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 2o4c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRILADENIP VVDAFFADQG SIRRLPGRAI DRAALAEVDV LLVRSVTEVS DATA SEQUENCE RAALAGSPVR FVGTcTIGTD HLDLDYFAEA GIAWSSAPGc NARGVVDYVL DATA SEQUENCE GCLLAMAEVR GADLAERTYG VVGAGQVGGR LVEVLRGLGW KVLVCDPPRQ DATA SEQUENCE AREPDGEFVS LERLLAEADV ISLHTPLNRD GEHPTRHLLD EPRLAALRPG DATA SEQUENCE TWLVNASRGA VVDNQALRRL LEGGADLEVA LDVWEGEPQA DPELAARCLI DATA SEQUENCE ATPHIAGYSL EGKLRGTAQI YQAYCAWRGI AERVSLQDVL PETWLAGLQL DATA SEQUENCE NPGCDPAWAL ATLCRAVYDP RSDDAAFRRS LTGDSATRRA AFDALRKHYP DATA SEQUENCE PRREITGLRV ATGGQAELQR VVRALGAQLV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.357 176.300 0.095 0.000 1.140 1 M CA 0.000 55.372 55.300 0.120 0.000 0.988 1 M CB 0.000 32.716 32.600 0.194 0.000 1.302 2 R N 4.082 124.632 120.500 0.084 0.000 2.246 2 R HA 0.758 5.098 4.340 -0.000 0.000 0.332 2 R C -1.112 175.207 176.300 0.032 0.000 0.974 2 R CA -0.452 55.679 56.100 0.052 0.000 0.837 2 R CB 0.734 31.062 30.300 0.046 0.000 1.145 2 R HN 0.593 nan 8.270 nan 0.000 0.467 3 I N 3.741 124.309 120.570 -0.003 0.000 2.359 3 I HA 0.270 4.440 4.170 -0.000 0.000 0.294 3 I C -0.713 175.369 176.117 -0.060 0.000 0.987 3 I CA -0.939 60.321 61.300 -0.067 0.000 1.225 3 I CB 1.510 39.417 38.000 -0.155 0.000 1.366 3 I HN 0.306 nan 8.210 nan 0.000 0.466 4 L N 6.832 128.015 121.223 -0.066 0.000 2.349 4 L HA 0.807 5.147 4.340 -0.000 0.000 0.278 4 L C -0.499 176.328 176.870 -0.072 0.000 0.996 4 L CA -0.156 54.653 54.840 -0.051 0.000 0.825 4 L CB 1.303 43.348 42.059 -0.024 0.000 1.243 4 L HN 0.686 nan 8.230 nan 0.000 0.412 5 A N 3.400 126.180 122.820 -0.066 0.000 2.350 5 A HA 0.500 4.819 4.320 -0.000 0.000 0.324 5 A C -0.835 176.731 177.584 -0.031 0.000 1.118 5 A CA -0.686 51.314 52.037 -0.062 0.000 0.783 5 A CB 0.801 19.757 19.000 -0.073 0.000 1.236 5 A HN 0.689 nan 8.150 nan 0.000 0.457 6 D N 1.760 122.146 120.400 -0.023 0.000 2.487 6 D HA -0.069 4.571 4.640 -0.000 0.000 0.243 6 D C 1.384 177.679 176.300 -0.008 0.000 1.154 6 D CA 0.574 54.566 54.000 -0.013 0.000 0.876 6 D CB 0.821 41.615 40.800 -0.011 0.000 1.161 6 D HN 0.707 nan 8.370 nan 0.000 0.478 7 E N 3.020 123.217 120.200 -0.005 0.000 2.209 7 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 7 E C 0.825 177.427 176.600 0.002 0.000 0.993 7 E CA 0.860 57.260 56.400 0.000 0.000 0.819 7 E CB -0.120 29.581 29.700 0.002 0.000 0.745 7 E HN 0.308 nan 8.360 nan 0.000 0.477 8 N N 0.636 119.335 118.700 -0.002 0.000 2.459 8 N HA 0.051 4.791 4.740 -0.000 0.000 0.181 8 N C 0.179 175.686 175.510 -0.005 0.000 1.046 8 N CA 0.533 53.580 53.050 -0.005 0.000 0.904 8 N CB -0.049 38.432 38.487 -0.011 0.000 0.964 8 N HN 0.279 nan 8.380 nan 0.000 0.444 9 I N 3.106 123.677 120.570 0.001 0.000 2.452 9 I HA 0.099 4.268 4.170 -0.000 0.000 0.287 9 I C -1.881 174.255 176.117 0.030 0.000 1.079 9 I CA -1.527 59.779 61.300 0.011 0.000 1.387 9 I CB 0.777 38.786 38.000 0.015 0.000 1.404 9 I HN -0.087 nan 8.210 nan 0.000 0.522 10 P HA 0.150 nan 4.420 nan 0.000 0.279 10 P C 0.325 177.685 177.300 0.100 0.000 1.252 10 P CA -0.224 62.906 63.100 0.049 0.000 0.811 10 P CB 1.408 33.126 31.700 0.030 0.000 1.035 11 V N -0.379 119.588 119.914 0.088 0.000 4.349 11 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 11 V C 1.832 178.059 176.094 0.221 0.000 0.442 11 V CA 1.269 63.634 62.300 0.109 0.000 0.865 11 V CB -2.452 29.444 31.823 0.121 0.000 0.887 11 V HN 0.399 nan 8.190 nan 0.000 1.302 12 V N -0.564 119.467 119.914 0.197 0.000 2.358 12 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 12 V C 2.099 178.353 176.094 0.268 0.000 1.047 12 V CA 2.731 65.202 62.300 0.284 0.000 1.035 12 V CB -0.342 31.563 31.823 0.137 0.000 0.658 12 V HN 0.744 nan 8.190 nan 0.000 0.452 13 D N 0.369 120.841 120.400 0.119 0.000 2.097 13 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 13 D C 2.220 178.513 176.300 -0.012 0.000 0.989 13 D CA 1.541 55.579 54.000 0.063 0.000 0.827 13 D CB -0.333 40.480 40.800 0.020 0.000 0.966 13 D HN 0.398 nan 8.370 nan 0.000 0.456 14 A N -0.371 122.390 122.820 -0.099 0.000 1.908 14 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 14 A C 1.927 179.235 177.584 -0.461 0.000 1.181 14 A CA 1.265 53.127 52.037 -0.291 0.000 0.627 14 A CB -0.921 17.836 19.000 -0.406 0.000 0.818 14 A HN 0.250 nan 8.150 nan 0.000 0.445 15 F N -2.524 117.233 119.950 -0.321 0.000 2.219 15 F HA 0.116 4.643 4.527 -0.000 0.000 0.294 15 F C 1.466 176.824 175.800 -0.737 0.000 1.086 15 F CA 0.868 58.390 58.000 -0.797 0.000 1.330 15 F CB -0.022 38.378 39.000 -0.999 0.000 1.047 15 F HN 0.172 nan 8.300 nan 0.000 0.495 16 F N -0.948 118.997 119.950 -0.008 0.000 2.653 16 F HA 0.368 4.895 4.527 -0.000 0.000 0.304 16 F C 1.805 177.605 175.800 0.000 0.000 1.092 16 F CA 0.066 58.070 58.000 0.006 0.000 1.279 16 F CB -0.536 38.437 39.000 -0.045 0.000 1.044 16 F HN -0.098 nan 8.300 nan 0.000 0.564 17 A N 0.796 123.680 122.820 0.106 0.000 1.858 17 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 17 A C 1.949 179.575 177.584 0.069 0.000 1.190 17 A CA 2.148 54.226 52.037 0.069 0.000 0.617 17 A CB -0.764 18.245 19.000 0.015 0.000 0.827 17 A HN 0.398 nan 8.150 nan 0.000 0.443 18 D N -1.340 119.094 120.400 0.056 0.000 2.352 18 D HA -0.020 4.620 4.640 -0.000 0.000 0.232 18 D C 1.372 177.729 176.300 0.094 0.000 1.055 18 D CA 0.732 54.767 54.000 0.058 0.000 0.891 18 D CB -0.064 40.759 40.800 0.039 0.000 0.897 18 D HN 0.372 nan 8.370 nan 0.000 0.529 19 Q N -0.048 119.834 119.800 0.137 0.000 2.384 19 Q HA 0.370 4.709 4.340 -0.000 0.000 0.207 19 Q C 0.656 176.750 176.000 0.158 0.000 0.904 19 Q CA 0.657 56.574 55.803 0.190 0.000 0.933 19 Q CB 0.875 29.784 28.738 0.286 0.000 1.077 19 Q HN 0.412 nan 8.270 nan 0.000 0.522 20 G N -1.003 107.867 108.800 0.117 0.000 2.334 20 G HA2 0.089 4.049 3.960 -0.000 0.000 0.249 20 G HA3 0.089 4.049 3.960 -0.000 0.000 0.249 20 G C -1.328 173.612 174.900 0.068 0.000 1.327 20 G CA -0.345 44.807 45.100 0.087 0.000 0.979 20 G HN 0.294 nan 8.290 nan 0.000 0.471 21 S N -0.506 115.225 115.700 0.052 0.000 2.525 21 S HA 0.763 5.232 4.470 -0.000 0.000 0.278 21 S C -0.188 174.428 174.600 0.026 0.000 1.234 21 S CA -0.541 57.681 58.200 0.037 0.000 1.058 21 S CB 1.117 64.334 63.200 0.029 0.000 0.983 21 S HN 0.750 nan 8.310 nan 0.000 0.495 22 I N 2.711 123.293 120.570 0.021 0.000 2.377 22 I HA 0.537 4.707 4.170 -0.000 0.000 0.293 22 I C 0.432 176.549 176.117 0.000 0.000 0.987 22 I CA -0.612 60.690 61.300 0.002 0.000 1.185 22 I CB 1.585 39.593 38.000 0.013 0.000 1.341 22 I HN 0.624 nan 8.210 nan 0.000 0.455 23 R N 5.637 126.131 120.500 -0.010 0.000 2.670 23 R HA 0.654 4.993 4.340 -0.000 0.000 0.289 23 R C -1.140 175.153 176.300 -0.012 0.000 0.965 23 R CA -0.834 55.262 56.100 -0.006 0.000 0.899 23 R CB 1.787 32.085 30.300 -0.002 0.000 1.173 23 R HN 0.631 nan 8.270 nan 0.000 0.456 24 R N 3.928 124.425 120.500 -0.005 0.000 2.561 24 R HA 0.545 4.885 4.340 -0.000 0.000 0.297 24 R C -1.096 175.202 176.300 -0.003 0.000 0.969 24 R CA -0.671 55.425 56.100 -0.006 0.000 0.879 24 R CB 1.764 32.063 30.300 -0.001 0.000 1.178 24 R HN 0.413 nan 8.270 nan 0.000 0.445 25 L N 2.893 124.113 121.223 -0.004 0.000 2.415 25 L HA 0.548 4.888 4.340 -0.000 0.000 0.256 25 L C -2.441 174.428 176.870 -0.002 0.000 1.010 25 L CA -2.581 52.258 54.840 -0.002 0.000 0.826 25 L CB 2.778 44.836 42.059 -0.002 0.000 1.405 25 L HN 0.320 nan 8.230 nan 0.000 0.410 26 P HA -0.003 nan 4.420 nan 0.000 0.268 26 P C 0.502 177.801 177.300 -0.002 0.000 1.208 26 P CA 0.144 63.243 63.100 -0.000 0.000 0.777 26 P CB 0.679 32.380 31.700 0.001 0.000 0.875 27 G N 2.915 111.713 108.800 -0.003 0.000 2.459 27 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 27 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 27 G C 1.137 176.035 174.900 -0.004 0.000 1.183 27 G CA 0.476 45.573 45.100 -0.005 0.000 0.776 27 G HN 0.632 nan 8.290 nan 0.000 0.552 28 R N 0.221 120.719 120.500 -0.004 0.000 2.297 28 R HA 0.470 4.810 4.340 -0.000 0.000 0.197 28 R C 1.984 178.282 176.300 -0.003 0.000 0.943 28 R CA 0.832 56.930 56.100 -0.004 0.000 1.038 28 R CB -0.033 30.264 30.300 -0.004 0.000 0.957 28 R HN 0.220 nan 8.270 nan 0.000 0.484 29 A N 1.439 124.258 122.820 -0.001 0.000 2.278 29 A HA 0.273 4.593 4.320 -0.000 0.000 0.212 29 A C 0.604 178.188 177.584 -0.000 0.000 1.213 29 A CA -0.188 51.849 52.037 -0.000 0.000 0.840 29 A CB -0.025 18.975 19.000 