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 2a3c_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQ 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.589 177.584 0.009 0.000 1.274 39 A CA 0.000 52.044 52.037 0.011 0.000 0.836 39 A CB 0.000 19.006 19.000 0.009 0.000 0.831 40 S N -0.286 115.423 115.700 0.014 0.000 2.578 40 S HA 0.687 5.158 4.470 0.001 0.000 0.285 40 S C -0.241 174.362 174.600 0.004 0.000 1.126 40 S CA 0.079 58.282 58.200 0.005 0.000 0.878 40 S CB 0.599 63.802 63.200 0.005 0.000 1.091 40 S HN 2.366 nan 8.310 nan 0.000 0.450 41 S N 1.465 117.155 115.700 -0.017 0.000 2.589 41 S HA 0.825 5.295 4.470 0.001 0.000 0.265 41 S C 0.754 175.318 174.600 -0.060 0.000 1.342 41 S CA 0.192 58.369 58.200 -0.038 0.000 1.005 41 S CB 0.368 63.534 63.200 -0.057 0.000 0.909 41 S HN 2.358 nan 8.310 nan 0.000 0.555 42 G N -0.216 108.521 108.800 -0.105 0.000 2.315 42 G HA2 0.375 4.336 3.960 0.001 0.000 0.294 42 G HA3 0.375 4.336 3.960 0.001 0.000 0.294 42 G C -1.890 172.907 174.900 -0.171 0.000 1.300 42 G CA -1.055 43.950 45.100 -0.159 0.000 0.843 42 G HN 0.615 nan 8.290 nan 0.000 0.527 43 Y N 0.847 121.191 120.300 0.075 0.000 2.336 43 Y HA 0.591 5.141 4.550 0.002 0.000 0.331 43 Y C 1.542 177.398 175.900 -0.073 0.000 1.211 43 Y CA -0.007 58.105 58.100 0.019 0.000 1.346 43 Y CB 0.763 39.281 38.460 0.096 0.000 1.271 43 Y HN 0.303 nan 8.280 nan 0.000 0.538 44 R N 0.612 121.097 120.500 -0.025 0.000 2.598 44 R HA 0.563 4.904 4.340 0.001 0.000 0.279 44 R C -0.643 175.529 176.300 -0.214 0.000 0.984 44 R CA -0.854 55.123 56.100 -0.204 0.000 0.999 44 R CB 1.540 31.566 30.300 -0.458 0.000 1.114 44 R HN 0.540 nan 8.270 nan 0.000 0.493 45 S N 1.756 117.304 115.700 -0.254 0.000 2.653 45 S HA 0.341 4.812 4.470 0.001 0.000 0.272 45 S C -0.948 173.714 174.600 0.102 0.000 1.221 45 S CA -0.637 57.516 58.200 -0.079 0.000 1.149 45 S CB 0.649 63.689 63.200 -0.267 0.000 1.029 45 S HN 0.305 nan 8.310 nan 0.000 0.481 46 V N 4.776 124.776 119.914 0.142 0.000 2.513 46 V HA 0.772 4.893 4.120 0.001 0.000 0.299 46 V C -0.195 176.090 176.094 0.319 0.000 1.035 46 V CA -0.688 61.726 62.300 0.191 0.000 0.889 46 V CB 1.635 33.516 31.823 0.096 0.000 0.988 46 V HN 0.579 nan 8.190 nan 0.000 0.440 47 V N 4.742 124.811 119.914 0.259 0.000 2.808 47 V HA 0.545 4.666 4.120 0.001 0.000 0.308 47 V C -1.561 174.615 176.094 0.138 0.000 1.099 47 V CA -0.569 61.910 62.300 0.300 0.000 0.920 47 V CB 2.274 34.277 31.823 0.300 0.000 1.014 47 V HN 0.757 nan 8.190 nan 0.000 0.425 48 Y N 5.269 125.621 120.300 0.087 0.000 2.319 48 Y HA 0.446 4.997 4.550 0.001 0.000 0.328 48 Y C -0.235 175.517 175.900 -0.247 0.000 1.133 48 Y CA 0.254 58.288 58.100 -0.110 0.000 1.265 48 Y CB 1.316 39.589 38.460 -0.311 0.000 1.218 48 Y HN 0.632 nan 8.280 nan 0.000 0.508 49 F N 5.159 125.001 119.950 -0.180 0.000 2.403 49 F HA 0.532 5.060 4.527 0.001 0.000 0.355 49 F C -0.800 174.689 175.800 -0.518 0.000 1.119 49 F CA -1.265 56.584 58.000 -0.251 0.000 1.007 49 F CB 0.566 39.527 39.000 -0.065 0.000 1.194 49 F HN 0.223 nan 8.300 nan 0.000 0.443 50 V N 4.249 123.342 119.914 -1.368 0.000 2.465 50 V HA 0.278 4.399 4.120 0.001 0.000 0.279 50 V C 0.819 176.077 176.094 -1.393 0.000 1.045 50 V CA -0.489 60.816 62.300 -1.660 0.000 0.938 50 V CB 1.176 31.430 31.823 -2.616 0.000 0.986 50 V HN 0.862 nan 8.190 nan 0.000 0.467 51 N N 4.250 122.436 118.700 -0.857 0.000 2.443 51 N HA -0.161 4.580 4.740 0.001 0.000 0.184 51 N C 1.088 176.537 175.510 -0.102 0.000 1.037 51 N CA 1.725 54.604 53.050 -0.285 0.000 0.896 51 N CB -0.644 37.762 38.487 -0.136 0.000 0.959 51 N HN 0.991 nan 8.380 nan 0.000 0.442 52 W N -1.437 119.775 121.300 -0.147 0.000 3.256 52 W HA 0.620 5.280 4.660 0.001 0.000 0.269 52 W C 1.526 177.962 176.519 -0.139 0.000 1.310 52 W CA -0.221 57.144 57.345 0.034 0.000 1.673 52 W CB -0.344 29.167 29.460 0.086 0.000 1.115 52 W HN 0.101 nan 8.180 nan 0.000 0.686 53 A N 2.156 124.610 122.820 -0.611 0.000 2.121 53 A HA -0.084 4.237 4.320 0.001 0.000 0.218 53 A C 1.891 179.304 177.584 -0.285 0.000 1.154 53 A CA 1.389 53.080 52.037 -0.576 0.000 0.679 53 A CB -1.016 17.478 19.000 -0.844 0.000 0.795 53 A HN 0.685 nan 8.150 nan 0.000 0.458 54 I N -4.652 115.762 120.570 -0.259 0.000 3.291 54 I HA -0.003 4.168 4.170 0.001 0.000 0.279 54 I C 1.588 177.564 176.117 -0.235 0.000 1.294 54 I CA 0.480 61.658 61.300 -0.204 0.000 1.428 54 I CB -0.323 37.537 38.000 -0.233 0.000 1.070 54 I HN 0.215 nan 8.210 nan 0.000 0.478 55 Y N 2.006 122.330 120.300 0.040 0.000 3.173 55 Y HA 0.402 4.952 4.550 0.001 0.000 0.210 55 Y C 2.634 178.524 175.900 -0.016 0.000 0.894 55 Y CA 0.984 59.117 58.100 0.055 0.000 0.986 55 Y CB -1.311 37.197 38.460 0.081 0.000 1.094 55 Y HN -0.097 nan 8.280 nan 0.000 0.463 56 G N -0.037 108.845 108.800 0.138 0.000 2.442 56 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 56 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 56 G C 1.511 176.280 174.900 -0.219 0.000 1.141 56 G CA 0.841 45.972 45.100 0.051 0.000 0.763 56 G HN 0.314 nan 8.290 nan 0.000 0.554 57 R N -0.335 119.780 120.500 -0.641 0.000 2.235 57 R HA 0.005 4.345 4.340 0.001 0.000 0.213 57 R C 1.054 177.279 176.300 -0.125 0.000 1.059 57 R CA 0.436 56.171 56.100 -0.609 0.000 0.997 57 R CB -0.218 29.621 30.300 -0.769 0.000 0.884 57 R HN 0.339 nan 8.270 nan 0.000 0.462 58 N N 1.050 119.722 118.700 -0.046 0.000 2.699 58 N HA -0.261 4.480 4.740 0.001 0.000 0.256 58 N C -1.494 174.071 175.510 0.092 0.000 0.993 58 N CA 0.769 53.848 53.050 0.048 0.000 0.759 58 N CB -1.161 37.380 38.487 0.089 0.000 0.906 58 N HN 0.457 nan 8.380 nan 0.000 0.541 59 H N 0.186 119.215 119.070 -0.068 0.000 2.658 59 H HA 0.638 5.195 4.556 0.001 0.000 0.337 59 H C -0.623 174.766 175.328 0.102 0.000 1.009 59 H CA -0.705 55.325 56.048 -0.029 0.000 1.231 59 H CB 0.662 30.337 29.762 -0.146 0.000 1.508 59 H HN 0.379 nan 8.280 nan 0.000 0.517 60 N N 5.019 123.589 118.700 -0.217 0.000 2.402 60 N HA 0.250 4.991 4.740 0.001 0.000 0.294 60 N C -2.140 173.118 175.510 -0.419 0.000 1.203 60 N CA -1.858 51.103 53.050 -0.148 0.000 0.838 60 N CB 1.824 40.194 38.487 -0.196 0.000 1.306 60 N HN 0.355 nan 8.380 nan 0.000 0.510 61 P HA -0.208 nan 4.420 nan 0.000 0.217 61 P C 0.635 177.639 177.300 -0.493 0.000 1.151 61 P CA 1.506 64.110 63.100 -0.827 0.000 0.849 61 P CB 0.202 31.391 31.700 -0.852 0.000 0.787 62 Q N -0.710 118.816 119.800 -0.456 0.000 2.248 62 Q HA -0.172 4.169 4.340 0.001 0.000 0.208 62 Q C 1.412 177.276 176.000 -0.227 0.000 0.984 62 Q CA 1.400 57.010 55.803 -0.323 0.000 0.875 62 Q CB -0.839 27.707 28.738 -0.320 0.000 0.910 62 Q HN 0.375 nan 8.270 nan 0.000 0.433 63 D N -0.429 119.824 120.400 -0.246 0.000 2.355 63 D HA 0.018 4.659 4.640 0.001 0.000 0.218 63 D C 0.069 176.339 176.300 -0.051 0.000 1.004 63 D CA 0.177 54.097 54.000 -0.134 0.000 0.880 63 D CB 0.128 40.854 40.800 -0.123 0.000 0.911 63 D HN 0.266 nan 8.370 nan 0.000 0.528 64 L N 2.611 123.778 121.223 -0.093 0.000 2.485 64 L HA 0.072 4.413 4.340 0.001 0.000 0.275 64 L C -1.593 175.271 176.870 -0.010 0.000 1.207 64 L CA -1.046 53.791 54.840 -0.006 0.000 0.855 64 L CB 0.223 42.255 42.059 -0.045 0.000 1.114 64 L HN -0.176 nan 8.230 nan 0.000 0.485 65 P HA 0.017 nan 4.420 nan 0.000 0.225 65 P C 1.034 178.347 177.300 0.023 0.000 1.813 65 P CA -0.219 62.887 63.100 0.009 0.000 1.013 65 P CB 0.170 31.871 31.700 0.001 0.000 1.961 66 V N 0.600 120.515 119.914 0.002 0.000 2.370 66 V HA -0.291 3.829 4.120 0.001 0.000 0.252 66 V C 1.839 177.963 176.094 0.051 0.000 1.068 66 V CA 1.678 63.982 62.300 0.007 0.000 1.061 66 V CB -1.545 30.258 31.823 -0.033 0.000 0.656 66 V HN 0.214 nan 8.190 nan 0.000 0.455 67 E N 0.314 120.547 120.200 0.055 0.000 2.347 67 E HA -0.039 4.312 4.350 0.001 0.000 0.196 67 E C 1.969 178.683 176.600 0.190 0.000 1.008 67 E CA 0.754 57.207 56.400 0.087 0.000 0.852 67 E CB -0.142 29.584 29.700 0.042 0.000 0.783 67 E HN 0.630 nan 8.360 nan 0.000 0.505 68 R N 0.304 120.926 120.500 0.202 0.000 2.466 68 R HA 0.279 4.620 4.340 0.001 0.000 0.279 68 R C -0.219 176.305 176.300 0.374 0.000 0.976 68 R CA -0.008 56.301 56.100 0.350 0.000 1.081 68 R CB 0.382 30.795 30.300 0.188 0.000 1.215 68 R HN 0.026 nan 8.270 nan 0.000 0.546 69 L N -1.143 120.216 121.223 0.226 0.000 2.371 69 L HA 0.381 4.722 4.340 0.001 0.000 0.262 69 L C 1.097 177.923 176.870 -0.073 0.000 1.006 69 L CA -0.510 54.355 54.840 0.042 0.000 0.818 69 L CB 2.356 44.459 42.059 0.073 0.000 1.354 69 L HN -0.013 nan 8.230 nan 0.000 0.415 70 T N -4.149 110.314 114.554 -0.152 0.000 2.987 70 T HA 0.261 4.612 4.350 0.001 0.000 0.248 70 T C 0.205 174.742 174.700 -0.271 0.000 0.997 70 T CA 0.157 62.150 62.100 -0.178 0.000 1.013 70 T CB 0.099 68.881 68.868 -0.144 0.000 1.077 70 T HN 0.529 nan 8.240 nan 0.000 0.483 71 H N -0.277 118.794 119.070 0.003 0.000 2.806 71 H HA 0.763 5.319 4.556 0.001 0.000 0.367 71 H C -1.448 173.917 175.328 0.062 0.000 1.136 71 H CA -0.735 55.355 56.048 0.070 0.000 1.178 71 H CB 2.228 32.086 29.762 0.159 0.000 1.718 71 H HN 0.051 nan 8.280 nan 0.000 0.540 72 V N 3.800 123.808 119.914 0.156 0.000 2.540 72 V HA 0.308 4.429 4.120 0.001 0.000 0.302 72 V C -0.506 175.635 176.094 0.080 0.000 1.035 72 V CA -0.731 61.632 62.300 0.105 0.000 0.873 72 V CB 1.667 33.528 31.823 0.064 0.000 0.992 72 V HN 0.532 nan 8.190 nan 0.000 0.428 73 L N 5.065 126.282 121.223 -0.010 0.000 2.276 73 L HA 0.453 4.794 4.340 0.001 0.000 0.286 73 L C -0.965 175.919 176.870 0.024 0.000 1.024 73 L CA -0.623 54.155 54.840 -0.103 0.000 0.826 73 L CB 0.932 42.677 42.059 -0.522 0.000 1.211 73 L HN 0.617 nan 8.230 nan 0.000 0.422 74 Y N 3.671 123.931 120.300 -0.066 0.000 2.425 74 Y HA 0.536 5.087 4.550 0.001 0.000 0.347 74 Y C 0.157 176.020 175.900 -0.060 0.000 0.976 74 Y CA -0.733 57.357 58.100 -0.017 0.000 1.190 74 Y CB 0.948 39.421 38.460 0.020 0.000 1.136 74 Y HN 0.604 nan 8.280 nan 0.000 0.517 75 A N 6.348 128.850 122.820 -0.530 0.000 2.317 75 A HA 0.780 5.101 4.320 0.001 0.000 0.327 75 A C -1.669 175.579 177.584 -0.560 0.000 1.178 75 A CA -0.358 51.236 52.037 -0.739 0.000 0.817 75 A CB 0.407 18.489 19.000 -1.530 0.000 1.189 75 A HN 0.641 nan 8.150 nan 0.000 0.489 76 F N 0.098 120.112 119.950 0.107 0.000 2.613 76 F HA 0.708 5.236 4.527 0.001 0.000 0.314 76 F C 0.506 176.391 175.800 0.141 0.000 1.075 76 F CA -0.392 57.721 58.000 0.188 0.000 0.945 76 F CB 2.225 41.435 39.000 0.351 0.000 1.310 76 F HN 0.750 nan 8.300 nan 0.000 0.467 77 A N 1.588 124.583 122.820 0.291 0.000 2.320 77 A HA 0.678 4.999 4.320 0.001 0.000 0.334 77 A C -0.758 176.679 177.584 -0.244 0.000 1.147 77 A CA -0.507 51.517 52.037 -0.022 0.000 0.820 77 A CB 1.046 20.012 19.000 -0.057 0.000 1.218 77 A HN 0.693 nan 8.150 nan 0.000 0.482 78 N N -0.549 117.676 118.700 -0.791 0.000 2.518 78 N HA 0.579 5.319 4.740 0.001 0.000 0.284 78 N C -1.475 173.546 175.510 -0.816 0.000 1.230 78 N CA -0.418 51.933 53.050 -1.164 0.000 0.941 78 N CB 1.775 39.167 38.487 -1.825 0.000 1.219 78 N HN 0.602 nan 8.380 nan 0.000 0.560 79 V N 1.341 120.887 119.914 -0.613 0.000 2.577 79 V HA 0.496 4.617 4.120 0.001 0.000 0.303 79 V C -0.750 175.239 176.094 -0.174 0.000 1.042 79 V CA -0.805 61.288 62.300 -0.345 0.000 0.872 79 V CB 1.121 32.730 31.823 -0.357 0.000 0.998 79 V HN 0.645 nan 8.190 nan 0.000 0.423 80 R N 8.075 128.584 120.500 0.015 0.000 2.370 80 R HA 0.250 4.591 4.340 0.001 0.000 0.309 80 R C -1.574 174.696 176.300 -0.050 0.000 1.059 80 R CA -1.186 54.918 56.100 0.008 0.000 0.981 80 R CB 0.996 31.293 30.300 -0.005 0.000 0.972 80 R HN 0.616 nan 8.270 nan 0.000 0.437 81 P HA -0.219 nan 4.420 nan 0.000 0.217 81 P C 0.591 177.868 177.300 -0.038 0.000 1.150 81 P CA 1.414 64.471 63.100 -0.073 0.000 0.832 81 P CB 0.278 31.935 31.700 -0.073 0.000 0.787 82 E N 0.243 120.426 120.200 -0.029 0.000 2.285 82 E HA -0.069 4.282 4.350 0.001 0.000 0.194 82 E C 1.436 178.030 176.600 -0.008 0.000 0.997 82 E CA 1.745 58.134 56.400 -0.018 0.000 0.845 82 E CB -1.257 28.430 29.700 -0.022 0.000 0.782 82 E HN 0.371 nan 8.360 nan 0.000 0.491 83 T N -4.552 109.998 114.554 -0.008 0.000 2.975 83 T HA 0.426 4.777 4.350 0.001 0.000 0.261 83 T C 1.480 176.200 174.700 0.033 0.000 0.984 83 T CA 0.541 62.644 62.100 0.005 0.000 0.911 83 T CB 0.516 69.377 68.868 -0.012 0.000 1.127 83 T HN 0.306 nan 8.240 nan 0.000 0.514 84 G N 1.790 110.616 108.800 0.043 0.000 2.179 84 G HA2 -0.284 3.677 3.960 0.001 0.000 0.260 84 G HA3 -0.284 3.677 3.960 0.001 0.000 0.260 84 G C -0.151 174.792 174.900 0.073 0.000 0.977 84 G CA 0.326 45.498 45.100 0.121 0.000 0.641 84 G HN 0.925 nan 8.290 nan 0.000 0.533 85 E N 0.459 120.666 120.200 0.011 0.000 2.376 85 E HA 0.378 4.729 4.350 0.001 0.000 0.266 85 E C 0.155 176.730 176.600 -0.041 0.000 1.009 85 E CA -0.375 56.012 56.400 -0.022 0.000 0.902 85 E CB 0.638 30.323 29.700 -0.024 0.000 0.972 85 E HN 0.149 nan 8.360 nan 0.000 0.439 86 V N 6.418 126.230 119.914 -0.171 0.000 2.439 86 V HA 0.318 4.439 4.120 0.001 0.000 0.282 86 V C -0.724 175.361 176.094 -0.015 0.000 1.039 86 V CA -0.383 61.757 62.300 -0.267 0.000 0.913 86 V CB 0.316 31.797 31.823 -0.571 0.000 0.983 86 V HN 0.602 nan 8.190 nan 0.000 0.460 87 Y N 3.153 123.343 120.300 -0.184 0.000 2.571 87 Y HA 0.772 5.323 4.550 0.001 0.000 0.341 87 Y C -0.681 175.193 175.900 -0.042 0.000 1.076 87 Y CA -1.986 56.057 58.100 -0.094 0.000 1.029 87 Y CB 1.136 39.544 38.460 -0.087 0.000 1.308 87 Y HN 0.369 nan 8.280 nan 0.000 0.461 88 M N 2.096 121.768 119.600 0.120 0.000 2.245 88 M HA 0.185 4.666 4.480 0.001 0.000 0.330 88 M C 0.887 177.257 176.300 0.116 0.000 1.098 88 M CA 0.623 55.995 55.300 0.121 0.000 1.172 88 M CB 0.713 33.436 32.600 0.206 0.000 1.467 88 M HN 1.004 nan 8.290 nan 0.000 0.454 89 T N -3.516 111.111 114.554 0.122 0.000 3.010 89 T HA 0.166 4.517 