56.287 -0.093 0.000 0.948 139 K CB -0.021 32.364 32.500 -0.192 0.000 0.728 139 K HN 0.622 nan 8.250 nan 0.000 0.448 140 Y N 0.229 120.190 120.300 -0.565 0.000 2.918 140 Y HA -0.391 4.159 4.550 0.001 0.000 0.464 140 Y C -0.238 175.250 175.900 -0.686 0.000 1.212 140 Y CA 0.627 58.171 58.100 -0.928 0.000 2.442 140 Y CB -0.519 36.962 38.460 -1.632 0.000 1.248 140 Y HN 0.300 nan 8.280 nan 0.000 0.636 141 N N -0.067 117.966 118.700 -1.112 0.000 2.555 141 N HA 0.232 4.972 4.740 0.001 0.000 0.265 141 N C 0.206 175.351 175.510 -0.608 0.000 1.135 141 N CA 0.073 52.727 53.050 -0.660 0.000 0.925 141 N CB 1.002 39.153 38.487 -0.561 0.000 1.662 141 N HN 0.680 nan 8.380 nan 0.000 0.489 142 L N 1.893 122.995 121.223 -0.203 0.000 2.081 142 L HA -0.252 4.089 4.340 0.001 0.000 0.212 142 L C 2.250 179.117 176.870 -0.005 0.000 1.080 142 L CA 1.805 56.636 54.840 -0.015 0.000 0.754 142 L CB -0.602 41.507 42.059 0.082 0.000 0.893 142 L HN 0.698 nan 8.230 nan 0.000 0.433 143 Y N -0.516 119.703 120.300 -0.135 0.000 2.293 143 Y HA -0.006 4.544 4.550 0.001 0.000 0.291 143 Y C 2.211 178.018 175.900 -0.155 0.000 1.137 143 Y CA 0.863 58.877 58.100 -0.144 0.000 1.202 143 Y CB -1.313 37.007 38.460 -0.234 0.000 0.990 143 Y HN -0.036 nan 8.280 nan 0.000 0.537 144 G N 0.588 108.967 108.800 -0.701 0.000 2.408 144 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 144 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 144 G C 1.821 176.584 174.900 -0.229 0.000 1.150 144 G CA 1.030 45.796 45.100 -0.556 0.000 0.776 144 G HN 0.663 nan 8.290 nan 0.000 0.542 145 A N 0.401 123.057 122.820 -0.273 0.000 1.898 145 A HA 0.153 4.473 4.320 0.001 0.000 0.216 145 A C 2.141 179.456 177.584 -0.449 0.000 1.181 145 A CA 1.190 52.905 52.037 -0.536 0.000 0.620 145 A CB -0.550 18.154 19.000 -0.494 0.000 0.819 145 A HN 0.256 nan 8.150 nan 0.000 0.442 146 F N 0.048 119.893 119.950 -0.175 0.000 2.126 146 F HA -0.155 4.372 4.527 0.001 0.000 0.299 146 F C 2.133 178.105 175.800 0.287 0.000 1.096 146 F CA 1.500 59.598 58.000 0.165 0.000 1.255 146 F CB -0.428 38.653 39.000 0.135 0.000 0.997 146 F HN 0.109 nan 8.300 nan 0.000 0.479 147 L N -0.428 120.978 121.223 0.304 0.000 2.017 147 L HA -0.230 4.111 4.340 0.001 0.000 0.208 147 L C 2.523 179.372 176.870 -0.035 0.000 1.073 147 L CA 1.759 56.653 54.840 0.091 0.000 0.745 147 L CB -0.646 41.379 42.059 -0.057 0.000 0.894 147 L HN 0.158 nan 8.230 nan 0.000 0.432 148 E N 0.353 120.483 120.200 -0.118 0.000 2.051 148 E HA -0.307 4.043 4.350 0.001 0.000 0.192 148 E C 2.159 178.741 176.600 -0.029 0.000 0.991 148 E CA 1.433 57.721 56.400 -0.187 0.000 0.799 148 E CB 0.122 29.591 29.700 -0.384 0.000 0.748 148 E HN 0.121 nan 8.360 nan 0.000 0.449 149 K N 0.835 121.205 120.400 -0.051 0.000 2.032 149 K HA -0.123 4.198 4.320 0.001 0.000 0.209 149 K C 1.802 178.454 176.600 0.087 0.000 1.048 149 K CA 1.658 57.964 56.287 0.032 0.000 0.927 149 K CB -0.639 31.745 32.500 -0.195 0.000 0.712 149 K HN 0.196 nan 8.250 nan 0.000 0.441 150 A N 0.100 123.047 122.820 0.212 0.000 1.883 150 A HA -0.130 4.190 4.320 0.001 0.000 0.217 150 A C 2.363 179.992 177.584 0.075 0.000 1.186 150 A CA 1.996 54.154 52.037 0.201 0.000 0.624 150 A CB -0.927 18.063 19.000 -0.018 0.000 0.822 150 A HN 0.131 nan 8.150 nan 0.000 0.444 151 V N 0.172 120.093 119.914 0.012 0.000 2.332 151 V HA -0.305 3.815 4.120 0.001 0.000 0.248 151 V C 2.614 178.794 176.094 0.144 0.000 1.055 151 V CA 2.347 64.660 62.300 0.021 0.000 1.038 151 V CB -0.856 30.938 31.823 -0.049 0.000 0.651 151 V HN 0.537 nan 8.190 nan 0.000 0.450 152 R N -0.471 120.138 120.500 0.182 0.000 2.152 152 R HA -0.018 4.323 4.340 0.001 0.000 0.232 152 R C 1.933 178.298 176.300 0.108 0.000 1.117 152 R CA 1.017 57.211 56.100 0.157 0.000 0.981 152 R CB -0.240 30.143 30.300 0.137 0.000 0.870 152 R HN 0.440 nan 8.270 nan 0.000 0.451 153 L N 0.887 122.186 121.223 0.128 0.000 2.592 153 L HA 0.154 4.494 4.340 0.001 0.000 0.227 153 L C 0.356 177.364 176.870 0.230 0.000 1.127 153 L CA -0.140 54.803 54.840 0.173 0.000 0.884 153 L CB 0.103 42.305 42.059 0.238 0.000 1.065 153 L HN 0.063 nan 8.230 nan 0.000 0.457 154 L N 0.608 121.939 121.223 0.179 0.000 2.350 154 L HA 0.197 4.537 4.340 0.001 0.000 0.275 154 L C 0.533 177.474 176.870 0.118 0.000 1.099 154 L CA -0.273 54.670 54.840 0.171 0.000 0.808 154 L CB 0.888 43.053 42.059 0.176 0.000 1.149 154 L HN 0.050 nan 8.230 nan 0.000 0.442 155 K N 3.044 123.498 120.400 0.089 0.000 2.336 155 K HA 0.138 4.458 4.320 0.001 0.000 0.262 155 K C -2.253 174.375 176.600 0.046 0.000 0.992 155 K CA -1.461 54.852 56.287 0.044 0.000 0.927 155 K CB -0.025 32.487 32.500 0.020 0.000 0.956 155 K HN 0.274 nan 8.250 nan 0.000 0.495 156 P HA -0.100 nan 4.420 nan 0.000 0.262 156 P C 0.502 177.807 177.300 0.008 0.000 1.182 156 P CA 1.050 64.160 63.100 0.017 0.000 0.761 156 P CB 0.365 32.069 31.700 0.008 0.000 0.795 157 G N 2.084 110.879 108.800 -0.008 0.000 2.179 157 G HA2 -0.195 3.766 3.960 0.001 0.000 0.260 157 G HA3 -0.195 3.766 3.960 0.001 0.000 0.260 157 G C 0.674 175.565 174.900 -0.014 0.000 0.977 157 G CA -0.084 45.003 45.100 -0.022 0.000 0.641 157 G HN 0.889 nan 8.290 nan 0.000 0.533 158 G N -1.082 107.726 108.800 0.014 0.000 2.636 158 G HA2 0.569 4.529 3.960 0.001 0.000 0.246 158 G HA3 0.569 4.529 3.960 0.001 0.000 0.246 158 G C -0.250 174.665 174.900 0.023 0.000 1.216 158 G CA 0.407 45.528 45.100 0.035 0.000 0.854 158 G HN 1.057 nan 8.290 nan 0.000 0.572 159 V N 1.199 121.126 119.914 0.022 0.000 2.656 159 V HA 0.533 4.653 4.120 0.001 0.000 0.307 159 V C -0.130 175.966 176.094 0.002 0.000 1.051 159 V CA -0.740 61.565 62.300 0.007 0.000 0.893 159 V CB 1.659 33.467 31.823 -0.024 0.000 0.999 159 V HN 0.761 nan 8.190 nan 0.000 0.426 160 L N 5.248 126.483 121.223 0.020 0.000 2.346 160 L HA 0.876 5.216 4.340 0.001 0.000 0.276 160 L C -1.507 175.294 176.870 -0.114 0.000 1.006 160 L CA -0.496 54.268 54.840 -0.126 0.000 0.817 160 L CB 2.022 43.940 42.059 -0.235 0.000 1.272 160 L HN 0.463 nan 8.230 nan 0.000 0.421 161 V N 5.202 125.034 119.914 -0.136 0.000 2.380 161 V HA 0.495 4.615 4.120 0.001 0.000 0.286 161 V C -0.774 175.381 176.094 0.102 0.000 1.015 161 V CA -0.323 61.950 62.300 -0.047 0.000 0.834 161 V CB 1.124 32.910 31.823 -0.062 0.000 1.009 161 V HN 0.519 nan 8.190 nan 0.000 0.428 162 F N 2.831 122.718 119.950 -0.104 0.000 2.561 162 F HA 0.670 5.198 4.527 0.001 0.000 0.321 162 F C 0.059 175.823 175.800 -0.059 0.000 1.065 162 F CA -1.554 56.364 58.000 -0.136 0.000 0.934 162 F CB 2.216 41.148 39.000 -0.113 0.000 1.215 162 F HN 0.247 nan 8.300 nan 0.000 0.471 163 V N 5.040 125.024 119.914 0.117 0.000 2.398 163 V HA 0.840 4.960 4.120 0.001 0.000 0.286 163 V C -1.087 175.064 176.094 0.096 0.000 1.026 163 V CA -0.350 62.036 62.300 0.144 0.000 0.868 163 V CB 1.288 33.251 31.823 0.234 0.000 0.982 163 V HN 0.639 nan 8.190 nan 0.000 0.443 164 V N 4.086 123.967 119.914 -0.055 0.000 3.206 164 V HA 0.773 4.893 4.120 0.001 0.000 0.305 164 V C -2.955 172.728 176.094 -0.686 0.000 1.257 164 V CA -2.629 59.330 62.300 -0.569 0.000 1.057 164 V CB 1.815 33.251 31.823 -0.646 0.000 1.075 164 V HN 0.659 nan 8.190 nan 0.000 0.443 165 P HA 0.265 nan 4.420 nan 0.000 0.269 165 P C 0.448 177.515 177.300 -0.388 0.000 1.217 165 P CA 0.631 63.302 63.100 -0.715 0.000 0.783 165 P CB 0.673 31.911 31.700 -0.770 0.000 0.898 166 A N 1.390 124.064 122.820 -0.243 0.000 2.238 166 A HA -0.055 4.266 4.320 0.001 0.000 0.208 166 A C 1.803 179.131 177.584 -0.425 0.000 1.177 166 A CA 1.410 53.231 52.037 -0.361 0.000 0.804 166 A CB -1.495 17.368 19.000 -0.229 0.000 0.823 166 A HN 0.622 nan 8.150 nan 0.000 0.482 167 T N -2.365 112.085 114.554 -0.174 0.000 2.915 167 T HA -0.185 4.165 4.350 0.001 0.000 0.269 167 T C 1.773 176.419 174.700 -0.090 0.000 1.071 167 T CA 1.148 63.231 62.100 -0.028 0.000 1.132 167 T CB -0.678 68.274 68.868 0.139 0.000 0.878 167 T HN 0.832 nan 8.240 nan 0.000 0.479 168 W N 1.162 122.230 121.300 -0.387 0.000 2.525 168 W HA 0.100 4.761 4.660 0.001 0.000 0.259 168 W C 0.941 177.431 176.519 -0.048 0.000 1.253 168 W CA -0.349 56.748 57.345 -0.414 0.000 1.262 168 W CB -1.082 28.013 29.460 -0.609 0.000 1.122 168 W HN 0.171 nan 8.180 nan 0.000 0.607 169 L N 1.796 122.479 121.223 -0.901 0.000 2.127 169 L HA -0.223 4.118 4.340 0.001 0.000 0.211 169 L C 2.641 179.399 176.870 -0.186 0.000 1.089 169 L CA 2.684 57.044 54.840 -0.799 0.000 0.757 169 L CB -1.159 40.262 42.059 -1.065 0.000 0.899 169 L HN 0.132 nan 8.230 nan 0.000 0.434 170 V N -6.128 113.778 119.914 -0.012 0.000 3.539 170 V HA 0.270 4.391 4.120 0.001 0.000 0.262 170 V C 0.830 177.023 176.094 0.165 0.000 1.381 170 V CA -0.420 61.960 62.300 0.133 0.000 1.060 170 V CB -0.129 31.821 31.823 0.212 0.000 0.842 170 V HN -0.018 nan 8.190 nan 0.000 0.445 171 L N 1.335 122.701 121.223 0.239 0.000 2.395 171 L HA 0.416 4.756 4.340 0.001 0.000 0.269 171 L C 1.757 178.777 176.870 0.251 0.000 1.133 171 L CA -0.262 54.739 54.840 0.269 0.000 0.812 171 L CB 0.925 43.213 42.059 0.381 0.000 1.125 171 L HN 0.132 nan 8.230 nan 0.000 0.452 172 E N 1.058 121.340 120.200 0.136 0.000 2.153 172 E HA -0.196 4.155 4.350 0.001 0.000 0.194 172 E C 1.193 177.805 176.600 0.020 0.000 0.988 172 E CA 1.163 57.611 56.400 0.079 0.000 0.811 172 E CB 0.104 29.826 29.700 0.037 0.000 0.746 172 E HN 0.636 nan 8.360 nan 0.000 0.466 173 D N -0.463 119.892 120.400 -0.075 0.000 2.265 173 D HA -0.147 4.493 4.640 0.001 0.000 0.208 173 D C 0.741 176.790 176.300 -0.418 0.000 0.977 173 D CA 0.772 54.578 54.000 -0.322 0.000 