0.001 0.000 0.866 29 A HN 0.213 nan 8.150 nan 0.000 0.489 30 I N 1.957 122.526 120.570 -0.001 0.000 2.307 30 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 30 I C -0.623 175.495 176.117 0.001 0.000 1.021 30 I CA -0.581 60.719 61.300 0.000 0.000 1.224 30 I CB 1.028 39.028 38.000 -0.001 0.000 1.376 30 I HN 0.388 nan 8.210 nan 0.000 0.470 31 D N 4.897 125.299 120.400 0.003 0.000 2.904 31 D HA 0.331 4.971 4.640 -0.000 0.000 0.290 31 D C 0.823 177.127 176.300 0.006 0.000 1.180 31 D CA -0.746 53.255 54.000 0.002 0.000 1.065 31 D CB 0.613 41.413 40.800 -0.000 0.000 1.386 31 D HN 0.107 nan 8.370 nan 0.000 0.599 32 R N -0.475 120.028 120.500 0.005 0.000 2.103 32 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 32 R C 1.978 178.285 176.300 0.012 0.000 1.142 32 R CA 1.938 58.043 56.100 0.009 0.000 0.960 32 R CB -0.658 29.645 30.300 0.006 0.000 0.858 32 R HN 0.552 nan 8.270 nan 0.000 0.439 33 A N 1.038 123.864 122.820 0.009 0.000 1.930 33 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 33 A C 2.349 179.940 177.584 0.011 0.000 1.175 33 A CA 1.548 53.591 52.037 0.010 0.000 0.627 33 A CB -0.470 18.534 19.000 0.007 0.000 0.815 33 A HN 0.399 nan 8.150 nan 0.000 0.443 34 A N -0.296 122.529 122.820 0.010 0.000 1.969 34 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 34 A C 1.983 179.575 177.584 0.013 0.000 1.169 34 A CA 1.274 53.316 52.037 0.009 0.000 0.635 34 A CB -0.508 18.496 19.000 0.006 0.000 0.810 34 A HN 0.464 nan 8.150 nan 0.000 0.445 35 L N -0.740 120.493 121.223 0.016 0.000 2.552 35 L HA -0.022 4.318 4.340 -0.000 0.000 0.227 35 L C 2.729 179.615 176.870 0.027 0.000 1.146 35 L CA 0.452 55.305 54.840 0.021 0.000 0.858 35 L CB -0.411 41.663 42.059 0.025 0.000 0.969 35 L HN 0.410 nan 8.230 nan 0.000 0.451 36 A N 0.063 122.898 122.820 0.024 0.000 2.070 36 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 36 A C 1.554 179.155 177.584 0.029 0.000 1.159 36 A CA 1.322 53.375 52.037 0.027 0.000 0.656 36 A CB -0.181 18.832 19.000 0.022 0.000 0.800 36 A HN 0.475 nan 8.150 nan 0.000 0.453 37 E N -0.543 119.674 120.200 0.027 0.000 3.385 37 E HA 0.328 4.678 4.350 -0.000 0.000 0.206 37 E C -1.442 175.177 176.600 0.032 0.000 0.997 37 E CA -0.209 56.209 56.400 0.030 0.000 1.278 37 E CB 1.145 30.860 29.700 0.025 0.000 1.165 37 E HN 0.183 nan 8.360 nan 0.000 0.452 38 V N 1.280 121.215 119.914 0.035 0.000 2.409 38 V HA 0.152 4.272 4.120 -0.000 0.000 0.291 38 V C 0.265 176.391 176.094 0.055 0.000 1.020 38 V CA -0.513 61.809 62.300 0.036 0.000 0.848 38 V CB 1.801 33.638 31.823 0.023 0.000 0.990 38 V HN 0.218 nan 8.190 nan 0.000 0.430 39 D N 2.385 122.829 120.400 0.073 0.000 2.369 39 D HA 0.059 4.699 4.640 -0.000 0.000 0.231 39 D C 0.560 176.943 176.300 0.140 0.000 0.967 39 D CA 1.123 55.194 54.000 0.118 0.000 0.905 39 D CB 1.337 42.228 40.800 0.151 0.000 1.044 39 D HN 0.412 nan 8.370 nan 0.000 0.487 40 V N 2.028 122.013 119.914 0.118 0.000 2.409 40 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 40 V C -1.298 174.814 176.094 0.029 0.000 1.020 40 V CA -0.808 61.568 62.300 0.126 0.000 0.848 40 V CB 1.646 33.563 31.823 0.157 0.000 0.990 40 V HN -0.086 nan 8.190 nan 0.000 0.430 41 L N 7.549 128.794 121.223 0.035 0.000 2.282 41 L HA 0.665 5.004 4.340 -0.000 0.000 0.288 41 L C -0.843 176.014 176.870 -0.021 0.000 1.033 41 L CA -0.093 54.737 54.840 -0.016 0.000 0.807 41 L CB 1.353 43.395 42.059 -0.027 0.000 1.209 41 L HN 0.725 nan 8.230 nan 0.000 0.423 42 L N 7.008 128.200 121.223 -0.052 0.000 2.345 42 L HA 0.667 5.007 4.340 -0.000 0.000 0.274 42 L C -0.426 176.427 176.870 -0.029 0.000 0.999 42 L CA -0.786 54.027 54.840 -0.044 0.000 0.849 42 L CB 1.453 43.448 42.059 -0.107 0.000 1.220 42 L HN 0.522 nan 8.230 nan 0.000 0.422 43 V N 0.582 120.488 119.914 -0.013 0.000 3.155 43 V HA 0.699 4.819 4.120 -0.000 0.000 0.313 43 V C -0.210 175.883 176.094 -0.002 0.000 1.162 43 V CA -0.919 61.376 62.300 -0.008 0.000 1.048 43 V CB 2.305 34.126 31.823 -0.003 0.000 1.092 43 V HN 0.721 nan 8.190 nan 0.000 0.447 44 R N 0.081 120.579 120.500 -0.004 0.000 3.067 44 R HA 0.543 4.883 4.340 -0.000 0.000 0.222 44 R C 1.230 177.526 176.300 -0.007 0.000 1.551 44 R CA -0.038 56.058 56.100 -0.007 0.000 1.034 44 R CB 1.000 31.292 30.300 -0.013 0.000 1.889 44 R HN 0.895 nan 8.270 nan 0.000 0.526 45 S N -0.485 115.207 115.700 -0.014 0.000 2.720 45 S HA 0.007 4.477 4.470 -0.000 0.000 0.222 45 S C 1.281 175.868 174.600 -0.021 0.000 0.958 45 S CA -0.059 58.128 58.200 -0.021 0.000 0.943 45 S CB -0.062 63.115 63.200 -0.038 0.000 0.779 45 S HN 0.277 nan 8.310 nan 0.000 0.526 46 V N 0.853 120.759 119.914 -0.014 0.000 2.581 46 V HA 0.047 4.167 4.120 -0.000 0.000 0.240 46 V C 1.192 177.281 176.094 -0.009 0.000 1.054 46 V CA 0.885 63.177 62.300 -0.013 0.000 1.076 46 V CB -0.951 30.866 31.823 -0.011 0.000 0.748 46 V HN 0.448 nan 8.190 nan 0.000 0.474 47 T N 1.458 116.010 114.554 -0.005 0.000 2.930 47 T HA 0.194 4.544 4.350 -0.000 0.000 0.306 47 T C -0.077 174.625 174.700 0.004 0.000 1.045 47 T CA 0.177 62.276 62.100 -0.001 0.000 1.134 47 T CB 1.074 69.942 68.868 0.001 0.000 0.961 47 T HN 0.303 nan 8.240 nan 0.000 0.545 48 E N 1.608 121.809 120.200 0.003 0.000 2.259 48 E HA 0.313 4.663 4.350 -0.000 0.000 0.281 48 E C 0.284 176.897 176.600 0.021 0.000 1.037 48 E CA -0.352 56.050 56.400 0.003 0.000 0.854 48 E CB 0.513 30.207 29.700 -0.009 0.000 1.051 48 E HN 0.467 nan 8.360 nan 0.000 0.409 49 V N 1.591 121.530 119.914 0.041 0.000 2.909 49 V HA 0.317 4.437 4.120 -0.000 0.000 0.362 49 V C 0.256 176.423 176.094 0.122 0.000 1.356 49 V CA -0.111 62.256 62.300 0.111 0.000 1.195 49 V CB -0.430 31.497 31.823 0.173 0.000 1.256 49 V HN 0.482 nan 8.190 nan 0.000 0.567 50 S N 0.134 115.831 115.700 -0.006 0.000 2.652 50 S HA 0.418 4.888 4.470 -0.000 0.000 0.267 50 S C 1.193 175.635 174.600 -0.263 0.000 1.201 50 S CA 0.141 58.266 58.200 -0.126 0.000 0.996 50 S CB 1.557 64.674 63.200 -0.139 0.000 1.054 50 S HN 0.516 nan 8.310 nan 0.000 0.561 51 R N 0.236 120.400 120.500 -0.560 0.000 2.080 51 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 51 R C 2.426 178.455 176.300 -0.453 0.000 1.137 51 R CA 1.696 57.196 56.100 -1.000 0.000 0.943 51 R CB -1.312 28.463 30.300 -0.875 0.000 0.846 51 R HN 0.819 nan 8.270 nan 0.000 0.431 52 A N 0.710 123.369 122.820 -0.268 0.000 1.903 52 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 52 A C 2.386 179.913 177.584 -0.095 0.000 1.191 52 A CA 2.181 54.131 52.037 -0.144 0.000 0.638 52 A CB -0.924 18.012 19.000 -0.107 0.000 0.823 52 A HN 0.619 nan 8.150 nan 0.000 0.451 53 A N -1.111 121.657 122.820 -0.086 0.000 1.929 53 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 53 A C 2.118 179.702 177.584 0.001 0.000 1.176 53 A CA 1.444 53.462 52.037 -0.033 0.000 0.628 53 A CB -0.349 18.641 19.000 -0.017 0.000 0.816 53 A HN 0.467 nan 8.150 nan 0.000 0.444 54 L N -1.121 120.109 121.223 0.012 0.000 2.408 54 L HA 0.225 4.564 4.340 -0.000 0.000 0.215 54 L C 1.451 178.404 176.870 0.138 0.000 1.081 54 L CA 0.128 55.034 54.840 0.110 0.000 0.840 54 L CB -0.290 41.925 42.059 0.260 0.000 1.002 54 L HN 0.325 nan 8.230 nan 0.000 0.468 55 A N 0.435 123.318 122.820 0.104 0.000 2.548 55 A HA 0.363 4.682 4.320 -0.000 0.000 0.247 55 A C 1.315 178.954 177.584 0.091 0.000 1.067 55 A CA 0.872 52.996 52.037 0.145 0.000 0.757 55 A CB -0.377 18.673 19.000 0.083 0.000 0.996 55 A HN 0.606 nan 8.150 nan 0.000 0.504 56 G N 1.435 110.294 108.800 0.098 0.000 2.176 56 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.232 56 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.232 56 G C 0.457 175.393 174.900 0.060 0.000 0.986 56 G CA 0.698 45.838 45.100 0.066 0.000 0.643 56 G HN 2.149 nan 8.290 nan 0.000 0.522 57 S N 0.014 115.757 115.700 0.072 0.000 2.651 57 S HA 0.776 5.246 4.470 -0.000 0.000 0.291 57 S C -1.285 173.354 174.600 0.065 0.000 1.141 57 S CA -0.741 57.496 58.200 0.061 0.000 1.027 57 S CB 2.587 65.821 63.200 0.058 0.000 1.043 57 S HN 0.101 nan 8.310 nan 0.000 0.530 58 P HA 0.175 nan 4.420 nan 0.000 0.255 58 P C -0.370 176.972 177.300 0.071 0.000 1.357 58 P CA -0.208 62.931 63.100 0.065 0.000 0.839 58 P CB -0.366 31.371 31.700 0.062 0.000 1.356 59 V N 1.826 121.775 119.914 0.058 0.000 2.458 59 V HA 0.012 4.131 4.120 -0.000 0.000 0.287 59 V C 1.684 177.788 176.094 0.017 0.000 1.009 59 V CA 0.664 62.987 62.300 0.038 0.000 1.091 59 V CB -0.098 31.735 31.823 0.017 0.000 0.960 59 V HN 0.171 