4.350 0.001 0.000 0.257 89 T C -0.017 174.821 174.700 0.230 0.000 1.020 89 T CA -0.168 62.021 62.100 0.148 0.000 0.938 89 T CB 0.247 69.204 68.868 0.148 0.000 1.049 89 T HN 0.584 nan 8.240 nan 0.000 0.522 90 D N 1.474 122.029 120.400 0.259 0.000 2.323 90 D HA 0.246 4.887 4.640 0.001 0.000 0.242 90 D C 1.176 177.653 176.300 0.296 0.000 1.347 90 D CA 0.028 54.208 54.000 0.300 0.000 0.988 90 D CB 1.644 42.662 40.800 0.363 0.000 1.314 90 D HN 0.143 nan 8.370 nan 0.000 0.564 91 S N 3.165 119.031 115.700 0.275 0.000 2.400 91 S HA -0.151 4.320 4.470 0.001 0.000 0.232 91 S C 1.916 176.693 174.600 0.294 0.000 1.025 91 S CA 0.319 58.670 58.200 0.251 0.000 0.993 91 S CB -0.541 62.793 63.200 0.224 0.000 0.808 91 S HN 0.731 nan 8.310 nan 0.000 0.478 92 W N 2.397 123.796 121.300 0.164 0.000 2.378 92 W HA -0.056 4.605 4.660 0.001 0.000 0.313 92 W C 2.456 179.056 176.519 0.136 0.000 1.197 92 W CA 1.340 58.776 57.345 0.152 0.000 1.304 92 W CB -0.575 28.994 29.460 0.181 0.000 1.148 92 W HN 0.453 nan 8.180 nan 0.000 0.494 93 A N 0.675 123.580 122.820 0.142 0.000 1.929 93 A HA -0.184 4.137 4.320 0.001 0.000 0.216 93 A C 1.658 179.282 177.584 0.067 0.000 1.176 93 A CA 1.906 53.926 52.037 -0.028 0.000 0.628 93 A CB -0.929 18.144 19.000 0.121 0.000 0.816 93 A HN 0.266 nan 8.150 nan 0.000 0.444 94 D N -0.059 120.444 120.400 0.172 0.000 2.077 94 D HA -0.084 4.557 4.640 0.001 0.000 0.196 94 D C 1.754 178.063 176.300 0.015 0.000 0.986 94 D CA 2.043 56.152 54.000 0.182 0.000 0.829 94 D CB -0.171 40.771 40.800 0.236 0.000 0.983 94 D HN 0.702 nan 8.370 nan 0.000 0.453 95 I N -3.522 117.052 120.570 0.006 0.000 4.557 95 I HA 0.288 4.458 4.170 0.001 0.000 0.333 95 I C 1.131 177.273 176.117 0.040 0.000 1.332 95 I CA -0.120 61.146 61.300 -0.057 0.000 1.240 95 I CB 0.472 38.399 38.000 -0.122 0.000 1.312 95 I HN -0.250 nan 8.210 nan 0.000 0.457 96 E N 2.088 122.314 120.200 0.043 0.000 2.244 96 E HA 0.122 4.473 4.350 0.001 0.000 0.196 96 E C 0.613 177.126 176.600 -0.145 0.000 0.939 96 E CA -0.222 56.248 56.400 0.118 0.000 0.884 96 E CB 0.388 30.256 29.700 0.280 0.000 0.850 96 E HN 0.275 nan 8.360 nan 0.000 0.481 97 K N 1.623 121.554 120.400 -0.781 0.000 2.550 97 K HA -0.084 4.237 4.320 0.001 0.000 0.280 97 K C -0.833 175.405 176.600 -0.603 0.000 0.987 97 K CA 0.331 55.800 56.287 -1.364 0.000 1.048 97 K CB 0.301 31.816 32.500 -1.642 0.000 0.879 97 K HN -0.040 nan 8.250 nan 0.000 0.491 98 H N 2.315 120.983 119.070 -0.670 0.000 2.517 98 H HA 0.265 4.822 4.556 0.001 0.000 0.317 98 H C -1.151 173.855 175.328 -0.536 0.000 1.080 98 H CA -0.063 55.673 56.048 -0.520 0.000 1.301 98 H CB 0.404 29.893 29.762 -0.454 0.000 1.425 98 H HN 0.398 nan 8.280 nan 0.000 0.471 99 Y N 3.237 123.361 120.300 -0.294 0.000 2.567 99 Y HA 0.335 4.885 4.550 0.001 0.000 0.333 99 Y C -1.909 173.851 175.900 -0.232 0.000 1.106 99 Y CA -2.699 55.274 58.100 -0.213 0.000 1.157 99 Y CB 0.986 39.325 38.460 -0.200 0.000 1.277 99 Y HN 0.626 nan 8.280 nan 0.000 0.490 100 P HA 0.152 nan 4.420 nan 0.000 0.265 100 P C 0.413 177.666 177.300 -0.079 0.000 1.193 100 P CA 1.685 64.758 63.100 -0.044 0.000 0.765 100 P CB 0.463 32.154 31.700 -0.015 0.000 0.823 101 G N 1.680 110.411 108.800 -0.116 0.000 2.195 101 G HA2 -0.162 3.799 3.960 0.001 0.000 0.224 101 G HA3 -0.162 3.799 3.960 0.001 0.000 0.224 101 G C -0.273 174.528 174.900 -0.166 0.000 0.990 101 G CA -0.420 44.612 45.100 -0.112 0.000 0.639 101 G HN 0.507 nan 8.290 nan 0.000 0.514 102 D N 0.838 121.044 120.400 -0.324 0.000 2.249 102 D HA 0.620 5.261 4.640 0.001 0.000 0.246 102 D C -0.073 175.843 176.300 -0.640 0.000 1.114 102 D CA 0.523 54.179 54.000 -0.573 0.000 0.854 102 D CB 1.669 41.727 40.800 -1.238 0.000 1.132 102 D HN 0.220 nan 8.370 nan 0.000 0.461 103 S N 1.884 117.359 115.700 -0.376 0.000 2.536 103 S HA 0.251 4.721 4.470 0.001 0.000 0.287 103 S C 0.079 174.656 174.600 -0.038 0.000 1.101 103 S CA -0.858 57.199 58.200 -0.239 0.000 0.950 103 S CB 0.542 63.697 63.200 -0.075 0.000 1.056 103 S HN 0.586 nan 8.310 nan 0.000 0.481 104 W N 2.350 123.692 121.300 0.070 0.000 2.611 104 W HA -0.025 4.636 4.660 0.001 0.000 0.251 104 W C 2.422 178.985 176.519 0.074 0.000 1.265 104 W CA 0.331 57.713 57.345 0.062 0.000 1.295 104 W CB 0.040 29.509 29.460 0.015 0.000 1.129 104 W HN 0.890 nan 8.180 nan 0.000 0.630 105 S N -0.690 115.163 115.700 0.255 0.000 2.469 105 S HA -0.135 4.336 4.470 0.001 0.000 0.238 105 S C 0.416 175.115 174.600 0.165 0.000 0.998 105 S CA 0.639 58.941 58.200 0.170 0.000 0.957 105 S CB -0.483 62.780 63.200 0.104 0.000 0.764 105 S HN 0.022 nan 8.310 nan 0.000 0.514 106 D N 3.569 124.097 120.400 0.214 0.000 2.450 106 D HA 0.184 4.825 4.640 0.001 0.000 0.247 106 D C 0.796 177.202 176.300 0.178 0.000 1.162 106 D CA 0.578 54.691 54.000 0.188 0.000 0.879 106 D CB 1.148 42.094 40.800 0.244 0.000 1.163 106 D HN 0.564 nan 8.370 nan 0.000 0.472 107 T N -0.762 113.861 114.554 0.114 0.000 2.824 107 T HA 0.574 4.925 4.350 0.001 0.000 0.277 107 T C 0.947 175.696 174.700 0.083 0.000 0.975 107 T CA -0.054 62.100 62.100 0.091 0.000 0.966 107 T CB 1.418 70.322 68.868 0.059 0.000 1.054 107 T HN 0.607 nan 8.240 nan 0.000 0.533 108 G N 1.320 110.157 108.800 0.062 0.000 2.562 108 G HA2 -0.217 3.744 3.960 0.001 0.000 0.250 108 G HA3 -0.217 3.744 3.960 0.001 0.000 0.250 108 G C -0.367 174.579 174.900 0.076 0.000 1.269 108 G CA 0.013 45.143 45.100 0.050 0.000 0.919 108 G HN 1.153 nan 8.290 nan 0.000 0.574 109 N N 1.632 120.373 118.700 0.070 0.000 2.425 109 N HA 0.462 5.203 4.740 0.001 0.000 0.268 109 N C -0.432 175.203 175.510 0.207 0.000 0.991 109 N CA -0.450 52.672 53.050 0.120 0.000 0.931 109 N CB 0.296 38.807 38.487 0.039 0.000 1.130 109 N HN 0.602 nan 8.380 nan 0.000 0.493 110 N N 1.367 120.206 118.700 0.233 0.000 2.312 110 N HA 0.396 5.136 4.740 0.001 0.000 0.296 110 N C -1.532 173.840 175.510 -0.231 0.000 1.193 110 N CA -0.570 52.502 53.050 0.037 0.000 0.773 110 N CB 2.446 40.899 38.487 -0.058 0.000 1.435 110 N HN 0.215 nan 8.380 nan 0.000 0.484 111 V N 1.803 121.298 119.914 -0.698 0.000 2.495 111 V HA 0.516 4.637 4.120 0.001 0.000 0.298 111 V C -1.250 174.290 176.094 -0.925 0.000 1.031 111 V CA -0.140 61.649 62.300 -0.851 0.000 0.871 111 V CB 0.577 31.711 31.823 -1.150 0.000 0.988 111 V HN 0.645 nan 8.190 nan 0.000 0.432 112 Y N 4.197 124.379 120.300 -0.196 0.000 3.326 112 Y HA 0.820 5.371 4.550 0.001 0.000 0.306 112 Y C 1.380 177.183 175.900 -0.161 0.000 1.652 112 Y CA 0.294 58.298 58.100 -0.161 0.000 0.810 112 Y CB -0.177 38.217 38.460 -0.111 0.000 1.269 112 Y HN 0.929 nan 8.280 nan 0.000 0.744 113 G N 0.204 109.044 108.800 0.066 0.000 2.598 113 G HA2 -0.299 3.662 3.960 0.001 0.000 0.269 113 G HA3 -0.299 3.662 3.960 0.001 0.000 0.269 113 G C 0.848 175.781 174.900 0.056 0.000 1.289 113 G CA 0.001 45.094 45.100 -0.011 0.000 0.926 113 G HN 0.816 nan 8.290 nan 0.000 0.567 114 C N -0.023 119.280 119.300 0.005 0.000 2.422 114 C HA -0.004 4.457 4.460 0.001 0.000 0.279 114 C C 3.001 177.784 174.990 -0.345 0.000 1.305 114 C CA 1.071 59.997 59.018 -0.153 0.000 1.757 114 C CB -1.396 26.341 27.740 -0.005 0.000 1.962 114 C HN 0.518 nan 8.230 nan 0.000 0.499 115 I N 1.687 122.052 120.570 -0.342 0.000 2.163 115 I HA -0.194 3.976 4.170 0.001 0.000 0.243 115 I C 2.551 178.451 176.117 -0.361 0.000 1.085 115 I CA 1.710 62.750 61.300 -0.432 0.000 1.347 115 I CB -1.309 36.433 38.000 -0.431 0.000 1.044 115 I HN 0.462 nan 8.210 nan 0.000 0.408 116 K N 0.479 120.696 120.400 -0.304 0.000 2.026 116 K HA -0.202 4.119 4.320 0.001 0.000 0.208 116 K C 2.103 178.585 176.600 -0.197 0.000 1.048 116 K CA 1.220 57.354 56.287 -0.254 0.000 0.929 116 K CB 0.061 32.416 32.500 -0.241 0.000 0.713 116 K HN 0.215 nan 8.250 nan 0.000 0.439 117 Q N 0.775 120.420 119.800 -0.257 0.000 2.124 117 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 117 Q C 2.264 178.077 176.000 -0.311 0.000 0.977 117 Q CA 1.283 56.890 55.803 -0.327 0.000 0.850 117 Q CB -0.267 28.163 28.738 -0.514 0.000 0.901 117 Q HN 0.405 nan 8.270 nan 0.000 0.429 118 L N -0.771 120.251 121.223 -0.336 0.000 2.056 118 L HA -0.197 4.144 4.340 0.001 0.000 0.207 118 L C 2.384 179.126 176.870 -0.212 0.000 1.078 118 L CA 1.214 55.872 54.840 -0.303 0.000 0.749 118 L CB -0.559 41.301 42.059 -0.333 0.000 0.901 118 L HN 0.162 nan 8.230 nan 0.000 0.433 119 Y N 0.640 120.765 120.300 -0.291 0.000 2.181 119 Y HA -0.255 4.296 4.550 0.001 0.000 0.288 119 Y C 2.355 178.151 175.900 -0.173 0.000 1.146 119 Y CA 1.493 59.453 58.100 -0.234 0.000 1.164 119 Y CB -0.151 38.149 38.460 -0.267 0.000 0.982 119 Y HN 0.000 nan 8.280 nan 0.000 0.515 120 L N -0.499 120.668 121.223 -0.093 0.000 2.079 120 L HA -0.285 4.056 4.340 0.001 0.000 0.210 120 L C 2.397 179.144 176.870 -0.203 0.000 1.081 120 L CA 1.323 56.083 54.840 -0.133 0.000 0.752 120 L CB -0.666 41.324 42.059 -0.115 0.000 0.896 120 L HN 0.322 nan 8.230 nan 0.000 0.433 121 L N -0.519 120.575 121.223 -0.215 0.000 2.093 121 L HA -0.214 4.127 4.340 0.001 0.000 0.208 121 L C 2.595 179.348 176.870 -0.196 0.000 1.085 121 L CA 1.319 56.044 54.840 -0.191 0.000 0.755 121 L CB -0.504 41.440 42.059 -0.192 0.000 0.904 121 L HN 0.229 nan 8.230 nan 0.000 0.435 122 K N 0.322 120.567 120.400 -0.259 0.000 2.097 122 K HA -0.176 4.145 4.320 0.001 0.000 0.206 122 K C 2.123 178.560 176.600 -0.272 0.000 1.049 122 K CA 1.264 57.394 56.287 -0.261 0.000 0.933 122 K CB -0.037 32.262 32.500 -0.335 0.000 0.717 122 K HN 0.277 nan 8.250 nan 0.000 0.442 123 K N 0.695 120.885 120.400 -0.349 0.000 2.097 123 K HA -0.157 4.164 4.320 0.001 0.000 0.205 123 K C 2.062 178.577 176.600 -0.141 0.000 1.050 123 K CA 1.290 57.431 56.287 -0.244 0.000 0.938 123 K CB 0.040 32.413 32.500 -0.213 0.000 0.718 123 K HN 0.152 nan 8.250 nan 0.000 0.442 124 Q N 0.100 119.820 119.800 -0.133 0.000 2.389 124 Q HA 0.052 4.392 4.340 0.001 0.000 0.204 124 Q C -0.316 175.640 176.000 -0.073 0.000 0.944 124 Q CA 0.552 56.300 55.803 -0.091 0.000 0.908 124 Q CB 0.456 29.140 28.738 -0.091 0.000 1.002 124 Q HN 0.209 nan 8.270 nan 0.000 0.493 125 N N 0.282 118.933 118.700 -0.082 0.000 2.640 125 N HA 0.161 4.902 4.740 0.001 0.000 0.262 125 N C -0.355 175.121 175.510 -0.058 0.000 1.174 125 N CA -0.255 52.763 53.050 -0.053 0.000 0.791 125 N CB 1.141 39.602 38.487 -0.044 0.000 1.279 125 N HN -0.040 nan 8.380 nan 0.000 0.535 126 R N 0.595 121.067 120.500 -0.045 0.000 2.293 126 R HA -0.061 4.280 4.340 0.001 0.000 0.219 126 R C 1.079 177.362 176.300 -0.028 0.000 1.091 126 R CA 0.727 56.802 56.100 -0.041 0.000 1.004 126 R CB -0.472 29.810 30.300 -0.029 0.000 0.865 126 R HN 0.487 nan 8.270 nan 0.000 0.469 127 N N 0.184 118.873 118.700 -0.018 0.000 2.280 127 N HA -0.020 4.721 4.740 0.001 0.000 0.192 127 N C -0.595 174.880 175.510 -0.059 0.000 1.109 127 N CA -0.043 52.998 53.050 -0.015 0.000 0.855 127 N CB 0.242 38.749 38.487 0.032 0.000 0.974 127 N HN -0.030 nan 8.380 nan 0.000 0.482 128 L N 1.183 122.367 121.223 -0.064 0.000 2.261 128 L HA 0.428 4.769 4.340 0.001 0.000 0.289 128 L C -0.806 176.006 176.870 -0.098 0.000 1.059 128 L CA -0.388 54.396 54.840 -0.092 0.000 0.816 128 L CB 0.504 42.523 42.059 -0.066 0.000 1.191 128 L HN -0.154 nan 8.230 nan 0.000 0.431 129 K N 3.257 123.561 120.400 -0.159 0.000 2.130 129 K HA 0.674 4.994 4.320 0.001 0.000 0.268 129 K C -1.165 175.451 176.600 0.026 0.000 0.983 129 K CA -0.402 55.848 56.287 -0.061 0.000 0.893 129 K CB 1.975 34.415 32.500 -0.100 0.000 1.066 129 K HN 0.365 nan 8.250 nan 0.000 0.450 130 V N 4.383 124.362 119.914 0.108 0.000 2.407 130 V HA 0.399 4.519 4.120 0.001 0.000 0.291 130 V C -0.959 175.259 176.094 0.207 0.000 1.018 130 V CA -0.927 61.462 62.300 0.149 0.000 0.842 130 V CB 1.009 32.917 31.823 0.142 0.000 0.996 130 V HN 0.467 nan 8.190 nan 0.000 0.426 131 L N 4.946 126.228 121.223 0.099 0.000 2.331 131 L HA 0.601 4.942 4.340 0.001 0.000 0.275 131 L C -0.381 176.314 176.870 -0.291 0.000 1.022 131 L CA -0.531 54.285 54.840 -0.040 0.000 0.812 131 L CB 1.595 43.654 42.059 -0.000 0.000 1.257 131 L HN 0.558 nan 8.230 nan 0.000 0.435 132 L N 1.254 122.105 121.223 -0.620 0.000 2.290 132 L HA 0.493 4.834 4.340 0.001 0.000 0.284 132 L C 0.160 176.928 176.870 -0.170 0.000 1.078 132 L CA 0.553 54.982 54.840 -0.686 0.000 0.815 132 L CB 1.222 42.676 42.059 -1.009 0.000 1.162 132 L HN 0.590 nan 8.230 nan 0.000 0.435 133 S N 5.812 121.524 115.700 0.021 0.000 2.438 133 S HA 0.618 5.089 4.470 0.001 0.000 0.293 133 S C -0.330 174.507 174.600 0.395 0.000 1.141 133 S CA -0.587 57.766 58.200 0.256 0.000 1.080 133 S CB 0.005 63.438 63.200 0.389 0.000 0.978 133 S HN 0.543 nan 8.310 nan 0.000 0.479 134 I N 5.001 125.792 120.570 0.368 0.000 2.339 134 I HA 0.651 4.822 4.170 0.001 0.000 0.290 134 I C 0.920 177.294 176.117 0.430 0.000 0.994 134 I CA -0.100 61.399 61.300 0.332 0.000 1.191 134 I CB 1.226 39.392 38.000 0.276 0.000 1.343 134 I HN 0.925 nan 8.210 nan 0.000 0.458 135 G N 4.105 113.044 108.800 0.232 0.000 2.348 135 G HA2 0.376 4.337 3.960 0.001 0.000 0.199 135 G HA3 0.376 4.337 3.960 0.001 0.000 0.199 135 G C -0.094 174.473 174.900 -0.555 0.000 1.235 135 G CA 0.033 45.214 45.100 0.135 0.000 1.264 135 G HN 1.513 nan 8.290 nan 0.000 0.543 136 G N -2.854 105.605 108.800 -0.568 0.000 2.603 136 G HA2 0.183 4.143 3.960 0.001 0.000 0.686 136 G HA3 0.183 4.143 3.960 0.001 0.000 0.686 136 G C 0.497 175.213 174.900 -0.307 0.000 1.286 136 G CA 0.516 45.013 45.100 -1.004 0.000 0.871 136 G HN 1.550 nan 8.290 nan 0.000 0.568 137 W N 0.006 121.061 121.300 -0.409 0.000 2.335 137 W HA -0.040 4.620 4.660 0.001 0.000 0.311 137 W C 2.841 179.186 176.519 -0.290 0.000 1.213 137 W CA 2.286 59.453 57.345 -0.297 0.000 1.274 137 W CB -1.746 27.568 29.460 -0.242 0.000 1.148 137 W HN 0.689 nan 8.180 nan 0.000 0.498 138 T N -0.175 114.277 114.554 -0.169 0.000 2.684 138 T HA -0.232 4.118 4.350 0.001 0.000 0.267 138 T C 1.467 176.038 174.700 -0.215 0.000 1.036 138 T CA 1.843 63.774 62.100 -0.283 0.000 1.148 138 T CB -0.636 67.889 68.868 -0.573 0.000 0.863 138 T HN 0.023 nan 8.240 nan 0.000 0.436 139 Y N 1.073 121.267 120.300 -0.176 0.000 2.511 139 Y HA 0.312 4.863 4.550 0.002 0.000 0.279 139 Y C 2.660 178.398 175.900 -0.270 0.000 1.157 139 Y CA -0.940 57.018 58.100 -0.237 0.000 1.300 139 Y CB -0.836 37.434 38.460 -0.317 0.000 1.052 139 Y HN 0.101 nan 8.280 nan 0.000 0.529 140 S N 0.847 116.540 115.700 -0.011 0.000 2.402 140 S HA -0.145 4.326 4.470 0.001 0.000 0.233 140 S C -0.576 173.997 174.600 -0.045 0.000 1.030 140 S CA 1.430 59.668 58.200 0.063 0.000 1.003 140 S CB -1.012 62.261 63.200 0.122 0.000 0.813 140 S HN 0.364 nan 8.310 nan 0.000 0.477 141 P HA 0.022 nan 4.420 nan 0.000 0.225 141 P C 0.725 177.944 177.300 -0.134 0.000 1.148 141 P CA 0.763 63.833 63.100 -0.051 0.000 0.779 141 P CB -0.072 31.614 31.700 -0.023 0.000 0.780 142 N N -1.737 116.817 118.700 -0.244 0.000 2.446 142 N HA 0.011 4.752 4.740 0.001 0.000 0.179 142 N C 1.240 176.483 175.510 -0.445 0.000 1.054 142 N CA 0.618 53.482 53.050 -0.309 0.000 0.905 142 N CB -0.653 37.630 38.487 -0.339 0.000 0.973 142 N HN 0.163 nan 8.380 nan 0.000 0.448 143 F N 1.867 121.451 119.950 -0.610 0.000 2.075 143 F HA -0.072 4.456 4.527 0.001 0.000 0.297 143 F C 2.428 177.685 175.800 -0.906 0.000 1.113 143 F CA 0.983 58.335 58.000 -1.079 0.000 1.218 143 F CB -0.856 36.681 39.000 -2.438 0.000 0.984 143 F HN 0.001 nan 8.300 nan 0.000 0.472 144 A N 0.891 123.469 122.820 -0.404 0.000 1.859 144 A HA -0.203 4.118 4.320 0.001 0.000 0.217 144 A C 0.055 177.629 177.584 -0.016 0.000 1.198 144 A CA 2.258 54.292 52.037 -0.006 0.000 0.629 144 A CB -2.273 16.821 19.000 0.156 0.000 0.830 144 A HN 0.277 nan 8.150 nan 0.000 0.446 145 P HA -0.140 nan 4.420 nan 0.000 0.215 145 P C 1.608 178.892 177.300 -0.026 0.000 1.157 145 P CA 2.045 65.132 63.100 -0.022 0.000 0.863 145 P CB -0.266 31.416 31.700 -0.031 0.000 0.787 146 A N 0.534 123.314 122.820 -0.067 0.000 1.978 146 A HA -0.025 4.296 4.320 0.001 0.000 0.220 146 A C 2.330 179.920 177.584 0.009 0.000 1.170 146 A CA 2.076 54.098 52.037 -0.025 0.000 0.636 146 A CB -1.374 17.605 19.000 -0.036 0.000 0.810 146 A HN 0.280 nan 8.150 nan 0.000 0.448 147 A N -0.153 122.656 122.820 -0.018 0.000 2.308 147 A HA 0.278 4.599 4.320 0.001 0.000 0.217 147 A C 2.028 179.657 177.584 0.076 0.000 1.216 147 A CA 1.049 53.105 52.037 0.031 0.000 0.864 147 A CB -0.556 18.481 19.000 0.061 0.000 0.902 147 A HN 0.823 nan 8.150 nan 0.000 0.499 148 S N -0.107 115.631 115.700 0.064 0.000 2.481 148 S HA -0.003 4.468 4.470 0.001 0.000 0.231 148 S C 0.990 175.626 174.600 0.059 0.000 0.996 148 S CA 0.971 59.213 58.200 0.071 0.000 0.942 148 S CB -0.754 62.481 63.200 0.059 0.000 0.768 148 S HN 0.766 nan 8.310 nan 0.000 0.520 149 T N -1.809 112.777 114.554 0.053 0.000 2.907 149 T HA 0.490 4.841 4.350 0.001 0.000 0.292 149 T C 0.198 174.930 174.700 0.054 0.000 1.043 149 T CA -0.357 61.772 62.100 0.049 0.000 1.003 149 T CB 1.802 70.694 68.868 0.041 0.000 1.084 149 T HN -0.020 nan 8.240 nan 0.000 0.483 150 D N 1.492 121.923 120.400 0.051 0.000 2.144 150 D HA -0.052 4.589 4.640 0.001 0.000 0.199 150 D C 2.194 178.529 176.300 0.057 0.000 0.984 150 D CA 1.727 55.759 54.000 0.054 0.000 0.834 150 D CB -0.318 40.511 40.800 0.048 0.000 0.955 150 D HN 0.726 nan 8.370 nan 0.000 0.465 151 A N 0.019 122.870 122.820 0.051 0.000 1.898 151 A HA 0.059 4.380 4.320 0.001 0.000 0.216 151 A C 2.365 179.988 177.584 0.065 0.000 1.181 151 A CA 1.853 53.921 52.037 0.052 0.000 0.620 151 A CB -1.329 17.695 19.000 0.040 0.000 0.819 151 A HN 0.367 nan 8.150 nan 0.000 0.442 152 G N -0.366 108.473 108.800 0.065 0.000 2.433 152 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 152 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 152 G C 1.765 176.742 174.900 0.128 0.000 1.186 152 G CA 0.916 46.066 45.100 0.084 0.000 0.779 152 G HN 0.563 nan 8.290 nan 0.000 0.543 153 R N 0.468 121.029 120.500 0.101 0.000 2.083 153 R HA -0.046 4.295 4.340 0.001 0.000 0.237 153 R C 2.667 179.057 176.300 0.150 0.000 1.137 153 R CA 1.521 57.680 56.100 0.100 0.000 0.951 153 R CB -0.290 30.047 30.300 0.061 0.000 0.851 153 R HN 0.314 nan 8.270 nan 0.000 0.434 154 K N 0.150 120.621 120.400 0.119 0.000 2.097 154 K HA -0.133 4.188 4.320 0.001 0.000 0.206 154 K C 1.842 178.522 176.600 0.134 0.000 1.049 154 K CA 1.384 57.742 56.287 0.117 0.000 0.933 154 K CB -0.190 32.361 32.500 0.085 0.000 0.717 154 K HN 0.067 nan 8.250 nan 0.000 0.442 155 N N 0.685 119.463 118.700 0.130 0.000 2.270 155 N HA -0.138 4.602 4.740 0.001 0.000 0.181 155 N C 1.482 177.079 175.510 0.145 0.000 1.016 155 N CA 0.671 53.786 53.050 0.108 0.000 0.870 155 N CB -0.115 38.418 38.487 0.077 0.000 0.979 155 N HN 0.079 nan 8.380 nan 0.000 0.431 156 F N 1.125 121.097 119.950 0.036 0.000 2.075 156 F HA -0.037 4.491 4.527 0.001 0.000 0.297 156 F C 2.138 177.968 175.800 0.050 0.000 1.113 156 F CA 1.643 59.668 58.000 0.041 0.000 1.218 156 F CB -0.823 38.212 39.000 0.058 0.000 0.984 156 F HN 0.099 nan 8.300 nan 0.000 0.472 157 A N 0.214 123.299 122.820 0.442 0.000 1.877 157 A HA -0.234 4.087 4.320 0.001 0.000 0.216 157 A C 2.348 180.015 177.584 0.138 0.000 1.186 157 A CA 1.925 54.141 52.037 0.299 0.000 0.620 157 A CB -0.918 18.216 19.000 0.224 0.000 0.822 157 A HN 0.486 nan 8.150 nan 0.000 0.443 158 K N -0.423 120.041 120.400 0.107 0.000 2.026 158 K HA -0.172 4.149 4.320 0.001 0.000 0.208 158 K C 2.207 178.817 176.600 0.016 0.000 1.048 158 K CA 2.161 58.484 56.287 0.060 0.000 0.929 158 K CB -0.414 32.120 32.500 0.057 0.000 0.713 158 K HN 0.631 nan 8.250 nan 0.000 0.439 159 T N -1.284 113.267 114.554 -0.006 0.000 2.788 159 T HA -0.040 4.311 4.350 0.001 0.000 0.268 159 T C 2.052 176.706 174.700 -0.077 0.000 1.044 159 T CA 1.056 63.129 62.100 -0.045 0.000 1.139 159 T CB -0.401 68.429 68.868 -0.063 0.000 0.867 159 T HN 0.268 nan 8.240 nan 0.000 0.454 160 A N 1.106 123.853 122.820 -0.122 0.000 1.898 160 A HA 0.112 4.433 4.320 0.001 0.000 0.216 160 A C 2.611 180.155 177.584 -0.066 0.000 1.181 160 A CA 1.422 53.385 52.037 -0.124 0.000 0.620 160 A CB -1.010 17.895 19.000 -0.158 0.000 0.819 160 A HN 0.412 nan 8.150 nan 0.000 0.442 161 V N 0.286 120.165 119.914 -0.058 0.000 2.515 161 V HA -0.200 3.921 4.120 0.001 0.000 0.250 161 V C 2.526 178.505 176.094 -0.191 0.000 1.058 161 V CA 2.273 64.491 62.300 -0.136 0.000 1.064 161 V CB -0.573 31.200 31.823 -0.083 0.000 0.675 161 V HN 0.625 nan 8.190 nan 0.000 0.461 162 K N 0.736 121.076 120.400 -0.099 0.000 2.097 162 K HA -0.102 4.219 4.320 0.001 0.000 0.206 162 K C 1.867 178.424 176.600 -0.073 0.000 1.049 162 K CA 1.618 57.856 56.287 -0.082 0.000 0.933 162 K CB -0.538 31.941 32.500 -0.036 0.000 0.717 162 K HN 0.413 nan 8.250 nan 0.000 0.442 163 L N 0.288 121.494 121.223 -0.029 0.000 2.093 163 L HA -0.115 4.226 4.340 0.001 0.000 0.208 163 L C 2.434 179.331 176.870 0.044 0.000 1.085 163 L CA 1.066 55.934 54.840 0.047 0.000 0.755 163 L CB -0.434 41.694 42.059 0.116 0.000 0.904 163 L HN 0.255 nan 8.230 nan 0.000 0.435 164 L N 0.093 121.323 121.223 0.012 0.000 2.046 164 L HA -0.259 4.082 4.340 0.001 0.000 0.208 164 L C 2.812 179.544 176.870 -0.230 0.000 1.077 164 L CA 1.596 56.420 54.840 -0.028 0.000 0.747 164 L CB -0.304 41.655 42.059 -0.167 0.000 0.896 164 L HN 0.388 nan 8.230 nan 0.000 0.432 165 Q N -1.425 118.186 119.800 -0.314 0.000 2.224 165 Q HA -0.204 4.137 4.340 0.001 0.000 0.203 165 Q C 1.247 177.232 176.000 -0.025 0.000 0.970 165 Q CA 1.679 57.381 55.803 -0.168 0.000 0.865 165 Q CB -0.266 28.316 28.738 -0.260 0.000 0.922 165 Q HN 0.465 nan 8.270 nan 0.000 0.445 166 D N 1.048 121.384 120.400 -0.107 0.000 2.162 166 D HA 0.053 4.694 4.640 0.001 0.000 0.205 166 D C 1.650 177.861 176.300 -0.148 0.000 0.964 166 D CA 0.840 54.801 54.000 -0.064 0.000 0.847 166 D CB 0.210 41.010 40.800 -0.000 0.000 0.988 166 D HN 0.275 nan 8.370 nan 0.000 0.480 167 L N -0.597 120.401 121.223 -0.376 0.000 2.628 167 L HA 0.323 4.664 4.340 0.001 0.000 0.229 167 L C 0.990 177.210 176.870 -1.082 0.000 1.137 167 L CA 0.087 54.512 54.840 -0.691 0.000 0.909 167 L CB 0.180 41.787 42.059 -0.752 0.000 1.137 167 L HN 0.037 nan 8.230 nan 0.000 0.470 168 G N 0.292 108.364 108.800 -1.214 0.000 2.212 168 G HA2 -0.279 3.682 3.960 0.001 0.000 0.255 168 G HA3 -0.279 3.682 3.960 0.001 0.000 0.255 168 G C -0.134 174.248 174.900 -0.864 0.000 1.062 168 G CA -0.367 43.759 45.100 -1.624 0.000 0.815 168 G HN 0.113 nan 8.290 nan 0.000 0.497 169 F N 0.059 119.795 119.950 -0.357 0.000 2.371 169 F HA 0.441 4.969 4.527 0.001 0.000 0.329 169 F C 1.312 177.174 175.800 0.104 0.000 1.107 169 F CA -1.200 56.746 58.000 -0.090 0.000 1.137 169 F CB 0.836 39.775 39.000 -0.102 0.000 1.214 169 F HN 0.021 nan 8.300 nan 0.000 0.536 170 D N 0.632 121.269 120.400 0.395 0.000 2.349 170 D HA 0.279 4.920 4.640 0.001 0.000 0.214 170 D C 0.832 177.381 176.300 0.415 0.000 1.063 170 D CA 0.545 54.825 54.000 0.467 0.000 0.847 170 D CB 0.718 41.722 40.800 0.340 0.000 0.933 170 D HN 0.683 nan 8.370 nan 0.000 0.513 171 G N 0.017 108.952 108.800 0.225 0.000 2.315 171 G HA2 0.380 4.341 3.960 0.001 0.000 0.294 171 G HA3 0.380 4.341 3.960 0.001 0.000 0.294 171 G C -2.017 172.893 174.900 0.015 0.000 1.300 171 G CA -0.874 44.301 45.100 0.126 0.000 0.843 171 G HN 0.031 nan 8.290 nan 0.000 0.527 172 L N 0.164 121.386 121.223 -0.001 0.000 2.381 172 L HA 0.660 5.001 4.340 0.001 0.000 0.268 172 L C -1.289 175.576 176.870 -0.009 0.000 0.997 172 L CA -0.831 53.999 54.840 -0.016 0.000 0.818 172 L CB 2.462 44.546 42.059 0.041 0.000 1.310 172 L HN 0.667 nan 8.230 nan 0.000 0.416 173 D N 2.352 122.765 120.400 0.022 0.000 2.502 173 D HA 0.564 5.204 4.640 0.001 0.000 0.249 173 D C -1.093 175.316 176.300 0.182 0.000 1.092 173 D CA -0.231 53.796 54.000 0.046 0.000 0.839 173 D CB 1.489 42.306 40.800 0.029 0.000 1.264 173 D HN 0.317 nan 8.370 nan 0.000 0.511 174 I N 2.941 123.627 120.570 0.193 0.000 2.362 174 I HA 0.297 4.468 4.170 0.001 0.000 0.289 174 I C -0.777 175.492 176.117 0.253 0.000 0.994 174 I CA -0.828 60.645 61.300 0.289 0.000 1.158 174 I CB 1.682 39.871 38.000 0.315 0.000 1.315 174 I HN 0.274 nan 8.210 nan 0.000 0.451 175 D N 6.588 127.153 120.400 0.276 0.000 2.462 175 D HA 0.148 4.789 4.640 0.001 0.000 0.249 175 D C -1.059 175.298 176.300 0.096 0.000 1.117 175 D CA -0.141 53.995 54.000 0.228 0.000 0.900 175 D CB 0.907 41.904 40.800 0.329 0.000 1.039 175 D HN 0.346 nan 8.370 nan 0.000 0.516 176 W N 2.643 123.689 121.300 -0.423 0.000 2.278 176 W HA 0.385 5.046 4.660 0.001 0.000 0.317 176 W C -0.817 175.469 176.519 -0.388 0.000 1.030 176 W CA -1.141 55.779 57.345 -0.708 0.000 1.334 176 W CB 0.485 29.021 29.460 -1.540 0.000 1.215 176 W HN 0.098 nan 8.180 nan 0.000 0.405 177 E N 5.750 125.947 120.200 -0.005 0.000 2.173 177 E HA 0.342 4.693 4.350 0.001 0.000 0.249 177 E C -1.479 174.959 176.600 -0.271 0.000 0.923 177 E CA -0.080 55.842 56.400 -0.796 0.000 0.754 177 E CB 0.805 29.884 29.700 -1.036 0.000 1.177 177 E HN 0.255 nan 8.360 nan 0.000 0.430 178 Y N 0.766 121.179 120.300 0.188 0.000 2.581 178 Y HA 0.372 4.923 4.550 0.001 0.000 0.337 178 Y C -2.338 173.406 175.900 -0.259 0.000 1.108 178 Y CA -2.862 55.205 58.100 -0.055 0.000 1.033 178 Y CB 1.658 40.066 38.460 -0.086 0.000 1.318 178 Y HN 0.276 nan 8.280 nan 0.000 0.459 179 P HA 0.082 nan 4.420 nan 0.000 0.264 179 P C -0.208 176.988 177.300 -0.173 0.000 1.193 179 P CA 0.440 63.135 63.100 -0.674 0.000 0.763 179 P CB 0.639 31.809 31.700 -0.883 0.000 0.810 180 E N 1.695 121.879 120.200 -0.027 0.000 2.415 180 E HA 0.021 4.372 4.350 0.001 0.000 0.197 180 E C 0.298 176.894 176.600 -0.007 0.000 1.007 180 E CA 0.259 56.666 56.400 0.013 0.000 0.890 180 E CB 0.048 29.791 29.700 0.072 0.000 0.891 180 E HN 0.564 nan 8.360 nan 0.000 0.496 181 N N -1.056 117.631 118.700 -0.022 0.000 2.934 181 N HA 0.008 4.748 4.740 0.001 0.000 0.253 181 N C -0.164 175.326 175.510 -0.034 0.000 1.466 181 N CA -0.599 52.444 53.050 -0.011 0.000 0.858 181 N CB 0.535 39.033 38.487 0.019 0.000 1.459 181 N HN -0.271 nan 8.380 nan 0.000 0.532 182 D N -0.875 119.528 120.400 0.005 0.000 2.133 182 D HA -0.230 4.411 4.640 0.001 0.000 0.195 182 D C 1.479 177.775 176.300 -0.006 0.000 0.997 182 D CA 1.785 55.803 54.000 0.031 0.000 0.840 182 D CB 0.206 41.065 40.800 0.099 0.000 0.947 182 D HN 0.590 nan 8.370 nan 0.000 0.452 183 Q N 0.250 120.063 119.800 0.022 0.000 2.050 183 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 183 Q C 2.132 178.148 176.000 0.027 0.000 0.980 183 Q CA 1.702 57.527 55.803 0.038 0.000 0.840 183 Q CB -0.263 28.508 28.738 0.056 0.000 0.898 183 Q HN 0.441 nan 8.270 nan 0.000 0.424 184 Q N -0.835 118.978 119.800 0.021 0.000 2.084 184 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 184 Q C 2.041 177.951 176.000 -0.150 0.000 0.978 184 Q CA 1.330 57.156 55.803 0.037 0.000 0.844 184 Q CB -0.276 28.497 28.738 0.058 0.000 0.898 184 Q HN 0.515 nan 8.270 nan 0.000 0.426 185 A N 1.458 124.120 122.820 -0.263 0.000 1.902 185 A HA -0.224 4.097 4.320 0.001 0.000 0.217 185 A C 1.806 179.147 177.584 -0.405 0.000 1.181 185 A CA 1.559 53.337 52.037 -0.432 0.000 0.623 185 A CB -0.504 18.084 19.000 -0.687 0.000 0.818 185 A HN 0.302 nan 8.150 nan 0.000 0.443 186 N N 0.436 118.959 118.700 -0.296 0.000 2.084 186 N HA -0.132 4.609 4.740 0.001 0.000 0.190 186 N C 1.142 176.672 175.510 0.033 0.000 1.030 186 N CA 1.576 54.592 53.050 -0.058 0.000 0.849 186 N CB -0.463 38.064 38.487 0.066 0.000 1.012 186 N HN 0.427 nan 8.380 nan 0.000 0.423 187 D N 0.423 120.866 120.400 0.073 0.000 2.144 187 D HA -0.133 4.508 4.640 0.001 0.000 