0.871 173 D CB -0.158 40.291 40.800 -0.585 0.000 0.925 173 D HN 0.171 nan 8.370 nan 0.000 0.485 174 F N -0.832 119.209 119.950 0.151 0.000 2.647 174 F HA 0.421 4.948 4.527 0.001 0.000 0.300 174 F C 1.839 177.761 175.800 0.204 0.000 1.106 174 F CA -0.411 57.719 58.000 0.217 0.000 1.313 174 F CB -0.100 39.055 39.000 0.258 0.000 1.007 174 F HN -0.142 nan 8.300 nan 0.000 0.536 175 A N 0.380 123.334 122.820 0.223 0.000 1.902 175 A HA -0.110 4.211 4.320 0.001 0.000 0.217 175 A C 2.150 179.814 177.584 0.134 0.000 1.181 175 A CA 1.471 53.609 52.037 0.168 0.000 0.623 175 A CB -0.675 18.381 19.000 0.092 0.000 0.818 175 A HN 0.427 nan 8.150 nan 0.000 0.443 176 L N -1.149 120.128 121.223 0.090 0.000 2.156 176 L HA -0.106 4.235 4.340 0.001 0.000 0.208 176 L C 2.509 179.458 176.870 0.131 0.000 1.095 176 L CA 0.797 55.675 54.840 0.063 0.000 0.770 176 L CB -0.496 41.550 42.059 -0.022 0.000 0.914 176 L HN 0.445 nan 8.230 nan 0.000 0.439 177 L N 0.106 121.446 121.223 0.196 0.000 2.017 177 L HA -0.184 4.157 4.340 0.001 0.000 0.208 177 L C 2.764 179.819 176.870 0.309 0.000 1.073 177 L CA 1.705 56.699 54.840 0.256 0.000 0.745 177 L CB -0.470 41.797 42.059 0.348 0.000 0.894 177 L HN 0.080 nan 8.230 nan 0.000 0.432 178 R N -0.359 120.359 120.500 0.363 0.000 2.083 178 R HA -0.188 4.153 4.340 0.001 0.000 0.237 178 R C 2.156 178.448 176.300 -0.013 0.000 1.137 178 R CA 1.937 58.256 56.100 0.365 0.000 0.951 178 R CB -0.453 30.103 30.300 0.426 0.000 0.851 178 R HN 0.535 nan 8.270 nan 0.000 0.434 179 E N -0.153 120.041 120.200 -0.010 0.000 2.110 179 E HA -0.194 4.156 4.350 0.001 0.000 0.193 179 E C 1.650 178.249 176.600 -0.001 0.000 0.988 179 E CA 1.077 57.419 56.400 -0.098 0.000 0.804 179 E CB -0.165 29.516 29.700 -0.031 0.000 0.745 179 E HN 0.239 nan 8.360 nan 0.000 0.458 180 F N 1.396 121.323 119.950 -0.040 0.000 2.075 180 F HA -0.185 4.343 4.527 0.001 0.000 0.297 180 F C 1.865 177.669 175.800 0.007 0.000 1.113 180 F CA 1.354 59.345 58.000 -0.016 0.000 1.218 180 F CB -0.224 38.769 39.000 -0.011 0.000 0.984 180 F HN -0.099 nan 8.300 nan 0.000 0.472 181 L N 0.343 121.610 121.223 0.074 0.000 2.013 181 L HA -0.283 4.057 4.340 0.001 0.000 0.212 181 L C 2.831 179.843 176.870 0.236 0.000 1.073 181 L CA 1.400 56.293 54.840 0.088 0.000 0.753 181 L CB -1.390 40.865 42.059 0.326 0.000 0.890 181 L HN 0.312 nan 8.230 nan 0.000 0.432 182 A N 0.877 123.712 122.820 0.025 0.000 1.940 182 A HA -0.229 4.091 4.320 0.001 0.000 0.219 182 A C 2.359 179.948 177.584 0.007 0.000 1.176 182 A CA 2.035 54.029 52.037 -0.071 0.000 0.631 182 A CB -0.557 18.063 19.000 -0.634 0.000 0.814 182 A HN 0.598 nan 8.150 nan 0.000 0.446 183 R N -1.496 118.969 120.500 -0.059 0.000 2.254 183 R HA 0.144 4.485 4.340 0.001 0.000 0.195 183 R C 0.961 177.229 176.300 -0.054 0.000 0.957 183 R CA 0.909 56.979 56.100 -0.049 0.000 1.024 183 R CB -0.026 30.238 30.300 -0.059 0.000 0.952 183 R HN 0.307 nan 8.270 nan 0.000 0.484 184 E N 0.786 120.934 120.200 -0.086 0.000 2.400 184 E HA 0.188 4.538 4.350 0.001 0.000 0.195 184 E C 0.664 177.372 176.600 0.180 0.000 1.012 184 E CA 0.888 57.258 56.400 -0.050 0.000 0.875 184 E CB 1.262 30.741 29.700 -0.368 0.000 0.859 184 E HN 0.542 nan 8.360 nan 0.000 0.498 185 G N 1.006 109.919 108.800 0.189 0.000 2.392 185 G HA2 0.195 4.155 3.960 0.001 0.000 0.260 185 G HA3 0.195 4.155 3.960 0.001 0.000 0.260 185 G C -1.491 173.356 174.900 -0.089 0.000 1.226 185 G CA -0.654 44.374 45.100 -0.121 0.000 0.913 185 G HN 0.038 nan 8.290 nan 0.000 0.483 186 K N -0.505 119.695 120.400 -0.335 0.000 2.207 186 K HA 0.788 5.109 4.320 0.001 0.000 0.255 186 K C -1.275 175.280 176.600 -0.075 0.000 0.941 186 K CA -0.611 55.620 56.287 -0.093 0.000 0.825 186 K CB 2.178 34.633 32.500 -0.075 0.000 1.119 186 K HN 0.361 nan 8.250 nan 0.000 0.430 187 T N 1.334 115.974 114.554 0.143 0.000 2.824 187 T HA 0.333 4.684 4.350 0.001 0.000 0.282 187 T C -0.927 173.842 174.700 0.115 0.000 0.993 187 T CA -0.790 61.441 62.100 0.218 0.000 0.967 187 T CB 1.575 70.641 68.868 0.331 0.000 0.960 187 T HN 0.562 nan 8.240 nan 0.000 0.441 188 S N 1.964 117.757 115.700 0.154 0.000 2.519 188 S HA 0.647 5.117 4.470 0.001 0.000 0.309 188 S C -0.453 174.198 174.600 0.085 0.000 1.100 188 S CA -0.693 57.574 58.200 0.112 0.000 1.059 188 S CB 1.316 64.604 63.200 0.147 0.000 1.008 188 S HN 0.507 nan 8.310 nan 0.000 0.478 189 V N 4.021 123.926 119.914 -0.015 0.000 2.495 189 V HA 0.461 4.581 4.120 0.001 0.000 0.298 189 V C -1.534 174.545 176.094 -0.025 0.000 1.031 189 V CA -0.672 61.662 62.300 0.057 0.000 0.871 189 V CB 0.995 32.795 31.823 -0.038 0.000 0.988 189 V HN 0.848 nan 8.190 nan 0.000 0.432 190 Y N 3.729 124.181 120.300 0.253 0.000 2.345 190 Y HA 0.425 4.975 4.550 0.001 0.000 0.331 190 Y C -0.276 175.771 175.900 0.246 0.000 0.959 190 Y CA -0.911 57.380 58.100 0.318 0.000 1.204 190 Y CB 1.087 39.746 38.460 0.332 0.000 1.135 190 Y HN 0.677 nan 8.280 nan 0.000 0.477 191 Y N 4.038 124.517 120.300 0.299 0.000 2.465 191 Y HA 0.197 4.747 4.550 0.001 0.000 0.331 191 Y C 0.071 176.000 175.900 0.048 0.000 1.102 191 Y CA 0.150 58.361 58.100 0.185 0.000 1.358 191 Y CB 0.587 39.215 38.460 0.279 0.000 1.213 191 Y HN 0.749 nan 8.280 nan 0.000 0.525 192 L N 5.012 125.811 121.223 -0.707 0.000 2.445 192 L HA 0.351 4.691 4.340 0.001 0.000 0.207 192 L C 1.410 177.742 176.870 -0.896 0.000 1.053 192 L CA 0.500 54.899 54.840 -0.735 0.000 0.841 192 L CB -0.466 41.208 42.059 -0.642 0.000 1.074 192 L HN 1.018 nan 8.230 nan 0.000 0.479 193 G N 0.865 108.961 108.800 -1.174 0.000 2.527 193 G HA2 -0.245 3.716 3.960 0.001 0.000 0.227 193 G HA3 -0.245 3.716 3.960 0.001 0.000 0.227 193 G C -0.305 174.456 174.900 -0.233 0.000 1.291 193 G CA -0.437 44.295 45.100 -0.613 0.000 0.904 193 G HN 0.282 nan 8.290 nan 0.000 0.577 194 E N 1.208 121.362 120.200 -0.077 0.000 1.852 194 E HA 0.294 4.644 4.350 0.001 0.000 0.276 194 E C 1.480 178.060 176.600 -0.034 0.000 1.163 194 E CA 0.368 56.765 56.400 -0.005 0.000 1.117 194 E CB 0.488 30.212 29.700 0.039 0.000 1.124 194 E HN 0.947 nan 8.360 nan 0.000 0.458 195 V N -1.278 118.558 119.914 -0.131 0.000 3.621 195 V HA 0.216 4.337 4.120 0.001 0.000 0.285 195 V C 0.210 176.113 176.094 -0.317 0.000 1.346 195 V CA -0.039 62.120 62.300 -0.235 0.000 1.104 195 V CB -0.531 31.071 31.823 -0.368 0.000 0.913 195 V HN 0.179 nan 8.190 nan 0.000 0.432 196 F N 2.621 122.577 119.950 0.009 0.000 2.361 196 F HA 0.673 5.201 4.527 0.001 0.000 0.364 196 F C -2.220 173.583 175.800 0.005 0.000 1.120 196 F CA -2.904 55.101 58.000 0.008 0.000 1.102 196 F CB 0.742 39.742 39.000 0.002 0.000 1.183 196 F HN -0.006 nan 8.300 nan 0.000 0.476 197 P HA 0.008 nan 4.420 nan 0.000 0.265 197 P C -0.209 177.142 177.300 0.086 0.000 1.193 197 P CA 0.185 63.337 63.100 0.088 0.000 0.765 197 P CB 0.496 32.230 31.700 0.056 0.000 0.823 198 Q N -0.990 118.846 119.800 0.060 0.000 2.450 198 Q HA -0.242 4.099 4.340 0.001 0.000 0.255 198 Q C -0.581 175.445 176.000 0.043 0.000 1.003 198 Q CA 1.486 57.314 55.803 0.042 0.000 1.097 198 Q CB -1.791 26.963 28.738 0.026 0.000 1.544 198 Q HN 0.631 nan 8.270 nan 0.000 0.531 199 K N 0.504 120.949 120.400 0.075 0.000 2.413 199 K HA 0.382 4.702 4.320 0.001 0.000 0.257 199 K C -0.105 176.545 176.600 0.083 0.000 0.946 199 K CA -0.478 55.844 56.287 0.058 0.000 0.823 199 K CB 1.602 34.114 32.500 0.020 0.000 1.109 199 K HN -0.094 nan 8.250 nan 0.000 0.427 200 K N 3.233 123.666 120.400 0.056 0.000 2.150 200 K HA 0.236 4.556 4.320 0.001 0.000 0.261 200 K C -1.325 175.317 176.600 0.070 0.000 1.127 200 K CA -0.254 56.067 56.287 0.057 0.000 0.989 200 K CB 0.429 32.950 32.500 0.035 0.000 1.475 200 K HN 0.322 nan 8.250 nan 0.000 0.391 201 V N 1.836 121.810 119.914 0.100 0.000 2.924 201 V HA 0.235 4.356 4.120 0.001 0.000 0.300 201 V C -1.522 174.642 176.094 0.116 0.000 1.227 201 V CA -0.642 61.719 62.300 0.101 0.000 0.954 201 V CB 2.249 34.139 31.823 0.111 0.000 1.055 201 V HN 0.530 nan 8.190 nan 0.000 0.429 202 S N 5.157 120.904 115.700 0.078 0.000 2.438 202 S HA 0.863 5.333 4.470 0.001 0.000 0.293 202 S C -0.054 174.542 174.600 -0.006 0.000 1.141 202 S CA 0.299 58.534 58.200 0.059 0.000 1.080 202 S CB 0.887 64.182 63.200 0.159 0.000 0.978 202 S HN 1.672 nan 8.310 nan 0.000 0.479 203 A N 3.901 126.673 122.820 -0.079 0.000 2.337 203 A HA 0.870 5.190 4.320 0.001 0.000 0.331 203 A C -0.170 177.310 177.584 -0.174 0.000 1.137 203 A CA -0.657 51.333 52.037 -0.077 0.000 0.807 203 A CB 1.248 20.309 19.000 0.100 0.000 1.250 203 A HN 1.441 nan 8.150 nan 0.000 0.468 204 V N -1.114 118.754 119.914 -0.075 0.000 3.074 204 V HA 0.853 4.973 4.120 0.001 0.000 0.314 204 V C -0.574 175.586 176.094 0.110 0.000 1.117 204 V CA -0.807 61.500 62.300 0.011 0.000 1.014 204 V CB 1.424 33.279 31.823 0.054 0.000 1.057 204 V HN 0.679 nan 8.190 nan 0.000 0.438 205 V N 3.299 123.339 119.914 0.209 0.000 2.427 205 V HA 0.507 4.628 4.120 0.001 0.000 0.286 205 V C -0.066 176.230 176.094 0.337 0.000 1.034 205 V CA -0.368 62.069 62.300 0.227 0.000 0.893 205 V CB 1.486 33.398 31.823 0.148 0.000 0.982 205 V HN 0.881 nan 8.190 nan 0.000 0.452 206 I N 5.663 126.392 120.570 0.265 0.000 2.354 206 I HA 0.536 4.707 4.170 0.001 0.000 0.292 206 I C 0.025 176.263 176.117 0.201 0.000 0.989 206 I CA -0.566 60.901 61.300 0.278 0.000 1.188 206 I CB 0.665 38.783 38.000 0.198 0.000 1.342 206 I HN 0.630 nan 8.210 nan 0.000 0.457 207 R N 7.884 128.542 120.500 0.263 0.000 2.288 207 R HA 0.331 4.672 4.340 0.001 0.000 0.326 207 R C -2.018 174.404 176.300 0.203 0.000 0.959 207 R CA -0.512 