nan 8.190 nan 0.000 0.476 60 R N 3.349 123.872 120.500 0.038 0.000 2.373 60 R HA 0.300 4.639 4.340 -0.000 0.000 0.221 60 R C -0.313 175.859 176.300 -0.214 0.000 0.893 60 R CA 0.105 56.220 56.100 0.025 0.000 1.049 60 R CB 0.785 31.237 30.300 0.254 0.000 1.119 60 R HN 0.584 nan 8.270 nan 0.000 0.535 61 F N 0.670 120.376 119.950 -0.407 0.000 2.588 61 F HA 0.353 4.880 4.527 -0.000 0.000 0.318 61 F C -1.373 174.222 175.800 -0.341 0.000 1.155 61 F CA -0.938 56.716 58.000 -0.578 0.000 0.967 61 F CB 1.682 40.252 39.000 -0.717 0.000 1.236 61 F HN -0.410 nan 8.300 nan 0.000 0.455 62 V N 5.196 124.587 119.914 -0.872 0.000 2.378 62 V HA 0.739 4.859 4.120 -0.000 0.000 0.288 62 V C 0.115 175.827 176.094 -0.636 0.000 1.016 62 V CA -0.508 61.447 62.300 -0.576 0.000 0.840 62 V CB 1.298 32.798 31.823 -0.539 0.000 0.994 62 V HN 0.958 nan 8.190 nan 0.000 0.431 63 G N 2.099 110.738 108.800 -0.267 0.000 2.461 63 G HA2 0.680 4.640 3.960 -0.000 0.000 0.323 63 G HA3 0.680 4.640 3.960 -0.000 0.000 0.323 63 G C -0.720 174.183 174.900 0.004 0.000 1.229 63 G CA -0.449 44.611 45.100 -0.067 0.000 0.941 63 G HN 0.669 nan 8.290 nan 0.000 0.477 64 T N -0.060 114.511 114.554 0.028 0.000 2.840 64 T HA 0.361 4.710 4.350 -0.000 0.000 0.317 64 T C 0.107 174.833 174.700 0.044 0.000 1.401 64 T CA -0.258 61.862 62.100 0.033 0.000 1.028 64 T CB 1.290 70.175 68.868 0.029 0.000 1.317 64 T HN 0.463 nan 8.240 nan 0.000 0.495 65 c N 0.725 119.343 118.600 0.030 0.000 2.341 65 c HA 0.146 4.716 4.570 -0.000 0.000 0.372 65 c C 2.790 176.894 174.090 0.022 0.000 1.430 65 c CA 1.007 57.352 56.329 0.026 0.000 2.316 65 c CB -0.597 41.919 42.510 0.010 0.000 2.416 65 c HN 1.055 nan 8.230 nan 0.000 0.583 66 T N 0.619 115.178 114.554 0.008 0.000 2.897 66 T HA -0.002 4.348 4.350 -0.000 0.000 0.271 66 T C 0.522 175.223 174.700 0.001 0.000 1.084 66 T CA 1.026 63.126 62.100 -0.000 0.000 1.123 66 T CB -0.612 68.248 68.868 -0.014 0.000 0.865 66 T HN 0.464 nan 8.240 nan 0.000 0.496 67 I N 1.847 122.426 120.570 0.015 0.000 2.336 67 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 67 I C 1.089 177.243 176.117 0.062 0.000 0.991 67 I CA -1.152 60.164 61.300 0.025 0.000 1.227 67 I CB 1.298 39.319 38.000 0.034 0.000 1.366 67 I HN 0.113 nan 8.210 nan 0.000 0.466 68 G N 2.444 111.301 108.800 0.095 0.000 2.599 68 G HA2 0.269 4.229 3.960 -0.000 0.000 0.264 68 G HA3 0.269 4.229 3.960 -0.000 0.000 0.264 68 G C 1.046 176.001 174.900 0.092 0.000 1.200 68 G CA -0.046 45.123 45.100 0.114 0.000 0.896 68 G HN 0.736 nan 8.290 nan 0.000 0.536 69 T N -2.363 112.223 114.554 0.054 0.000 3.007 69 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 69 T C 1.332 175.982 174.700 -0.083 0.000 1.107 69 T CA 1.475 63.566 62.100 -0.015 0.000 1.118 69 T CB 0.010 68.889 68.868 0.019 0.000 0.889 69 T HN 0.392 nan 8.240 nan 0.000 0.506 70 D N 1.107 121.464 120.400 -0.071 0.000 2.219 70 D HA -0.067 4.572 4.640 -0.000 0.000 0.205 70 D C 1.260 177.316 176.300 -0.407 0.000 0.970 70 D CA 0.951 54.813 54.000 -0.230 0.000 0.851 70 D CB -0.056 40.590 40.800 -0.256 0.000 0.943 70 D HN 0.628 nan 8.370 nan 0.000 0.488 71 H N -0.722 118.302 119.070 -0.078 0.000 2.592 71 H HA 0.266 4.822 4.556 -0.000 0.000 0.279 71 H C 0.187 175.443 175.328 -0.119 0.000 1.089 71 H CA -0.058 55.939 56.048 -0.084 0.000 1.150 71 H CB 1.252 30.984 29.762 -0.050 0.000 1.575 71 H HN 0.025 nan 8.280 nan 0.000 0.547 72 L N 1.152 122.309 121.223 -0.110 0.000 2.329 72 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 72 L C 0.410 177.003 176.870 -0.462 0.000 1.014 72 L CA -0.781 53.910 54.840 -0.249 0.000 0.814 72 L CB 2.038 43.970 42.059 -0.212 0.000 1.257 72 L HN -0.075 nan 8.230 nan 0.000 0.424 73 D N 3.162 123.177 120.400 -0.641 0.000 2.551 73 D HA 0.118 4.758 4.640 -0.000 0.000 0.223 73 D C 1.094 176.798 176.300 -0.993 0.000 1.144 73 D CA 0.160 53.775 54.000 -0.640 0.000 1.025 73 D CB 0.471 40.999 40.800 -0.453 0.000 1.085 73 D HN 0.439 nan 8.370 nan 0.000 0.506 74 L N 1.250 121.974 121.223 -0.832 0.000 2.093 74 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 74 L C 1.938 178.493 176.870 -0.526 0.000 1.085 74 L CA 0.920 55.213 54.840 -0.912 0.000 0.755 74 L CB -0.259 41.331 42.059 -0.782 0.000 0.904 74 L HN 0.323 nan 8.230 nan 0.000 0.435 75 D N -0.459 119.748 120.400 -0.322 0.000 2.149 75 D HA -0.295 4.344 4.640 -0.000 0.000 0.198 75 D C 2.021 178.259 176.300 -0.103 0.000 0.990 75 D CA 1.412 55.319 54.000 -0.156 0.000 0.839 75 D CB -0.507 40.231 40.800 -0.103 0.000 0.948 75 D HN 0.395 nan 8.370 nan 0.000 0.460 76 Y N 1.226 121.371 120.300 -0.258 0.000 2.200 76 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 76 Y C 2.108 178.019 175.900 0.018 0.000 1.137 76 Y CA 1.119 59.131 58.100 -0.148 0.000 1.163 76 Y CB -0.412 37.935 38.460 -0.189 0.000 0.988 76 Y HN -0.256 nan 8.280 nan 0.000 0.518 77 F N 0.393 120.156 119.950 -0.312 0.000 2.126 77 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 77 F C 2.683 178.399 175.800 -0.139 0.000 1.096 77 F CA 0.872 58.699 58.000 -0.288 0.000 1.255 77 F CB -1.683 37.167 39.000 -0.251 0.000 0.997 77 F HN 0.197 nan 8.300 nan 0.000 0.479 78 A N -0.194 122.696 122.820 0.116 0.000 1.858 78 A HA -0.248 4.071 4.320 -0.000 0.000 0.216 78 A C 2.292 179.888 177.584 0.019 0.000 1.190 78 A CA 1.807 53.925 52.037 0.134 0.000 0.617 78 A CB -1.030 18.038 19.000 0.113 0.000 0.827 78 A HN 0.415 nan 8.150 nan 0.000 0.443 79 E N -0.197 119.967 120.200 -0.060 0.000 2.097 79 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 79 E C 1.922 178.449 176.600 -0.121 0.000 1.000 79 E CA 1.297 57.653 56.400 -0.075 0.000 0.804 79 E CB -0.217 29.450 29.700 -0.055 0.000 0.740 79 E HN 0.531 nan 8.360 nan 0.000 0.454 80 A N -0.145 122.506 122.820 -0.282 0.000 2.178 80 A HA 0.245 4.565 4.320 -0.000 0.000 0.211 80 A C 1.543 179.071 177.584 -0.094 0.000 1.157 80 A CA 0.949 52.836 52.037 -0.251 0.000 0.780 80 A CB -0.108 18.568 19.000 -0.540 0.000 0.828 80 A HN 0.447 nan 8.150 nan 0.000 0.476 81 G N -0.369 108.408 108.800 -0.038 0.000 2.256 81 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.272 81 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.272 81 G C -0.123 174.793 174.900 0.027 0.000 1.076 81 G CA 0.324 45.444 45.100 0.033 0.000 0.882 81 G HN 0.482 nan 8.290 nan 0.000 0.497 82 I N 0.845 121.411 120.570 -0.007 0.000 2.336 82 I HA 0.598 4.768 4.170 -0.000 0.000 0.292 82 I C 0.925 176.978 176.117 -0.107 0.000 0.991 82 I CA -0.539 60.686 61.300 -0.125 0.000 1.227 82 I CB 1.645 39.474 38.000 -0.284 0.000 1.366 82 I HN 0.335 nan 8.210 nan 0.000 0.466 83 A N 6.452 129.054 122.820 -0.363 0.000 2.332 83 A HA 0.618 4.938 4.320 -0.000 0.000 0.258 83 A C -1.145 176.039 177.584 -0.666 0.000 1.087 83 A CA -0.138 51.553 52.037 -0.577 0.000 0.802 83 A CB 0.387 18.699 19.000 -1.146 0.000 1.042 83 A HN 0.839 nan 8.150 nan 0.000 0.489 84 W N -0.236 120.624 121.300 -0.734 0.000 3.217 84 W HA 0.659 5.319 4.660 -0.000 0.000 0.323 84 W C -0.850 175.344 176.519 -0.541 0.000 1.216 84 W CA -0.476 56.396 57.345 -0.788 0.000 1.194 84 W CB 1.068 30.298 29.460 -0.384 0.000 1.397 84 W HN 0.707 nan 8.180 nan 0.000 0.537 85 S N 1.973 117.473 115.700 -0.334 0.000 2.659 85 S HA 0.489 4.959 4.470 -0.000 0.000 0.312 85 S C -1.121 173.532 174.600 0.088 0.000 1.114 85 S CA -0.501 57.676 58.200 -0.038 0.000 1.063 85 S CB 1.167 64.427 63.200 0.099 0.000 0.996 85 S HN 0.732 nan 8.310 nan 0.000 0.478 86 S N 4.787 120.594 115.700 0.178 0.000 2.790 86 S HA 0.547 5.016 4.470 -0.000 0.000 0.202 86 S C 0.313 174.976 174.600 0.104 0.000 1.383 86 S CA -0.491 57.794 58.200 0.141 0.000 1.026 86 S CB -0.488 62.813 63.200 0.168 0.000 1.253 86 S HN 1.040 nan 8.310 nan 0.000 0.489 87 A N 5.582 128.451 122.820 0.082 0.000 2.540 87 A HA 0.348 4.668 4.320 -0.000 0.000 0.264 87 A C -2.426 175.190 177.584 0.053 0.000 1.080 87 A CA -0.587 51.489 52.037 0.065 0.000 0.776 87 A CB -0.469 18.564 19.000 0.055 0.000 1.011 87 A HN 0.607 nan 8.150 nan 0.000 0.514 88 P HA 0.360 nan 4.420 nan 0.000 0.281 88 P C 0.757 178.075 177.300 0.030 0.000 1.252 88 P CA 1.093 64.220 63.100 0.044 0.000 0.778 88 P CB 0.946 32.673 31.700 0.046 0.000 0.895 89 G N 2.633 111.449 108.800 0.026 0.000 2.314 89 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.292 89 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.292 89 G C 0.928 175.832 174.900 0.007 0.000 1.059 89 G CA 0.069 45.178 45.100 0.015 0.000 0.982 89 G HN 