0.199 187 D C 1.718 178.160 176.300 0.237 0.000 0.984 187 D CA 0.409 54.499 54.000 0.151 0.000 0.834 187 D CB -0.377 40.543 40.800 0.199 0.000 0.955 187 D HN 0.130 nan 8.370 nan 0.000 0.465 188 F N 1.725 121.681 119.950 0.009 0.000 2.102 188 F HA -0.176 4.352 4.527 0.001 0.000 0.298 188 F C 2.226 177.993 175.800 -0.056 0.000 1.105 188 F CA 0.562 58.557 58.000 -0.008 0.000 1.239 188 F CB -0.738 38.083 39.000 -0.299 0.000 0.991 188 F HN -0.206 nan 8.300 nan 0.000 0.474 189 V N 0.818 120.743 119.914 0.018 0.000 2.287 189 V HA -0.324 3.797 4.120 0.001 0.000 0.248 189 V C 2.701 178.798 176.094 0.005 0.000 1.053 189 V CA 1.931 64.191 62.300 -0.067 0.000 1.027 189 V CB -0.838 30.977 31.823 -0.013 0.000 0.646 189 V HN 0.309 nan 8.190 nan 0.000 0.447 190 L N -0.832 120.424 121.223 0.055 0.000 2.042 190 L HA -0.210 4.131 4.340 0.001 0.000 0.210 190 L C 2.485 179.388 176.870 0.055 0.000 1.076 190 L CA 1.350 56.224 54.840 0.057 0.000 0.749 190 L CB -0.658 41.442 42.059 0.069 0.000 0.893 190 L HN 0.357 nan 8.230 nan 0.000 0.432 191 L N -0.047 121.223 121.223 0.079 0.000 2.012 191 L HA -0.217 4.124 4.340 0.001 0.000 0.210 191 L C 2.352 179.230 176.870 0.013 0.000 1.073 191 L CA 1.751 56.607 54.840 0.026 0.000 0.748 191 L CB -0.455 41.616 42.059 0.019 0.000 0.891 191 L HN 0.090 nan 8.230 nan 0.000 0.431 192 L N -0.522 120.713 121.223 0.019 0.000 2.017 192 L HA -0.245 4.096 4.340 0.001 0.000 0.208 192 L C 2.640 179.510 176.870 -0.000 0.000 1.073 192 L CA 1.718 56.541 54.840 -0.028 0.000 0.745 192 L CB -0.695 41.267 42.059 -0.162 0.000 0.894 192 L HN 0.295 nan 8.230 nan 0.000 0.432 193 K N 0.632 121.034 120.400 0.004 0.000 2.044 193 K HA -0.261 4.060 4.320 0.001 0.000 0.210 193 K C 1.959 178.590 176.600 0.051 0.000 1.049 193 K CA 1.667 57.970 56.287 0.027 0.000 0.927 193 K CB -0.164 32.354 32.500 0.030 0.000 0.713 193 K HN 0.031 nan 8.250 nan 0.000 0.443 194 E N -0.161 120.074 120.200 0.057 0.000 2.085 194 E HA -0.110 4.241 4.350 0.001 0.000 0.194 194 E C 1.853 178.515 176.600 0.104 0.000 0.994 194 E CA 1.380 57.828 56.400 0.079 0.000 0.801 194 E CB -0.213 29.536 29.700 0.081 0.000 0.743 194 E HN 0.179 nan 8.360 nan 0.000 0.453 195 V N 0.341 120.321 119.914 0.111 0.000 2.358 195 V HA -0.207 3.914 4.120 0.001 0.000 0.246 195 V C 2.410 178.574 176.094 0.116 0.000 1.047 195 V CA 1.844 64.231 62.300 0.145 0.000 1.035 195 V CB -0.498 31.430 31.823 0.175 0.000 0.658 195 V HN 0.156 nan 8.190 nan 0.000 0.452 196 R N 0.845 121.398 120.500 0.089 0.000 2.083 196 R HA -0.156 4.185 4.340 0.001 0.000 0.237 196 R C 2.313 178.679 176.300 0.109 0.000 1.137 196 R CA 2.551 58.705 56.100 0.090 0.000 0.951 196 R CB -1.292 29.050 30.300 0.069 0.000 0.851 196 R HN 0.518 nan 8.270 nan 0.000 0.434 197 T N 0.364 114.978 114.554 0.099 0.000 2.684 197 T HA -0.133 4.218 4.350 0.001 0.000 0.267 197 T C 1.808 176.580 174.700 0.120 0.000 1.036 197 T CA 1.611 63.772 62.100 0.101 0.000 1.148 197 T CB -0.607 68.312 68.868 0.085 0.000 0.863 197 T HN 0.443 nan 8.240 nan 0.000 0.436 198 A N 1.141 124.035 122.820 0.124 0.000 1.908 198 A HA -0.009 4.312 4.320 0.001 0.000 0.218 198 A C 2.326 180.015 177.584 0.176 0.000 1.181 198 A CA 1.247 53.367 52.037 0.138 0.000 0.627 198 A CB -0.882 18.194 19.000 0.127 0.000 0.818 198 A HN 0.477 nan 8.150 nan 0.000 0.445 199 L N -0.502 120.825 121.223 0.174 0.000 2.046 199 L HA -0.193 4.148 4.340 0.001 0.000 0.208 199 L C 2.127 179.192 176.870 0.325 0.000 1.077 199 L CA 1.465 56.449 54.840 0.239 0.000 0.747 199 L CB -0.620 41.561 42.059 0.203 0.000 0.896 199 L HN 0.343 nan 8.230 nan 0.000 0.432 200 D N -0.481 120.055 120.400 0.227 0.000 2.097 200 D HA -0.132 4.509 4.640 0.001 0.000 0.197 200 D C 2.363 178.766 176.300 0.171 0.000 0.984 200 D CA 1.431 55.548 54.000 0.194 0.000 0.826 200 D CB -0.119 40.767 40.800 0.144 0.000 0.973 200 D HN 0.180 nan 8.370 nan 0.000 0.460 201 S N 0.356 116.151 115.700 0.159 0.000 2.353 201 S HA -0.225 4.246 4.470 0.001 0.000 0.222 201 S C 1.918 176.597 174.600 0.131 0.000 1.035 201 S CA 1.065 59.340 58.200 0.125 0.000 1.025 201 S CB -0.701 62.573 63.200 0.122 0.000 0.902 201 S HN 0.361 nan 8.310 nan 0.000 0.440 202 Y N 2.185 122.551 120.300 0.110 0.000 2.151 202 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 202 Y C 2.766 178.767 175.900 0.167 0.000 1.166 202 Y CA 1.623 59.791 58.100 0.114 0.000 1.163 202 Y CB -0.812 37.702 38.460 0.090 0.000 0.974 202 Y HN 0.258 nan 8.280 nan 0.000 0.511 203 S N -0.057 115.739 115.700 0.160 0.000 2.356 203 S HA -0.202 4.269 4.470 0.001 0.000 0.223 203 S C 2.299 176.859 174.600 -0.066 0.000 1.032 203 S CA 1.367 59.633 58.200 0.109 0.000 1.005 203 S CB -0.932 62.398 63.200 0.215 0.000 0.867 203 S HN 0.672 nan 8.310 nan 0.000 0.449 204 A N 1.192 123.999 122.820 -0.021 0.000 1.908 204 A HA 0.111 4.432 4.320 0.001 0.000 0.218 204 A C 2.420 179.959 177.584 -0.075 0.000 1.181 204 A CA 2.045 54.062 52.037 -0.033 0.000 0.627 204 A CB -1.281 17.720 19.000 0.002 0.000 0.818 204 A HN 0.770 nan 8.150 nan 0.000 0.445 205 A N -1.055 121.697 122.820 -0.112 0.000 1.930 205 A HA -0.016 4.305 4.320 0.001 0.000 0.215 205 A C 1.642 179.108 177.584 -0.196 0.000 1.176 205 A CA 1.346 53.306 52.037 -0.128 0.000 0.632 205 A CB -0.157 18.784 19.000 -0.099 0.000 0.819 205 A HN 0.550 nan 8.150 nan 0.000 0.445 206 N N -1.746 116.731 118.700 -0.371 0.000 2.160 206 N HA 0.305 5.046 4.740 0.001 0.000 0.226 206 N C 0.229 175.573 175.510 -0.277 0.000 1.256 206 N CA 0.835 53.665 53.050 -0.366 0.000 0.890 206 N CB 1.313 39.486 38.487 -0.525 0.000 1.116 206 N HN 0.380 nan 8.380 nan 0.000 0.517 207 A N -0.148 122.547 122.820 -0.208 0.000 2.569 207 A HA 0.509 4.830 4.320 0.001 0.000 0.284 207 A C 1.078 178.596 177.584 -0.109 0.000 0.948 207 A CA 0.179 52.154 52.037 -0.103 0.000 1.007 207 A CB -0.146 18.883 19.000 0.049 0.000 1.232 207 A HN 0.083 nan 8.150 nan 0.000 0.530 208 G N -0.365 108.377 108.800 -0.096 0.000 2.341 208 G HA2 0.109 4.070 3.960 0.001 0.000 0.292 208 G HA3 0.109 4.070 3.960 0.001 0.000 0.292 208 G C 1.605 176.461 174.900 -0.073 0.000 1.021 208 G CA 1.170 46.225 45.100 -0.074 0.000 0.905 208 G HN 2.229 nan 8.290 nan 0.000 0.508 209 G N -1.597 107.159 108.800 -0.074 0.000 2.184 209 G HA2 -0.161 3.800 3.960 0.001 0.000 0.264 209 G HA3 -0.161 3.800 3.960 0.001 0.000 0.264 209 G C 0.524 175.360 174.900 -0.107 0.000 0.975 209 G CA 1.214 46.280 45.100 -0.058 0.000 0.642 209 G HN 1.983 nan 8.290 nan 0.000 0.536 210 Q N 0.396 120.073 119.800 -0.206 0.000 2.368 210 Q HA 0.193 4.534 4.340 0.001 0.000 0.331 210 Q C 0.292 176.026 176.000 -0.442 0.000 1.086 210 Q CA 0.477 56.072 55.803 -0.347 0.000 1.031 210 Q CB 0.094 28.506 28.738 -0.542 0.000 1.125 210 Q HN 0.648 nan 8.270 nan 0.000 0.389 211 H N 4.657 123.523 119.070 -0.340 0.000 2.846 211 H HA 0.270 4.827 4.556 0.001 0.000 0.278 211 H C -1.135 174.067 175.328 -0.210 0.000 1.117 211 H CA -0.392 55.529 56.048 -0.211 0.000 1.406 211 H CB -0.203 29.521 29.762 -0.063 0.000 1.445 211 H HN 0.458 nan 8.280 nan 0.000 0.469 212 F N 4.693 124.474 119.950 -0.281 0.000 2.389 212 F HA 0.200 4.728 4.527 0.001 0.000 0.337 212 F C 0.197 175.767 175.800 -0.384 0.000 1.112 212 F CA -0.609 57.280 58.000 -0.186 0.000 1.192 212 F CB 0.571 39.567 39.000 -0.007 0.000 1.185 212 F HN 0.388 nan 8.300 nan 0.000 0.552 213 L N 3.515 124.774 121.223 0.061 0.000 2.418 213 L HA 0.453 4.794 4.340 0.001 0.000 0.265 213 L C -0.741 176.116 176.870 -0.021 0.000 1.143 213 L CA -0.796 54.047 54.840 0.005 0.000 0.809 213 L CB 1.089 43.215 42.059 0.112 0.000 1.124 213 L HN 0.414 nan 8.230 nan 0.000 0.456 214 L N 2.390 123.565 121.223 -0.081 0.000 2.441 214 L HA 0.579 4.920 4.340 0.001 0.000 0.270 214 L C -0.265 176.457 176.870 -0.247 0.000 0.973 214 L CA 0.150 54.927 54.840 -0.104 0.000 0.842 214 L CB 1.759 43.788 42.059 -0.049 0.000 1.239 214 L HN 0.764 nan 8.230 nan 0.000 0.406 215 T N 1.861 116.228 114.554 -0.311 0.000 2.864 215 T HA 0.919 5.270 4.350 0.001 0.000 0.289 215 T C -0.528 174.007 174.700 -0.275 0.000 1.082 215 T CA -0.217 61.604 62.100 -0.465 0.000 1.009 215 T CB 1.750 70.136 68.868 -0.803 0.000 1.234 215 T HN 1.024 nan 8.240 nan 0.000 0.526 216 V N -2.121 117.630 119.914 -0.272 0.000 3.049 216 V HA 0.963 5.084 4.120 0.001 0.000 0.309 216 V C -0.234 175.902 176.094 0.071 0.000 1.148 216 V CA -1.347 60.906 62.300 -0.078 0.000 0.990 216 V CB 1.196 32.912 31.823 -0.178 0.000 1.039 216 V HN 1.495 nan 8.190 nan 0.000 0.430 217 A N 2.607 125.554 122.820 0.212 0.000 2.328 217 A HA 0.860 5.181 4.320 0.001 0.000 0.284 217 A C 0.397 178.164 177.584 0.305 0.000 1.160 217 A CA 0.195 52.412 52.037 0.300 0.000 0.818 217 A CB 0.378 19.610 19.000 0.388 0.000 1.087 217 A HN 1.934 nan 8.150 nan 0.000 0.504 218 S N 2.825 118.716 115.700 0.318 0.000 2.536 218 S HA 0.806 5.277 4.470 0.001 0.000 0.298 218 S C -2.970 171.840 174.600 0.350 0.000 1.083 218 S CA -1.599 56.838 58.200 0.394 0.000 0.995 218 S CB 1.935 65.444 63.200 0.515 0.000 1.058 218 S HN 0.573 nan 8.310 nan 0.000 0.488 219 P HA 0.264 nan 4.420 nan 0.000 0.271 219 P C 0.073 177.477 177.300 0.174 0.000 1.218 219 P CA -0.340 62.887 63.100 0.213 0.000 0.780 219 P CB 1.098 32.757 31.700 -0.068 0.000 0.901 220 A N 2.640 125.492 122.820 0.053 0.000 2.252 220 A HA 0.325 4.646 4.320 0.001 0.000 0.213 220 A C 1.298 178.817 177.584 -0.109 0.000 1.188 220 A CA 0.363 52.433 52.037 0.056 0.000 0.863 220 A CB -0.532 18.562 19.000 0.156 0.000 0.893 220 A HN 0.626 nan 8.150 nan 0.000 0.495 221 G N 0.749 109.410 108.800 -0.232 0.000 2.358 221 G HA2 0.427 4.388 3.960 0.001 0.000 0.273 221 G HA3 0.427 4.388 3.960 0.001 0.000 0.273 221 G C -1.544 173.277 174.900 -0.132 0.000 1.215 221 G CA -0.853 44.106 45.100 -0.235 0.000 0.910 221 G HN 0.051 nan 8.290 nan 0.000 0.467 222 P HA -0.133 nan 4.420 nan 0.000 0.216 222 P C 1.348 178.590 177.300 -0.098 0.000 1.153 222 P CA 0.977 64.031 63.100 -0.076 0.000 0.858 222 P CB 0.358 32.038 31.700 -0.034 0.000 0.789 223 D N -0.626 119.731 120.400 -0.071 0.000 2.123 223 D HA -0.163 4.477 4.640 0.001 0.000 0.196 223 D C 1.803 178.023 176.300 -0.133 0.000 0.992 223 D CA 1.356 55.306 54.000 -0.085 0.000 0.833 223 D CB -0.259 40.505 40.800 -0.059 0.000 0.954 223 D HN 0.096 nan 8.370 nan 0.000 0.455 224 K N 0.462 120.736 120.400 -0.208 0.000 2.062 224 K HA 0.074 4.395 4.320 0.001 0.000 0.205 224 K C 2.196 178.685 176.600 -0.186 0.000 1.051 224 K CA 0.229 56.352 56.287 -0.272 0.000 0.941 224 K CB -0.388 31.777 32.500 -0.559 0.000 0.719 224 K HN 0.174 nan 8.250 nan 0.000 0.440 225 I N 1.059 121.513 120.570 -0.194 0.000 2.208 225 I HA -0.311 3.859 4.170 0.001 0.000 0.245 225 I C 1.701 177.712 176.117 -0.178 0.000 1.097 225 I CA 1.108 62.271 61.300 -0.228 0.000 1.363 225 I CB -0.233 37.535 38.000 -0.387 0.000 1.051 225 I HN 0.057 nan 8.210 nan 0.000 0.413 226 K N 0.598 120.912 120.400 -0.143 0.000 2.160 226 K HA -0.119 4.202 4.320 0.001 0.000 0.206 226 K C 2.068 178.639 176.600 -0.048 0.000 1.047 226 K CA 1.123 57.354 56.287 -0.095 0.000 0.930 226 K CB -0.864 31.590 32.500 -0.077 0.000 0.720 226 K HN 0.267 nan 8.250 nan 0.000 0.450 227 V N 1.705 121.585 119.914 -0.056 0.000 2.453 227 V HA -0.114 4.007 4.120 0.001 0.000 0.247 227 V C 1.529 177.618 176.094 -0.009 0.000 1.048 227 V CA 0.687 62.966 62.300 -0.035 0.000 1.049 227 V CB -0.465 31.312 31.823 -0.077 0.000 0.672 227 V HN 0.150 nan 8.190 nan 0.000 0.457 228 L N 0.307 121.523 121.223 -0.012 0.000 2.483 228 L HA 0.116 4.457 4.340 0.001 0.000 0.275 228 L C 0.345 177.324 176.870 0.182 0.000 1.220 228 L CA 0.271 55.129 54.840 0.030 0.000 0.833 228 L CB -0.179 41.934 42.059 0.090 0.000 1.102 228 L HN 0.324 nan 8.230 nan 0.000 0.490 229 H N 3.650 122.723 119.070 0.006 0.000 2.702 229 H HA 0.173 4.730 4.556 0.001 0.000 0.252 229 H C 0.815 176.181 175.328 0.063 0.000 1.493 229 H CA -0.601 55.453 56.048 0.011 0.000 1.273 229 H CB 0.679 30.439 29.762 -0.003 0.000 1.537 229 H HN 0.587 nan 8.280 nan 0.000 0.547 230 L N 1.292 122.631 121.223 0.194 0.000 1.990 230 L HA -0.273 4.068 4.340 0.001 0.000 0.213 230 L C 2.244 179.259 176.870 0.241 0.000 1.072 230 L CA 1.651 56.630 54.840 0.231 0.000 0.755 230 L CB -0.300 41.782 42.059 0.039 0.000 0.889 230 L HN 0.500 nan 8.230 nan 0.000 0.432 231 K N -0.278 120.198 120.400 0.127 0.000 2.026 231 K HA -0.171 4.150 4.320 0.001 0.000 0.208 231 K C 1.811 178.482 176.600 0.118 0.000 1.048 231 K CA 1.560 57.913 56.287 0.110 0.000 0.929 231 K CB -0.256 32.273 32.500 0.049 0.000 0.713 231 K HN 0.287 nan 8.250 nan 0.000 0.439 232 D N 0.773 121.234 120.400 0.102 0.000 2.123 232 D HA -0.151 4.489 4.640 0.001 0.000 0.196 232 D C 1.919 178.248 176.300 0.048 0.000 0.992 232 D CA 1.345 55.390 54.000 0.075 0.000 0.833 232 D CB -0.076 40.779 40.800 0.091 0.000 0.954 232 D HN 0.205 nan 8.370 nan 0.000 0.455 233 M N 0.165 119.799 119.600 0.057 0.000 2.099 233 M HA -0.159 4.322 4.480 0.001 0.000 0.262 233 M C 1.897 178.186 176.300 -0.018 0.000 1.067 233 M CA 1.242 56.487 55.300 -0.092 0.000 1.124 233 M CB -0.220 32.277 32.600 -0.172 0.000 1.353 233 M HN -0.144 nan 8.290 nan 0.000 0.410 234 D N 0.011 120.587 120.400 0.294 0.000 2.228 234 D HA -0.227 4.414 4.640 0.001 0.000 0.203 234 D C 1.947 178.345 176.300 0.163 0.000 0.988 234 D CA 1.180 55.406 54.000 0.377 0.000 0.864 234 D CB 0.020 41.097 40.800 0.461 0.000 0.928 234 D HN 0.159 nan 8.370 nan 0.000 0.469 235 Q N -0.308 119.552 119.800 0.100 0.000 2.226 235 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 235 Q C 1.395 177.418 176.000 0.039 0.000 0.975 235 Q CA 1.338 57.180 55.803 0.065 0.000 0.866 235 Q CB -0.049 28.719 28.738 0.051 0.000 0.915 235 Q HN 0.335 nan 8.270 nan 0.000 0.440 236 Q N -0.843 118.952 119.800 -0.007 0.000 2.356 236 Q HA 0.243 4.584 4.340 0.001 0.000 