55.692 56.100 0.174 0.000 0.834 207 R CB 1.075 31.475 30.300 0.166 0.000 1.157 207 R HN 0.633 nan 8.270 nan 0.000 0.470 208 F N 3.219 123.170 119.950 0.000 0.000 2.469 208 F HA 0.335 4.863 4.527 0.001 0.000 0.332 208 F C -0.796 175.000 175.800 -0.008 0.000 1.103 208 F CA -0.524 57.480 58.000 0.006 0.000 0.979 208 F CB 1.820 40.801 39.000 -0.031 0.000 1.137 208 F HN 0.468 nan 8.300 nan 0.000 0.463 209 Q N 5.340 124.681 119.800 -0.766 0.000 2.333 209 Q HA 0.259 4.600 4.340 0.001 0.000 0.267 209 Q C -0.901 174.555 176.000 -0.907 0.000 1.012 209 Q CA -0.936 54.519 55.803 -0.580 0.000 0.824 209 Q CB 1.777 30.351 28.738 -0.273 0.000 1.290 209 Q HN 0.768 nan 8.270 nan 0.000 0.449 210 K N 2.450 122.603 120.400 -0.410 0.000 3.006 210 K HA 0.143 4.464 4.320 0.001 0.000 0.265 210 K C -1.406 175.118 176.600 -0.127 0.000 1.279 210 K CA 0.132 56.317 56.287 -0.170 0.000 1.229 210 K CB -0.268 32.304 32.500 0.119 0.000 1.555 210 K HN 0.618 nan 8.250 nan 0.000 0.300 211 S N -1.053 114.529 115.700 -0.198 0.000 2.597 211 S HA 0.635 5.106 4.470 0.001 0.000 0.274 211 S C 0.097 174.632 174.600 -0.108 0.000 1.132 211 S CA -0.653 57.484 58.200 -0.105 0.000 0.835 211 S CB 0.969 64.126 63.200 -0.072 0.000 1.092 211 S HN 0.551 nan 8.310 nan 0.000 0.457 212 G N 1.486 110.255 108.800 -0.053 0.000 2.575 212 G HA2 0.050 4.010 3.960 0.001 0.000 0.267 212 G HA3 0.050 4.010 3.960 0.001 0.000 0.267 212 G C -0.520 174.371 174.900 -0.014 0.000 1.264 212 G CA 0.739 45.821 45.100 -0.030 0.000 0.935 212 G HN 1.951 nan 8.290 nan 0.000 0.568 213 K N -1.573 118.834 120.400 0.012 0.000 2.617 213 K HA 0.728 5.048 4.320 0.001 0.000 0.293 213 K C 0.141 176.801 176.600 0.099 0.000 1.034 213 K CA 0.040 56.368 56.287 0.067 0.000 0.884 213 K CB 1.365 33.910 32.500 0.075 0.000 1.541 213 K HN 2.788 nan 8.250 nan 0.000 0.409 214 G N -0.274 108.648 108.800 0.203 0.000 2.661 214 G HA2 0.158 4.118 3.960 0.001 0.000 0.685 214 G HA3 0.158 4.118 3.960 0.001 0.000 0.685 214 G C -2.048 173.001 174.900 0.248 0.000 1.298 214 G CA -0.413 44.826 45.100 0.233 0.000 0.855 214 G HN 0.860 nan 8.290 nan 0.000 0.560 215 L N -0.069 121.238 121.223 0.141 0.000 2.386 215 L HA 0.873 5.214 4.340 0.001 0.000 0.271 215 L C -0.013 176.825 176.870 -0.054 0.000 0.993 215 L CA -0.435 54.341 54.840 -0.107 0.000 0.819 215 L CB 2.335 44.007 42.059 -0.645 0.000 1.294 215 L HN 0.894 nan 8.230 nan 0.000 0.414 216 S N 5.035 120.699 115.700 -0.060 0.000 2.478 216 S HA 0.687 5.158 4.470 0.001 0.000 0.312 216 S C -1.060 173.459 174.600 -0.136 0.000 1.094 216 S CA -0.405 57.736 58.200 -0.099 0.000 1.081 216 S CB 1.427 64.663 63.200 0.061 0.000 1.007 216 S HN 0.595 nan 8.310 nan 0.000 0.475 217 L N 3.943 125.015 121.223 -0.252 0.000 2.296 217 L HA 0.723 5.063 4.340 0.001 0.000 0.286 217 L C -1.917 174.827 176.870 -0.210 0.000 1.023 217 L CA -0.241 54.466 54.840 -0.222 0.000 0.812 217 L CB 0.414 42.295 42.059 -0.298 0.000 1.223 217 L HN 0.705 nan 8.230 nan 0.000 0.421 218 W N 3.766 125.011 121.300 -0.092 0.000 2.702 218 W HA 0.451 5.111 4.660 0.001 0.000 0.331 218 W C -0.049 176.667 176.519 0.329 0.000 1.049 218 W CA -0.498 56.909 57.345 0.104 0.000 1.230 218 W CB 1.260 30.670 29.460 -0.084 0.000 1.408 218 W HN 0.438 nan 8.180 nan 0.000 0.492 219 D N 0.592 121.385 120.400 0.655 0.000 2.423 219 D HA 0.551 5.192 4.640 0.001 0.000 0.255 219 D C -0.140 176.438 176.300 0.463 0.000 1.174 219 D CA 0.214 54.521 54.000 0.512 0.000 1.008 219 D CB 1.352 42.398 40.800 0.410 0.000 1.101 219 D HN 0.344 nan 8.370 nan 0.000 0.516 220 T N -2.222 112.524 114.554 0.321 0.000 2.896 220 T HA 0.640 4.991 4.350 0.001 0.000 0.297 220 T C -0.888 173.927 174.700 0.192 0.000 1.108 220 T CA -0.963 61.263 62.100 0.210 0.000 1.004 220 T CB 1.726 70.593 68.868 -0.002 0.000 1.159 220 T HN 0.477 nan 8.240 nan 0.000 0.499 221 Q N 0.300 120.199 119.800 0.165 0.000 2.423 221 Q HA 0.605 4.945 4.340 0.001 0.000 0.278 221 Q C -1.203 174.839 176.000 0.070 0.000 1.097 221 Q CA -1.074 54.807 55.803 0.130 0.000 0.809 221 Q CB 1.959 30.750 28.738 0.089 0.000 1.391 221 Q HN 0.699 nan 8.270 nan 0.000 0.428 222 E N 1.079 121.258 120.200 -0.034 0.000 2.413 222 E HA 0.202 4.553 4.350 0.001 0.000 0.263 222 E C -0.442 176.022 176.600 -0.227 0.000 1.015 222 E CA 0.352 56.565 56.400 -0.311 0.000 0.916 222 E CB 0.829 30.359 29.700 -0.283 0.000 0.947 222 E HN 0.668 nan 8.360 nan 0.000 0.440 223 S N 1.036 116.553 115.700 -0.305 0.000 2.810 223 S HA 0.245 4.715 4.470 0.001 0.000 0.315 223 S C 0.895 175.388 174.600 -0.179 0.000 1.138 223 S CA -0.868 57.228 58.200 -0.173 0.000 0.889 223 S CB 1.419 64.551 63.200 -0.114 0.000 1.236 223 S HN 0.615 nan 8.310 nan 0.000 0.548 224 E N 0.490 120.622 120.200 -0.113 0.000 2.058 224 E HA -0.149 4.201 4.350 0.001 0.000 0.194 224 E C 1.795 178.327 176.600 -0.114 0.000 0.997 224 E CA 1.902 58.243 56.400 -0.098 0.000 0.801 224 E CB -0.085 29.577 29.700 -0.064 0.000 0.746 224 E HN 0.725 nan 8.360 nan 0.000 0.450 225 S N -2.325 113.311 115.700 -0.108 0.000 2.512 225 S HA 0.351 4.822 4.470 0.001 0.000 0.216 225 S C 0.835 175.364 174.600 -0.119 0.000 1.006 225 S CA 0.167 58.312 58.200 -0.091 0.000 0.915 225 S CB 1.550 64.722 63.200 -0.048 0.000 0.824 225 S HN 0.322 nan 8.310 nan 0.000 0.497 226 G N 0.457 109.133 108.800 -0.207 0.000 3.262 226 G HA2 0.455 4.415 3.960 0.001 0.000 0.148 226 G HA3 0.455 4.415 3.960 0.001 0.000 0.148 226 G C -1.480 172.977 174.900 -0.739 0.000 1.197 226 G CA -0.566 44.350 45.100 -0.306 0.000 1.469 226 G HN 0.295 nan 8.290 nan 0.000 0.717 227 F N 0.813 120.648 119.950 -0.192 0.000 2.588 227 F HA 0.665 5.192 4.527 0.001 0.000 0.310 227 F C -0.316 175.295 175.800 -0.315 0.000 1.082 227 F CA -0.670 57.076 58.000 -0.424 0.000 0.929 227 F CB 2.790 41.210 39.000 -0.967 0.000 1.254 227 F HN 0.157 nan 8.300 nan 0.000 0.455 228 T N 4.206 118.745 114.554 -0.026 0.000 2.770 228 T HA 0.404 4.754 4.350 0.001 0.000 0.283 228 T C -2.746 172.036 174.700 0.136 0.000 0.988 228 T CA -1.497 60.648 62.100 0.075 0.000 0.957 228 T CB 1.437 70.354 68.868 0.081 0.000 0.930 228 T HN 0.152 nan 8.240 nan 0.000 0.443 229 P HA 0.387 nan 4.420 nan 0.000 0.279 229 P C -0.996 176.635 177.300 0.553 0.000 1.239 229 P CA -0.552 62.815 63.100 0.446 0.000 0.789 229 P CB 0.778 32.708 31.700 0.382 0.000 0.933 230 I N 3.507 124.471 120.570 0.657 0.000 2.439 230 I HA 0.199 4.370 4.170 0.001 0.000 0.285 230 I C 0.226 176.631 176.117 0.481 0.000 1.021 230 I CA -1.213 60.391 61.300 0.506 0.000 1.091 230 I CB 1.298 39.506 38.000 0.347 0.000 1.242 230 I HN 0.258 nan 8.210 nan 0.000 0.439 231 L N 6.591 127.898 121.223 0.139 0.000 2.462 231 L HA 0.060 4.401 4.340 0.001 0.000 0.272 231 L C 0.523 177.306 176.870 -0.145 0.000 1.166 231 L CA 0.884 55.424 54.840 -0.499 0.000 0.880 231 L CB 0.468 42.011 42.059 -0.859 0.000 1.142 231 L HN 0.693 nan 8.230 nan 0.000 0.473 232 W N 5.556 126.677 121.300 -0.299 0.000 2.780 232 W HA 0.480 5.141 4.660 0.001 0.000 0.272 232 W C -0.226 176.158 176.519 -0.225 0.000 1.116 232 W CA 0.711 57.980 57.345 -0.127 0.000 1.600 232 W CB 0.475 29.981 29.460 0.076 0.000 1.086 232 W HN 0.644 nan 8.180 nan 0.000 0.584 233 A N 0.910 123.687 122.820 -0.072 0.000 2.604 233 A HA 0.509 4.830 4.320 0.001 0.000 0.295 233 A C -1.496 175.856 177.584 -0.387 0.000 1.067 233 A CA -0.598 51.290 52.037 -0.248 0.000 0.683 233 A CB 1.374 20.295 19.000 -0.132 0.000 1.281 233 A HN 0.121 nan 8.150 nan 0.000 0.407 234 E N 0.307 120.200 120.200 -0.510 0.000 2.248 234 E HA 0.496 4.847 4.350 0.001 0.000 0.267 234 E C -1.976 174.290 176.600 -0.556 0.000 0.877 234 E CA -0.315 55.841 56.400 -0.406 0.000 0.759 234 E CB 2.173 31.710 29.700 -0.271 0.000 1.182 234 E HN 0.548 nan 8.360 nan 0.000 0.418 235 Y N 1.966 122.213 120.300 -0.088 0.000 2.787 235 Y HA 0.201 4.752 4.550 0.001 0.000 0.352 235 Y C -1.660 174.237 175.900 -0.005 0.000 1.027 235 Y CA -1.884 56.211 58.100 -0.010 0.000 1.219 235 Y CB 1.153 39.629 38.460 0.026 0.000 1.110 235 Y HN 0.434 nan 8.280 nan 0.000 0.614 236 P HA -0.138 nan 4.420 nan 0.000 0.225 236 P C 0.145 177.302 177.300 -0.239 0.000 1.148 236 P CA 1.599 64.573 63.100 -0.210 0.000 0.779 236 P CB 0.247 31.694 31.700 -0.422 0.000 0.780 237 H N -3.665 115.529 119.070 0.206 0.000 2.505 237 H HA 0.168 4.724 4.556 0.001 0.000 0.286 237 H C 0.093 175.564 175.328 0.239 0.000 1.072 237 H CA -0.920 55.236 56.048 0.181 0.000 1.141 237 H CB -0.655 29.186 29.762 0.132 0.000 1.550 237 H HN 0.077 nan 8.280 nan 0.000 0.547 238 W N 2.919 124.317 121.300 0.163 0.000 2.435 238 W HA -0.060 4.601 4.660 0.001 0.000 0.337 238 W C 0.219 176.802 176.519 0.107 0.000 1.300 238 W CA 0.417 57.833 57.345 0.120 0.000 1.298 238 W CB 0.539 30.061 29.460 0.104 0.000 1.217 238 W HN 0.279 nan 8.180 nan 0.000 0.565 239 E N 3.533 123.533 120.200 -0.335 0.000 2.603 239 E HA 0.240 4.590 4.350 0.001 0.000 0.211 239 E C 1.143 177.337 176.600 -0.677 0.000 0.995 239 E CA 0.405 56.570 56.400 -0.392 0.000 0.990 239 E CB 0.481 30.092 29.700 -0.147 0.000 1.036 239 E HN 0.825 nan 8.360 nan 0.000 0.475 240 G N 1.889 109.822 108.800 -1.445 0.000 2.154 240 G HA2 -0.209 3.752 3.960 0.001 0.000 0.186 240 G HA3 -0.209 3.752 3.960 0.001 0.000 0.186 240 G C -0.062 174.663 174.900 -0.293 0.000 1.000 240 G CA -0.474 43.994 45.100 -1.053 0.000 0.664 240 G HN 0.181 nan 8.290 nan 0.000 0.513 241 E N -0.006 120.098 120.200 -0.159 0.000 2.438 241 E HA 0.433 4.783 4.350 0.001 0.000 0.261 241 E C 1.358 178.133 176.600 0.290 0.000 1.103 241 E CA -0.194 56.278 56.400 0.119 0.000 0.959 241 E CB 