0.571 nan 8.290 nan 0.000 0.505 90 c N -0.196 118.407 118.600 0.006 0.000 2.429 90 c HA -0.054 4.516 4.570 -0.000 0.000 0.277 90 c C 2.058 176.136 174.090 -0.020 0.000 1.262 90 c CA 1.326 57.651 56.329 -0.006 0.000 1.733 90 c CB -0.530 41.974 42.510 -0.009 0.000 2.010 90 c HN 0.919 nan 8.230 nan 0.000 0.483 91 N N 0.550 119.237 118.700 -0.020 0.000 2.338 91 N HA 0.287 5.027 4.740 -0.000 0.000 0.251 91 N C 0.589 176.092 175.510 -0.012 0.000 1.199 91 N CA 0.611 53.643 53.050 -0.030 0.000 0.879 91 N CB -0.252 38.206 38.487 -0.048 0.000 1.159 91 N HN 0.378 nan 8.380 nan 0.000 0.514 92 A N 1.023 123.838 122.820 -0.009 0.000 1.872 92 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 92 A C 2.240 179.816 177.584 -0.015 0.000 1.187 92 A CA 0.718 52.749 52.037 -0.011 0.000 0.614 92 A CB -0.300 18.692 19.000 -0.013 0.000 0.826 92 A HN 0.156 nan 8.150 nan 0.000 0.442 93 R N 0.131 120.624 120.500 -0.012 0.000 2.096 93 R HA -0.113 4.226 4.340 -0.000 0.000 0.235 93 R C 2.250 178.556 176.300 0.010 0.000 1.127 93 R CA 1.583 57.679 56.100 -0.007 0.000 0.968 93 R CB -1.561 28.735 30.300 -0.007 0.000 0.861 93 R HN 0.486 nan 8.270 nan 0.000 0.440 94 G N -0.299 108.502 108.800 0.001 0.000 2.475 94 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.220 94 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.220 94 G C 1.492 176.430 174.900 0.064 0.000 1.125 94 G CA 1.036 46.138 45.100 0.004 0.000 0.755 94 G HN 0.274 nan 8.290 nan 0.000 0.565 95 V N 0.427 120.373 119.914 0.053 0.000 2.453 95 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 95 V C 2.959 179.146 176.094 0.155 0.000 1.048 95 V CA 1.220 63.577 62.300 0.095 0.000 1.049 95 V CB -0.180 31.670 31.823 0.046 0.000 0.672 95 V HN 0.254 nan 8.190 nan 0.000 0.457 96 V N 0.474 120.432 119.914 0.074 0.000 2.343 96 V HA -0.245 3.874 4.120 -0.000 0.000 0.247 96 V C 2.310 178.480 176.094 0.126 0.000 1.051 96 V CA 2.169 64.505 62.300 0.061 0.000 1.036 96 V CB -0.731 31.092 31.823 -0.000 0.000 0.654 96 V HN 0.528 nan 8.190 nan 0.000 0.451 97 D N -0.918 119.575 120.400 0.155 0.000 2.117 97 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 97 D C 1.923 178.421 176.300 0.331 0.000 0.987 97 D CA 1.619 55.750 54.000 0.219 0.000 0.829 97 D CB -0.399 40.541 40.800 0.234 0.000 0.961 97 D HN 0.598 nan 8.370 nan 0.000 0.460 98 Y N 1.488 121.959 120.300 0.284 0.000 2.165 98 Y HA -0.244 4.305 4.550 -0.000 0.000 0.286 98 Y C 2.197 178.185 175.900 0.145 0.000 1.155 98 Y CA 1.270 59.556 58.100 0.310 0.000 1.164 98 Y CB -0.187 38.437 38.460 0.273 0.000 0.978 98 Y HN -0.198 nan 8.280 nan 0.000 0.513 99 V N 0.525 120.613 119.914 0.289 0.000 2.295 99 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 99 V C 2.446 178.589 176.094 0.082 0.000 1.049 99 V CA 2.041 64.453 62.300 0.187 0.000 1.024 99 V CB -0.862 31.121 31.823 0.267 0.000 0.648 99 V HN 0.454 nan 8.190 nan 0.000 0.447 100 L N 0.513 121.791 121.223 0.092 0.000 2.013 100 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 100 L C 2.665 179.535 176.870 0.000 0.000 1.073 100 L CA 2.014 56.896 54.840 0.069 0.000 0.753 100 L CB -1.249 40.845 42.059 0.058 0.000 0.890 100 L HN 0.489 nan 8.230 nan 0.000 0.432 101 G N -1.036 107.719 108.800 -0.076 0.000 2.440 101 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 101 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 101 G C 1.606 176.359 174.900 -0.246 0.000 1.154 101 G CA 0.982 45.960 45.100 -0.203 0.000 0.767 101 G HN 0.432 nan 8.290 nan 0.000 0.552 102 C N 0.292 119.419 119.300 -0.289 0.000 2.429 102 C HA 0.066 4.526 4.460 -0.000 0.000 0.277 102 C C 2.902 177.775 174.990 -0.194 0.000 1.262 102 C CA 0.510 59.359 59.018 -0.281 0.000 1.733 102 C CB -1.099 26.470 27.740 -0.283 0.000 2.010 102 C HN 0.429 nan 8.230 nan 0.000 0.483 103 L N 0.283 121.471 121.223 -0.059 0.000 2.083 103 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 103 L C 2.541 179.386 176.870 -0.041 0.000 1.083 103 L CA 1.377 56.240 54.840 0.038 0.000 0.752 103 L CB -0.655 41.567 42.059 0.272 0.000 0.899 103 L HN 0.406 nan 8.230 nan 0.000 0.433 104 L N -0.372 120.826 121.223 -0.041 0.000 2.046 104 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 104 L C 2.900 179.690 176.870 -0.133 0.000 1.077 104 L CA 1.199 56.004 54.840 -0.058 0.000 0.747 104 L CB -0.723 41.298 42.059 -0.063 0.000 0.896 104 L HN 0.235 nan 8.230 nan 0.000 0.432 105 A N -0.287 122.420 122.820 -0.188 0.000 1.902 105 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 105 A C 2.296 179.708 177.584 -0.286 0.000 1.181 105 A CA 1.690 53.600 52.037 -0.211 0.000 0.623 105 A CB -0.435 18.433 19.000 -0.219 0.000 0.818 105 A HN 0.329 nan 8.150 nan 0.000 0.443 106 M N -0.611 118.718 119.600 -0.452 0.000 2.099 106 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 106 M C 2.542 178.404 176.300 -0.730 0.000 1.067 106 M CA 1.422 56.219 55.300 -0.839 0.000 1.124 106 M CB -0.383 31.314 32.600 -1.506 0.000 1.353 106 M HN 0.454 nan 8.290 nan 0.000 0.410 107 A N -0.001 122.561 122.820 -0.429 0.000 1.933 107 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 107 A C 1.965 179.542 177.584 -0.012 0.000 1.175 107 A CA 2.069 54.110 52.037 0.006 0.000 0.628 107 A CB -0.781 18.298 19.000 0.132 0.000 0.814 107 A HN 0.591 nan 8.150 nan 0.000 0.444 108 E N 0.140 120.293 120.200 -0.078 0.000 2.047 108 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 108 E C 1.956 178.525 176.600 -0.052 0.000 0.987 108 E CA 1.803 58.172 56.400 -0.052 0.000 0.799 108 E CB -0.242 29.416 29.700 -0.069 0.000 0.752 108 E HN 0.523 nan 8.360 nan 0.000 0.449 109 V N -0.709 119.147 119.914 -0.098 0.000 2.594 109 V HA -0.093 4.027 4.120 -0.000 0.000 0.253 109 V C 2.005 178.082 176.094 -0.027 0.000 1.069 109 V CA 1.433 63.690 62.300 -0.073 0.000 1.082 109 V CB -0.448 31.312 31.823 -0.105 0.000 0.680 109 V HN 0.150 nan 8.190 nan 0.000 0.469 110 R N 0.897 121.395 120.500 -0.003 0.000 2.265 110 R HA 0.289 4.629 4.340 -0.000 0.000 0.194 110 R C 1.778 178.131 176.300 0.088 0.000 0.931 110 R CA 0.721 56.873 56.100 0.086 0.000 1.032 110 R CB -0.197 30.249 30.300 0.244 0.000 0.980 110 R HN 0.829 nan 8.270 nan 0.000 0.497 111 G N 1.490 110.329 108.800 0.066 0.000 2.273 111 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.280 111 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.280 111 G C 0.059 175.004 174.900 0.075 0.000 1.047 111 G CA 0.480 45.615 45.100 0.059 0.000 0.869 111 G HN 0.533 nan 8.290 nan 0.000 0.502 112 A N -0.353 122.542 122.820 0.125 0.000 2.306 112 A HA 0.632 4.952 4.320 -0.000 0.000 0.314 112 A C 0.166 177.793 177.584 0.071 0.000 1.164 112 A CA -0.108 51.999 52.037 0.116 0.000 0.822 112 A CB 0.913 20.064 19.000 0.252 0.000 1.130 112 A HN 0.387 nan 8.150 nan 0.000 0.496 113 D N 2.381 122.777 120.400 -0.006 0.000 2.336 113 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 113 D C 1.037 177.243 176.300 -0.156 0.000 1.213 113 D CA -0.107 53.864 54.000 -0.049 0.000 0.870 113 D CB 0.427 41.194 40.800 -0.055 0.000 1.076 113 D HN 0.436 nan 8.370 nan 0.000 0.483 114 L N 3.302 124.416 121.223 -0.181 0.000 2.129 114 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 114 L C 2.288 178.567 176.870 -0.985 0.000 1.087 114 L CA 1.356 55.932 54.840 -0.440 0.000 0.757 114 L CB -0.276 41.529 42.059 -0.425 0.000 0.896 114 L HN 0.472 nan 8.230 nan 0.000 0.434 115 A N -0.954 121.350 122.820 -0.859 0.000 2.119 115 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 115 A C 2.018 179.352 177.584 -0.417 0.000 1.153 115 A CA 1.080 52.584 52.037 -0.888 0.000 0.692 115 A CB -0.135 18.757 19.000 -0.181 0.000 0.799 115 A HN 0.292 nan 8.150 nan 0.000 0.458 116 E N -0.129 119.882 120.200 -0.315 0.000 2.472 116 E HA 0.073 4.423 4.350 -0.000 0.000 0.196 116 E C 0.342 176.779 176.600 -0.271 0.000 1.033 116 E CA -0.017 56.256 56.400 -0.211 0.000 0.886 116 E CB 0.041 29.645 29.700 -0.160 0.000 0.944 116 E HN 0.367 nan 8.360 nan 0.000 0.492 117 R N 0.796 121.059 120.500 -0.395 0.000 2.679 117 R HA 0.235 4.575 4.340 -0.000 0.000 0.269 117 R C 0.013 176.020 176.300 -0.487 0.000 1.076 117 R CA 0.282 56.029 56.100 -0.589 0.000 1.160 117 R CB 0.397 30.125 30.300 -0.954 0.000 1.054 117 R HN -0.156 nan 8.270 nan 0.000 0.507 118 T N 3.171 117.407 114.554 -0.529 0.000 2.809 118 T HA 0.366 4.716 4.350 -0.000 0.000 0.296 118 T C -0.753 173.742 174.700 -0.342 0.000 1.015 118 T CA -0.416 61.518 62.100 -0.276 0.000 0.954 118 T CB 0.256 