0.205 236 Q C -0.121 175.846 176.000 -0.054 0.000 0.901 236 Q CA 0.132 55.919 55.803 -0.027 0.000 0.938 236 Q CB 0.727 29.423 28.738 -0.070 0.000 1.081 236 Q HN 0.319 nan 8.270 nan 0.000 0.517 237 L N 0.615 121.788 121.223 -0.084 0.000 2.331 237 L HA 0.308 4.649 4.340 0.001 0.000 0.275 237 L C 0.969 177.846 176.870 0.012 0.000 1.022 237 L CA -0.523 54.232 54.840 -0.142 0.000 0.812 237 L CB 1.225 43.026 42.059 -0.430 0.000 1.257 237 L HN -0.147 nan 8.230 nan 0.000 0.435 238 D N 1.352 121.758 120.400 0.009 0.000 2.240 238 D HA 0.084 4.725 4.640 0.001 0.000 0.206 238 D C -0.275 176.243 176.300 0.362 0.000 0.963 238 D CA 1.360 55.476 54.000 0.193 0.000 0.863 238 D CB 0.588 41.519 40.800 0.218 0.000 0.973 238 D HN 0.355 nan 8.370 nan 0.000 0.501 239 F N -2.364 117.600 119.950 0.025 0.000 2.842 239 F HA 0.461 4.989 4.527 0.001 0.000 0.319 239 F C -2.279 173.554 175.800 0.056 0.000 1.159 239 F CA -1.657 56.410 58.000 0.111 0.000 0.902 239 F CB 0.418 39.449 39.000 0.052 0.000 1.311 239 F HN -0.346 nan 8.300 nan 0.000 0.453 240 W N 1.625 123.043 121.300 0.197 0.000 2.532 240 W HA 0.556 5.217 4.660 0.001 0.000 0.321 240 W C -0.904 175.675 176.519 0.100 0.000 1.037 240 W CA -0.810 56.567 57.345 0.053 0.000 1.220 240 W CB 1.516 30.928 29.460 -0.080 0.000 1.361 240 W HN 0.321 nan 8.180 nan 0.000 0.468 241 N N 3.590 122.472 118.700 0.303 0.000 2.462 241 N HA 0.203 4.944 4.740 0.001 0.000 0.242 241 N C -1.048 174.571 175.510 0.182 0.000 1.010 241 N CA -0.574 52.623 53.050 0.245 0.000 0.939 241 N CB 1.408 40.056 38.487 0.269 0.000 1.127 241 N HN 0.373 nan 8.380 nan 0.000 0.509 242 L N 2.787 124.054 121.223 0.075 0.000 2.361 242 L HA 0.259 4.600 4.340 0.001 0.000 0.278 242 L C 0.380 177.217 176.870 -0.055 0.000 1.113 242 L CA 0.250 55.091 54.840 0.001 0.000 0.849 242 L CB 0.277 42.287 42.059 -0.082 0.000 1.155 242 L HN 0.448 nan 8.230 nan 0.000 0.452 243 M N 6.346 125.884 119.600 -0.103 0.000 3.237 243 M HA 0.225 4.706 4.480 0.001 0.000 0.266 243 M C 0.681 176.592 176.300 -0.648 0.000 1.456 243 M CA -0.078 54.891 55.300 -0.552 0.000 1.593 243 M CB 0.138 32.577 32.600 -0.269 0.000 1.129 243 M HN 0.796 nan 8.290 nan 0.000 0.547 244 A N 3.458 125.960 122.820 -0.530 0.000 3.077 244 A HA 0.377 4.698 4.320 0.001 0.000 0.255 244 A C -0.726 176.568 177.584 -0.483 0.000 1.728 244 A CA -0.118 51.769 52.037 -0.249 0.000 1.383 244 A CB -0.972 17.994 19.000 -0.058 0.000 1.097 244 A HN 0.739 nan 8.150 nan 0.000 0.634 245 Y N -4.526 115.558 120.300 -0.361 0.000 2.788 245 Y HA 0.505 5.056 4.550 0.001 0.000 0.335 245 Y C -0.314 175.488 175.900 -0.163 0.000 1.287 245 Y CA -1.873 55.971 58.100 -0.426 0.000 1.068 245 Y CB 0.153 38.542 38.460 -0.118 0.000 1.340 245 Y HN 0.184 nan 8.280 nan 0.000 0.449 246 D N -0.506 120.075 120.400 0.303 0.000 2.800 246 D HA -0.202 4.439 4.640 0.001 0.000 0.232 246 D C 0.270 176.774 176.300 0.340 0.000 1.137 246 D CA 1.039 55.262 54.000 0.372 0.000 0.718 246 D CB -1.187 39.900 40.800 0.478 0.000 1.084 246 D HN 0.641 nan 8.370 nan 0.000 0.432 247 Y N -0.722 119.701 120.300 0.206 0.000 2.439 247 Y HA 0.301 4.852 4.550 0.001 0.000 0.292 247 Y C 1.663 177.760 175.900 0.329 0.000 1.130 247 Y CA 0.687 58.901 58.100 0.190 0.000 1.254 247 Y CB 0.204 38.832 38.460 0.279 0.000 1.000 247 Y HN 0.250 nan 8.280 nan 0.000 0.554 248 A N -1.278 121.827 122.820 0.476 0.000 2.515 248 A HA 0.814 5.135 4.320 0.001 0.000 0.298 248 A C 0.142 178.022 177.584 0.494 0.000 1.059 248 A CA 0.072 52.390 52.037 0.469 0.000 0.698 248 A CB 1.321 20.559 19.000 0.398 0.000 1.289 248 A HN 0.261 nan 8.150 nan 0.000 0.404 249 G N -0.713 108.388 108.800 0.500 0.000 2.435 249 G HA2 0.522 4.483 3.960 0.001 0.000 0.296 249 G HA3 0.522 4.483 3.960 0.001 0.000 0.296 249 G C 0.850 175.910 174.900 0.268 0.000 1.240 249 G CA 0.762 45.999 45.100 0.228 0.000 0.872 249 G HN 1.802 nan 8.290 nan 0.000 0.480 250 S N -0.869 114.910 115.700 0.132 0.000 2.493 250 S HA -0.007 4.464 4.470 0.001 0.000 0.243 250 S C 1.569 176.226 174.600 0.095 0.000 0.991 250 S CA 1.800 60.074 58.200 0.124 0.000 0.957 250 S CB -0.381 62.792 63.200 -0.045 0.000 0.756 250 S HN 0.389 nan 8.310 nan 0.000 0.521 251 F N 1.937 122.019 119.950 0.221 0.000 2.776 251 F HA 0.366 4.894 4.527 0.001 0.000 0.300 251 F C 1.237 177.174 175.800 0.229 0.000 1.116 251 F CA -0.263 57.850 58.000 0.188 0.000 1.375 251 F CB 0.087 39.160 39.000 0.122 0.000 1.109 251 F HN 0.067 nan 8.300 nan 0.000 0.585 252 S N -0.369 115.606 115.700 0.458 0.000 2.584 252 S HA 0.086 4.557 4.470 0.001 0.000 0.273 252 S C 1.341 176.164 174.600 0.371 0.000 1.311 252 S CA -0.394 58.035 58.200 0.382 0.000 1.034 252 S CB 1.560 64.975 63.200 0.358 0.000 0.939 252 S HN 0.097 nan 8.310 nan 0.000 0.513 253 S N 1.314 117.154 115.700 0.233 0.000 2.368 253 S HA 0.044 4.515 4.470 0.001 0.000 0.225 253 S C 0.581 175.307 174.600 0.210 0.000 1.030 253 S CA 0.970 59.267 58.200 0.163 0.000 0.999 253 S CB -0.273 62.976 63.200 0.081 0.000 0.844 253 S HN 0.485 nan 8.310 nan 0.000 0.459 254 L N 0.306 121.646 121.223 0.196 0.000 2.283 254 L HA 0.452 4.793 4.340 0.001 0.000 0.259 254 L C 0.253 177.058 176.870 -0.108 0.000 1.027 254 L CA -0.965 53.961 54.840 0.143 0.000 0.828 254 L CB 1.641 43.697 42.059 -0.005 0.000 1.380 254 L HN 0.051 nan 8.230 nan 0.000 0.425 255 S N -0.482 114.978 115.700 -0.401 0.000 2.584 255 S HA 0.724 5.195 4.470 0.001 0.000 0.270 255 S C -0.030 174.003 174.600 -0.944 0.000 1.346 255 S CA 0.154 57.525 58.200 -1.381 0.000 1.018 255 S CB 1.263 63.837 63.200 -1.044 0.000 0.899 255 S HN 0.965 nan 8.310 nan 0.000 0.542 256 G N 0.255 108.409 108.800 -1.077 0.000 2.506 256 G HA2 0.417 4.378 3.960 0.001 0.000 0.292 256 G HA3 0.417 4.378 3.960 0.001 0.000 0.292 256 G C -1.707 172.997 174.900 -0.326 0.000 1.425 256 G CA -0.970 43.812 45.100 -0.530 0.000 0.788 256 G HN 0.794 nan 8.290 nan 0.000 0.490 257 H N 0.386 119.474 119.070 0.030 0.000 2.610 257 H HA 0.194 4.750 4.556 0.001 0.000 0.336 257 H C 0.895 176.360 175.328 0.229 0.000 1.087 257 H CA 0.514 56.634 56.048 0.120 0.000 1.405 257 H CB 1.991 31.814 29.762 0.100 0.000 1.460 257 H HN 0.716 nan 8.280 nan 0.000 0.538 258 Q N 1.505 121.485 119.800 0.299 0.000 2.356 258 Q HA 0.321 4.662 4.340 0.001 0.000 0.205 258 Q C 0.500 176.427 176.000 -0.123 0.000 0.901 258 Q CA 0.523 56.460 55.803 0.223 0.000 0.938 258 Q CB 0.902 29.767 28.738 0.210 0.000 1.081 258 Q HN 0.513 nan 8.270 nan 0.000 0.517 259 A N 1.554 124.315 122.820 -0.099 0.000 2.515 259 A HA 0.147 4.468 4.320 0.001 0.000 0.253 259 A C -0.642 176.898 177.584 -0.072 0.000 0.863 259 A CA -0.759 51.061 52.037 -0.362 0.000 1.124 259 A CB -0.269 18.616 19.000 -0.192 0.000 1.214 259 A HN 0.443 nan 8.150 nan 0.000 0.470 260 N N 0.371 119.159 118.700 0.147 0.000 2.479 260 N HA 0.148 4.889 4.740 0.001 0.000 0.257 260 N C 0.816 176.360 175.510 0.057 0.000 1.232 260 N CA 0.115 53.214 53.050 0.082 0.000 0.920 260 N CB 1.541 40.083 38.487 0.092 0.000 1.105 260 N HN -0.062 nan 8.380 nan 0.000 0.444 261 V N 0.983 120.789 119.914 -0.180 0.000 2.446 261 V HA -0.047 4.074 4.120 0.001 0.000 0.244 261 V C -0.037 175.749 176.094 -0.513 0.000 1.039 261 V CA 1.242 63.249 62.300 -0.489 0.000 1.045 261 V CB -0.728 30.483 31.823 -1.021 0.000 0.681 261 V HN 0.595 nan 8.190 nan 0.000 0.459 262 Y N -0.637 119.621 120.300 -0.070 0.000 2.549 262 Y HA 0.473 5.024 4.550 0.001 0.000 0.339 262 Y C 0.246 176.136 175.900 -0.016 0.000 1.053 262 Y CA -1.824 56.255 58.100 -0.036 0.000 1.105 262 Y CB 0.568 38.999 38.460 -0.048 0.000 1.258 262 Y HN -0.005 nan 8.280 nan 0.000 0.478 263 N N 1.164 119.967 118.700 0.172 0.000 2.518 263 N HA -0.012 4.729 4.740 0.001 0.000 0.266 263 N C -1.062 174.486 175.510 0.064 0.000 1.196 263 N CA 0.013 53.112 53.050 0.082 0.000 0.947 263 N CB 0.474 38.988 38.487 0.045 0.000 1.098 263 N HN 0.566 nan 8.380 nan 0.000 0.450 264 D N 1.730 122.156 120.400 0.044 0.000 2.441 264 D HA 0.064 4.705 4.640 0.001 0.000 0.221 264 D C 0.939 177.245 176.300 0.010 0.000 1.156 264 D CA -0.173 53.843 54.000 0.027 0.000 0.896 264 D CB 0.341 41.165 40.800 0.040 0.000 1.028 264 D HN 0.729 nan 8.370 nan 0.000 0.509 265 T N -0.002 114.552 114.554 0.000 0.000 2.759 265 T HA -0.228 4.123 4.350 0.001 0.000 0.269 265 T C 1.764 176.457 174.700 -0.012 0.000 1.042 265 T CA 1.581 63.675 62.100 -0.010 0.000 1.140 265 T CB -0.301 68.556 68.868 -0.018 0.000 0.864 265 T HN 0.284 nan 8.240 nan 0.000 0.455 266 S N 0.879 116.573 115.700 -0.010 0.000 2.561 266 S HA 0.104 4.575 4.470 0.001 0.000 0.225 266 S C 0.946 175.539 174.600 -0.013 0.000 0.977 266 S CA 0.316 58.509 58.200 -0.012 0.000 0.926 266 S CB -0.372 62.821 63.200 -0.011 0.000 0.769 266 S HN 0.550 nan 8.310 nan 0.000 0.533 267 N N 0.891 119.586 118.700 -0.008 0.000 2.725 267 N HA 0.249 4.990 4.740 0.001 0.000 0.225 267 N C -2.441 173.064 175.510 -0.008 0.000 1.465 267 N CA -1.464 51.578 53.050 -0.013 0.000 0.830 267 N CB 1.009 39.490 38.487 -0.009 0.000 1.460 267 N HN -0.005 nan 8.380 nan 0.000 0.538 268 P HA -0.142 nan 4.420 nan 0.000 0.219 268 P C 1.457 178.735 177.300 -0.037 0.000 1.146 268 P CA 0.707 63.793 63.100 -0.023 0.000 0.808 268 P CB 0.595 32.275 31.700 -0.034 0.000 0.779 269 L N 0.339 121.534 121.223 -0.045 0.000 2.191 269 L HA -0.109 4.232 4.340 0.001 0.000 0.212 269 L C 2.652 179.479 176.870 -0.072 0.000 1.103 269 L CA 1.885 56.688 54.840 -0.061 0.000 0.769 269 L CB -0.904 41.118 42.059 -0.062 0.000 0.908 269 L HN 0.152 nan 8.230 nan 0.000 0.438 270 S N -1.930 113.733 115.700 -0.061 0.000 2.527 270 S HA -0.046 4.425 4.470 0.001 0.000 0.222 270 S C 1.095 175.723 174.600 0.047 0.000 0.985 270 S CA 0.444 58.590 58.200 -0.089 0.000 0.921 270 S CB -0.418 62.726 63.200 -0.093 0.000 0.772 270 S HN 0.446 nan 8.310 nan 0.000 0.529 271 T N -0.412 114.182 114.554 0.067 0.000 3.401 271 T HA 0.460 4.811 4.350 0.001 0.000 0.341 271 T C -1.954 172.739 174.700 -0.011 0.000 1.674 271 T CA -1.547 60.619 62.100 0.109 0.000 1.600 271 T CB 1.355 70.295 68.868 0.120 0.000 0.974 271 T HN 0.025 nan 8.240 nan 0.000 0.672 272 P HA 0.077 nan 4.420 nan 0.000 0.225 272 P C -0.306 176.561 177.300 -0.721 0.000 1.148 272 P CA 0.509 63.405 63.100 -0.339 0.000 0.779 272 P CB -0.005 31.544 31.700 -0.251 0.000 0.780 273 F N -0.244 119.624 119.950 -0.136 0.000 2.664 273 F HA 0.418 4.946 4.527 0.001 0.000 0.317 273 F C -0.017 175.584 175.800 -0.331 0.000 1.108 273 F CA -0.878 56.903 58.000 -0.366 0.000 0.957 273 F CB 1.543 40.062 39.000 -0.802 0.000 1.365 273 F HN -0.186 nan 8.300 nan 0.000 0.475 274 N N -2.658 115.950 118.700 -0.152 0.000 2.446 274 N HA 0.296 5.037 4.740 0.001 0.000 0.272 274 N C -0.775 174.735 175.510 0.001 0.000 1.127 274 N CA -0.682 52.362 53.050 -0.008 0.000 0.896 274 N CB 1.618 40.126 38.487 0.035 0.000 1.658 274 N HN 0.371 nan 8.380 nan 0.000 0.483 275 T N -0.144 114.476 114.554 0.109 0.000 2.788 275 T HA -0.196 4.155 4.350 0.001 0.000 0.268 275 T C 1.436 176.181 174.700 0.075 0.000 1.044 275 T CA 1.681 63.851 62.100 0.116 0.000 1.139 275 T CB -0.280 68.640 68.868 0.086 0.000 0.867 275 T HN 0.625 nan 8.240 nan 0.000 0.454 276 Q N 1.199 121.004 119.800 0.008 0.000 2.061 276 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 276 Q C 2.341 178.400 176.000 0.099 0.000 0.984 276 Q CA 2.032 57.894 55.803 0.097 0.000 0.846 276 Q CB -1.026 27.795 28.738 0.138 0.000 0.902 276 Q HN 0.435 nan 8.270 nan 0.000 0.421 277 T N 0.343 114.938 114.554 0.067 0.000 2.684 277 T HA -0.209 4.142 4.350 0.001 0.000 0.267 277 T C 1.680 176.402 174.700 0.037 0.000 1.036 277 T CA 1.681 63.805 62.100 0.041 0.000 1.148 277 T CB -0.707 68.169 68.868 0.014 0.000 0.863 277 T HN 0.501 nan 8.240 nan 0.000 0.436 278 A N 1.116 123.972 122.820 0.059 0.000 1.877 278 A HA -0.013 4.308 4.320 0.001 0.000 0.216 278 A C 2.330 180.035 177.584 0.202 0.000 1.186 278 A CA 1.302 53.401 52.037 0.102 0.000 0.620 278 A CB -0.885 18.212 19.000 0.162 0.000 0.822 278 A HN 0.490 nan 8.150 nan 0.000 0.443 279 L N -0.607 120.724 121.223 0.180 0.000 2.083 279 L HA -0.192 4.149 4.340 0.001 0.000 0.209 279 L C 2.032 178.964 176.870 0.103 0.000 1.083 279 L CA 1.396 56.332 54.840 0.160 0.000 0.752 279 L CB -0.673 41.445 42.059 0.098 0.000 0.899 279 L HN 0.303 nan 8.230 nan 0.000 0.433 280 D N 0.093 120.534 120.400 0.068 0.000 2.144 280 D HA -0.132 4.509 4.640 0.001 0.000 0.199 280 D C 2.392 178.685 176.300 -0.010 0.000 0.984 280 D CA 1.060 55.078 54.000 0.029 0.000 0.834 280 D CB -0.073 40.746 40.800 0.030 0.000 0.955 280 D HN 0.253 nan 8.370 nan 0.000 0.465 281 L N -0.560 120.637 121.223 -0.045 0.000 2.056 281 L HA -0.180 4.161 4.340 0.001 0.000 0.207 281 L C 2.307 179.058 176.870 -0.199 0.000 1.078 281 L CA 0.983 55.735 54.840 -0.146 0.000 0.749 281 L CB -0.434 41.487 42.059 -0.231 0.000 0.901 281 L HN 0.086 nan 8.230 nan 0.000 0.433 282 Y N -0.201 120.020 120.300 -0.133 0.000 2.200 282 Y HA -0.182 4.369 4.550 0.001 0.000 0.290 282 Y C 2.841 178.623 175.900 -0.196 0.000 1.137 282 Y CA 1.163 59.131 58.100 -0.221 0.000 1.163 282 Y CB -0.151 38.132 38.460 -0.294 0.000 0.988 282 Y HN 0.002 nan 8.280 nan 0.000 0.518 283 R N -0.376 120.135 120.500 0.019 0.000 2.075 283 R HA -0.124 4.217 4.340 0.001 0.000 0.232 283 R C 2.457 178.736 176.300 -0.035 0.000 1.126 283 R CA 1.098 57.185 56.100 -0.022 0.000 0.963 283 R CB -0.592 29.698 30.300 -0.016 0.000 0.858 283 R HN 0.302 nan 8.270 nan 0.000 0.435 284 A N 0.548 123.344 122.820 -0.040 0.000 2.015 284 A HA -0.050 4.271 4.320 0.001 0.000 0.219 284 A C 2.142 179.693 177.584 -0.056 0.000 1.163 284 A CA 1.545 53.555 52.037 -0.044 0.000 0.646 284 A CB -0.602 18.370 19.000 -0.047 0.000 0.806 284 A HN 0.459 nan 8.150 nan 0.000 0.448 285 G N -2.028 106.726 108.800 -0.077 0.000 2.848 285 G HA2 0.342 4.303 3.960 0.001 0.000 0.208 