0.665 30.438 29.700 0.122 0.000 0.958 241 E HN 0.434 nan 8.360 nan 0.000 0.447 242 I N 1.892 122.570 120.570 0.180 0.000 2.948 242 I HA -0.149 4.021 4.170 0.001 0.000 0.303 242 I C 0.189 176.357 176.117 0.085 0.000 1.224 242 I CA 0.785 62.179 61.300 0.157 0.000 1.442 242 I CB 0.072 38.163 38.000 0.152 0.000 1.328 242 I HN 0.272 nan 8.210 nan 0.000 0.578 243 I N 7.366 127.929 120.570 -0.011 0.000 2.336 243 I HA 0.408 4.579 4.170 0.001 0.000 0.292 243 I C 0.065 176.124 176.117 -0.098 0.000 0.991 243 I CA -0.434 60.741 61.300 -0.209 0.000 1.227 243 I CB 0.747 38.489 38.000 -0.429 0.000 1.366 243 I HN 0.567 nan 8.210 nan 0.000 0.466 244 R N 4.731 125.135 120.500 -0.160 0.000 2.808 244 R HA 0.495 4.835 4.340 0.001 0.000 0.272 244 R C -1.434 174.713 176.300 -0.255 0.000 0.995 244 R CA -0.886 55.151 56.100 -0.104 0.000 0.917 244 R CB 1.981 32.197 30.300 -0.140 0.000 1.217 244 R HN 0.297 nan 8.270 nan 0.000 0.471 245 F N 1.967 121.771 119.950 -0.243 0.000 2.423 245 F HA 0.188 4.716 4.527 0.001 0.000 0.356 245 F C 0.627 176.410 175.800 -0.029 0.000 1.170 245 F CA 0.016 57.795 58.000 -0.368 0.000 1.163 245 F CB 0.514 39.019 39.000 -0.826 0.000 1.318 245 F HN 0.206 nan 8.300 nan 0.000 0.569 246 E N 1.417 121.827 120.200 0.351 0.000 2.283 246 E HA 0.496 4.847 4.350 0.001 0.000 0.271 246 E C 0.048 176.878 176.600 0.383 0.000 1.031 246 E CA -0.533 56.037 56.400 0.284 0.000 0.868 246 E CB 1.573 31.409 29.700 0.227 0.000 1.094 246 E HN 0.521 nan 8.360 nan 0.000 0.401 247 T N -2.344 112.334 114.554 0.207 0.000 2.865 247 T HA 0.198 4.548 4.350 0.001 0.000 0.294 247 T C 0.848 175.589 174.700 0.069 0.000 1.119 247 T CA -0.868 61.303 62.100 0.117 0.000 1.007 247 T CB 1.640 70.583 68.868 0.126 0.000 1.225 247 T HN 0.508 nan 8.240 nan 0.000 0.515 248 E N 0.206 120.419 120.200 0.021 0.000 2.097 248 E HA -0.222 4.128 4.350 0.001 0.000 0.196 248 E C 1.741 178.374 176.600 0.054 0.000 1.000 248 E CA 1.693 58.106 56.400 0.023 0.000 0.804 248 E CB 0.005 29.703 29.700 -0.004 0.000 0.740 248 E HN 0.737 nan 8.360 nan 0.000 0.454 249 E N -0.637 119.602 120.200 0.066 0.000 2.051 249 E HA -0.180 4.170 4.350 0.001 0.000 0.192 249 E C 2.278 178.965 176.600 0.144 0.000 0.991 249 E CA 1.853 58.309 56.400 0.093 0.000 0.799 249 E CB -0.136 29.620 29.700 0.093 0.000 0.748 249 E HN 0.430 nan 8.360 nan 0.000 0.449 250 T N -0.661 113.994 114.554 0.168 0.000 2.788 250 T HA -0.141 4.210 4.350 0.001 0.000 0.268 250 T C 1.879 176.721 174.700 0.235 0.000 1.044 250 T CA 0.913 63.169 62.100 0.260 0.000 1.139 250 T CB -0.225 68.700 68.868 0.095 0.000 0.867 250 T HN 0.064 nan 8.240 nan 0.000 0.454 251 R N 0.966 121.556 120.500 0.149 0.000 2.075 251 R HA 0.079 4.420 4.340 0.001 0.000 0.232 251 R C 2.775 179.138 176.300 0.105 0.000 1.126 251 R CA 1.394 57.567 56.100 0.122 0.000 0.963 251 R CB -0.272 30.083 30.300 0.091 0.000 0.858 251 R HN 0.403 nan 8.270 nan 0.000 0.435 252 K N 0.656 121.110 120.400 0.090 0.000 2.026 252 K HA -0.157 4.163 4.320 0.001 0.000 0.208 252 K C 2.048 178.691 176.600 0.072 0.000 1.048 252 K CA 1.107 57.435 56.287 0.069 0.000 0.929 252 K CB -0.101 32.434 32.500 0.058 0.000 0.713 252 K HN -0.003 nan 8.250 nan 0.000 0.439 253 L N 1.703 122.980 121.223 0.090 0.000 2.093 253 L HA -0.137 4.203 4.340 0.001 0.000 0.208 253 L C 1.765 178.675 176.870 0.067 0.000 1.085 253 L CA 1.738 56.617 54.840 0.065 0.000 0.755 253 L CB -0.189 41.874 42.059 0.006 0.000 0.904 253 L HN 0.190 nan 8.230 nan 0.000 0.435 254 E N -0.395 119.872 120.200 0.111 0.000 2.106 254 E HA -0.194 4.156 4.350 0.001 0.000 0.192 254 E C 2.161 178.819 176.600 0.097 0.000 0.984 254 E CA 1.617 58.093 56.400 0.127 0.000 0.806 254 E CB -0.233 29.573 29.700 0.177 0.000 0.750 254 E HN 0.722 nan 8.360 nan 0.000 0.458 255 I N -0.711 119.908 120.570 0.080 0.000 2.761 255 I HA -0.108 4.062 4.170 0.001 0.000 0.261 255 I C 2.414 178.557 176.117 0.043 0.000 1.198 255 I CA 1.028 62.364 61.300 0.060 0.000 1.482 255 I CB -0.419 37.612 38.000 0.050 0.000 1.100 255 I HN -0.044 nan 8.210 nan 0.000 0.445 256 S N 0.990 116.713 115.700 0.038 0.000 2.423 256 S HA 0.145 4.615 4.470 0.001 0.000 0.231 256 S C 1.081 175.682 174.600 0.001 0.000 1.014 256 S CA 0.505 58.711 58.200 0.010 0.000 0.965 256 S CB -0.700 62.501 63.200 0.001 0.000 0.785 256 S HN 0.654 nan 8.310 nan 0.000 0.495 257 G N -0.241 108.579 108.800 0.034 0.000 2.921 257 G HA2 0.648 4.608 3.960 0.001 0.000 0.291 257 G HA3 0.648 4.608 3.960 0.001 0.000 0.291 257 G C -1.183 173.766 174.900 0.083 0.000 1.370 257 G CA -1.180 43.947 45.100 0.045 0.000 0.847 257 G HN 0.293 nan 8.290 nan 0.000 0.532 258 M N 1.166 120.832 119.600 0.110 0.000 2.277 258 M HA 0.303 4.784 4.480 0.001 0.000 0.350 258 M C -2.365 174.018 176.300 0.138 0.000 1.180 258 M CA -1.459 53.911 55.300 0.118 0.000 1.103 258 M CB 1.882 34.563 32.600 0.134 0.000 1.577 258 M HN 0.119 nan 8.290 nan 0.000 0.459 259 P HA -0.052 nan 4.420 nan 0.000 0.264 259 P C 0.440 177.833 177.300 0.155 0.000 1.193 259 P CA -0.131 63.047 63.100 0.129 0.000 0.763 259 P CB 0.418 32.176 31.700 0.096 0.000 0.810 260 L N 4.809 126.139 121.223 0.180 0.000 2.089 260 L HA -0.156 4.185 4.340 0.001 0.000 0.213 260 L C 2.206 179.218 176.870 0.238 0.000 1.079 260 L CA 2.552 57.535 54.840 0.238 0.000 0.758 260 L CB -1.472 40.683 42.059 0.160 0.000 0.891 260 L HN 0.541 nan 8.230 nan 0.000 0.433 261 G N -1.639 107.241 108.800 0.133 0.000 2.470 261 G HA2 -0.249 3.712 3.960 0.001 0.000 0.220 261 G HA3 -0.249 3.712 3.960 0.001 0.000 0.220 261 G C 1.175 176.118 174.900 0.072 0.000 1.121 261 G CA 0.828 45.984 45.100 0.094 0.000 0.766 261 G HN 0.428 nan 8.290 nan 0.000 0.553 262 D N -0.043 120.403 120.400 0.078 0.000 2.317 262 D HA 0.055 4.695 4.640 0.001 0.000 0.211 262 D C 2.404 178.756 176.300 0.087 0.000 0.966 262 D CA 0.297 54.322 54.000 0.043 0.000 0.876 262 D CB 0.197 41.009 40.800 0.021 0.000 0.927 262 D HN 0.344 nan 8.370 nan 0.000 0.519 263 L N -1.484 119.782 121.223 0.071 0.000 2.408 263 L HA 0.186 4.527 4.340 0.001 0.000 0.215 263 L C 0.003 176.601 176.870 -0.453 0.000 1.081 263 L CA 0.312 55.069 54.840 -0.139 0.000 0.840 263 L CB 0.306 42.287 42.059 -0.130 0.000 1.002 263 L HN -0.160 nan 8.230 nan 0.000 0.468 264 F N -1.555 118.364 119.950 -0.051 0.000 2.565 264 F HA 0.408 4.935 4.527 0.000 0.000 0.313 264 F C 0.250 175.956 175.800 -0.157 0.000 1.091 264 F CA -1.019 56.935 58.000 -0.077 0.000 0.915 264 F CB 1.140 40.136 39.000 -0.007 0.000 1.208 264 F HN -0.133 nan 8.300 nan 0.000 0.453 265 H N 3.869 123.042 119.070 0.172 0.000 2.803 265 H HA 0.377 4.934 4.556 0.001 0.000 0.330 265 H C -0.317 175.046 175.328 0.060 0.000 1.057 265 H CA 0.368 56.468 56.048 0.087 0.000 1.458 265 H CB 1.095 30.877 29.762 0.033 0.000 1.470 265 H HN 0.423 nan 8.280 nan 0.000 0.560 266 I N 4.610 125.263 120.570 0.138 0.000 2.389 266 I HA 0.280 4.450 4.170 0.001 0.000 0.288 266 I C 0.223 176.389 176.117 0.082 0.000 0.999 266 I CA -0.647 60.691 61.300 0.063 0.000 1.129 266 I CB 1.011 39.023 38.000 0.020 0.000 1.288 266 I HN 0.287 nan 8.210 nan 0.000 0.444 267 R N 4.563 125.068 120.500 0.008 0.000 2.892 267 R HA 0.573 4.914 4.340 0.001 0.000 0.265 267 R C -1.261 175.161 176.300 0.204 0.000 1.025 267 R CA -0.983 55.148 56.100 0.051 0.000 0.982 267 R CB 2.307 32.498 30.300 -0.182 0.000 1.185 267 R HN 0.383 nan 8.270 nan 0.000 0.484 268 F N 0.142 120.171 119.950 0.133 0.000 2.483 268 F HA 0.577 5.104 4.527 0.001 0.000 0.329 268 F C 0.408 176.382 175.800 0.291 0.000 1.064 268 F CA -0.519 57.563 58.000 0.136 0.000 0.986 268 F CB 1.534 40.519 39.000 -0.025 0.000 1.218 268 F HN 0.656 nan 8.300 nan 0.000 0.484 269 A N 2.440 125.271 122.820 0.018 0.000 2.507 269 A HA 0.469 4.789 4.320 0.001 0.000 0.235 269 A C -0.089 177.728 177.584 0.388 0.000 1.070 269 A CA -0.026 52.182 52.037 0.286 0.000 0.768 269 A CB -0.529 18.632 19.000 0.268 0.000 1.011 269 A HN 1.114 nan 8.150 nan 0.000 0.502 270 A N 2.202 125.241 122.820 0.366 0.000 2.520 270 A HA 0.428 4.748 4.320 0.001 0.000 0.235 270 A C 0.686 178.505 177.584 0.390 0.000 1.065 270 A CA -0.092 52.090 52.037 0.242 0.000 0.764 270 A CB 0.002 18.989 19.000 -0.021 0.000 1.002 270 A HN 0.785 nan 8.150 nan 0.000 0.502 271 R N 1.641 122.306 120.500 0.275 0.000 2.543 271 R HA 0.273 4.613 4.340 0.001 0.000 0.268 271 R C 1.744 178.249 176.300 0.342 0.000 1.067 271 R CA 0.123 56.400 56.100 0.295 0.000 1.142 271 R CB 0.003 30.421 30.300 0.197 0.000 1.110 271 R HN 0.974 nan 8.270 nan 0.000 0.549 272 S N 0.789 116.661 115.700 0.286 0.000 2.380 272 S HA -0.125 4.345 4.470 0.001 0.000 0.229 272 S C -1.010 173.735 174.600 0.241 0.000 1.043 272 S CA 1.248 59.606 58.200 0.264 0.000 1.038 272 S CB -1.095 62.193 63.200 0.146 0.000 0.872 272 S HN 0.437 nan 8.310 nan 0.000 0.456 273 P HA 0.007 nan 4.420 nan 0.000 0.220 273 P C 1.211 178.578 177.300 0.112 0.000 1.148 273 P CA 1.157 64.332 63.100 0.125 0.000 0.803 273 P CB -0.153 31.603 31.700 0.094 0.000 0.782 274 E N -1.462 118.795 120.200 0.095 0.000 2.106 274 E HA -0.133 4.218 4.350 0.001 0.000 0.192 274 E C 1.591 178.158 176.600 -0.055 0.000 0.984 274 E CA 0.960 57.351 56.400 -0.014 0.000 0.806 274 E CB -0.518 29.115 29.700 -0.113 0.000 0.750 274 E HN 0.287 nan 8.360 nan 0.000 0.458 275 F N 1.470 121.465 119.950 0.075 0.000 2.163 275 F HA -0.070 4.457 4.527 0.000 0.000 0.297 275 F C 2.228 178.082 175.800 0.089 0.000 1.094 275 F CA 1.056 59.095 58.000 0.064 0.000 1.290 275 F CB -0.066 38.947 39.000 0.022 0.000 1.017 275 F HN -0.181 nan 8.300 nan 0.000 0.483 276 K N 0.561 