69.020 68.868 -0.174 0.000 0.950 118 T HN 0.226 nan 8.240 nan 0.000 0.450 119 Y N 1.070 121.365 120.300 -0.009 0.000 2.334 119 Y HA 0.596 5.146 4.550 -0.000 0.000 0.328 119 Y C 0.966 176.888 175.900 0.035 0.000 1.130 119 Y CA -0.719 57.401 58.100 0.033 0.000 1.163 119 Y CB 1.508 40.033 38.460 0.109 0.000 1.207 119 Y HN 0.751 nan 8.280 nan 0.000 0.471 120 G N 1.715 110.617 108.800 0.171 0.000 2.730 120 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 120 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 120 G C -1.811 173.174 174.900 0.142 0.000 1.456 120 G CA -0.564 44.606 45.100 0.117 0.000 0.996 120 G HN 0.462 nan 8.290 nan 0.000 0.528 121 V N 3.257 123.260 119.914 0.148 0.000 2.333 121 V HA 0.250 4.370 4.120 -0.000 0.000 0.274 121 V C 0.098 176.274 176.094 0.138 0.000 1.028 121 V CA -0.624 61.779 62.300 0.171 0.000 0.851 121 V CB 1.424 33.358 31.823 0.185 0.000 1.000 121 V HN 0.511 nan 8.190 nan 0.000 0.456 122 V N 4.458 124.437 119.914 0.107 0.000 2.320 122 V HA 0.777 4.897 4.120 -0.000 0.000 0.265 122 V C 0.746 176.898 176.094 0.097 0.000 1.048 122 V CA 0.225 62.572 62.300 0.079 0.000 0.865 122 V CB 0.389 32.232 31.823 0.034 0.000 1.043 122 V HN 1.220 nan 8.190 nan 0.000 0.474 123 G N 4.127 112.995 108.800 0.113 0.000 3.439 123 G HA2 0.295 4.255 3.960 -0.000 0.000 0.686 123 G HA3 0.295 4.255 3.960 -0.000 0.000 0.686 123 G C -0.281 174.713 174.900 0.157 0.000 1.075 123 G CA -0.305 44.868 45.100 0.121 0.000 0.926 123 G HN 1.551 nan 8.290 nan 0.000 0.485 124 A N 1.960 124.860 122.820 0.133 0.000 3.214 124 A HA 0.838 5.157 4.320 -0.000 0.000 0.304 124 A C 1.196 178.835 177.584 0.092 0.000 0.969 124 A CA 0.945 53.054 52.037 0.120 0.000 0.986 124 A CB 0.027 19.119 19.000 0.154 0.000 1.073 124 A HN 2.023 nan 8.150 nan 0.000 0.487 125 G N -0.726 108.115 108.800 0.069 0.000 3.286 125 G HA2 0.256 4.216 3.960 -0.000 0.000 0.173 125 G HA3 0.256 4.216 3.960 -0.000 0.000 0.173 125 G C 0.836 175.751 174.900 0.026 0.000 1.704 125 G CA 0.122 45.253 45.100 0.052 0.000 1.041 125 G HN 0.272 nan 8.290 nan 0.000 0.561 126 Q N -0.668 119.144 119.800 0.021 0.000 2.050 126 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 126 Q C 2.881 178.864 176.000 -0.029 0.000 0.980 126 Q CA 1.165 56.971 55.803 0.004 0.000 0.840 126 Q CB -0.767 27.979 28.738 0.014 0.000 0.898 126 Q HN 0.273 nan 8.270 nan 0.000 0.424 127 V N 0.080 119.962 119.914 -0.052 0.000 2.249 127 V HA -0.088 4.032 4.120 -0.000 0.000 0.239 127 V C 2.366 178.308 176.094 -0.253 0.000 1.038 127 V CA 1.835 64.044 62.300 -0.153 0.000 1.005 127 V CB -1.372 30.345 31.823 -0.176 0.000 0.646 127 V HN 0.423 nan 8.190 nan 0.000 0.455 128 G N 0.194 108.843 108.800 -0.252 0.000 2.505 128 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 128 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 128 G C 1.610 176.478 174.900 -0.054 0.000 1.145 128 G CA 1.216 46.226 45.100 -0.151 0.000 0.761 128 G HN 0.624 nan 8.290 nan 0.000 0.571 129 G N 0.182 108.969 108.800 -0.023 0.000 2.422 129 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.218 129 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.218 129 G C 1.947 176.827 174.900 -0.033 0.000 1.146 129 G CA 0.845 45.941 45.100 -0.007 0.000 0.769 129 G HN 0.454 nan 8.290 nan 0.000 0.547 130 R N -0.786 119.682 120.500 -0.054 0.000 2.075 130 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 130 R C 2.456 178.712 176.300 -0.072 0.000 1.126 130 R CA 0.993 57.058 56.100 -0.059 0.000 0.963 130 R CB -0.488 29.777 30.300 -0.058 0.000 0.858 130 R HN 0.354 nan 8.270 nan 0.000 0.435 131 L N 0.779 121.946 121.223 -0.094 0.000 1.989 131 L HA -0.180 4.159 4.340 -0.000 0.000 0.211 131 L C 2.087 178.919 176.870 -0.063 0.000 1.071 131 L CA 1.667 56.461 54.840 -0.076 0.000 0.749 131 L CB -0.602 41.409 42.059 -0.080 0.000 0.890 131 L HN -0.077 nan 8.230 nan 0.000 0.431 132 V N 0.892 120.781 119.914 -0.041 0.000 2.278 132 V HA -0.379 3.740 4.120 -0.000 0.000 0.251 132 V C 2.647 178.699 176.094 -0.069 0.000 1.062 132 V CA 2.339 64.617 62.300 -0.037 0.000 1.038 132 V CB -1.101 30.710 31.823 -0.019 0.000 0.646 132 V HN 0.791 nan 8.190 nan 0.000 0.447 133 E N -0.226 119.932 120.200 -0.071 0.000 2.208 133 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 133 E C 2.017 178.545 176.600 -0.119 0.000 0.988 133 E CA 1.308 57.659 56.400 -0.083 0.000 0.828 133 E CB -0.259 29.404 29.700 -0.063 0.000 0.763 133 E HN 0.418 nan 8.360 nan 0.000 0.478 134 V N 1.824 121.658 119.914 -0.134 0.000 2.270 134 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 134 V C 2.505 178.416 176.094 -0.306 0.000 1.043 134 V CA 1.584 63.770 62.300 -0.191 0.000 1.014 134 V CB -0.548 31.179 31.823 -0.159 0.000 0.645 134 V HN 0.280 nan 8.190 nan 0.000 0.447 135 L N -0.487 120.566 121.223 -0.283 0.000 1.989 135 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 135 L C 2.791 179.470 176.870 -0.318 0.000 1.071 135 L CA 1.863 56.482 54.840 -0.369 0.000 0.749 135 L CB -0.701 41.215 42.059 -0.239 0.000 0.890 135 L HN 0.214 nan 8.230 nan 0.000 0.431 136 R N -0.072 120.326 120.500 -0.170 0.000 2.096 136 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 136 R C 2.375 178.582 176.300 -0.155 0.000 1.127 136 R CA 1.148 57.182 56.100 -0.111 0.000 0.968 136 R CB -0.660 29.599 30.300 -0.068 0.000 0.861 136 R HN 0.470 nan 8.270 nan 0.000 0.440 137 G N 0.983 109.667 108.800 -0.194 0.000 2.432 137 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 137 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 137 G C 1.328 176.083 174.900 -0.241 0.000 1.135 137 G CA 0.434 45.425 45.100 -0.182 0.000 0.767 137 G HN 0.178 nan 8.290 nan 0.000 0.550 138 L N 0.079 121.042 121.223 -0.433 0.000 2.478 138 L HA 0.252 4.592 4.340 -0.000 0.000 0.223 138 L C 2.037 178.672 176.870 -0.392 0.000 1.140 138 L CA 0.546 55.027 54.840 -0.598 0.000 0.842 138 L CB 0.032 41.277 42.059 -1.357 0.000 0.953 138 L HN 0.373 nan 8.230 nan 0.000 0.452 139 G N -1.992 106.679 108.800 -0.215 0.000 2.131 139 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.223 139 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.223 139 G C -0.256 174.789 174.900 0.243 0.000 0.990 139 G CA -0.618 44.499 45.100 0.028 0.000 0.671 139 G HN 0.097 nan 8.290 nan 0.000 0.521 140 W N 0.945 122.246 121.300 0.001 0.000 2.283 140 W HA 0.645 5.305 4.660 -0.000 0.000 0.341 140 W C 0.708 177.265 176.519 0.064 0.000 1.206 140 W CA -1.622 55.751 57.345 0.046 0.000 1.294 140 W CB 0.480 29.952 29.460 0.019 0.000 1.154 140 W HN 0.075 nan 8.180 nan 0.000 0.613 141 K N 1.405 122.012 120.400 0.345 0.000 2.349 141 K HA 0.406 4.726 4.320 -0.000 0.000 0.288 141 K C -0.650 176.109 176.600 0.265 0.000 1.058 141 K CA -0.367 56.050 56.287 0.216 0.000 0.953 141 K CB 0.579 33.154 32.500 0.125 0.000 0.997 141 K HN 0.072 nan 8.250 nan 0.000 0.477 142 V N 4.727 124.742 119.914 0.169 0.000 2.483 142 V HA 0.234 4.354 4.120 -0.000 0.000 0.297 142 V C -0.745 175.398 176.094 0.080 0.000 1.027 142 V CA -1.052 61.342 62.300 0.157 0.000 0.855 142 V CB 1.230 33.117 31.823 0.107 0.000 0.995 142 V HN 0.522 nan 8.190 nan 0.000 0.424 143 L N 5.563 126.837 121.223 0.086 0.000 2.276 143 L HA 0.542 4.882 4.340 -0.000 0.000 0.286 143 L C -0.047 176.858 176.870 0.058 0.000 1.061 143 L CA 0.076 54.946 54.840 0.050 0.000 0.807 143 L CB 1.697 43.784 42.059 0.046 0.000 1.177 143 L HN 0.446 nan 8.230 nan 0.000 0.429 144 V N 2.717 122.649 119.914 0.031 0.000 2.384 144 V HA 0.309 4.428 4.120 -0.000 0.000 0.287 144 V C -0.313 175.879 176.094 0.163 0.000 1.020 144 V CA -0.665 61.675 62.300 0.068 0.000 0.850 144 V CB 1.616 33.419 31.823 -0.034 0.000 0.987 144 V HN 0.877 nan 8.190 nan 0.000 0.436 145 C N 4.993 124.389 119.300 0.160 0.000 2.264 145 C HA 0.692 5.151 4.460 -0.000 0.000 0.324 145 C C -0.488 174.587 174.990 0.142 0.000 1.267 145 C CA -0.133 58.975 59.018 0.149 0.000 1.618 145 C CB -0.450 27.340 27.740 0.082 0.000 2.278 145 C HN 0.971 nan 8.230 nan 0.000 0.499 146 D N 6.808 127.281 120.400 0.123 0.000 2.584 146 D HA 0.232 4.872 4.640 -0.000 0.000 0.238 146 D C -2.008 174.131 176.300 -0.269 0.000 1.302 146 D CA -0.791 53.193 54.000 -0.026 0.000 0.884 146 D CB 1.588 42.443 40.800 0.092 0.000 1.456 146 D HN 0.214 nan 8.370 nan 0.000 0.528 147 P HA -0.064 nan 4.420 nan 0.000 0.215 147 P C -1.571 175.473 177.300 -0.427 0.000 1.157 147 P CA 1.135 63.966 63.100 -0.449 0.000 0.874 147 P CB -0.349 30.877 31.700 -0.791 