285 G HA3 0.342 4.303 3.960 0.001 0.000 0.208 285 G C 1.118 175.986 174.900 -0.054 0.000 1.152 285 G CA 0.587 45.639 45.100 -0.081 0.000 0.789 285 G HN 1.619 nan 8.290 nan 0.000 0.531 286 G N -1.467 107.305 108.800 -0.047 0.000 2.179 286 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 286 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 286 G C 0.196 175.075 174.900 -0.034 0.000 0.990 286 G CA 0.011 45.093 45.100 -0.030 0.000 0.646 286 G HN 0.640 nan 8.290 nan 0.000 0.517 287 V N 2.414 122.277 119.914 -0.084 0.000 2.488 287 V HA 0.410 4.531 4.120 0.001 0.000 0.277 287 V C -1.451 174.580 176.094 -0.106 0.000 1.046 287 V CA -1.256 60.959 62.300 -0.142 0.000 0.986 287 V CB 1.242 32.814 31.823 -0.418 0.000 0.989 287 V HN 0.136 nan 8.190 nan 0.000 0.475 288 P HA 0.138 nan 4.420 nan 0.000 0.268 288 P C 0.617 177.880 177.300 -0.061 0.000 1.204 288 P CA 0.052 63.131 63.100 -0.035 0.000 0.768 288 P CB 0.875 32.578 31.700 0.005 0.000 0.842 289 A N 4.443 127.229 122.820 -0.057 0.000 1.892 289 A HA -0.255 4.066 4.320 0.001 0.000 0.218 289 A C 1.675 179.228 177.584 -0.051 0.000 1.188 289 A CA 2.240 54.237 52.037 -0.067 0.000 0.631 289 A CB -1.478 17.487 19.000 -0.058 0.000 0.822 289 A HN 0.712 nan 8.150 nan 0.000 0.447 290 N N -0.505 118.177 118.700 -0.030 0.000 2.609 290 N HA -0.071 4.670 4.740 0.001 0.000 0.190 290 N C 0.770 176.280 175.510 -0.000 0.000 1.157 290 N CA 1.146 54.184 53.050 -0.021 0.000 0.918 290 N CB -0.293 38.173 38.487 -0.035 0.000 0.978 290 N HN 0.571 nan 8.380 nan 0.000 0.448 291 K N -0.200 120.217 120.400 0.028 0.000 2.358 291 K HA 0.299 4.620 4.320 0.001 0.000 0.200 291 K C -0.225 176.470 176.600 0.158 0.000 1.030 291 K CA -0.055 56.315 56.287 0.140 0.000 1.097 291 K CB 0.712 33.346 32.500 0.222 0.000 0.862 291 K HN 0.243 nan 8.250 nan 0.000 0.534 292 I N 2.029 122.599 120.570 0.001 0.000 2.330 292 I HA 0.165 4.336 4.170 0.001 0.000 0.289 292 I C -0.394 175.704 176.117 -0.033 0.000 1.001 292 I CA -0.947 60.321 61.300 -0.053 0.000 1.193 292 I CB 1.646 39.518 38.000 -0.213 0.000 1.345 292 I HN -0.306 nan 8.210 nan 0.000 0.461 293 V N 6.989 126.912 119.914 0.016 0.000 2.407 293 V HA 0.182 4.303 4.120 0.001 0.000 0.278 293 V C 0.092 176.158 176.094 -0.046 0.000 1.037 293 V CA -0.673 61.604 62.300 -0.037 0.000 0.900 293 V CB 1.670 33.472 31.823 -0.035 0.000 0.983 293 V HN 0.434 nan 8.190 nan 0.000 0.459 294 L N 5.766 126.936 121.223 -0.088 0.000 2.407 294 L HA 0.510 4.851 4.340 0.001 0.000 0.282 294 L C 0.901 177.696 176.870 -0.125 0.000 1.110 294 L CA 0.561 55.353 54.840 -0.080 0.000 0.863 294 L CB 0.161 42.188 42.059 -0.053 0.000 1.207 294 L HN 0.739 nan 8.230 nan 0.000 0.454 295 G N 5.884 114.655 108.800 -0.049 0.000 2.442 295 G HA2 0.459 4.420 3.960 0.001 0.000 0.249 295 G HA3 0.459 4.420 3.960 0.001 0.000 0.249 295 G C -0.511 174.449 174.900 0.101 0.000 1.263 295 G CA -0.521 44.611 45.100 0.053 0.000 0.846 295 G HN 0.615 nan 8.290 nan 0.000 0.555 296 M N 3.242 122.918 119.600 0.127 0.000 2.446 296 M HA 0.337 4.818 4.480 0.001 0.000 0.294 296 M C -2.519 173.936 176.300 0.259 0.000 1.158 296 M CA -1.882 53.504 55.300 0.142 0.000 0.899 296 M CB 3.656 36.209 32.600 -0.078 0.000 1.687 296 M HN 0.297 nan 8.290 nan 0.000 0.455 297 P HA 0.254 nan 4.420 nan 0.000 0.285 297 P C -0.835 176.433 177.300 -0.054 0.000 1.259 297 P CA -0.266 62.682 63.100 -0.253 0.000 0.794 297 P CB 0.812 32.013 31.700 -0.833 0.000 0.940 298 L N 4.181 125.496 121.223 0.154 0.000 3.034 298 L HA 0.299 4.640 4.340 0.001 0.000 0.245 298 L C -0.220 176.867 176.870 0.361 0.000 1.295 298 L CA -0.401 54.556 54.840 0.194 0.000 1.068 298 L CB -0.751 41.425 42.059 0.194 0.000 1.426 298 L HN 0.481 nan 8.230 nan 0.000 0.531 299 Y N -3.080 117.360 120.300 0.232 0.000 2.689 299 Y HA 0.837 5.387 4.550 0.001 0.000 0.333 299 Y C -0.310 175.761 175.900 0.284 0.000 1.208 299 Y CA -1.424 56.831 58.100 0.257 0.000 1.055 299 Y CB 0.877 39.474 38.460 0.227 0.000 1.304 299 Y HN -0.125 nan 8.280 nan 0.000 0.455 300 G N 0.898 109.970 108.800 0.454 0.000 2.519 300 G HA2 0.684 4.645 3.960 0.001 0.000 0.307 300 G HA3 0.684 4.645 3.960 0.001 0.000 0.307 300 G C -1.694 173.479 174.900 0.454 0.000 1.266 300 G CA -1.515 43.828 45.100 0.405 0.000 0.970 300 G HN 0.625 nan 8.290 nan 0.000 0.481 301 R N 0.583 121.278 120.500 0.325 0.000 2.338 301 R HA 0.527 4.867 4.340 0.001 0.000 0.317 301 R C -0.099 176.170 176.300 -0.053 0.000 0.968 301 R CA -0.460 55.732 56.100 0.154 0.000 0.849 301 R CB 1.828 32.196 30.300 0.113 0.000 1.128 301 R HN 0.674 nan 8.270 nan 0.000 0.448 302 S N 2.068 117.665 115.700 -0.171 0.000 2.681 302 S HA 0.697 5.168 4.470 0.001 0.000 0.299 302 S C -0.555 173.570 174.600 -0.791 0.000 1.113 302 S CA -0.699 57.281 58.200 -0.367 0.000 1.013 302 S CB 1.111 64.202 63.200 -0.183 0.000 1.076 302 S HN 0.377 nan 8.310 nan 0.000 0.534 303 F N -0.063 119.699 119.950 -0.313 0.000 2.561 303 F HA 0.720 5.247 4.527 0.001 0.000 0.313 303 F C 0.329 176.119 175.800 -0.017 0.000 1.126 303 F CA -0.775 57.095 58.000 -0.217 0.000 0.918 303 F CB 1.951 40.699 39.000 -0.421 0.000 1.199 303 F HN 0.942 nan 8.300 nan 0.000 0.444 304 A N 1.987 125.078 122.820 0.451 0.000 2.281 304 A HA 0.607 4.928 4.320 0.001 0.000 0.329 304 A C 0.120 177.960 177.584 0.427 0.000 1.122 304 A CA -0.814 51.544 52.037 0.535 0.000 0.850 304 A CB 0.353 19.675 19.000 0.536 0.000 1.207 304 A HN 0.875 nan 8.150 nan 0.000 0.495 305 N N -0.108 118.799 118.700 0.344 0.000 2.688 305 N HA -0.142 4.598 4.740 0.001 0.000 0.258 305 N C -0.344 175.324 175.510 0.262 0.000 1.016 305 N CA 1.553 54.755 53.050 0.252 0.000 0.747 305 N CB -1.080 37.521 38.487 0.190 0.000 0.895 305 N HN 0.799 nan 8.380 nan 0.000 0.543 306 T N -1.148 113.586 114.554 0.300 0.000 2.900 306 T HA 0.281 4.632 4.350 0.001 0.000 0.295 306 T C 0.600 175.458 174.700 0.264 0.000 1.044 306 T CA -0.669 61.582 62.100 0.252 0.000 0.995 306 T CB 1.327 70.334 68.868 0.231 0.000 1.072 306 T HN -0.036 nan 8.240 nan 0.000 0.473 307 D N 2.000 122.475 120.400 0.125 0.000 2.234 307 D HA 0.248 4.888 4.640 0.001 0.000 0.205 307 D C 1.077 177.250 176.300 -0.211 0.000 0.962 307 D CA 1.054 55.090 54.000 0.061 0.000 0.855 307 D CB 0.315 41.120 40.800 0.009 0.000 0.951 307 D HN 0.809 nan 8.370 nan 0.000 0.500 308 G N -0.446 108.211 108.800 -0.238 0.000 2.325 308 G HA2 0.240 4.200 3.960 0.001 0.000 0.295 308 G HA3 0.240 4.200 3.960 0.001 0.000 0.295 308 G C -3.019 171.643 174.900 -0.396 0.000 1.274 308 G CA -0.949 43.882 45.100 -0.448 0.000 0.857 308 G HN -0.253 nan 8.290 nan 0.000 0.499 309 P HA 0.366 nan 4.420 nan 0.000 0.268 309 P C 0.792 177.871 177.300 -0.368 0.000 1.204 309 P CA 1.951 64.703 63.100 -0.580 0.000 0.768 309 P CB 0.928 32.204 31.700 -0.707 0.000 0.842 310 G N 1.119 109.703 108.800 -0.361 0.000 2.221 310 G HA2 -0.210 3.751 3.960 0.001 0.000 0.265 310 G HA3 -0.210 3.751 3.960 0.001 0.000 0.265 310 G C -0.006 174.801 174.900 -0.154 0.000 1.041 310 G CA -0.054 44.915 45.100 -0.219 0.000 0.807 310 G HN 0.474 nan 8.290 nan 0.000 0.502 311 K N -0.718 119.587 120.400 -0.158 0.000 2.395 311 K HA 0.570 4.891 4.320 0.001 0.000 0.245 311 K C -2.734 173.872 176.600 0.011 0.000 1.017 311 K CA -2.200 54.044 56.287 -0.072 0.000 0.852 311 K CB 1.685 34.141 32.500 -0.075 0.000 1.311 311 K HN -0.083 nan 8.250 nan 0.000 0.452 312 P HA 0.067 nan 4.420 nan 0.000 0.269 312 P C -1.127 176.271 177.300 0.164 0.000 1.215 312 P CA 0.271 63.410 63.100 0.065 0.000 0.780 312 P CB 0.185 31.892 31.700 0.011 0.000 0.898 313 Y N -0.388 119.938 120.300 0.043 0.000 2.655 313 Y HA 0.728 5.279 4.550 0.001 0.000 0.336 313 Y C -1.412 174.558 175.900 0.117 0.000 1.154 313 Y CA -1.467 56.696 58.100 0.105 0.000 1.055 313 Y CB 1.260 39.823 38.460 0.172 0.000 1.295 313 Y HN 0.169 nan 8.280 nan 0.000 0.465 314 N N 0.875 119.653 118.700 0.131 0.000 2.558 314 N HA 0.539 5.280 4.740 0.001 0.000 0.285 314 N C -0.537 175.091 175.510 0.197 0.000 1.112 314 N CA 0.706 53.764 53.050 0.013 0.000 0.857 314 N CB 1.543 40.044 38.487 0.023 0.000 1.376 314 N HN 1.511 nan 8.380 nan 0.000 0.526 315 G N 0.572 109.500 108.800 0.213 0.000 2.781 315 G HA2 -0.124 3.836 3.960 0.001 0.000 0.683 315 G HA3 -0.124 3.836 3.960 0.001 0.000 0.683 315 G C 0.196 175.331 174.900 0.391 0.000 1.390 315 G CA -0.246 45.007 45.100 0.256 0.000 0.850 315 G HN 1.296 nan 8.290 nan 0.000 0.557 316 V N -1.702 118.377 119.914 0.275 0.000 3.346 316 V HA 0.691 4.812 4.120 0.001 0.000 0.309 316 V C 1.717 178.051 176.094 0.400 0.000 1.457 316 V CA 1.122 63.558 62.300 0.227 0.000 1.069 316 V CB -0.230 31.615 31.823 0.036 0.000 0.944 316 V HN 3.004 nan 8.190 nan 0.000 0.449 317 G N 1.263 110.301 108.800 0.396 0.000 2.645 317 G HA2 -0.237 3.724 3.960 0.001 0.000 0.239 317 G HA3 -0.237 3.724 3.960 0.001 0.000 0.239 317 G C -0.274 174.769 174.900 0.238 0.000 1.331 317 G CA 0.573 45.902 45.100 0.381 0.000 0.890 317 G HN 0.639 nan 8.290 nan 0.000 0.572 318 Q N -0.761 119.173 119.800 0.224 0.000 2.782 318 Q HA 0.630 4.971 4.340 0.001 0.000 0.186 318 Q C 0.810 176.462 176.000 -0.581 0.000 1.106 318 Q CA -0.066 55.695 55.803 -0.070 0.000 0.757 318 Q CB 0.748 29.453 28.738 -0.056 0.000 3.979 318 Q HN 1.618 nan 8.270 nan 0.000 0.389 319 G N -1.198 106.919 108.800 -1.138 0.000 2.428 319 G HA2 0.219 4.180 3.960 0.001 0.000 0.304 319 G HA3 0.219 4.180 3.960 0.001 0.000 0.304 319 G C -0.367 173.772 174.900 -1.269 0.000 1.303 319 G CA -0.274 43.690 45.100 -1.892 0.000 0.825 319 G HN 0.361 nan 8.290 nan 0.000 0.484 320 S N -1.194 113.922 115.700 -0.974 0.000 2.348 320 S HA 0.044 4.515 4.470 0.001 0.000 0.219 320 S C 1.200 175.001 174.600 -1.332 0.000 1.033 320 S CA 1.635 59.235 58.200 -1.001 0.000 0.974 320 S CB -0.120 62.570 63.200 -0.849 0.000 0.868 320 S HN 0.577 nan 8.310 nan 0.000 0.459 321 W N 1.089 122.306 121.300 -0.140 0.000 2.555 321 W HA 0.447 5.108 4.660 0.002 0.000 0.324 321 W C 0.311 176.772 176.519 -0.096 0.000 0.973 321 W CA -0.495 56.806 57.345 -0.073 0.000 1.481 321 W CB 0.776 30.233 29.460 -0.004 0.000 1.064 321 W HN 0.133 nan 8.180 nan 0.000 0.543 322 E N 1.013 121.176 120.200 -0.063 0.000 2.378 322 E HA 0.168 4.519 4.350 0.001 0.000 0.283 322 E C -0.988 175.494 176.600 -0.197 0.000 0.979 322 E CA -0.748 55.609 56.400 -0.072 0.000 0.795 322 E CB 0.755 30.461 29.700 0.009 0.000 1.221 322 E HN -0.275 nan 8.360 nan 0.000 0.428 323 N N 1.336 119.943 118.700 -0.156 0.000 2.458 323 N HA 0.242 4.983 4.740 0.001 0.000 0.258 323 N C 0.892 176.322 175.510 -0.133 0.000 1.219 323 N CA 1.837 54.783 53.050 -0.174 0.000 0.902 323 N CB 1.032 39.471 38.487 -0.080 0.000 1.076 323 N HN 0.877 nan 8.380 nan 0.000 0.455 324 G N -0.136 108.572 108.800 -0.153 0.000 2.175 324 G HA2 -0.233 3.727 3.960 0.001 0.000 0.244 324 G HA3 -0.233 3.727 3.960 0.001 0.000 0.244 324 G C -0.364 174.495 174.900 -0.068 0.000 0.982 324 G CA 0.244 45.309 45.100 -0.058 0.000 0.641 324 G HN 0.511 nan 8.290 nan 0.000 0.527 325 V N -0.222 119.553 119.914 -0.233 0.000 2.588 325 V HA 0.781 4.902 4.120 0.001 0.000 0.304 325 V C -0.703 175.225 176.094 -0.276 0.000 1.042 325 V CA -0.852 61.402 62.300 -0.077 0.000 0.877 325 V CB 1.485 33.296 31.823 -0.019 0.000 0.996 325 V HN 0.313 nan 8.190 nan 0.000 0.425 326 W N 1.201 122.583 121.300 0.136 0.000 2.785 326 W HA 0.561 5.222 4.660 0.002 0.000 0.333 326 W C -0.315 176.289 176.519 0.142 0.000 1.062 326 W CA -0.634 56.756 57.345 0.075 0.000 1.233 326 W CB 1.076 30.551 29.460 0.025 0.000 1.413 326 W HN 0.418 nan 8.180 nan 0.000 0.489 327 D N 1.458 122.055 120.400 0.329 0.000 2.455 327 D HA -0.108 4.533 4.640 0.001 0.000 0.241 327 D C 0.852 177.294 176.300 0.236 0.000 1.138 327 D CA 0.146 54.331 54.000 0.308 0.000 0.877 327 D CB 0.550 41.509 40.800 0.266 0.000 1.187 327 D HN 0.464 nan 8.370 nan 0.000 0.451 328 Y N 3.675 124.052 120.300 0.129 0.000 2.207 328 Y HA -0.264 4.287 4.550 0.001 0.000 0.287 328 Y C 1.947 177.841 175.900 -0.010 0.000 1.156 328 Y CA 1.925 60.041 58.100 0.026 0.000 1.182 328 Y CB -0.001 38.508 38.460 0.083 0.000 0.979 328 Y HN 0.427 nan 8.280 nan 0.000 0.521 329 K N 0.024 120.317 120.400 -0.178 0.000 2.519 329 K HA 0.058 4.378 4.320 0.001 0.000 0.196 329 K C 1.453 177.927 176.600 -0.210 0.000 1.041 329 K CA 1.104 57.221 56.287 -0.285 0.000 0.954 329 K CB -0.341 32.107 32.500 -0.087 0.000 0.774 329 K HN 0.298 nan 8.250 nan 0.000 0.480 330 A N 1.197 123.934 122.820 -0.139 0.000 2.387 330 A HA 0.325 4.646 4.320 0.001 0.000 0.234 330 A C 0.205 177.671 177.584 -0.197 0.000 1.253 330 A CA -0.483 51.493 52.037 -0.101 0.000 0.894 330 A CB 0.068 19.085 19.000 0.028 0.000 0.963 330 A HN 0.197 nan 8.150 nan 0.000 0.508 331 L N 0.653 121.685 121.223 -0.319 0.000 2.341 331 L HA 0.480 4.820 4.340 0.001 0.000 0.267 331 L C -2.444 174.263 176.870 -0.271 0.000 1.009 331 L CA -2.455 52.149 54.840 -0.394 0.000 0.819 331 L CB 2.260 43.848 42.059 -0.785 0.000 1.323 331 L HN -0.000 nan 8.230 nan 0.000 0.425 332 P HA 0.171 nan 4.420 nan 0.000 0.276 332 P C -1.446 175.771 177.300 -0.139 0.000 1.244 332 P CA -0.580 62.461 63.100 -0.099 0.000 0.801 332 P CB 0.858 32.592 31.700 0.056 0.000 1.006 333 Q N 0.263 119.964 119.800 -0.166 0.000 2.306 333 Q HA 0.466 4.807 4.340 0.001 0.000 0.241 333 Q C 0.285 176.220 176.000 -0.108 0.000 0.948 333 Q CA -0.700 54.999 55.803 -0.172 0.000 0.886 333 Q CB 0.622 29.207 28.738 -0.254 0.000 1.227 333 Q HN 0.534 nan 8.270 nan 0.000 0.457 334 A N 1.004 123.766 122.820 -0.096 0.000 2.587 334 A HA 0.292 4.612 4.320 0.001 0.000 0.235 334 A C 1.270 178.815 177.584 -0.065 0.000 1.044 334 A CA 0.952 52.948 52.037 -0.069 0.000 0.754 334 A CB -0.757 18.205 19.000 -0.063 0.000 0.968 334 A HN 1.035 nan 8.150 nan 0.000 0.509 335 G N 0.606 109.378 108.800 -0.047 0.000 2.268 335 G HA2 0.135 4.096 3.960 