121.112 120.400 0.251 0.000 2.147 276 K HA -0.186 4.135 4.320 0.001 0.000 0.205 276 K C 1.777 178.455 176.600 0.131 0.000 1.049 276 K CA 1.558 57.946 56.287 0.169 0.000 0.936 276 K CB -0.182 32.396 32.500 0.129 0.000 0.722 276 K HN 0.315 nan 8.250 nan 0.000 0.446 277 K N -0.144 120.325 120.400 0.114 0.000 2.393 277 K HA -0.015 4.305 4.320 0.001 0.000 0.193 277 K C 0.125 176.766 176.600 0.067 0.000 1.026 277 K CA 0.081 56.412 56.287 0.073 0.000 1.064 277 K CB -0.026 32.502 32.500 0.045 0.000 0.833 277 K HN 0.094 nan 8.250 nan 0.000 0.521 278 H N 2.755 121.837 119.070 0.020 0.000 2.722 278 H HA 0.100 4.656 4.556 0.000 0.000 0.328 278 H C -1.572 173.772 175.328 0.028 0.000 1.067 278 H CA -1.523 54.528 56.048 0.004 0.000 1.447 278 H CB 1.334 31.083 29.762 -0.021 0.000 1.469 278 H HN -0.068 nan 8.280 nan 0.000 0.544 279 P HA -0.108 nan 4.420 nan 0.000 0.225 279 P C 0.459 177.780 177.300 0.034 0.000 1.148 279 P CA 1.262 64.284 63.100 -0.130 0.000 0.779 279 P CB 0.253 31.832 31.700 -0.201 0.000 0.780 280 A N -0.498 122.472 122.820 0.250 0.000 2.267 280 A HA 0.213 4.534 4.320 0.001 0.000 0.213 280 A C 1.015 178.738 177.584 0.232 0.000 1.192 280 A CA 0.033 52.225 52.037 0.259 0.000 0.851 280 A CB -0.262 18.920 19.000 0.304 0.000 0.881 280 A HN 0.030 nan 8.150 nan 0.000 0.494 281 V N 2.006 122.084 119.914 0.272 0.000 2.649 281 V HA 0.336 4.457 4.120 0.001 0.000 0.292 281 V C 0.140 176.336 176.094 0.170 0.000 1.055 281 V CA -0.206 62.225 62.300 0.218 0.000 1.023 281 V CB 0.828 32.805 31.823 0.258 0.000 0.992 281 V HN 0.450 nan 8.190 nan 0.000 0.480 282 R N 3.066 123.676 120.500 0.183 0.000 2.867 282 R HA 0.498 4.838 4.340 0.001 0.000 0.268 282 R C -0.035 176.410 176.300 0.242 0.000 1.014 282 R CA -0.831 55.367 56.100 0.163 0.000 0.946 282 R CB 1.594 31.962 30.300 0.113 0.000 1.208 282 R HN 0.539 nan 8.270 nan 0.000 0.477 283 K N 0.590 121.103 120.400 0.189 0.000 2.358 283 K HA 0.167 4.488 4.320 0.001 0.000 0.197 283 K C -0.251 176.490 176.600 0.234 0.000 1.025 283 K CA 0.253 56.688 56.287 0.247 0.000 1.104 283 K CB 0.713 33.299 32.500 0.143 0.000 0.855 283 K HN 0.303 nan 8.250 nan 0.000 0.531 284 E N 0.739 120.942 120.200 0.005 0.000 2.343 284 E HA 0.310 4.660 4.350 0.001 0.000 0.270 284 E C -2.691 173.379 176.600 -0.884 0.000 0.895 284 E CA -2.419 53.733 56.400 -0.413 0.000 0.767 284 E CB 1.647 31.199 29.700 -0.247 0.000 1.248 284 E HN -0.134 nan 8.360 nan 0.000 0.440 285 P HA 0.410 nan 4.420 nan 0.000 0.273 285 P C -0.146 176.817 177.300 -0.562 0.000 1.250 285 P CA -0.073 62.225 63.100 -1.336 0.000 0.793 285 P CB 0.884 31.916 31.700 -1.113 0.000 1.011 286 G N -0.497 108.086 108.800 -0.361 0.000 2.342 286 G HA2 0.384 4.344 3.960 0.001 0.000 0.297 286 G HA3 0.384 4.344 3.960 0.001 0.000 0.297 286 G C -3.313 171.519 174.900 -0.112 0.000 1.313 286 G CA -0.850 44.135 45.100 -0.192 0.000 0.830 286 G HN 0.245 nan 8.290 nan 0.000 0.506 287 P HA 0.354 nan 4.420 nan 0.000 0.261 287 P C 0.916 178.198 177.300 -0.029 0.000 1.203 287 P CA 1.804 64.878 63.100 -0.043 0.000 0.767 287 P CB 0.734 32.413 31.700 -0.034 0.000 0.785 288 G N 2.412 111.200 108.800 -0.020 0.000 2.148 288 G HA2 -0.232 3.728 3.960 0.001 0.000 0.254 288 G HA3 -0.232 3.728 3.960 0.001 0.000 0.254 288 G C -0.143 174.754 174.900 -0.006 0.000 0.981 288 G CA -0.343 44.750 45.100 -0.012 0.000 0.670 288 G HN 0.460 nan 8.290 nan 0.000 0.528 289 L N 0.349 121.575 121.223 0.005 0.000 2.322 289 L HA 0.777 5.117 4.340 0.001 0.000 0.279 289 L C 0.795 177.748 176.870 0.138 0.000 1.036 289 L CA -1.264 53.615 54.840 0.064 0.000 0.807 289 L CB 1.742 43.845 42.059 0.073 0.000 1.226 289 L HN 0.233 nan 8.230 nan 0.000 0.433 290 V N 0.306 120.284 119.914 0.107 0.000 2.960 290 V HA 0.687 4.808 4.120 0.001 0.000 0.315 290 V C -2.610 173.500 176.094 0.027 0.000 1.087 290 V CA -2.524 59.816 62.300 0.067 0.000 0.982 290 V CB 1.673 33.276 31.823 -0.367 0.000 1.039 290 V HN 0.517 nan 8.190 nan 0.000 0.437 291 P HA 0.194 nan 4.420 nan 0.000 0.271 291 P C -0.307 176.741 177.300 -0.419 0.000 1.216 291 P CA 0.024 62.794 63.100 -0.549 0.000 0.776 291 P CB 1.000 32.432 31.700 -0.447 0.000 0.881 292 V N 4.807 124.389 119.914 -0.553 0.000 2.439 292 V HA 0.059 4.179 4.120 0.001 0.000 0.271 292 V C 0.913 176.679 176.094 -0.546 0.000 1.040 292 V CA -0.088 61.859 62.300 -0.588 0.000 1.002 292 V CB -0.239 31.106 31.823 -0.797 0.000 1.000 292 V HN 0.341 nan 8.190 nan 0.000 0.477 293 L N 5.449 126.322 121.223 -0.583 0.000 2.418 293 L HA 0.570 4.910 4.340 0.001 0.000 0.265 293 L C 0.820 177.492 176.870 -0.330 0.000 1.143 293 L CA -0.056 54.412 54.840 -0.620 0.000 0.809 293 L CB 1.335 42.603 42.059 -1.318 0.000 1.124 293 L HN 0.833 nan 8.230 nan 0.000 0.456 294 T N -2.171 112.272 114.554 -0.185 0.000 2.762 294 T HA 0.368 4.718 4.350 0.001 0.000 0.272 294 T C 1.084 175.831 174.700 0.078 0.000 0.982 294 T CA -0.079 62.021 62.100 -0.000 0.000 1.013 294 T CB 1.224 70.064 68.868 -0.045 0.000 1.309 294 T HN 0.597 nan 8.240 nan 0.000 0.572 295 G N -0.232 108.600 108.800 0.053 0.000 2.462 295 G HA2 -0.136 3.824 3.960 0.001 0.000 0.220 295 G HA3 -0.136 3.824 3.960 0.001 0.000 0.220 295 G C 1.505 176.342 174.900 -0.104 0.000 1.121 295 G CA 0.207 45.316 45.100 0.015 0.000 0.758 295 G HN 0.739 nan 8.290 nan 0.000 0.559 296 R N -0.033 120.329 120.500 -0.230 0.000 2.237 296 R HA -0.000 4.340 4.340 0.001 0.000 0.219 296 R C 1.704 177.785 176.300 -0.366 0.000 1.080 296 R CA 1.055 56.885 56.100 -0.451 0.000 0.995 296 R CB -0.180 29.517 30.300 -1.005 0.000 0.875 296 R HN 0.392 nan 8.270 nan 0.000 0.462 297 N N 0.065 118.630 118.700 -0.225 0.000 2.422 297 N HA -0.019 4.722 4.740 0.001 0.000 0.181 297 N C -0.304 175.030 175.510 -0.294 0.000 1.080 297 N CA 0.101 52.999 53.050 -0.254 0.000 0.893 297 N CB 0.309 38.573 38.487 -0.372 0.000 0.973 297 N HN -0.018 nan 8.380 nan 0.000 0.456 298 L N 0.894 122.022 121.223 -0.159 0.000 2.275 298 L HA 0.429 4.770 4.340 0.001 0.000 0.288 298 L C -0.739 175.929 176.870 -0.336 0.000 1.046 298 L CA -0.291 54.459 54.840 -0.151 0.000 0.805 298 L CB 0.779 42.832 42.059 -0.009 0.000 1.193 298 L HN -0.180 nan 8.230 nan 0.000 0.426 299 K N 4.989 125.078 120.400 -0.518 0.000 2.400 299 K HA 0.638 4.959 4.320 0.001 0.000 0.246 299 K C -2.614 173.783 176.600 -0.337 0.000 0.995 299 K CA -1.943 53.992 56.287 -0.588 0.000 0.840 299 K CB 1.434 33.132 32.500 -1.337 0.000 1.293 299 K HN 0.284 nan 8.250 nan 0.000 0.445 300 P HA 0.098 nan 4.420 nan 0.000 0.264 300 P C 0.218 177.577 177.300 0.098 0.000 1.236 300 P CA 0.622 63.706 63.100 -0.026 0.000 0.811 300 P CB 0.371 32.078 31.700 0.010 0.000 0.840 301 G N 1.976 110.830 108.800 0.090 0.000 2.176 301 G HA2 -0.157 3.803 3.960 0.001 0.000 0.253 301 G HA3 -0.157 3.803 3.960 0.001 0.000 0.253 301 G C -0.345 174.756 174.900 0.334 0.000 0.979 301 G CA -0.042 45.175 45.100 0.194 0.000 0.641 301 G HN 0.606 nan 8.290 nan 0.000 0.530 302 W N -1.198 120.120 121.300 0.029 0.000 3.066 302 W HA 0.703 5.363 4.660 0.000 0.000 0.330 302 W C -1.381 175.123 176.519 -0.025 0.000 1.253 302 W CA -1.122 56.240 57.345 0.028 0.000 1.187 302 W CB 0.825 30.301 29.460 0.027 0.000 1.434 302 W HN 0.442 nan 8.180 nan 0.000 0.572 303 V N 2.034 121.964 119.914 0.026 0.000 2.540 303 V HA 0.161 4.281 4.120 0.001 0.000 0.302 303 V C -0.717 175.132 176.094 -0.408 0.000 1.035 303 V CA -0.267 61.791 62.300 -0.403 0.000 0.873 303 V CB 1.564 33.039 31.823 -0.581 0.000 0.992 303 V HN 0.486 nan 8.190 nan 0.000 0.428 304 D N 2.817 122.913 120.400 -0.506 0.000 2.365 304 D HA 0.237 4.877 4.640 0.001 0.000 0.237 304 D C 0.096 176.169 176.300 -0.378 0.000 1.190 304 D CA 0.005 53.883 54.000 -0.203 0.000 0.867 304 D CB 0.725 41.452 40.800 -0.122 0.000 1.050 304 D HN 0.490 nan 8.370 nan 0.000 0.491 305 Y N 1.799 122.019 120.300 -0.134 0.000 2.482 305 Y HA 0.152 4.702 4.550 0.001 0.000 0.270 305 Y C 1.916 177.767 175.900 -0.083 0.000 1.152 305 Y CA 0.031 57.962 58.100 -0.282 0.000 1.292 305 Y CB 0.303 38.480 38.460 -0.471 0.000 1.070 305 Y HN 0.445 nan 8.280 nan 0.000 0.528 306 E N 0.454 120.710 120.200 0.094 0.000 2.030 306 E HA -0.089 4.262 4.350 0.001 0.000 0.189 306 E C 0.790 177.405 176.600 0.025 0.000 0.974 306 E CA 0.452 56.907 56.400 0.092 0.000 0.807 306 E CB 0.061 29.818 29.700 0.095 0.000 0.771 306 E HN -0.053 nan 8.360 nan 0.000 0.451 307 K N 2.156 122.525 120.400 -0.051 0.000 2.297 307 K HA 0.039 4.359 4.320 0.001 0.000 0.286 307 K C -0.570 175.807 176.600 -0.373 0.000 1.053 307 K CA -0.149 56.022 56.287 -0.193 0.000 0.940 307 K CB 0.609 32.976 32.500 -0.221 0.000 1.019 307 K HN -0.114 nan 8.250 nan 0.000 0.475 308 N N 3.393 121.857 118.700 -0.394 0.000 2.422 308 N HA 0.086 4.826 4.740 0.001 0.000 0.266 308 N C -0.575 174.595 175.510 -0.566 0.000 1.007 308 N CA -0.004 52.734 53.050 -0.519 0.000 0.941 308 N CB 0.519 38.583 38.487 -0.705 0.000 1.115 308 N HN 0.684 nan 8.380 nan 0.000 0.492 309 H N 0.051 118.962 119.070 -0.266 0.000 2.827 309 H HA 0.110 4.666 4.556 0.001 0.000 0.269 309 H C 1.447 176.656 175.328 -0.198 0.000 1.031 309 H CA 0.286 56.221 56.048 -0.188 0.000 1.202 309 H CB 0.770 30.440 29.762 -0.154 0.000 1.511 309 H HN 0.617 nan 8.280 nan 0.000 0.517 310 S N -1.017 114.561 115.700 -0.203 0.000 2.503 310 S HA 0.171 4.641 4.470 0.001 0.000 0.215 310 S C 1.948 176.426 174.600 -0.205 0.000 1.003 310 S CA 0.390 58.466 58.200 -0.206 0.000 0.910 310 S CB 0.303 63.322 63.200 -0.303 0.000 0.790 310 S HN 0.510 nan 8.310 nan 0.000 0.514 311 G N 0.997 109.619 108.800 -0.296 0.000 2.162 311 G