0.000 0.790 148 P HA -0.136 nan 4.420 nan 0.000 0.214 148 P C 1.566 178.730 177.300 -0.227 0.000 1.163 148 P CA 1.663 64.648 63.100 -0.191 0.000 0.889 148 P CB -0.365 31.275 31.700 -0.100 0.000 0.790 149 R N -0.561 119.756 120.500 -0.305 0.000 2.120 149 R HA -0.165 4.174 4.340 -0.000 0.000 0.234 149 R C 2.492 178.378 176.300 -0.689 0.000 1.123 149 R CA 1.266 57.142 56.100 -0.374 0.000 0.975 149 R CB -0.541 29.594 30.300 -0.274 0.000 0.866 149 R HN 0.335 nan 8.270 nan 0.000 0.446 150 Q N 0.243 119.462 119.800 -0.970 0.000 2.079 150 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 150 Q C 1.945 177.750 176.000 -0.324 0.000 0.974 150 Q CA 1.578 56.865 55.803 -0.861 0.000 0.840 150 Q CB -0.019 28.351 28.738 -0.615 0.000 0.898 150 Q HN 0.358 nan 8.270 nan 0.000 0.430 151 A N 0.738 123.418 122.820 -0.234 0.000 1.969 151 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 151 A C 1.872 179.411 177.584 -0.075 0.000 1.169 151 A CA 1.192 53.165 52.037 -0.107 0.000 0.635 151 A CB -0.224 18.738 19.000 -0.062 0.000 0.810 151 A HN 0.340 nan 8.150 nan 0.000 0.445 152 R N -0.437 120.007 120.500 -0.095 0.000 2.254 152 R HA 0.124 4.464 4.340 -0.000 0.000 0.195 152 R C -0.335 175.955 176.300 -0.017 0.000 0.957 152 R CA 0.442 56.515 56.100 -0.044 0.000 1.024 152 R CB 0.269 30.547 30.300 -0.036 0.000 0.952 152 R HN 0.489 nan 8.270 nan 0.000 0.484 153 E N 1.554 121.738 120.200 -0.027 0.000 2.346 153 E HA 0.133 4.483 4.350 -0.000 0.000 0.239 153 E C -2.035 174.623 176.600 0.096 0.000 0.943 153 E CA -1.710 54.732 56.400 0.070 0.000 0.751 153 E CB 1.573 31.385 29.700 0.188 0.000 1.241 153 E HN -0.013 nan 8.360 nan 0.000 0.423 154 P HA -0.041 nan 4.420 nan 0.000 0.236 154 P C 0.183 177.538 177.300 0.091 0.000 1.177 154 P CA 0.650 63.791 63.100 0.069 0.000 0.773 154 P CB 0.570 32.294 31.700 0.039 0.000 0.878 155 D N -0.044 120.414 120.400 0.095 0.000 2.271 155 D HA 0.054 4.693 4.640 -0.000 0.000 0.206 155 D C 1.436 177.788 176.300 0.087 0.000 0.967 155 D CA 0.502 54.548 54.000 0.077 0.000 0.867 155 D CB -0.320 40.513 40.800 0.054 0.000 0.960 155 D HN 0.109 nan 8.370 nan 0.000 0.509 156 G N 1.240 110.134 108.800 0.156 0.000 2.569 156 G HA2 0.222 4.181 3.960 -0.000 0.000 0.249 156 G HA3 0.222 4.181 3.960 -0.000 0.000 0.249 156 G C -0.127 174.797 174.900 0.041 0.000 1.216 156 G CA -0.447 44.705 45.100 0.086 0.000 0.845 156 G HN 0.096 nan 8.290 nan 0.000 0.568 157 E N 0.465 120.544 120.200 -0.202 0.000 2.046 157 E HA 0.476 4.826 4.350 -0.000 0.000 0.279 157 E C -1.296 175.097 176.600 -0.346 0.000 0.989 157 E CA -0.564 55.745 56.400 -0.151 0.000 0.798 157 E CB 0.734 30.372 29.700 -0.103 0.000 1.086 157 E HN 0.233 nan 8.360 nan 0.000 0.399 158 F N 1.675 121.630 119.950 0.008 0.000 2.556 158 F HA 0.510 5.037 4.527 -0.000 0.000 0.327 158 F C 0.156 175.960 175.800 0.006 0.000 1.059 158 F CA -1.112 56.891 58.000 0.006 0.000 0.953 158 F CB 1.948 40.946 39.000 -0.003 0.000 1.227 158 F HN 0.364 nan 8.300 nan 0.000 0.478 159 V N -1.349 118.684 119.914 0.199 0.000 3.074 159 V HA 0.806 4.926 4.120 -0.000 0.000 0.314 159 V C -0.264 175.887 176.094 0.095 0.000 1.117 159 V CA -1.072 61.296 62.300 0.112 0.000 1.014 159 V CB 1.297 33.161 31.823 0.068 0.000 1.057 159 V HN 0.842 nan 8.190 nan 0.000 0.438 160 S N 2.323 118.060 115.700 0.061 0.000 2.603 160 S HA 0.292 4.762 4.470 -0.000 0.000 0.268 160 S C 1.040 175.663 174.600 0.039 0.000 1.317 160 S CA -0.326 57.900 58.200 0.042 0.000 1.012 160 S CB 1.054 64.274 63.200 0.034 0.000 0.926 160 S HN 1.112 nan 8.310 nan 0.000 0.539 161 L N 0.805 122.047 121.223 0.031 0.000 2.079 161 L HA -0.147 4.192 4.340 -0.000 0.000 0.210 161 L C 2.039 178.924 176.870 0.024 0.000 1.081 161 L CA 2.297 57.154 54.840 0.029 0.000 0.752 161 L CB -1.354 40.722 42.059 0.028 0.000 0.896 161 L HN 0.854 nan 8.230 nan 0.000 0.433 162 E N -0.762 119.452 120.200 0.023 0.000 2.216 162 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 162 E C 2.181 178.789 176.600 0.013 0.000 0.988 162 E CA 0.572 56.981 56.400 0.016 0.000 0.834 162 E CB -0.242 29.468 29.700 0.016 0.000 0.772 162 E HN 0.385 nan 8.360 nan 0.000 0.479 163 R N 0.663 121.174 120.500 0.017 0.000 2.090 163 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 163 R C 2.250 178.557 176.300 0.011 0.000 1.110 163 R CA 0.650 56.758 56.100 0.014 0.000 0.973 163 R CB -0.235 30.077 30.300 0.021 0.000 0.869 163 R HN 0.279 nan 8.270 nan 0.000 0.440 164 L N 1.090 122.325 121.223 0.019 0.000 2.012 164 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 164 L C 2.128 179.000 176.870 0.003 0.000 1.073 164 L CA 1.472 56.323 54.840 0.018 0.000 0.748 164 L CB -0.218 41.861 42.059 0.033 0.000 0.891 164 L HN 0.253 nan 8.230 nan 0.000 0.431 165 L N -0.519 120.706 121.223 0.003 0.000 2.191 165 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 165 L C 2.669 179.530 176.870 -0.016 0.000 1.103 165 L CA 0.901 55.737 54.840 -0.007 0.000 0.769 165 L CB -0.778 41.280 42.059 -0.001 0.000 0.908 165 L HN 0.386 nan 8.230 nan 0.000 0.438 166 A N -0.354 122.459 122.820 -0.012 0.000 1.930 166 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 166 A C 2.098 179.664 177.584 -0.030 0.000 1.176 166 A CA 1.183 53.209 52.037 -0.018 0.000 0.632 166 A CB -0.077 18.917 19.000 -0.010 0.000 0.819 166 A HN 0.432 nan 8.150 nan 0.000 0.445 167 E N -0.856 119.326 120.200 -0.029 0.000 2.413 167 E HA 0.323 4.673 4.350 -0.000 0.000 0.203 167 E C 0.583 177.143 176.600 -0.066 0.000 0.957 167 E CA 0.180 56.555 56.400 -0.042 0.000 0.950 167 E CB 0.332 30.017 29.700 -0.025 0.000 0.957 167 E HN 0.485 nan 8.360 nan 0.000 0.497 168 A N 2.140 124.923 122.820 -0.062 0.000 2.401 168 A HA 0.114 4.434 4.320 -0.000 0.000 0.259 168 A C 0.078 177.572 177.584 -0.149 0.000 1.103 168 A CA -0.252 51.727 52.037 -0.096 0.000 0.789 168 A CB 0.172 19.143 19.000 -0.048 0.000 1.035 168 A HN 0.145 nan 8.150 nan 0.000 0.491 169 D N 0.640 120.888 120.400 -0.254 0.000 2.398 169 D HA 0.209 4.848 4.640 -0.000 0.000 0.210 169 D C -0.237 175.818 176.300 -0.409 0.000 1.094 169 D CA 0.116 53.917 54.000 -0.331 0.000 0.839 169 D CB 0.165 40.718 40.800 -0.412 0.000 0.963 169 D HN 0.134 nan 8.370 nan 0.000 0.506 170 V N 1.314 121.017 119.914 -0.351 0.000 2.525 170 V HA 0.400 4.520 4.120 -0.000 0.000 0.299 170 V C -0.491 175.607 176.094 0.006 0.000 1.034 170 V CA -0.796 61.400 62.300 -0.173 0.000 0.863 170 V CB 1.877 33.532 31.823 -0.280 0.000 0.999 170 V HN 0.046 nan 8.190 nan 0.000 0.423 171 I N 3.243 123.855 120.570 0.070 0.000 2.404 171 I HA 0.584 4.754 4.170 -0.000 0.000 0.293 171 I C 0.026 176.195 176.117 0.086 0.000 0.992 171 I CA -0.183 61.159 61.300 0.070 0.000 1.149 171 I CB 2.035 40.051 38.000 0.026 0.000 1.315 171 I HN 0.577 nan 8.210 nan 0.000 0.446 172 S N 6.837 122.587 115.700 0.083 0.000 2.561 172 S HA 0.671 5.140 4.470 -0.000 0.000 0.303 172 S C -0.765 173.708 174.600 -0.210 0.000 1.110 172 S CA -0.609 57.582 58.200 -0.015 0.000 1.034 172 S CB 0.815 64.113 63.200 0.164 0.000 1.010 172 S HN 0.429 nan 8.310 nan 0.000 0.482 173 L N 5.609 126.595 121.223 -0.395 0.000 2.275 173 L HA 0.572 4.912 4.340 -0.000 0.000 0.288 173 L C 0.038 176.514 176.870 -0.656 0.000 1.046 173 L CA -0.562 54.062 54.840 -0.359 0.000 0.805 173 L CB 0.806 42.748 42.059 -0.195 0.000 1.193 173 L HN 0.719 nan 8.230 nan 0.000 0.426 174 H N 1.210 120.296 119.070 0.026 0.000 2.924 174 H HA 0.143 4.699 4.556 -0.000 0.000 0.229 174 H C 0.001 175.345 175.328 0.026 0.000 1.345 174 H CA -0.245 55.817 56.048 0.024 0.000 1.044 174 H CB 0.725 30.509 29.762 0.036 0.000 2.221 174 H HN 0.620 nan 8.280 nan 0.000 0.574 175 T N -1.042 113.557 114.554 0.076 0.000 2.927 175 T HA 0.519 4.869 4.350 -0.000 0.000 0.281 175 T C -2.420 172.314 174.700 0.057 0.000 0.998 175 T CA -1.850 60.288 62.100 0.064 0.000 1.019 175 T CB 2.367 71.260 68.868 0.042 0.000 1.061 175 T HN -0.088 nan 8.240 nan 0.000 0.518 176 P HA 0.308 nan 4.420 nan 0.000 0.274 176 P C -0.901 176.431 177.300 0.053 0.000 1.260 176 P CA -0.828 62.308 63.100 0.060 0.000 0.793 176 P CB 0.244 31.988 31.700 0.075 0.000 1.048 177 L N 2.260 123.514 121.223 0.051 0.000 2.288 177 L HA 0.319 4.659 4.340 -0.000 0.000 0.283 177 L C -0.736 176.168 176.870 0.057 0.000 1.072 177 L CA 0.006 54.874 54.840 0.048 0.000 0.862 177 L CB -1.197 40.887 42.059 0.041 0.000 1.245 177 L HN 0.154 nan 8.230 nan 0.000 0.432 178 N N 4.249 122.984 118.700 0.058 0.000 2.469 178 N HA 0.306 5.046 