0.001 0.000 0.240 335 G HA3 0.135 4.096 3.960 0.001 0.000 0.240 335 G C 0.629 175.510 174.900 -0.031 0.000 1.010 335 G CA 0.706 45.782 45.100 -0.040 0.000 0.618 335 G HN 2.287 nan 8.290 nan 0.000 0.516 336 A N -0.241 122.562 122.820 -0.028 0.000 2.279 336 A HA 0.821 5.142 4.320 0.001 0.000 0.303 336 A C 0.220 177.795 177.584 -0.016 0.000 1.108 336 A CA 0.798 52.831 52.037 -0.006 0.000 0.830 336 A CB 1.033 20.047 19.000 0.023 0.000 1.106 336 A HN 0.727 nan 8.150 nan 0.000 0.493 337 T N 1.795 116.332 114.554 -0.029 0.000 2.824 337 T HA 0.373 4.724 4.350 0.001 0.000 0.282 337 T C -0.408 174.078 174.700 -0.356 0.000 0.993 337 T CA -0.388 61.619 62.100 -0.155 0.000 0.967 337 T CB 1.036 69.817 68.868 -0.145 0.000 0.960 337 T HN 0.694 nan 8.240 nan 0.000 0.441 338 E N 2.289 122.290 120.200 -0.332 0.000 2.373 338 E HA 0.255 4.605 4.350 0.001 0.000 0.263 338 E C -0.452 175.722 176.600 -0.711 0.000 1.073 338 E CA -0.519 55.652 56.400 -0.382 0.000 0.894 338 E CB 0.583 30.182 29.700 -0.168 0.000 1.008 338 E HN 0.526 nan 8.360 nan 0.000 0.420 339 H N 0.108 118.919 119.070 -0.432 0.000 2.856 339 H HA 0.318 4.875 4.556 0.001 0.000 0.355 339 H C -1.051 174.023 175.328 -0.423 0.000 1.079 339 H CA -0.562 55.190 56.048 -0.492 0.000 1.240 339 H CB 1.457 30.706 29.762 -0.854 0.000 1.701 339 H HN 0.145 nan 8.280 nan 0.000 0.527 340 V N 4.294 124.155 119.914 -0.088 0.000 2.513 340 V HA 0.316 4.437 4.120 0.001 0.000 0.299 340 V C 0.261 176.357 176.094 0.002 0.000 1.035 340 V CA -0.719 61.550 62.300 -0.051 0.000 0.889 340 V CB 2.134 33.933 31.823 -0.040 0.000 0.988 340 V HN 0.519 nan 8.190 nan 0.000 0.440 341 L N 6.977 128.205 121.223 0.010 0.000 2.445 341 L HA 0.331 4.671 4.340 0.001 0.000 0.252 341 L C -1.226 175.635 176.870 -0.014 0.000 1.105 341 L CA -1.392 53.453 54.840 0.008 0.000 0.943 341 L CB 1.692 43.749 42.059 -0.003 0.000 1.277 341 L HN 0.477 nan 8.230 nan 0.000 0.465 342 P HA -0.227 nan 4.420 nan 0.000 0.216 342 P C 0.521 177.836 177.300 0.025 0.000 1.154 342 P CA 1.429 64.534 63.100 0.008 0.000 0.865 342 P CB 0.403 32.109 31.700 0.010 0.000 0.789 343 D N -0.200 120.209 120.400 0.015 0.000 2.378 343 D HA -0.037 4.604 4.640 0.001 0.000 0.222 343 D C 1.675 178.031 176.300 0.094 0.000 0.980 343 D CA 0.728 54.739 54.000 0.018 0.000 0.907 343 D CB -0.237 40.545 40.800 -0.031 0.000 0.899 343 D HN 0.467 nan 8.370 nan 0.000 0.527 344 I N -4.498 116.114 120.570 0.070 0.000 4.147 344 I HA 0.248 4.419 4.170 0.001 0.000 0.329 344 I C 0.026 176.139 176.117 -0.008 0.000 1.424 344 I CA -0.353 61.000 61.300 0.087 0.000 1.127 344 I CB 0.022 38.005 38.000 -0.028 0.000 1.128 344 I HN -0.283 nan 8.210 nan 0.000 0.417 345 M N 1.885 121.481 119.600 -0.007 0.000 2.516 345 M HA -0.196 4.284 4.480 0.001 0.000 0.183 345 M C -0.147 176.102 176.300 -0.085 0.000 0.928 345 M CA 0.868 56.133 55.300 -0.058 0.000 0.573 345 M CB -1.402 31.123 32.600 -0.124 0.000 1.126 345 M HN 0.700 nan 8.290 nan 0.000 0.859 346 A N 0.523 123.289 122.820 -0.090 0.000 2.539 346 A HA 0.954 5.275 4.320 0.001 0.000 0.296 346 A C -0.129 177.435 177.584 -0.034 0.000 1.073 346 A CA 0.098 52.082 52.037 -0.089 0.000 0.700 346 A CB 1.863 20.708 19.000 -0.257 0.000 1.296 346 A HN 0.681 nan 8.150 nan 0.000 0.405 347 S N -0.303 115.399 115.700 0.003 0.000 2.618 347 S HA 0.938 5.409 4.470 0.001 0.000 0.277 347 S C -0.919 173.694 174.600 0.023 0.000 1.138 347 S CA -0.509 57.660 58.200 -0.051 0.000 0.844 347 S CB 1.444 64.530 63.200 -0.190 0.000 1.127 347 S HN 2.004 nan 8.310 nan 0.000 0.474 348 Y N -1.602 118.625 120.300 -0.122 0.000 2.641 348 Y HA 0.784 5.334 4.550 0.001 0.000 0.333 348 Y C -0.877 175.036 175.900 0.022 0.000 1.174 348 Y CA -0.903 57.150 58.100 -0.078 0.000 1.057 348 Y CB 0.636 39.167 38.460 0.118 0.000 1.322 348 Y HN 0.960 nan 8.280 nan 0.000 0.457 349 S N 1.337 117.220 115.700 0.305 0.000 2.593 349 S HA 0.789 5.260 4.470 0.001 0.000 0.297 349 S C -1.688 173.197 174.600 0.475 0.000 1.112 349 S CA -0.601 57.762 58.200 0.272 0.000 1.043 349 S CB 2.180 65.595 63.200 0.358 0.000 1.054 349 S HN 0.993 nan 8.310 nan 0.000 0.516 350 Y N 0.634 121.076 120.300 0.236 0.000 2.479 350 Y HA 0.502 5.053 4.550 0.001 0.000 0.338 350 Y C -1.938 174.083 175.900 0.202 0.000 1.055 350 Y CA -0.869 57.406 58.100 0.292 0.000 1.023 350 Y CB 1.993 40.725 38.460 0.455 0.000 1.287 350 Y HN 0.846 nan 8.280 nan 0.000 0.447 351 D N 4.146 124.258 120.400 -0.480 0.000 2.462 351 D HA 0.447 5.088 4.640 0.001 0.000 0.245 351 D C 0.249 176.186 176.300 -0.605 0.000 1.122 351 D CA 0.224 54.032 54.000 -0.319 0.000 0.864 351 D CB 1.947 42.669 40.800 -0.131 0.000 1.098 351 D HN 0.801 nan 8.370 nan 0.000 0.541 352 A N 2.828 125.459 122.820 -0.314 0.000 2.015 352 A HA -0.128 4.193 4.320 0.001 0.000 0.219 352 A C 2.042 179.598 177.584 -0.047 0.000 1.163 352 A CA 2.007 53.983 52.037 -0.101 0.000 0.646 352 A CB -0.601 18.506 19.000 0.178 0.000 0.806 352 A HN 0.659 nan 8.150 nan 0.000 0.448 353 T N 0.065 114.588 114.554 -0.051 0.000 2.708 353 T HA -0.195 4.156 4.350 0.001 0.000 0.266 353 T C 1.267 175.954 174.700 -0.022 0.000 1.037 353 T CA 1.634 63.722 62.100 -0.021 0.000 1.146 353 T CB -0.605 68.249 68.868 -0.023 0.000 0.865 353 T HN 0.618 nan 8.240 nan 0.000 0.435 354 N N 0.499 119.169 118.700 -0.050 0.000 2.205 354 N HA 0.149 4.889 4.740 0.001 0.000 0.201 354 N C 0.091 175.616 175.510 0.025 0.000 1.128 354 N CA -0.264 52.776 53.050 -0.016 0.000 0.867 354 N CB -0.154 38.307 38.487 -0.043 0.000 0.996 354 N HN 0.540 nan 8.380 nan 0.000 0.503 355 K N -0.406 119.957 120.400 -0.061 0.000 3.071 355 K HA -0.208 4.113 4.320 0.001 0.000 0.265 355 K C -1.168 175.522 176.600 0.149 0.000 1.060 355 K CA 0.356 56.642 56.287 -0.002 0.000 0.767 355 K CB -1.869 30.745 32.500 0.189 0.000 1.241 355 K HN 0.270 nan 8.250 nan 0.000 0.486 356 F N 1.306 121.157 119.950 -0.165 0.000 2.404 356 F HA 0.484 5.012 4.527 0.001 0.000 0.354 356 F C -0.051 175.800 175.800 0.086 0.000 1.122 356 F CA -1.108 56.896 58.000 0.007 0.000 1.080 356 F CB 0.838 39.817 39.000 -0.036 0.000 1.131 356 F HN 0.077 nan 8.300 nan 0.000 0.471 357 L N 7.374 128.561 121.223 -0.061 0.000 2.346 357 L HA 0.681 5.022 4.340 0.001 0.000 0.276 357 L C -1.445 175.390 176.870 -0.058 0.000 1.006 357 L CA -0.571 54.361 54.840 0.154 0.000 0.817 357 L CB 1.469 43.710 42.059 0.303 0.000 1.272 357 L HN 0.539 nan 8.230 nan 0.000 0.421 358 I N 3.402 124.053 120.570 0.135 0.000 2.499 358 I HA 0.254 4.425 4.170 0.001 0.000 0.288 358 I C -0.409 175.960 176.117 0.419 0.000 1.048 358 I CA -0.452 60.960 61.300 0.187 0.000 1.062 358 I CB 2.097 40.164 38.000 0.111 0.000 1.238 358 I HN 0.488 nan 8.210 nan 0.000 0.426 359 S N 7.034 122.960 115.700 0.376 0.000 2.404 359 S HA 0.610 5.080 4.470 0.001 0.000 0.309 359 S C -0.953 173.865 174.600 0.362 0.000 1.076 359 S CA -0.266 58.139 58.200 0.341 0.000 1.095 359 S CB -0.102 63.282 63.200 0.307 0.000 0.972 359 S HN 0.485 nan 8.310 nan 0.000 0.484 360 Y N 0.862 121.265 120.300 0.172 0.000 2.670 360 Y HA 0.672 5.223 4.550 0.001 0.000 0.334 360 Y C -1.227 174.723 175.900 0.083 0.000 1.185 360 Y CA -1.591 56.566 58.100 0.096 0.000 1.053 360 Y CB 0.367 38.919 38.460 0.154 0.000 1.298 360 Y HN 0.262 nan 8.280 nan 0.000 0.459 361 D N 2.069 122.510 120.400 0.069 0.000 2.225 361 D HA 0.225 4.866 4.640 0.001 0.000 0.248 361 D C -0.550 175.753 176.300 0.005 0.000 1.096 361 D CA -0.130 53.843 54.000 -0.045 0.000 0.863 361 D CB 1.096 41.869 40.800 -0.044 0.000 1.156 361 D HN 0.703 nan 8.370 nan 0.000 0.450 362 N N 1.256 119.944 118.700 -0.021 0.000 2.530 362 N HA 0.378 5.119 4.740 0.001 0.000 0.283 362 N C -2.348 173.195 175.510 0.054 0.000 1.238 362 N CA -1.646 51.479 53.050 0.126 0.000 0.971 362 N CB -0.164 38.387 38.487 0.107 0.000 1.195 362 N HN -0.100 nan 8.380 nan 0.000 0.583 363 P HA -0.168 nan 4.420 nan 0.000 0.218 363 P C 1.291 178.619 177.300 0.046 0.000 1.148 363 P CA 1.503 64.647 63.100 0.072 0.000 0.822 363 P CB 0.218 31.980 31.700 0.102 0.000 0.784 364 Q N -0.257 119.565 119.800 0.037 0.000 2.084 364 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 364 Q C 1.869 177.878 176.000 0.014 0.000 0.978 364 Q CA 1.470 57.286 55.803 0.022 0.000 0.844 364 Q CB -0.417 28.327 28.738 0.010 0.000 0.898 364 Q HN 0.047 nan 8.270 nan 0.000 0.426 365 V N 0.871 120.784 119.914 -0.000 0.000 2.427 365 V HA -0.237 3.884 4.120 0.001 0.000 0.248 365 V C 2.314 178.413 176.094 0.008 0.000 1.051 365 V CA 1.595 63.889 62.300 -0.010 0.000 1.048 365 V CB -0.875 30.927 31.823 -0.035 0.000 0.666 365 V HN 0.481 nan 8.190 nan 0.000 0.456 366 A N 0.408 123.243 122.820 0.025 0.000 1.902 366 A HA -0.273 4.048 4.320 0.001 0.000 0.217 366 A C 2.033 179.656 177.584 0.066 0.000 1.181 366 A CA 2.347 54.421 52.037 0.062 0.000 0.623 366 A CB -0.798 18.246 19.000 0.072 0.000 0.818 366 A HN 0.657 nan 8.150 nan 0.000 0.443 367 N N -0.159 118.572 118.700 0.052 0.000 2.084 367 N HA -0.083 4.658 4.740 0.001 0.000 0.190 367 N C 1.621 177.160 175.510 0.049 0.000 1.030 367 N CA 1.431 54.511 53.050 0.050 0.000 0.849 367 N CB -0.319 38.194 38.487 0.043 0.000 1.012 367 N HN 0.448 nan 8.380 nan 0.000 0.423 368 L N 1.007 122.254 121.223 0.041 0.000 2.012 368 L HA -0.189 4.152 4.340 0.001 0.000 0.210 368 L C 2.080 178.987 176.870 0.061 0.000 1.073 368 L CA 1.314 56.182 54.840 0.046 0.000 0.748 368 L CB -0.328 41.746 42.059 0.024 0.000 0.891 368 L HN 0.172 nan 8.230 nan 0.000 0.431 369 K N -0.601 119.822 120.400 0.039 0.000 2.211 369 K HA -0.090 4.231 4.320 0.001 0.000 0.203 369 K C 2.257 178.915 176.600 0.096 0.000 1.050 369 K CA 1.249 57.570 56.287 0.057 0.000 0.945 369 K CB -0.043 32.466 32.500 0.015 0.000 0.732 369 K HN 0.187 nan 8.250 nan 0.000 0.451 370 S N 0.298 116.034 115.700 0.059 0.000 2.371 370 S HA -0.076 4.394 4.470 0.001 0.000 0.224 370 S C 2.067 176.672 174.600 0.009 0.000 1.029 370 S CA 1.238 59.446 58.200 0.013 0.000 0.978 370 S CB -0.245 62.968 63.200 0.023 0.000 0.833 370 S HN 0.557 nan 8.310 nan 0.000 0.466 371 G N -0.036 108.799 108.800 0.058 0.000 2.422 371 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 371 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 371 G C 1.250 176.217 174.900 0.111 0.000 1.140 371 G CA 0.649 45.791 45.100 0.070 0.000 0.775 371 G HN 0.523 nan 8.290 nan 0.000 0.545 372 Y N 1.169 121.466 120.300 -0.004 0.000 2.163 372 Y HA -0.023 4.528 4.550 0.002 0.000 0.288 372 Y C 2.567 178.455 175.900 -0.020 0.000 1.136 372 Y CA 1.125 59.224 58.100 -0.002 0.000 1.147 372 Y CB -0.240 38.202 38.460 -0.029 0.000 0.987 372 Y HN 0.171 nan 8.280 nan 0.000 0.509 373 I N 0.231 120.787 120.570 -0.023 0.000 2.208 373 I HA -0.362 3.809 4.170 0.001 0.000 0.245 373 I C 2.365 178.412 176.117 -0.116 0.000 1.097 373 I CA 1.685 62.901 61.300 -0.141 0.000 1.363 373 I CB -0.354 37.539 38.000 -0.177 0.000 1.051 373 I HN 0.190 nan 8.210 nan 0.000 0.413 374 K N 0.422 120.768 120.400 -0.090 0.000 2.057 374 K HA -0.138 4.183 4.320 0.001 0.000 0.206 374 K C 2.303 178.923 176.600 0.032 0.000 1.050 374 K CA 1.811 58.113 56.287 0.025 0.000 0.935 374 K CB -0.323 32.194 32.500 0.028 0.000 0.715 374 K HN 0.421 nan 8.250 nan 0.000 0.439 375 S N 0.976 116.668 115.700 -0.014 0.000 2.399 375 S HA -0.105 4.366 4.470 0.001 0.000 0.231 375 S C 1.766 176.326 174.600 -0.066 0.000 1.022 375 S CA 0.920 59.111 58.200 -0.017 0.000 0.983 375 S CB -0.110 63.099 63.200 0.014 0.000 0.803 375 S HN 0.076 nan 8.310 nan 0.000 0.480 376 L N 1.343 122.470 121.223 -0.160 0.000 2.585 376 L HA 0.441 4.781 4.340 0.001 0.000 0.226 376 L C 1.664 178.484 176.870 -0.083 0.000 1.113 376 L CA 0.690 55.427 54.840 -0.172 0.000 0.876 376 L CB -0.730 41.114 42.059 -0.358 0.000 1.072 376 L HN 0.587 nan 8.230 nan 0.000 0.468 377 G N 0.296 109.089 108.800 -0.012 0.000 2.246 377 G HA2 -0.273 3.688 3.960 0.001 0.000 0.273 377 G HA3 -0.273 3.688 3.960 0.001 0.000 0.273 377 G C 0.413 175.338 174.900 0.042 0.000 1.055 377 G CA 0.258 45.387 45.100 0.047 0.000 0.851 377 G HN 0.270 nan 8.290 nan 0.000 0.500 378 L N -0.888 120.357 121.223 0.037 0.000 2.474 378 L HA 0.427 4.767 4.340 0.001 0.000 0.259 378 L C 2.066 178.993 176.870 0.095 0.000 1.232 378 L CA 0.291 55.135 54.840 0.005 0.000 0.821 378 L CB 0.294 42.314 42.059 -0.066 0.000 1.108 378 L HN 0.203 nan 8.230 nan 0.000 0.495 379 G N -0.576 108.236 108.800 0.021 0.000 2.679 379 G HA2 0.373 4.333 3.960 0.001 0.000 0.212 379 G HA3 0.373 4.333 3.960 0.001 0.000 0.212 379 G C 0.586 175.502 174.900 0.026 0.000 1.137 379 G CA 0.694 45.791 45.100 -0.004 0.000 0.787 379 G HN 1.007 nan 8.290 nan 0.000 0.534 380 G N -1.486 107.348 108.800 0.055 0.000 2.260 380 G HA2 0.525 4.486 3.960 0.001 0.000 0.250 380 G HA3 0.525 4.486 3.960 0.001 0.000 0.250 380 G C -1.048 173.761 174.900 -0.152 0.000 1.340 380 G CA -0.203 44.895 45.100 -0.003 0.000 1.056 380 G HN 1.175 nan 8.290 nan 0.000 0.471 381 A N -0.510 122.167 122.820 -0.239 0.000 2.401 381 A HA 0.917 5.238 4.320 0.001 0.000 0.310 381 A C -0.295 176.948 177.584 -0.569 0.000 1.075 381 A CA -0.208 51.539 52.037 -0.483 0.000 0.746 381 A CB 1.941 20.527 19.000 -0.689 0.000 1.277 381 A HN 1.812 nan 8.150 nan 0.000 0.425 382 M N 2.101 121.319 119.600 -0.636 0.000 2.501 382 M HA 0.591 5.072 4.480 0.001 0.000 0.293 382 M C -2.336 173.761 176.300 -0.338 0.000 1.192 382 M CA -0.504 54.626 55.300 -0.284 0.000 0.886 382 M CB 1.713 34.336 32.600 0.037 0.000 1.710 382 M HN 0.801 nan 8.290 nan 0.000 0.457 383 W N 2.966 124.443 121.300 0.295 0.000 3.032 383 W HA 0.446 5.107 4.660 0.001 0.000 0.335 383 W C -1.395 175.375 176.519 0.417 0.000 1.154 383 W CA -0.650 56.880 57.345 0.309 0.000 1.204 383 W CB 1.630 31.192 29.460 0.170 0.000 1.416 383 W HN 0.714 nan 8.180 nan 0.000 0.521 384 W N 4.808 126.341 121.300 0.388 0.000 2.619 384 W HA 