HA2 -0.217 3.743 3.960 0.001 0.000 0.260 311 G HA3 -0.217 3.743 3.960 0.001 0.000 0.260 311 G C -0.157 174.655 174.900 -0.147 0.000 0.976 311 G CA 0.597 45.591 45.100 -0.177 0.000 0.655 311 G HN 0.569 nan 8.290 nan 0.000 0.533 312 L N -0.741 120.260 121.223 -0.371 0.000 2.362 312 L HA 0.750 5.090 4.340 0.001 0.000 0.271 312 L C -0.050 176.614 176.870 -0.344 0.000 1.002 312 L CA -1.215 53.516 54.840 -0.182 0.000 0.818 312 L CB 1.551 43.503 42.059 -0.179 0.000 1.298 312 L HN 0.105 nan 8.230 nan 0.000 0.420 313 W N 4.447 125.708 121.300 -0.065 0.000 2.950 313 W HA 0.722 5.383 4.660 0.001 0.000 0.340 313 W C -0.362 176.129 176.519 -0.046 0.000 1.139 313 W CA -0.658 56.643 57.345 -0.073 0.000 1.188 313 W CB 2.392 31.820 29.460 -0.054 0.000 1.426 313 W HN 0.457 nan 8.180 nan 0.000 0.531 314 M N 1.358 121.044 119.600 0.145 0.000 2.682 314 M HA 0.522 5.003 4.480 0.001 0.000 0.272 314 M C -3.065 173.249 176.300 0.023 0.000 1.232 314 M CA -2.073 53.280 55.300 0.088 0.000 0.849 314 M CB 2.342 34.982 32.600 0.066 0.000 1.695 314 M HN -0.146 nan 8.290 nan 0.000 0.481 315 P HA 0.166 nan 4.420 nan 0.000 0.271 315 P C -0.321 176.936 177.300 -0.071 0.000 1.220 315 P CA -0.104 62.985 63.100 -0.018 0.000 0.768 315 P CB 0.818 32.523 31.700 0.010 0.000 0.848 316 K N 2.901 123.222 120.400 -0.131 0.000 2.103 316 K HA -0.206 4.115 4.320 0.001 0.000 0.207 316 K C 1.328 177.879 176.600 -0.082 0.000 1.048 316 K CA 1.394 57.566 56.287 -0.192 0.000 0.930 316 K CB 0.026 32.367 32.500 -0.264 0.000 0.716 316 K HN 0.414 nan 8.250 nan 0.000 0.444 317 E N 0.112 120.287 120.200 -0.041 0.000 2.338 317 E HA -0.143 4.207 4.350 0.001 0.000 0.197 317 E C 1.521 178.125 176.600 0.007 0.000 1.007 317 E CA 0.829 57.227 56.400 -0.005 0.000 0.849 317 E CB 0.110 29.813 29.700 0.005 0.000 0.774 317 E HN 0.321 nan 8.360 nan 0.000 0.506 318 R N -0.166 120.333 120.500 -0.001 0.000 2.334 318 R HA 0.235 4.575 4.340 0.001 0.000 0.216 318 R C 2.030 178.302 176.300 -0.046 0.000 0.905 318 R CA 0.430 56.533 56.100 0.006 0.000 1.064 318 R CB 0.225 30.558 30.300 0.056 0.000 1.046 318 R HN 0.005 nan 8.270 nan 0.000 0.508 319 A N 2.763 125.569 122.820 -0.025 0.000 1.940 319 A HA -0.253 4.068 4.320 0.001 0.000 0.219 319 A C 1.998 179.644 177.584 0.104 0.000 1.176 319 A CA 1.729 53.784 52.037 0.031 0.000 0.631 319 A CB -0.334 18.685 19.000 0.033 0.000 0.814 319 A HN 0.375 nan 8.150 nan 0.000 0.446 320 K N -0.055 120.380 120.400 0.058 0.000 2.360 320 K HA -0.146 4.174 4.320 0.001 0.000 0.201 320 K C 1.281 177.836 176.600 -0.076 0.000 1.046 320 K CA 1.598 57.877 56.287 -0.012 0.000 0.940 320 K CB -0.294 32.206 32.500 0.001 0.000 0.748 320 K HN 0.597 nan 8.250 nan 0.000 0.465 321 E N 0.761 120.932 120.200 -0.048 0.000 2.208 321 E HA -0.092 4.258 4.350 0.001 0.000 0.193 321 E C 1.717 178.259 176.600 -0.096 0.000 0.988 321 E CA 0.722 57.104 56.400 -0.029 0.000 0.828 321 E CB -0.040 29.726 29.700 0.110 0.000 0.763 321 E HN 0.267 nan 8.360 nan 0.000 0.478 322 L N -0.121 120.994 121.223 -0.180 0.000 2.102 322 L HA 0.025 4.366 4.340 0.001 0.000 0.202 322 L C 0.798 177.449 176.870 -0.364 0.000 1.076 322 L CA 0.897 55.578 54.840 -0.266 0.000 0.761 322 L CB 0.285 42.103 42.059 -0.402 0.000 0.921 322 L HN -0.130 nan 8.230 nan 0.000 0.444 323 R N 0.201 120.352 120.500 -0.581 0.000 2.538 323 R HA 0.137 4.477 4.340 0.001 0.000 0.292 323 R C -0.019 175.745 176.300 -0.893 0.000 1.008 323 R CA -0.333 55.134 56.100 -1.054 0.000 0.896 323 R CB 1.364 30.336 30.300 -2.214 0.000 1.187 323 R HN 0.126 nan 8.270 nan 0.000 0.440 324 D N 2.950 123.015 120.400 -0.559 0.000 2.158 324 D HA -0.217 4.424 4.640 0.001 0.000 0.197 324 D C 1.253 177.407 176.300 -0.243 0.000 0.995 324 D CA 1.564 55.395 54.000 -0.282 0.000 0.846 324 D CB -0.153 40.568 40.800 -0.132 0.000 0.941 324 D HN 0.561 nan 8.370 nan 0.000 0.456 325 F N -0.685 119.116 119.950 -0.248 0.000 2.699 325 F HA 0.082 4.609 4.527 0.001 0.000 0.298 325 F C 1.490 177.241 175.800 -0.082 0.000 1.154 325 F CA -0.251 57.609 58.000 -0.234 0.000 1.457 325 F CB -1.067 37.708 39.000 -0.375 0.000 1.106 325 F HN -0.216 nan 8.300 nan 0.000 0.585 326 Y N 1.181 121.412 120.300 -0.114 0.000 2.571 326 Y HA 0.231 4.781 4.550 0.001 0.000 0.294 326 Y C 2.410 178.403 175.900 0.156 0.000 1.141 326 Y CA -0.220 57.951 58.100 0.117 0.000 1.308 326 Y CB -1.124 37.337 38.460 0.002 0.000 1.002 326 Y HN 0.288 nan 8.280 nan 0.000 0.551 327 A N -0.401 122.555 122.820 0.227 0.000 2.067 327 A HA 0.044 4.364 4.320 0.001 0.000 0.217 327 A C 1.109 178.813 177.584 0.201 0.000 1.156 327 A CA 1.223 53.362 52.037 0.171 0.000 0.683 327 A CB -0.646 18.413 19.000 0.098 0.000 0.808 327 A HN 0.281 nan 8.150 nan 0.000 0.455 328 T N -2.848 111.861 114.554 0.260 0.000 2.893 328 T HA 0.582 4.933 4.350 0.001 0.000 0.293 328 T C -3.368 171.521 174.700 0.316 0.000 1.027 328 T CA -2.343 59.908 62.100 0.251 0.000 0.988 328 T CB 1.913 70.904 68.868 0.206 0.000 1.043 328 T HN -0.134 nan 8.240 nan 0.000 0.461 329 P HA 0.167 nan 4.420 nan 0.000 0.264 329 P C -0.339 176.764 177.300 -0.328 0.000 1.183 329 P CA 0.353 63.442 63.100 -0.019 0.000 0.763 329 P CB 0.083 31.927 31.700 0.239 0.000 0.807 330 H N 0.751 119.221 119.070 -1.000 0.000 3.003 330 H HA 0.322 4.879 4.556 0.001 0.000 0.327 330 H C -1.518 173.155 175.328 -1.092 0.000 1.353 330 H CA -1.151 54.225 56.048 -1.120 0.000 1.142 330 H CB 0.246 29.810 29.762 -0.329 0.000 1.864 330 H HN 0.178 nan 8.280 nan 0.000 0.529 331 L N 1.785 122.678 121.223 -0.550 0.000 2.410 331 L HA 0.354 4.694 4.340 0.001 0.000 0.273 331 L C -0.805 175.897 176.870 -0.279 0.000 1.152 331 L CA 0.022 54.730 54.840 -0.221 0.000 0.855 331 L CB 0.511 42.536 42.059 -0.056 0.000 1.129 331 L HN 0.457 nan 8.230 nan 0.000 0.463 332 V N 5.740 125.427 119.914 -0.378 0.000 2.604 332 V HA 0.630 4.750 4.120 0.001 0.000 0.305 332 V C -0.501 175.348 176.094 -0.408 0.000 1.043 332 V CA -0.684 61.261 62.300 -0.591 0.000 0.888 332 V CB 1.960 33.217 31.823 -0.942 0.000 0.995 332 V HN 0.558 nan 8.190 nan 0.000 0.429 333 V N 2.776 122.482 119.914 -0.347 0.000 2.709 333 V HA 0.776 4.897 4.120 0.001 0.000 0.308 333 V C 0.341 176.428 176.094 -0.013 0.000 1.062 333 V CA -0.772 61.441 62.300 -0.144 0.000 0.901 333 V CB 1.990 33.755 31.823 -0.096 0.000 1.003 333 V HN 1.035 nan 8.190 nan 0.000 0.425 334 A N 1.378 124.202 122.820 0.007 0.000 2.407 334 A HA 0.447 4.768 4.320 0.001 0.000 0.248 334 A C 0.514 178.262 177.584 0.273 0.000 1.082 334 A CA 0.267 52.334 52.037 0.051 0.000 0.785 334 A CB 0.030 19.030 19.000 0.000 0.000 1.020 334 A HN 1.115 nan 8.150 nan 0.000 0.489 335 H N 0.563 119.697 119.070 0.107 0.000 2.681 335 H HA 0.197 4.754 4.556 0.001 0.000 0.268 335 H C 0.218 175.743 175.328 0.327 0.000 0.967 335 H CA 1.580 57.771 56.048 0.240 0.000 1.233 335 H CB 0.729 30.510 29.762 0.031 0.000 1.445 335 H HN 0.474 nan 8.280 nan 0.000 0.494 336 T N 0.895 115.513 114.554 0.107 0.000 3.532 336 T HA 0.277 4.627 4.350 0.001 0.000 0.241 336 T C 0.080 174.736 174.700 -0.072 0.000 1.238 336 T CA -0.404 61.682 62.100 -0.024 0.000 1.405 336 T CB 0.079 68.971 68.868 0.039 0.000 0.971 336 T HN 0.192 nan 8.240 nan 0.000 0.640 337 K N 1.449 121.813 120.400 -0.061 0.000 2.646 337 K HA 0.491 4.812 4.320 0.001 0.000 0.206 337 K C 1.106 177.658 176.600 -0.081 0.000 1.069 337 K CA -0.460 55.785 56.287 -0.070 0.000 1.067 337 K CB 1.066 33.534 32.500 -0.052 0.000 0.807 337 K HN 0.542 nan 8.250 nan 0.000 0.482 338 G N 0.780 109.508 108.800 -0.120 0.000 2.642 338 G HA2 -0.265 3.695 3.960 0.001 0.000 0.231 338 G HA3 -0.265 3.695 3.960 0.001 0.000 0.231 338 G C -0.212 174.650 174.900 -0.064 0.000 1.338 338 G CA -0.637 44.398 45.100 -0.108 0.000 0.883 338 G HN 0.121 nan 8.290 nan 0.000 0.570 339 T N 2.523 117.042 114.554 -0.058 0.000 3.781 339 T HA 0.532 4.883 4.350 0.001 0.000 0.286 339 T C 0.621 175.301 174.700 -0.033 0.000 1.277 339 T CA 0.585 62.661 62.100 -0.038 0.000 1.136 339 T CB -0.436 68.397 68.868 -0.059 0.000 1.202 339 T HN 0.629 nan 8.240 nan 0.000 0.884 340 R N 0.778 121.265 120.500 -0.023 0.000 2.739 340 R HA 0.615 4.956 4.340 0.001 0.000 0.271 340 R C -1.547 174.737 176.300 -0.027 0.000 1.010 340 R CA -0.968 55.112 56.100 -0.033 0.000 0.897 340 R CB 2.138 32.413 30.300 -0.042 0.000 1.236 340 R HN 0.151 nan 8.270 nan 0.000 0.466 341 V N 2.376 122.258 119.914 -0.054 0.000 2.350 341 V HA 0.377 4.497 4.120 0.001 0.000 0.285 341 V C -0.613 175.432 176.094 -0.082 0.000 1.014 341 V CA -0.681 61.578 62.300 -0.069 0.000 0.831 341 V CB 1.614 33.370 31.823 -0.111 0.000 1.000 341 V HN 0.415 nan 8.190 nan 0.000 0.433 342 V N 4.284 124.158 119.914 -0.066 0.000 2.407 342 V HA 0.886 5.006 4.120 0.001 0.000 0.291 342 V C 0.166 176.206 176.094 -0.090 0.000 1.018 342 V CA -0.342 61.911 62.300 -0.077 0.000 0.842 342 V CB 1.613 33.391 31.823 -0.076 0.000 0.996 342 V HN 0.958 nan 8.190 nan 0.000 0.426 343 A N 3.961 126.728 122.820 -0.088 0.000 2.435 343 A HA 1.061 5.382 4.320 0.001 0.000 0.304 343 A C -0.488 177.068 177.584 -0.048 0.000 1.064 343 A CA -0.182 51.801 52.037 -0.090 0.000 0.727 343 A CB 2.093 21.044 19.000 -0.081 0.000 1.284 343 A HN 1.623 nan 8.150 nan 0.000 0.415 344 A N 0.876 123.668 122.820 -0.047 0.000 2.594 344 A HA 0.636 4.956 4.320 0.001 0.000 0.295 344 A C -1.437 176.207 177.584 0.100 0.000 1.071 344 A CA -0.337 51.730 52.037 0.051 0.000 0.685 344 A CB 0.854 19.867 19.000 0.023 0.000 1.285 344 A HN 1.321 nan 8.150 nan 0.000 0.405 345 W N 2.603 123.910 121.300 0.012 0.000 2.335 345 W HA 0.346 5.006 4.660 0.000 