4.740 -0.000 0.000 0.253 178 N C 0.669 176.202 175.510 0.039 0.000 0.970 178 N CA -0.339 52.746 53.050 0.058 0.000 0.940 178 N CB 1.681 40.205 38.487 0.062 0.000 1.128 178 N HN 0.501 nan 8.380 nan 0.000 0.503 179 R N 0.396 120.913 120.500 0.029 0.000 2.119 179 R HA 0.052 4.392 4.340 -0.000 0.000 0.222 179 R C 0.060 176.361 176.300 0.001 0.000 1.088 179 R CA 1.035 57.140 56.100 0.009 0.000 0.984 179 R CB 0.291 30.592 30.300 0.002 0.000 0.884 179 R HN 0.562 nan 8.270 nan 0.000 0.447 180 D N -1.867 118.535 120.400 0.004 0.000 2.720 180 D HA 0.433 5.073 4.640 -0.000 0.000 0.232 180 D C 0.467 176.758 176.300 -0.016 0.000 1.173 180 D CA 0.282 54.275 54.000 -0.011 0.000 1.082 180 D CB 0.154 40.944 40.800 -0.016 0.000 1.235 180 D HN 0.140 nan 8.370 nan 0.000 0.636 181 G N 0.429 109.208 108.800 -0.034 0.000 2.741 181 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.222 181 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.222 181 G C 0.592 175.438 174.900 -0.090 0.000 1.364 181 G CA 0.452 45.522 45.100 -0.050 0.000 0.866 181 G HN 0.526 nan 8.290 nan 0.000 0.555 182 E N -0.774 119.339 120.200 -0.144 0.000 2.072 182 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 182 E C 0.736 177.036 176.600 -0.500 0.000 0.985 182 E CA 1.336 57.533 56.400 -0.337 0.000 0.801 182 E CB 0.031 29.477 29.700 -0.423 0.000 0.750 182 E HN 0.595 nan 8.360 nan 0.000 0.452 183 H N 0.540 119.602 119.070 -0.012 0.000 2.645 183 H HA 0.264 4.820 4.556 -0.000 0.000 0.257 183 H C -2.324 173.005 175.328 0.001 0.000 1.269 183 H CA -2.113 53.932 56.048 -0.006 0.000 1.409 183 H CB 0.848 30.605 29.762 -0.008 0.000 1.434 183 H HN 0.130 nan 8.280 nan 0.000 0.505 184 P HA 0.035 nan 4.420 nan 0.000 0.275 184 P C 0.636 177.974 177.300 0.063 0.000 1.228 184 P CA -0.315 62.815 63.100 0.050 0.000 0.786 184 P CB 1.698 33.410 31.700 0.020 0.000 0.927 185 T N -1.773 112.815 114.554 0.056 0.000 3.043 185 T HA 0.115 4.465 4.350 -0.000 0.000 0.272 185 T C 0.744 175.482 174.700 0.064 0.000 0.990 185 T CA -0.350 61.785 62.100 0.057 0.000 0.897 185 T CB 0.080 68.979 68.868 0.053 0.000 1.111 185 T HN 0.320 nan 8.240 nan 0.000 0.529 186 R N 1.716 122.252 120.500 0.061 0.000 2.484 186 R HA 0.032 4.372 4.340 -0.000 0.000 0.293 186 R C -0.178 176.218 176.300 0.159 0.000 1.023 186 R CA 0.273 56.425 56.100 0.086 0.000 1.037 186 R CB -0.470 29.837 30.300 0.012 0.000 0.951 186 R HN 0.560 nan 8.270 nan 0.000 0.418 187 H N 2.647 121.719 119.070 0.003 0.000 2.776 187 H HA -0.231 4.325 4.556 -0.000 0.000 0.300 187 H C 1.267 176.596 175.328 0.002 0.000 1.161 187 H CA 0.487 56.536 56.048 0.001 0.000 1.147 187 H CB -0.719 29.046 29.762 0.005 0.000 1.366 187 H HN 0.675 nan 8.280 nan 0.000 0.397 188 L N 0.203 121.486 121.223 0.100 0.000 2.137 188 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 188 L C 0.900 177.790 176.870 0.033 0.000 1.085 188 L CA 1.591 56.465 54.840 0.056 0.000 0.760 188 L CB 0.070 42.151 42.059 0.037 0.000 0.893 188 L HN 0.273 nan 8.230 nan 0.000 0.434 189 L N 1.524 122.752 121.223 0.008 0.000 2.321 189 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 189 L C -0.714 176.134 176.870 -0.038 0.000 1.050 189 L CA -0.838 53.991 54.840 -0.018 0.000 0.893 189 L CB 0.461 42.495 42.059 -0.042 0.000 1.272 189 L HN 0.234 nan 8.230 nan 0.000 0.435 190 D N -0.029 120.373 120.400 0.003 0.000 2.478 190 D HA 0.132 4.772 4.640 -0.000 0.000 0.263 190 D C 1.007 177.306 176.300 -0.000 0.000 1.153 190 D CA -0.662 53.346 54.000 0.015 0.000 1.038 190 D CB 0.733 41.580 40.800 0.078 0.000 1.120 190 D HN 0.390 nan 8.370 nan 0.000 0.564 191 E N -0.299 119.908 120.200 0.012 0.000 2.070 191 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 191 E C -0.961 175.644 176.600 0.009 0.000 1.004 191 E CA 1.611 58.015 56.400 0.007 0.000 0.805 191 E CB -1.904 27.805 29.700 0.016 0.000 0.744 191 E HN 0.384 nan 8.360 nan 0.000 0.451 192 P HA -0.118 nan 4.420 nan 0.000 0.217 192 P C 1.123 178.427 177.300 0.007 0.000 1.150 192 P CA 1.471 64.578 63.100 0.012 0.000 0.832 192 P CB -0.014 31.695 31.700 0.015 0.000 0.787 193 R N -0.637 119.868 120.500 0.008 0.000 2.090 193 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 193 R C 2.650 178.949 176.300 -0.003 0.000 1.110 193 R CA 0.800 56.902 56.100 0.004 0.000 0.973 193 R CB -0.801 29.503 30.300 0.006 0.000 0.869 193 R HN 0.187 nan 8.270 nan 0.000 0.440 194 L N -0.048 121.171 121.223 -0.007 0.000 2.056 194 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 194 L C 2.533 179.400 176.870 -0.004 0.000 1.078 194 L CA 1.172 56.006 54.840 -0.010 0.000 0.749 194 L CB -0.454 41.594 42.059 -0.019 0.000 0.901 194 L HN 0.247 nan 8.230 nan 0.000 0.433 195 A N -0.241 122.578 122.820 -0.001 0.000 2.015 195 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 195 A C 2.317 179.901 177.584 0.000 0.000 1.163 195 A CA 1.432 53.470 52.037 0.001 0.000 0.646 195 A CB -0.475 18.527 19.000 0.004 0.000 0.806 195 A HN 0.391 nan 8.150 nan 0.000 0.448 196 A N -0.685 122.135 122.820 -0.001 0.000 2.208 196 A HA 0.398 4.718 4.320 -0.000 0.000 0.209 196 A C 0.800 178.379 177.584 -0.008 0.000 1.161 196 A CA -0.263 51.772 52.037 -0.004 0.000 0.782 196 A CB -0.371 18.627 19.000 -0.003 0.000 0.816 196 A HN 0.412 nan 8.150 nan 0.000 0.477 197 L N 1.622 122.841 121.223 -0.007 0.000 2.562 197 L HA 0.084 4.423 4.340 -0.000 0.000 0.271 197 L C 0.477 177.339 176.870 -0.013 0.000 1.167 197 L CA -0.277 54.556 54.840 -0.011 0.000 0.917 197 L CB 0.150 42.206 42.059 -0.005 0.000 1.187 197 L HN 0.339 nan 8.230 nan 0.000 0.482 198 R N 4.266 124.751 120.500 -0.026 0.000 2.698 198 R HA 0.071 4.411 4.340 -0.000 0.000 0.266 198 R C -2.157 174.128 176.300 -0.024 0.000 1.026 198 R CA -1.244 54.838 56.100 -0.030 0.000 1.102 198 R CB -0.144 30.128 30.300 -0.047 0.000 0.978 198 R HN 0.347 nan 8.270 nan 0.000 0.436 199 P HA -0.043 nan 4.420 nan 0.000 0.262 199 P C 0.357 177.650 177.300 -0.010 0.000 1.182 199 P CA 1.033 64.131 63.100 -0.004 0.000 0.761 199 P CB 0.596 32.294 31.700 -0.004 0.000 0.795 200 G N 1.377 110.192 108.800 0.024 0.000 2.143 200 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.249 200 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.249 200 G C 0.293 175.180 174.900 -0.021 0.000 0.981 200 G CA -0.017 45.108 45.100 0.041 0.000 0.665 200 G HN 0.592 nan 8.290 nan 0.000 0.528 201 T N 0.852 115.401 114.554 -0.009 0.000 2.910 201 T HA 0.492 4.842 4.350 -0.000 0.000 0.293 201 T C -0.095 174.707 174.700 0.169 0.000 1.015 201 T CA 0.171 62.234 62.100 -0.062 0.000 1.094 201 T CB 0.840 69.680 68.868 -0.047 0.000 0.968 201 T HN 0.291 nan 8.240 nan 0.000 0.521 202 W N 2.525 123.785 121.300 -0.068 0.000 2.606 202 W HA 0.680 5.340 4.660 -0.000 0.000 0.332 202 W C -0.620 175.874 176.519 -0.042 0.000 1.052 202 W CA -1.356 55.958 57.345 -0.052 0.000 1.223 202 W CB 0.573 30.002 29.460 -0.052 0.000 1.383 202 W HN 0.318 nan 8.180 nan 0.000 0.524 203 L N 3.106 124.441 121.223 0.186 0.000 2.409 203 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 203 L C -1.338 175.558 176.870 0.044 0.000 0.980 203 L CA -0.738 54.151 54.840 0.082 0.000 0.826 203 L CB 1.718 43.793 42.059 0.026 0.000 1.268 203 L HN 0.115 nan 8.230 nan 0.000 0.407 204 V N 4.288 124.225 119.914 0.039 0.000 2.448 204 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 204 V C -0.611 175.444 176.094 -0.064 0.000 1.025 204 V CA -0.594 61.717 62.300 0.018 0.000 0.859 204 V CB 1.569 33.449 31.823 0.095 0.000 0.988 204 V HN 0.800 nan 8.190 nan 0.000 0.431 205 N N 3.618 122.253 118.700 -0.109 0.000 2.569 205 N HA 0.610 5.350 4.740 -0.000 0.000 0.254 205 N C -0.140 175.244 175.510 -0.210 0.000 1.004 205 N CA -0.145 52.794 53.050 -0.185 0.000 0.904 205 N CB 1.817 40.178 38.487 -0.210 0.000 1.165 205 N HN 0.776 nan 8.380 nan 0.000 0.513 206 A N 2.261 124.972 122.820 -0.181 0.000 2.676 206 A HA 0.279 4.599 4.320 -0.000 0.000 0.297 206 A C 1.068 178.556 177.584 -0.160 0.000 1.132 206 A CA -0.025 51.881 52.037 -0.219 0.000 0.972 206 A CB -0.438 18.451 19.000 -0.184 0.000 1.197 206 A HN 0.630 nan 8.150 nan 0.000 0.524 207 S N 0.046 115.648 115.700 -0.162 0.000 2.477 207 S HA 0.431 4.901 4.470 -0.000 0.000 0.162 207 S C 0.657 175.183 174.600 -0.123 0.000 0.909 207 S CA -0.059 58.090 58.200 -0.084 0.000 1.147 207 S CB 0.105 63.269 63.200 -0.061 0.000 0.740 207 S HN 0.316 nan 8.310 nan 0.000 0.478 208 R N 0.260 120.702 120.500 -0.098 0.000 2.750 208 R HA 0.521 