0.353 5.013 4.660 0.001 0.000 0.327 384 W C -1.411 175.210 176.519 0.170 0.000 1.027 384 W CA -0.652 56.802 57.345 0.182 0.000 1.233 384 W CB 1.645 31.056 29.460 -0.082 0.000 1.370 384 W HN 0.568 nan 8.180 nan 0.000 0.453 385 D N 0.973 121.257 120.400 -0.193 0.000 2.493 385 D HA 0.332 4.973 4.640 0.001 0.000 0.239 385 D C 0.995 177.118 176.300 -0.295 0.000 1.049 385 D CA -0.377 53.276 54.000 -0.577 0.000 1.008 385 D CB 1.688 41.676 40.800 -1.353 0.000 1.398 385 D HN 0.078 nan 8.370 nan 0.000 0.513 386 S N 0.003 115.547 115.700 -0.260 0.000 2.419 386 S HA -0.262 4.209 4.470 0.001 0.000 0.235 386 S C 1.796 176.114 174.600 -0.469 0.000 1.019 386 S CA 1.367 59.472 58.200 -0.158 0.000 0.982 386 S CB -1.037 62.255 63.200 0.154 0.000 0.789 386 S HN 0.598 nan 8.310 nan 0.000 0.490 387 S N 1.685 116.893 115.700 -0.820 0.000 2.481 387 S HA 0.009 4.479 4.470 0.001 0.000 0.231 387 S C 1.602 175.929 174.600 -0.454 0.000 0.996 387 S CA 0.661 58.173 58.200 -1.145 0.000 0.942 387 S CB -0.651 62.014 63.200 -0.891 0.000 0.768 387 S HN 0.783 nan 8.310 nan 0.000 0.520 388 S N 0.029 115.603 115.700 -0.209 0.000 2.575 388 S HA 0.291 4.762 4.470 0.001 0.000 0.237 388 S C -0.220 174.446 174.600 0.110 0.000 0.975 388 S CA -0.598 57.614 58.200 0.020 0.000 0.960 388 S CB -0.202 63.088 63.200 0.151 0.000 0.822 388 S HN 0.401 nan 8.310 nan 0.000 0.472 389 D N 2.175 122.604 120.400 0.049 0.000 2.348 389 D HA 0.343 4.983 4.640 0.001 0.000 0.249 389 D C -0.062 176.311 176.300 0.121 0.000 1.110 389 D CA -0.277 53.815 54.000 0.154 0.000 0.967 389 D CB 0.931 41.724 40.800 -0.012 0.000 1.139 389 D HN 0.144 nan 8.370 nan 0.000 0.466 390 K N -0.099 120.411 120.400 0.184 0.000 2.098 390 K HA 0.382 4.703 4.320 0.001 0.000 0.244 390 K C 0.171 176.801 176.600 0.049 0.000 1.014 390 K CA -0.572 55.739 56.287 0.040 0.000 0.917 390 K CB 0.855 33.343 32.500 -0.020 0.000 1.072 390 K HN 0.581 nan 8.250 nan 0.000 0.477 391 T N -2.100 112.466 114.554 0.020 0.000 2.936 391 T HA 0.654 5.005 4.350 0.001 0.000 0.282 391 T C 0.661 175.373 174.700 0.020 0.000 1.003 391 T CA -0.158 61.953 62.100 0.019 0.000 1.005 391 T CB 1.424 70.300 68.868 0.013 0.000 1.097 391 T HN 0.839 nan 8.240 nan 0.000 0.532 392 G N 1.027 109.837 108.800 0.016 0.000 2.598 392 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 392 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 392 G C 0.975 175.891 174.900 0.026 0.000 1.302 392 G CA 0.835 45.946 45.100 0.017 0.000 0.903 392 G HN 1.903 nan 8.290 nan 0.000 0.575 393 S N -0.763 114.954 115.700 0.028 0.000 2.447 393 S HA -0.010 4.461 4.470 0.001 0.000 0.233 393 S C 1.367 176.002 174.600 0.059 0.000 1.006 393 S CA 1.918 60.140 58.200 0.036 0.000 0.957 393 S CB 0.051 63.270 63.200 0.031 0.000 0.773 393 S HN 0.569 nan 8.310 nan 0.000 0.507 394 D N 1.981 122.426 120.400 0.075 0.000 2.349 394 D HA 0.103 4.744 4.640 0.001 0.000 0.224 394 D C 0.578 177.007 176.300 0.214 0.000 1.029 394 D CA 0.288 54.371 54.000 0.138 0.000 0.879 394 D CB -0.061 40.809 40.800 0.116 0.000 0.906 394 D HN 0.467 nan 8.370 nan 0.000 0.528 395 S N 0.565 116.341 115.700 0.126 0.000 2.516 395 S HA 0.054 4.524 4.470 0.001 0.000 0.282 395 S C 1.542 176.155 174.600 0.022 0.000 1.286 395 S CA -0.511 57.746 58.200 0.096 0.000 1.066 395 S CB 0.446 63.651 63.200 0.009 0.000 0.884 395 S HN 0.113 nan 8.310 nan 0.000 0.491 396 L N 5.373 126.556 121.223 -0.066 0.000 2.141 396 L HA -0.065 4.276 4.340 0.001 0.000 0.209 396 L C 2.175 178.931 176.870 -0.191 0.000 1.094 396 L CA 0.989 55.744 54.840 -0.142 0.000 0.763 396 L CB -0.463 41.441 42.059 -0.259 0.000 0.908 396 L HN 0.731 nan 8.230 nan 0.000 0.437 397 I N -0.334 119.939 120.570 -0.495 0.000 2.179 397 I HA -0.256 3.915 4.170 0.001 0.000 0.242 397 I C 2.513 178.522 176.117 -0.181 0.000 1.088 397 I CA 1.522 62.385 61.300 -0.728 0.000 1.357 397 I CB -0.496 36.975 38.000 -0.882 0.000 1.051 397 I HN 0.243 nan 8.210 nan 0.000 0.409 398 T N 0.008 114.501 114.554 -0.103 0.000 2.746 398 T HA -0.160 4.191 4.350 0.001 0.000 0.267 398 T C 1.903 176.625 174.700 0.037 0.000 1.039 398 T CA 1.983 64.080 62.100 -0.006 0.000 1.142 398 T CB -0.382 68.483 68.868 -0.004 0.000 0.866 398 T HN 0.353 nan 8.240 nan 0.000 0.444 399 T N 1.873 116.449 114.554 0.037 0.000 2.684 399 T HA -0.097 4.254 4.350 0.001 0.000 0.267 399 T C 2.166 176.925 174.700 0.099 0.000 1.036 399 T CA 1.090 63.228 62.100 0.063 0.000 1.148 399 T CB -0.559 68.346 68.868 0.061 0.000 0.863 399 T HN 0.144 nan 8.240 nan 0.000 0.436 400 V N 1.014 121.026 119.914 0.165 0.000 2.307 400 V HA -0.130 3.991 4.120 0.001 0.000 0.245 400 V C 2.669 178.886 176.094 0.205 0.000 1.045 400 V CA 1.221 63.659 62.300 0.229 0.000 1.024 400 V CB -0.655 31.451 31.823 0.470 0.000 0.651 400 V HN 0.302 nan 8.190 nan 0.000 0.449 401 V N 0.654 120.716 119.914 0.245 0.000 2.332 401 V HA -0.336 3.784 4.120 0.001 0.000 0.248 401 V C 2.101 178.260 176.094 0.107 0.000 1.055 401 V CA 2.618 65.065 62.300 0.245 0.000 1.038 401 V CB -1.037 30.948 31.823 0.269 0.000 0.651 401 V HN 0.641 nan 8.190 nan 0.000 0.450 402 N N 0.126 118.869 118.700 0.072 0.000 2.084 402 N HA -0.152 4.588 4.740 0.001 0.000 0.190 402 N C 1.944 177.476 175.510 0.037 0.000 1.030 402 N CA 1.212 54.282 53.050 0.034 0.000 0.849 402 N CB -0.322 38.184 38.487 0.031 0.000 1.012 402 N HN 0.480 nan 8.380 nan 0.000 0.423 403 A N 1.203 124.053 122.820 0.050 0.000 1.978 403 A HA -0.083 4.237 4.320 0.001 0.000 0.220 403 A C 2.030 179.626 177.584 0.020 0.000 1.170 403 A CA 1.035 53.094 52.037 0.038 0.000 0.636 403 A CB -0.606 18.421 19.000 0.045 0.000 0.810 403 A HN 0.220 nan 8.150 nan 0.000 0.448 404 L N -1.876 119.355 121.223 0.014 0.000 2.465 404 L HA 0.093 4.434 4.340 0.001 0.000 0.224 404 L C 1.720 178.623 176.870 0.054 0.000 1.145 404 L CA 0.770 55.586 54.840 -0.040 0.000 0.834 404 L CB -0.132 41.871 42.059 -0.092 0.000 0.944 404 L HN 0.625 nan 8.230 nan 0.000 0.451 405 G N -1.198 107.630 108.800 0.047 0.000 2.198 405 G HA2 0.074 4.035 3.960 0.001 0.000 0.156 405 G HA3 0.074 4.035 3.960 0.001 0.000 0.156 405 G C 0.491 175.386 174.900 -0.007 0.000 1.012 405 G CA -0.336 44.790 45.100 0.043 0.000 0.692 405 G HN 0.724 nan 8.290 nan 0.000 0.492 406 G N -1.382 107.391 108.800 -0.045 0.000 2.712 406 G HA2 0.292 4.252 3.960 0.001 0.000 0.683 406 G HA3 0.292 4.252 3.960 0.001 0.000 0.683 406 G C 0.967 175.636 174.900 -0.384 0.000 1.320 406 G CA 0.814 45.824 45.100 -0.150 0.000 0.847 406 G HN 1.800 nan 8.290 nan 0.000 0.553 407 T N -1.866 112.348 114.554 -0.567 0.000 2.977 407 T HA 0.101 4.452 4.350 0.001 0.000 0.271 407 T C 2.501 176.831 174.700 -0.617 0.000 1.105 407 T CA 1.948 63.392 62.100 -1.094 0.000 1.116 407 T CB -0.319 68.171 68.868 -0.631 0.000 0.878 407 T HN 1.949 nan 8.240 nan 0.000 0.509 408 G N 1.720 110.347 108.800 -0.288 0.000 2.443 408 G HA2 -0.075 3.886 3.960 0.001 0.000 0.219 408 G HA3 -0.075 3.886 3.960 0.001 0.000 0.219 408 G C 1.515 176.392 174.900 -0.039 0.000 1.131 408 G CA 0.904 45.933 45.100 -0.118 0.000 0.775 408 G HN 0.760 nan 8.290 nan 0.000 0.547 409 V N -2.813 117.094 119.914 -0.012 0.000 3.646 409 V HA 0.391 4.512 4.120 0.001 0.000 0.277 409 V C 0.530 176.805 176.094 0.301 0.000 1.274 409 V CA -0.980 61.404 62.300 0.141 0.000 1.164 409 V CB -1.059 30.918 31.823 0.257 0.000 0.926 409 V HN -0.027 nan 8.190 nan 0.000 0.442 410 F N 2.286 122.296 119.950 0.099 0.000 2.506 410 F HA 0.351 4.879 4.527 0.001 0.000 0.351 410 F C 1.005 176.830 175.800 0.041 0.000 1.136 410 F CA -1.363 56.694 58.000 0.094 0.000 1.298 410 F CB 0.391 39.442 39.000 0.085 0.000 1.145 410 F HN 0.321 nan 8.300 nan 0.000 0.593 411 E N 2.501 122.815 120.200 0.190 0.000 2.414 411 E HA -0.011 4.340 4.350 0.001 0.000 0.263 411 E C -0.917 175.748 176.600 0.107 0.000 1.000 411 E CA -0.376 56.077 56.400 0.088 0.000 0.914 411 E CB 0.513 30.238 29.700 0.041 0.000 0.948 411 E HN 0.383 nan 8.360 nan 0.000 0.444 412 Q N 2.377 122.223 119.800 0.077 0.000 2.333 412 Q HA 0.318 4.659 4.340 0.001 0.000 0.265 412 Q C -1.175 174.853 176.000 0.047 0.000 0.989 412 Q CA -0.533 55.310 55.803 0.066 0.000 0.842 412 Q CB 1.851 30.622 28.738 0.055 0.000 1.262 412 Q HN 0.548 nan 8.270 nan 0.000 0.451 413 S N 2.092 117.815 115.700 0.039 0.000 2.605 413 S HA 0.250 4.721 4.470 0.001 0.000 0.279 413 S C -0.631 173.980 174.600 0.018 0.000 1.166 413 S CA -0.917 57.304 58.200 0.036 0.000 0.975 413 S CB 1.316 64.556 63.200 0.067 0.000 1.111 413 S HN 0.369 nan 8.310 nan 0.000 0.465 414 Q N 3.048 122.855 119.800 0.011 0.000 2.330 414 Q HA 0.134 4.475 4.340 0.001 0.000 0.279 414 Q C 0.504 176.508 176.000 0.008 0.000 1.024 414 Q CA 0.332 56.136 55.803 0.002 0.000 0.900 414 Q CB 0.351 29.087 28.738 -0.004 0.000 1.221 414 Q HN 0.898 nan 8.270 nan 0.000 0.396 415 N N 0.750 119.454 118.700 0.007 0.000 2.366 415 N HA 0.120 4.861 4.740 0.001 0.000 0.277 415 N C -0.588 174.958 175.510 0.061 0.000 1.275 415 N CA -0.487 52.588 53.050 0.042 0.000 0.964 415 N CB 0.513 39.017 38.487 0.027 0.000 1.167 415 N HN 0.384 nan 8.380 nan 0.000 0.568 416 E N -0.984 119.306 120.200 0.150 0.000 2.151 416 E HA 0.333 4.684 4.350 0.001 0.000 0.275 416 E C -0.471 176.263 176.600 0.222 0.000 0.936 416 E CA -0.330 56.160 56.400 0.149 0.000 0.777 416 E CB 0.705 30.556 29.700 0.252 0.000 1.108 416 E HN 0.655 nan 8.360 nan 0.000 0.401 417 L N 2.501 123.806 121.223 0.135 0.000 2.701 417 L HA 0.348 4.688 4.340 0.001 0.000 0.238 417 L C 0.079 177.143 176.870 0.324 0.000 1.106 417 L CA -0.082 54.907 54.840 0.247 0.000 0.898 417 L CB 0.492 42.609 42.059 0.096 0.000 1.188 417 L HN 0.505 nan 8.230 nan 0.000 0.508 418 D N -0.388 120.037 120.400 0.042 0.000 2.274 418 D HA 0.227 4.868 4.640 0.001 0.000 0.239 418 D C -1.207 174.914 176.300 -0.299 0.000 1.104 418 D CA -0.134 53.858 54.000 -0.012 0.000 0.840 418 D CB 0.649 41.431 40.800 -0.031 0.000 1.100 418 D HN -0.081 nan 8.370 nan 0.000 0.477 419 Y N 4.808 125.182 120.300 0.123 0.000 2.662 419 Y HA 0.253 4.804 4.550 0.001 0.000 0.358 419 Y C -1.570 174.373 175.900 0.072 0.000 1.041 419 Y CA -1.560 56.615 58.100 0.124 0.000 1.184 419 Y CB 1.654 40.148 38.460 0.057 0.000 1.114 419 Y HN 0.402 nan 8.280 nan 0.000 0.650 420 P HA -0.158 nan 4.420 nan 0.000 0.219 420 P C 0.851 178.196 177.300 0.075 0.000 1.146 420 P CA 1.492 64.633 63.100 0.068 0.000 0.808 420 P CB 0.434 32.148 31.700 0.023 0.000 0.779 421 V N -3.547 116.440 119.914 0.121 0.000 3.121 421 V HA 0.312 4.433 4.120 0.001 0.000 0.344 421 V C 0.747 176.882 176.094 0.069 0.000 1.390 421 V CA -0.618 61.737 62.300 0.092 0.000 1.177 421 V CB -0.745 31.148 31.823 0.116 0.000 1.163 421 V HN -0.022 nan 8.190 nan 0.000 0.484 422 S N 1.625 117.368 115.700 0.072 0.000 2.531 422 S HA 0.144 4.615 4.470 0.001 0.000 0.279 422 S C 1.370 175.913 174.600 -0.094 0.000 1.305 422 S CA 0.360 58.564 58.200 0.006 0.000 1.058 422 S CB 1.238 64.457 63.200 0.032 0.000 0.899 422 S HN 0.834 nan 8.310 nan 0.000 0.493 423 Q N 3.412 123.067 119.800 -0.242 0.000 2.437 423 Q HA -0.048 4.293 4.340 0.001 0.000 0.210 423 Q C -0.707 175.016 176.000 -0.462 0.000 0.972 423 Q CA 1.091 56.670 55.803 -0.373 0.000 0.903 423 Q CB -0.287 28.144 28.738 -0.511 0.000 0.967 423 Q HN 0.743 nan 8.270 nan 0.000 0.486 424 Y N 2.208 122.452 120.300 -0.094 0.000 2.383 424 Y HA 0.151 4.702 4.550 0.001 0.000 0.344 424 Y C 0.682 176.509 175.900 -0.123 0.000 0.986 424 Y CA -1.081 56.945 58.100 -0.123 0.000 1.175 424 Y CB 0.926 39.271 38.460 -0.191 0.000 1.152 424 Y HN 0.036 nan 8.280 nan 0.000 0.511 425 D N 1.864 122.285 120.400 0.035 0.000 2.104 425 D HA -0.228 4.413 4.640 0.001 0.000 0.194 425 D C 1.610 177.891 176.300 -0.030 0.000 0.994 425 D CA 1.854 55.855 54.000 0.000 0.000 0.830 425 D CB -0.015 40.794 40.800 0.014 0.000 0.959 425 D HN 0.665 nan 8.370 nan 0.000 0.452 426 N N 1.579 120.244 118.700 -0.058 0.000 2.166 426 N HA -0.163 4.578 4.740 0.001 0.000 0.186 426 N C 2.069 177.458 175.510 -0.201 0.000 1.019 426 N CA 0.697 53.674 53.050 -0.121 0.000 0.856 426 N CB -0.946 37.433 38.487 -0.180 0.000 0.993 426 N HN 0.289 nan 8.380 nan 0.000 0.426 427 L N 0.141 121.214 121.223 -0.251 0.000 2.095 427 L HA 0.109 4.450 4.340 0.001 0.000 0.204 427 L C 2.859 179.568 176.870 -0.269 0.000 1.080 427 L CA 0.637 55.216 54.840 -0.435 0.000 0.759 427 L CB -0.213 41.558 42.059 -0.480 0.000 0.914 427 L HN 0.071 nan 8.230 nan 0.000 0.439 428 R N 0.117 120.554 120.500 -0.106 0.000 2.159 428 R HA -0.162 4.179 4.340 0.001 0.000 0.237 428 R C 0.994 177.288 176.300 -0.010 0.000 1.131 428 R CA 1.876 57.967 56.100 -0.016 0.000 0.982 428 R CB -0.282 30.018 30.300 -0.000 0.000 0.868 428 R HN 0.534 nan 8.270 nan 0.000 0.453 429 N N -0.895 117.780 118.700 -0.040 0.000 2.295 429 N HA 0.107 4.847 4.740 0.001 0.000 0.221 429 N C 0.102 175.610 175.510 -0.002 0.000 1.129 429 N CA 0.312 53.354 53.050 -0.014 0.000 0.836 429 N CB 1.104 39.583 38.487 -0.013 0.000 1.040 429 N HN 0.382 nan 8.380 nan 0.000 0.494 430 G N 1.355 110.149 108.800 -0.010 0.000 2.148 430 G HA2 -0.343 3.618 3.960 0.001 0.000 0.254 430 G HA3 -0.343 3.618 3.960 0.001 0.000 0.254 430 G C 0.376 175.344 174.900 0.114 0.000 0.981 430 G CA 0.180 45.340 45.100 0.101 0.000 0.670 430 G HN 0.342 nan 8.290 nan 0.000 0.528 431 M N -0.672 118.891 119.600 -0.061 0.000 2.917 431 M HA -0.138 4.343 4.480 0.001 0.000 0.176 431 M C 0.658 176.969 176.300 0.019 0.000 1.181 431 M CA 0.508 55.782 55.300 -0.044 0.000 0.723 431 M CB -1.075 31.543 32.600 0.029 0.000 1.207 431 M HN 0.568 nan 8.290 nan 0.000 0.761 432 Q N 0.000 119.801 119.800 0.002 0.000 2.315 432 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 432 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 432 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 432 Q HN 0.000 nan 8.270 nan 0.000 0.481