0.000 0.306 345 W C -1.050 175.513 176.519 0.074 0.000 1.216 345 W CA 0.205 57.566 57.345 0.028 0.000 1.237 345 W CB 1.228 30.732 29.460 0.074 0.000 1.243 345 W HN 0.788 nan 8.180 nan 0.000 0.493 346 D N 4.623 124.855 120.400 -0.280 0.000 2.435 346 D HA 0.026 4.666 4.640 0.001 0.000 0.230 346 D C 0.922 177.210 176.300 -0.021 0.000 1.215 346 D CA 0.334 54.324 54.000 -0.017 0.000 0.947 346 D CB 0.579 41.384 40.800 0.009 0.000 1.048 346 D HN 0.471 nan 8.370 nan 0.000 0.512 347 E N 1.993 122.352 120.200 0.265 0.000 2.208 347 E HA -0.063 4.288 4.350 0.001 0.000 0.193 347 E C 1.565 178.280 176.600 0.192 0.000 0.988 347 E CA 0.631 57.221 56.400 0.316 0.000 0.828 347 E CB 0.383 30.301 29.700 0.363 0.000 0.763 347 E HN 0.419 nan 8.360 nan 0.000 0.478 348 R N 0.111 120.683 120.500 0.120 0.000 2.200 348 R HA 0.208 4.548 4.340 0.001 0.000 0.208 348 R C 0.423 176.862 176.300 0.232 0.000 1.033 348 R CA 0.579 56.714 56.100 0.058 0.000 1.000 348 R CB 0.196 30.310 30.300 -0.310 0.000 0.906 348 R HN 0.042 nan 8.270 nan 0.000 0.462 349 A N 1.034 124.031 122.820 0.296 0.000 2.301 349 A HA -0.215 4.105 4.320 0.001 0.000 0.283 349 A C -0.770 177.070 177.584 0.427 0.000 1.419 349 A CA 0.332 52.586 52.037 0.361 0.000 0.730 349 A CB -1.976 17.197 19.000 0.290 0.000 1.161 349 A HN 0.313 nan 8.150 nan 0.000 0.356 350 Y N 1.192 121.617 120.300 0.208 0.000 2.392 350 Y HA 0.593 5.143 4.550 0.000 0.000 0.323 350 Y C -1.687 174.111 175.900 -0.169 0.000 1.291 350 Y CA -1.824 56.272 58.100 -0.006 0.000 1.345 350 Y CB 0.827 39.218 38.460 -0.115 0.000 1.320 350 Y HN 0.430 nan 8.280 nan 0.000 0.518 351 P HA 0.013 nan 4.420 nan 0.000 0.276 351 P C -1.351 175.600 177.300 -0.582 0.000 1.235 351 P CA 0.028 62.802 63.100 -0.543 0.000 0.772 351 P CB 0.387 31.931 31.700 -0.261 0.000 0.871 352 W N 2.645 123.512 121.300 -0.721 0.000 2.632 352 W HA 0.477 5.137 4.660 0.001 0.000 0.328 352 W C 1.526 177.980 176.519 -0.110 0.000 1.044 352 W CA -0.538 56.642 57.345 -0.274 0.000 1.225 352 W CB 1.870 31.339 29.460 0.016 0.000 1.396 352 W HN 0.330 nan 8.180 nan 0.000 0.499 353 R N 0.689 121.202 120.500 0.023 0.000 2.300 353 R HA 0.106 4.447 4.340 0.001 0.000 0.199 353 R C -0.227 176.215 176.300 0.237 0.000 0.920 353 R CA 0.825 56.971 56.100 0.077 0.000 1.046 353 R CB 0.431 30.619 30.300 -0.187 0.000 0.984 353 R HN 0.425 nan 8.270 nan 0.000 0.493 354 E N 0.277 120.633 120.200 0.260 0.000 2.458 354 E HA 0.267 4.618 4.350 0.001 0.000 0.278 354 E C -0.804 175.720 176.600 -0.127 0.000 1.004 354 E CA -0.697 55.771 56.400 0.113 0.000 0.823 354 E CB 1.535 31.326 29.700 0.151 0.000 1.396 354 E HN 0.025 nan 8.360 nan 0.000 0.463 355 E N -0.659 119.130 120.200 -0.684 0.000 8.611 355 E HA -0.144 4.207 4.350 0.001 0.000 0.530 355 E C -1.036 174.735 176.600 -1.380 0.000 1.374 355 E CA 0.232 56.096 56.400 -0.893 0.000 2.535 355 E CB -1.019 28.320 29.700 -0.602 0.000 0.980 355 E HN 0.350 nan 8.360 nan 0.000 0.262 356 F N 1.008 120.514 119.950 -0.741 0.000 2.384 356 F HA 0.328 4.855 4.527 0.001 0.000 0.338 356 F C 1.206 176.510 175.800 -0.826 0.000 1.103 356 F CA 0.154 57.833 58.000 -0.534 0.000 1.157 356 F CB 0.724 39.576 39.000 -0.247 0.000 1.167 356 F HN 0.138 nan 8.300 nan 0.000 0.529 357 H N 4.214 123.174 119.070 -0.183 0.000 2.727 357 H HA 0.402 4.959 4.556 0.001 0.000 0.330 357 H C -1.221 173.890 175.328 -0.362 0.000 0.986 357 H CA -0.721 55.135 56.048 -0.319 0.000 1.251 357 H CB 1.754 31.186 29.762 -0.550 0.000 1.493 357 H HN 0.349 nan 8.280 nan 0.000 0.515 358 L N 4.717 125.836 121.223 -0.172 0.000 2.287 358 L HA 0.343 4.684 4.340 0.001 0.000 0.287 358 L C -0.269 176.661 176.870 0.101 0.000 1.022 358 L CA -0.185 54.584 54.840 -0.119 0.000 0.814 358 L CB 1.330 43.126 42.059 -0.439 0.000 1.217 358 L HN 0.366 nan 8.230 nan 0.000 0.420 359 L N 4.943 126.304 121.223 0.231 0.000 2.325 359 L HA 0.571 4.912 4.340 0.001 0.000 0.281 359 L C -2.319 174.773 176.870 0.371 0.000 1.004 359 L CA -2.026 52.965 54.840 0.251 0.000 0.823 359 L CB 1.573 43.673 42.059 0.069 0.000 1.236 359 L HN 0.320 nan 8.230 nan 0.000 0.415 360 P HA 0.099 nan 4.420 nan 0.000 0.268 360 P C -0.611 176.652 177.300 -0.061 0.000 1.205 360 P CA -0.078 62.942 63.100 -0.133 0.000 0.771 360 P CB 0.597 32.238 31.700 -0.098 0.000 0.858 361 K N 1.500 121.750 120.400 -0.249 0.000 2.120 361 K HA 0.147 4.467 4.320 0.001 0.000 0.245 361 K C 0.475 176.980 176.600 -0.159 0.000 1.024 361 K CA -0.595 55.586 56.287 -0.178 0.000 0.906 361 K CB 0.363 32.688 32.500 -0.292 0.000 1.051 361 K HN 0.454 nan 8.250 nan 0.000 0.491 362 E N 0.418 120.579 120.200 -0.065 0.000 2.608 362 E HA -0.132 4.219 4.350 0.001 0.000 0.259 362 E C 0.800 177.251 176.600 -0.248 0.000 0.951 362 E CA 1.199 57.546 56.400 -0.089 0.000 0.945 362 E CB 0.282 29.978 29.700 -0.007 0.000 0.916 362 E HN 0.885 nan 8.360 nan 0.000 0.477 363 G N 2.251 110.925 108.800 -0.210 0.000 2.168 363 G HA2 -0.304 3.656 3.960 0.001 0.000 0.263 363 G HA3 -0.304 3.656 3.960 0.001 0.000 0.263 363 G C 0.395 175.057 174.900 -0.396 0.000 0.977 363 G CA 0.377 45.323 45.100 -0.256 0.000 0.659 363 G HN 0.408 nan 8.290 nan 0.000 0.533 364 V N 1.237 120.879 119.914 -0.453 0.000 2.530 364 V HA 0.436 4.556 4.120 0.001 0.000 0.282 364 V C 1.034 176.997 176.094 -0.219 0.000 1.048 364 V CA -0.191 61.852 62.300 -0.429 0.000 0.997 364 V CB 1.343 32.874 31.823 -0.488 0.000 0.987 364 V HN 0.366 nan 8.190 nan 0.000 0.477 365 R N 3.473 123.893 120.500 -0.134 0.000 2.460 365 R HA 0.666 5.006 4.340 0.001 0.000 0.303 365 R C -1.432 174.882 176.300 0.022 0.000 0.968 365 R CA -0.815 55.268 56.100 -0.029 0.000 0.889 365 R CB 1.646 31.960 30.300 0.024 0.000 1.123 365 R HN 0.428 nan 8.270 nan 0.000 0.455 366 L N 1.589 122.833 121.223 0.034 0.000 2.341 366 L HA 0.295 4.635 4.340 0.001 0.000 0.267 366 L C -0.454 176.449 176.870 0.055 0.000 1.009 366 L CA -0.367 54.520 54.840 0.078 0.000 0.819 366 L CB 1.791 43.914 42.059 0.107 0.000 1.323 366 L HN 0.458 nan 8.230 nan 0.000 0.425 367 D N 2.692 123.142 120.400 0.084 0.000 2.458 367 D HA 0.354 4.995 4.640 0.001 0.000 0.258 367 D C -2.033 174.292 176.300 0.042 0.000 1.134 367 D CA -2.030 51.998 54.000 0.046 0.000 0.915 367 D CB 1.566 42.411 40.800 0.075 0.000 1.028 367 D HN 0.124 nan 8.370 nan 0.000 0.508 368 P HA -0.212 nan 4.420 nan 0.000 0.216 368 P C 1.500 178.758 177.300 -0.069 0.000 1.157 368 P CA 1.639 64.641 63.100 -0.163 0.000 0.880 368 P CB 0.169 31.442 31.700 -0.713 0.000 0.791 369 S N -0.763 114.884 115.700 -0.088 0.000 2.382 369 S HA -0.155 4.315 4.470 0.001 0.000 0.228 369 S C 2.120 176.748 174.600 0.046 0.000 1.027 369 S CA 1.674 59.865 58.200 -0.015 0.000 0.991 369 S CB -1.624 61.564 63.200 -0.021 0.000 0.823 369 S HN 0.294 nan 8.310 nan 0.000 0.469 370 S N 1.904 117.657 115.700 0.089 0.000 2.395 370 S HA 0.069 4.539 4.470 0.001 0.000 0.225 370 S C 1.844 176.485 174.600 0.069 0.000 1.027 370 S CA 0.710 59.008 58.200 0.163 0.000 0.965 370 S CB -0.763 62.636 63.200 0.331 0.000 0.812 370 S HN 0.396 nan 8.310 nan 0.000 0.482 371 L N 2.084 123.390 121.223 0.138 0.000 2.017 371 L HA 0.067 4.407 4.340 0.001 0.000 0.208 371 L C 2.454 179.372 176.870 0.079 0.000 1.073 371 L CA 1.480 56.403 54.840 0.138 0.000 0.745 371 L CB -0.847 41.369 42.059 0.262 0.000 0.894 371 L HN 0.222 nan 8.230 nan 0.000 0.432 372 V N -0.211 119.750 119.914 0.078 0.000 2.332 372 V HA -0.369 3.752 4.120 0.001 0.000 0.248 372 V C 2.635 178.734 176.094 0.009 0.000 1.055 372 V CA 2.182 64.515 62.300 0.056 0.000 1.038 372 V CB -0.710 31.172 31.823 0.098 0.000 0.651 372 V HN 0.664 nan 8.190 nan 0.000 0.450 373 Q N -1.022 118.783 119.800 0.009 0.000 2.084 373 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 373 Q C 2.223 178.197 176.000 -0.043 0.000 0.978 373 Q CA 2.304 58.105 55.803 -0.004 0.000 0.844 373 Q CB -0.269 28.483 28.738 0.024 0.000 0.898 373 Q HN 0.848 nan 8.270 nan 0.000 0.426 374 W N 0.746 121.824 121.300 -0.369 0.000 2.358 374 W HA -0.201 4.459 4.660 0.000 0.000 0.303 374 W C 1.311 177.693 176.519 -0.229 0.000 1.208 374 W CA 0.869 57.930 57.345 -0.473 0.000 1.274 374 W CB -0.139 28.706 29.460 -1.026 0.000 1.138 374 W HN 0.201 nan 8.180 nan 0.000 0.515 375 L N 1.140 122.168 121.223 -0.325 0.000 2.141 375 L HA -0.223 4.117 4.340 0.001 0.000 0.209 375 L C 1.900 178.585 176.870 -0.308 0.000 1.094 375 L CA 1.148 55.760 54.840 -0.381 0.000 0.763 375 L CB -0.910 41.045 42.059 -0.173 0.000 0.908 375 L HN -0.046 nan 8.230 nan 0.000 0.437 376 N N -0.294 118.287 118.700 -0.198 0.000 2.398 376 N HA -0.013 4.728 4.740 0.001 0.000 0.188 376 N C 0.703 176.131 175.510 -0.137 0.000 1.122 376 N CA 0.260 53.230 53.050 -0.133 0.000 0.866 376 N CB 0.058 38.510 38.487 -0.058 0.000 0.970 376 N HN 0.281 nan 8.380 nan 0.000 0.462 377 S N 0.152 115.731 115.700 -0.202 0.000 2.579 377 S HA 0.125 4.596 4.470 0.001 0.000 0.275 377 S C 1.201 175.712 174.600 -0.148 0.000 1.345 377 S CA -0.442 57.671 58.200 -0.145 0.000 1.031 377 S CB 1.447 64.567 63.200 -0.133 0.000 0.892 377 S HN 0.125 nan 8.310 nan 0.000 0.529 378 E N 1.669 121.825 120.200 -0.073 0.000 2.097 378 E HA -0.198 4.152 4.350 0.001 0.000 0.196 378 E C 2.340 178.900 176.600 -0.067 0.000 1.000 378 E CA 1.433 57.801 56.400 -0.054 0.000 0.804 378 E CB -0.509 29.181 29.700 -0.017 0.000 0.740 378 E HN 0.849 nan 8.360 nan 0.000 0.454 379 A N 0.826 123.605 122.820 -0.069 0.000 1.940 379 A HA -0.222 4.099 4.320 0.001 0.000 0.219 379 A C 2.104 179.600 177.584 -0.147 0.000 1.176 379 A CA 1.653 53.657 52.037 -0.055 0.000 0.631 379 A CB -0.389 18.632 19.000 0.035 0.000 0.814 379 A HN 0.210 nan 8.150 nan 0.000 0.446 380 M N -0.674 118.719 119.600 -0.345 0.000 2.200 380 M HA -0.095 4.385 4.480 0.001 0.000 0.265 380 M C 1.926 178.143 176.300 -0.137 0.000 1.066 380 M CA 1.496 56.574 55.300 -0.370 0.000 1.127 380 M CB -0.393 31.820 32.600 -0.645 0.000 1.379 380 M HN 0.371 nan 8.290 nan 0.000 0.420 381 Q N 0.176 119.902 119.800 -0.124 0.000 2.079 381 Q HA -0.186 4.154 4.340 0.001 0.000 0.200 381 Q C 2.133 178.108 176.000 -0.042 0.000 0.974 381 Q CA 1.698 57.457 55.803 -0.072 0.000 0.840 381 Q CB -0.818 27.878 28.738 -0.070 0.000 0.898 381 Q HN 0.652 nan 8.270 nan 0.000 0.430 382 K N 0.015 120.398 120.400 -0.029 0.000 2.057 382 K HA -0.233 4.087 4.320 0.001 0.000 0.207 382 K C 2.072 178.676 176.600 0.007 0.000 1.049 382 K CA 1.483 57.762 56.287 -0.013 0.000 0.931 382 K CB -0.167 32.336 32.500 0.006 0.000 0.714 382 K HN 0.192 nan 8.250 nan 0.000 0.440 383 H N 0.520 119.550 119.070 -0.066 0.000 2.290 383 H HA -0.121 4.435 4.556 0.001 0.000 0.298 383 H C 1.836 177.122 175.328 -0.071 0.000 1.087 383 H CA 2.590 58.606 56.048 -0.053 0.000 1.291 383 H CB -0.221 29.515 29.762 -0.043 0.000 1.369 383 H HN 0.128 nan 8.280 nan 0.000 0.492 384 V N -1.265 118.620 119.914 -0.047 0.000 2.548 384 V HA -0.060 4.061 4.120 0.001 0.000 0.249 384 V C 2.472 178.509 176.094 -0.095 0.000 1.055 384 V CA 1.909 64.190 62.300 -0.031 0.000 1.065 384 V CB -0.702 31.198 31.823 0.129 0.000 0.681 384 V HN 0.238 nan 8.190 nan 0.000 0.462 385 R N 0.525 120.958 120.500 -0.112 0.000 2.096 385 R HA -0.106 4.234 4.340 0.001 0.000 0.235 385 R C 2.428 178.578 176.300 -0.250 0.000 1.127 385 R CA 2.221 58.227 56.100 -0.157 0.000 0.968 385 R CB -0.639 29.592 30.300 -0.116 0.000 0.861 385 R HN 0.650 nan 8.270 nan 0.000 0.440 386 T N 0.932 115.346 114.554 -0.232 0.000 2.701 386 T HA -0.102 4.248 4.350 0.001 0.000 0.263 386 T C 1.750 176.242 174.700 -0.346 0.000 1.040 386 T CA 1.280 63.238 62.100 -0.238 0.000 1.147 386 T CB -0.159 68.635 68.868 -0.122 0.000 0.865 386 T HN 0.134 nan 8.240 nan 0.000 0.426 387 L N -0.688 120.233 121.223 -0.503 0.000 2.017 387 L HA -0.086 4.254 4.340 0.001 0.000 0.208 387 L C 1.872 178.246 176.870 -0.828 0.000 1.073 387 L CA 1.509 55.886 54.840 -0.771 0.000 0.745 387 L CB -0.321 40.926 42.059 -1.353 0.000 0.894 387 L HN 0.347 nan 8.230 nan 0.000 0.432 388 Y N -1.891 118.160 120.300 -0.415 0.000 2.500 388 Y HA 0.238 4.788 4.550 0.001 0.000 0.246 388 Y C 1.343 176.514 175.900 -1.216 0.000 1.146 388 Y CA -1.023 56.634 58.100 -0.738 0.000 1.230 388 Y CB -0.051 38.187 38.460 -0.370 0.000 1.214 388 Y HN -0.004 nan 8.280 nan 0.000 0.526 389 R N 0.968 121.017 120.500 -0.752 0.000 3.614 389 R HA -0.291 4.050 4.340 0.001 0.000 0.542 389 R C -0.033 176.025 176.300 -0.405 0.000 0.241 389 R CA 2.089 57.809 56.100 -0.634 0.000 1.684 389 R CB -1.357 28.445 30.300 -0.831 0.000 0.889 389 R HN 0.428 nan 8.270 nan 0.000 0.611 390 D N -0.173 120.081 120.400 -0.243 0.000 2.720 390 D HA 0.139 4.780 4.640 0.001 0.000 0.285 390 D C 0.820 177.214 176.300 0.157 0.000 1.359 390 D CA -0.241 53.743 54.000 -0.027 0.000 0.818 390 D CB -0.101 40.725 40.800 0.043 0.000 1.108 390 D HN 0.182 nan 8.370 nan 0.000 0.474 391 F N 1.506 121.509 119.950 0.087 0.000 2.091 391 F HA -0.063 4.464 4.527 0.001 0.000 0.299 391 F C 1.520 177.349 175.800 0.049 0.000 1.103 391 F CA 0.490 58.535 58.000 0.075 0.000 1.228 391 F CB -0.873 38.158 39.000 0.052 0.000 0.984 391 F HN 0.061 nan 8.300 nan 0.000 0.477 392 V N -3.598 116.458 119.914 0.237 0.000 2.962 392 V HA 0.500 4.620 4.120 0.001 0.000 0.313 392 V C -2.478 173.632 176.094 0.027 0.000 1.099 392 V CA -1.935 60.459 62.300 0.157 0.000 0.971 392 V CB 1.998 33.958 31.823 0.228 0.000 1.028 392 V HN -0.143 nan 8.190 nan 0.000 0.430 393 P HA 0.336 nan 4.420 nan 0.000 0.235 393 P C -0.603 176.329 177.300 -0.613 0.000 1.725 393 P CA 0.498 63.401 63.100 -0.328 0.000 0.894 393 P CB -0.760 30.720 31.700 -0.367 0.000 1.704 394 H N -1.224 117.798 119.070 -0.079 0.000 3.046 394 H HA 0.413 4.969 4.556 0.001 0.000 0.361 394 H C -0.997 174.310 175.328 -0.035 0.000 1.235 394 H CA -0.949 55.017 56.048 -0.136 0.000 1.146 394 H CB 1.450 31.072 29.762 -0.234 0.000 1.859 394 H HN -0.093 nan 8.280 nan 0.000 0.548 395 L N 2.701 124.042 121.223 0.195 0.000 2.260 395 L HA 0.344 4.684 4.340 0.001 0.000 0.289 395 L C 0.237 177.349 176.870 0.403 0.000 1.057 395 L CA -0.028 54.923 54.840 0.185 0.000 0.811 395 L CB 0.348 42.503 42.059 0.159 0.000 1.184 395 L HN 0.837 nan 8.230 nan 0.000 0.429 396 T N 1.405 116.081 114.554 0.204 0.000 2.881 396 T HA 0.227 4.578 4.350 0.001 0.000 0.278 396 T C 1.080 175.821 174.700 0.069 0.000 0.982 396 T CA -0.555 61.718 62.100 0.288 0.000 0.989 396 T CB 0.907 69.855 68.868 0.133 0.000 1.058 396 T HN 0.570 nan 8.240 nan 0.000 0.529 397 L N 0.635 121.917 121.223 0.097 0.000 2.042 397 L HA -0.010 4.331 4.340 0.001 0.000 0.210 397 L C 2.676 179.476 176.870 -0.117 0.000 1.076 397 L CA 1.649 56.413 54.840 -0.128 0.000 0.749 397 L CB -0.766 41.328 42.059 0.058 0.000 0.893 397 L HN 0.584 nan 8.230 nan 0.000 0.432 398 R N -0.776 119.696 120.500 -0.046 0.000 2.120 398 R HA -0.090 4.250 4.340 0.001 0.000 0.234 398 R C 2.078 178.340 176.300 -0.063 0.000 1.123 398 R CA 1.803 57.884 56.100 -0.032 0.000 0.975 398 R CB -0.664 29.640 30.300 0.005 0.000 0.866 398 R HN 0.497 nan 8.270 nan 0.000 0.446 399 M N -0.148 119.352 119.600 -0.167 0.000 2.123 399 M HA -0.105 4.375 4.480 0.001 0.000 0.263 399 M C 2.185 178.436 176.300 -0.081 0.000 1.069 399 M CA 1.057 56.230 55.300 -0.213 0.000 1.133 399 M CB -0.403 31.905 32.600 -0.487 0.000 1.356 399 M HN 0.007 nan 8.290 nan 0.000 0.415 400 L N 1.050 122.168 121.223 -0.174 0.000 2.012 400 L HA -0.169 4.171 4.340 0.001 0.000 0.210 400 L C 2.082 178.883 176.870 -0.116 0.000 1.073 400 L CA 1.989 56.700 54.840 -0.215 0.000 0.748 400 L CB -0.658 41.089 42.059 -0.520 0.000 0.891 400 L HN 0.277 nan 8.230 nan 0.000 0.431 401 E N -0.652 119.489 120.200 -0.098 0.000 2.171 401 E HA -0.240 4.111 4.350 0.001 0.000 0.197 401 E C 2.028 178.656 176.600 0.047 0.000 0.997 401 E CA 1.271 57.660 56.400 -0.019 0.000 0.810 401 E CB -0.110 29.586 29.700 -0.006 0.000 0.738 401 E HN 0.521 nan 8.360 nan 0.000 0.467 402 R N 0.252 120.794 120.500 0.071 0.000 2.317 402 R HA 0.146 4.486 4.340 0.001 0.000 0.208 402 R C 0.338 176.741 176.300 0.170 0.000 0.914 402 R CA -0.133 56.045 56.100 0.130 0.000 1.060 402 R CB 0.124 30.523 30.300 0.165 0.000 1.015 402 R HN 0.113 nan 8.270 nan 0.000 0.498 403 L N 4.106 125.416 121.223 0.145 0.000 2.559 403 L HA 0.063 4.404 4.340 0.001 0.000 0.274 403 L C -2.015 174.973 176.870 0.196 0.000 1.205 403 L CA -1.429 53.510 54.840 0.164 0.000 0.907 403 L CB -0.059 42.054 42.059 0.090 0.000 1.153 403 L HN -0.214 nan 8.230 nan 0.000 0.490 404 P HA 0.181 nan 4.420 nan 0.000 0.285 404 P C -0.853 176.703 177.300 0.426 0.000 1.259 404 P CA -0.267 62.981 63.100 0.248 0.000 0.794 404 P CB 1.544 33.348 31.700 0.173 0.000 0.940 405 V N 4.538 124.632 119.914 0.300 0.000 2.380 405 V HA 0.318 4.439 4.120 0.001 0.000 0.286 405 V C 0.881 177.023 176.094 0.079 0.000 1.015 405 V CA -0.782 61.682 62.300 0.274 0.000 0.834 405 V CB 0.990 33.011 31.823 0.331 0.000 1.009 405 V HN 0.584 nan 8.190 nan 0.000 0.428 406 R N 4.359 124.784 120.500 -0.124 0.000 2.615 406 R HA 0.395 4.735 4.340 0.001 0.000 0.270 406 R C 0.966 177.117 176.300 -0.249 0.000 1.081 406 R CA -0.374 55.592 56.100 -0.224 0.000 1.154 406 R CB 0.863 30.928 30.300 -0.393 0.000 1.063 406 R HN 0.536 nan 8.270 nan 0.000 0.519 407 R N 0.834 121.170 120.500 -0.275 0.000 2.139 407 R HA -0.225 4.115 4.340 0.001 0.000 0.243 407 R C 1.800 177.887 176.300 -0.354 0.000 1.145 407 R CA 2.150 58.058 56.100 -0.321 0.000 0.976 407 R CB -0.312 29.682 30.300 -0.510 0.000 0.866 407 R HN 0.770 nan 8.270 nan 0.000 0.449 408 E N 0.086 119.958 120.200 -0.546 0.000 2.114 408 E HA -0.220 4.131 4.350 0.001 0.000 0.199 408 E C 1.234 177.552 176.600 -0.471 0.000 1.008 408 E CA 1.832 57.844 56.400 -0.646 0.000 0.810 408 E CB -0.117 28.933 29.700 -1.085 0.000 0.739 408 E HN 0.533 nan 8.360 nan 0.000 0.456 409 Y N -2.080 118.163 120.300 -0.095 0.000 2.524 409 Y HA 0.437 4.987 4.550 0.001 0.000 0.270 409 Y C 1.064 176.998 175.900 0.056 0.000 1.094 409 Y CA -0.133 57.959 58.100 -0.013 0.000 1.276 409 Y CB 0.958 39.414 38.460 -0.007 0.000 1.130 409 Y HN 0.069 nan 8.280 nan 0.000 0.536 410 G N 0.015 108.925 108.800 0.183 0.000 2.733 410 G HA2 0.470 4.430 3.960 0.001 0.000 0.297 410 G HA3 0.470 4.430 3.960 0.001 0.000 0.297 410 G C -2.171 172.872 174.900 0.238 0.000 1.452 410 G CA -0.547 44.674 45.100 0.202 0.000 0.940 410 G HN 0.033 nan 8.290 nan 0.000 0.547 411 F N 1.484 121.432 119.950 -0.003 0.000 2.605 411 F HA 0.380 4.907 4.527 0.001 0.000 0.320 411 F C 0.812 176.605 175.800 -0.010 0.000 1.159 411 F CA -0.815 57.184 58.000 -0.003 0.000 0.999 411 F CB 2.079 41.065 39.000 -0.024 0.000 1.258 411 F HN 0.733 nan 8.300 nan 0.000 0.464 412 H N 3.065 121.918 119.070 -0.361 0.000 2.462 412 H HA 0.121 4.678 4.556 0.001 0.000 0.292 412 H C 0.569 175.525 175.328 -0.620 0.000 1.049 412 H CA 2.023 57.825 56.048 -0.409 0.000 1.334 412 H CB 0.270 29.873 29.762 -0.265 0.000 1.404 412 H HN 0.787 nan 8.280 nan 0.000 0.544 413 T N 0.000 113.839 114.554 -1.192 0.000 3.816 413 T HA 0.000 4.350 4.350 0.001 0.000 0.228 413 T CA 0.000 61.536 62.100 -0.940 0.000 1.349 413 T CB 0.000 68.586 68.868 -0.470 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658