4.861 4.340 -0.000 0.000 0.281 208 R C 1.351 177.600 176.300 -0.085 0.000 0.972 208 R CA -0.080 55.974 56.100 -0.076 0.000 0.912 208 R CB 1.173 31.476 30.300 0.006 0.000 1.187 208 R HN 0.594 nan 8.270 nan 0.000 0.464 209 G N 1.274 110.038 108.800 -0.061 0.000 2.586 209 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 209 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 209 G C 0.999 175.889 174.900 -0.016 0.000 1.216 209 G CA 1.228 46.302 45.100 -0.044 0.000 0.786 209 G HN 0.627 nan 8.290 nan 0.000 0.583 210 A N -0.207 122.639 122.820 0.043 0.000 2.264 210 A HA 0.319 4.639 4.320 -0.000 0.000 0.207 210 A C 2.241 179.899 177.584 0.123 0.000 1.196 210 A CA 1.108 53.210 52.037 0.110 0.000 0.778 210 A CB -0.229 18.852 19.000 0.135 0.000 0.779 210 A HN 0.273 nan 8.150 nan 0.000 0.483 211 V N -0.774 119.160 119.914 0.032 0.000 2.667 211 V HA -0.065 4.054 4.120 -0.000 0.000 0.252 211 V C 0.837 176.916 176.094 -0.025 0.000 1.065 211 V CA 1.022 63.333 62.300 0.018 0.000 1.083 211 V CB -0.271 31.541 31.823 -0.019 0.000 0.692 211 V HN 0.305 nan 8.190 nan 0.000 0.468 212 V N 0.464 120.324 119.914 -0.090 0.000 2.513 212 V HA 0.335 4.455 4.120 -0.000 0.000 0.299 212 V C -0.214 175.694 176.094 -0.311 0.000 1.035 212 V CA -0.825 61.379 62.300 -0.161 0.000 0.889 212 V CB 1.797 33.532 31.823 -0.148 0.000 0.988 212 V HN 0.219 nan 8.190 nan 0.000 0.440 213 D N 3.588 123.702 120.400 -0.477 0.000 2.398 213 D HA 0.037 4.677 4.640 -0.000 0.000 0.250 213 D C 1.052 177.196 176.300 -0.258 0.000 1.287 213 D CA 0.223 53.824 54.000 -0.666 0.000 0.992 213 D CB 0.316 40.792 40.800 -0.539 0.000 1.071 213 D HN 0.477 nan 8.370 nan 0.000 0.514 214 N N 2.112 120.715 118.700 -0.161 0.000 2.149 214 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 214 N C 1.482 176.995 175.510 0.005 0.000 1.019 214 N CA 1.027 54.057 53.050 -0.032 0.000 0.857 214 N CB 0.103 38.626 38.487 0.060 0.000 0.997 214 N HN 0.480 nan 8.380 nan 0.000 0.426 215 Q N 0.086 119.887 119.800 0.003 0.000 2.083 215 Q HA 0.127 4.467 4.340 -0.000 0.000 0.198 215 Q C 2.071 178.080 176.000 0.014 0.000 0.969 215 Q CA 1.079 56.898 55.803 0.027 0.000 0.838 215 Q CB -0.484 28.279 28.738 0.041 0.000 0.900 215 Q HN 0.396 nan 8.270 nan 0.000 0.436 216 A N 1.202 124.015 122.820 -0.010 0.000 1.902 216 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 216 A C 2.163 179.742 177.584 -0.009 0.000 1.181 216 A CA 1.019 53.050 52.037 -0.010 0.000 0.623 216 A CB -0.808 18.177 19.000 -0.025 0.000 0.818 216 A HN 0.339 nan 8.150 nan 0.000 0.443 217 L N -0.763 120.446 121.223 -0.023 0.000 2.012 217 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 217 L C 2.845 179.724 176.870 0.015 0.000 1.073 217 L CA 2.131 56.964 54.840 -0.012 0.000 0.748 217 L CB -0.433 41.608 42.059 -0.029 0.000 0.891 217 L HN 0.558 nan 8.230 nan 0.000 0.431 218 R N -0.012 120.507 120.500 0.032 0.000 2.083 218 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 218 R C 2.352 178.675 176.300 0.037 0.000 1.137 218 R CA 1.838 57.968 56.100 0.050 0.000 0.951 218 R CB -0.182 30.158 30.300 0.066 0.000 0.851 218 R HN 0.347 nan 8.270 nan 0.000 0.434 219 R N 0.132 120.649 120.500 0.028 0.000 2.092 219 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 219 R C 2.468 178.780 176.300 0.020 0.000 1.119 219 R CA 1.320 57.434 56.100 0.023 0.000 0.970 219 R CB -0.336 29.977 30.300 0.021 0.000 0.864 219 R HN 0.261 nan 8.270 nan 0.000 0.440 220 L N 0.527 121.759 121.223 0.016 0.000 2.083 220 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 220 L C 2.241 179.121 176.870 0.017 0.000 1.083 220 L CA 1.266 56.114 54.840 0.014 0.000 0.752 220 L CB -0.256 41.808 42.059 0.008 0.000 0.899 220 L HN 0.195 nan 8.230 nan 0.000 0.433 221 L N -1.039 120.197 121.223 0.022 0.000 2.044 221 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 221 L C 2.453 179.338 176.870 0.026 0.000 1.075 221 L CA 1.070 55.925 54.840 0.026 0.000 0.747 221 L CB -0.439 41.640 42.059 0.033 0.000 0.903 221 L HN 0.201 nan 8.230 nan 0.000 0.435 222 E N 0.198 120.415 120.200 0.028 0.000 2.130 222 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 222 E C 2.114 178.726 176.600 0.020 0.000 0.998 222 E CA 1.107 57.522 56.400 0.025 0.000 0.806 222 E CB -0.301 29.415 29.700 0.026 0.000 0.738 222 E HN 0.550 nan 8.360 nan 0.000 0.459 223 G N -0.445 108.366 108.800 0.018 0.000 2.559 223 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.216 223 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.216 223 G C 1.001 175.910 174.900 0.014 0.000 1.126 223 G CA 0.497 45.606 45.100 0.015 0.000 0.778 223 G HN 0.447 nan 8.290 nan 0.000 0.543 224 G N -1.512 107.298 108.800 0.016 0.000 2.135 224 G HA2 0.215 4.175 3.960 -0.000 0.000 0.183 224 G HA3 0.215 4.175 3.960 -0.000 0.000 0.183 224 G C 0.353 175.263 174.900 0.016 0.000 1.004 224 G CA 0.077 45.186 45.100 0.016 0.000 0.677 224 G HN 1.263 nan 8.290 nan 0.000 0.512 225 A N 0.191 123.021 122.820 0.017 0.000 2.511 225 A HA 0.463 4.783 4.320 -0.000 0.000 0.242 225 A C 0.526 178.124 177.584 0.024 0.000 1.069 225 A CA 0.731 52.779 52.037 0.018 0.000 0.763 225 A CB 0.389 19.399 19.000 0.017 0.000 1.001 225 A HN 0.479 nan 8.150 nan 0.000 0.498 226 D N 2.560 122.975 120.400 0.025 0.000 2.494 226 D HA 0.473 5.113 4.640 -0.000 0.000 0.217 226 D C -0.613 175.720 176.300 0.054 0.000 1.153 226 D CA 0.348 54.369 54.000 0.035 0.000 0.954 226 D CB -0.567 40.250 40.800 0.029 0.000 1.034 226 D HN 0.406 nan 8.370 nan 0.000 0.518 227 L N 1.618 122.879 121.223 0.062 0.000 2.415 227 L HA 0.463 4.803 4.340 -0.000 0.000 0.256 227 L C -0.127 176.793 176.870 0.083 0.000 1.010 227 L CA -1.042 53.853 54.840 0.092 0.000 0.826 227 L CB 2.375 44.471 42.059 0.063 0.000 1.405 227 L HN -0.028 nan 8.230 nan 0.000 0.410 228 E N 1.758 122.029 120.200 0.118 0.000 2.158 228 E HA 0.557 4.907 4.350 -0.000 0.000 0.271 228 E C -1.266 175.320 176.600 -0.024 0.000 0.911 228 E CA -0.487 55.888 56.400 -0.043 0.000 0.767 228 E CB 2.736 32.228 29.700 -0.347 0.000 1.120 228 E HN 0.172 nan 8.360 nan 0.000 0.405 229 V N 1.333 121.218 119.914 -0.048 0.000 2.531 229 V HA 0.661 4.781 4.120 -0.000 0.000 0.301 229 V C -0.439 175.619 176.094 -0.060 0.000 1.034 229 V CA -0.943 61.334 62.300 -0.038 0.000 0.865 229 V CB 1.797 33.606 31.823 -0.024 0.000 0.995 229 V HN 0.734 nan 8.190 nan 0.000 0.424 230 A N 6.357 129.139 122.820 -0.064 0.000 2.291 230 A HA 0.893 5.213 4.320 -0.000 0.000 0.311 230 A C -0.946 176.589 177.584 -0.082 0.000 1.224 230 A CA -0.423 51.583 52.037 -0.053 0.000 0.821 230 A CB 0.621 19.587 19.000 -0.057 0.000 1.172 230 A HN 0.800 nan 8.150 nan 0.000 0.494 231 L N 2.368 123.484 121.223 -0.178 0.000 2.325 231 L HA 0.387 4.726 4.340 -0.000 0.000 0.281 231 L C 0.290 176.906 176.870 -0.423 0.000 1.004 231 L CA -0.452 54.110 54.840 -0.463 0.000 0.823 231 L CB 1.950 43.407 42.059 -1.003 0.000 1.236 231 L HN 0.859 nan 8.230 nan 0.000 0.415 232 D N 1.659 121.836 120.400 -0.373 0.000 2.392 232 D HA 0.056 4.696 4.640 -0.000 0.000 0.206 232 D C -0.001 176.046 176.300 -0.421 0.000 1.046 232 D CA 0.337 54.118 54.000 -0.365 0.000 0.865 232 D CB 0.822 41.245 40.800 -0.629 0.000 0.969 232 D HN 0.220 nan 8.370 nan 0.000 0.509 233 V N -1.723 117.813 119.914 -0.630 0.000 2.656 233 V HA 0.774 4.894 4.120 -0.000 0.000 0.307 233 V C -1.239 174.533 176.094 -0.537 0.000 1.051 233 V CA -0.962 61.054 62.300 -0.473 0.000 0.893 233 V CB 1.072 32.615 31.823 -0.466 0.000 0.999 233 V HN -0.006 nan 8.190 nan 0.000 0.426 234 W N 1.163 122.466 121.300 0.004 0.000 2.864 234 W HA 0.650 5.309 4.660 -0.000 0.000 0.343 234 W C 1.160 177.687 176.519 0.014 0.000 1.109 234 W CA -0.638 56.726 57.345 0.032 0.000 1.192 234 W CB 1.829 31.349 29.460 0.100 0.000 1.426 234 W HN 0.635 nan 8.180 nan 0.000 0.529 235 E N 0.862 121.203 120.200 0.236 0.000 2.150 235 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 235 E C 1.362 178.029 176.600 0.113 0.000 0.985 235 E CA 1.182 57.667 56.400 0.142 0.000 0.814 235 E CB 0.019 29.792 29.700 0.122 0.000 0.752 235 E HN 0.639 nan 8.360 nan 0.000 0.466 236 G N 1.171 110.033 108.800 0.103 0.000 4.044 236 G HA2 0.074 4.034 3.960 -0.000 0.000 0.297 236 G HA3 0.074 4.034 3.960 -0.000 0.000 0.297 236 G C -0.467 174.388 174.900 -0.074 0.000 1.101 236 G CA -0.393 44.718 45.100 0.019 0.000 0.884 236 G HN 0.024 nan 8.290 nan 0.000 0.538 237 E N 1.626 121.777 120.200 -0.081 0.000 2.568 237 E HA 0.022 4.371 4.350 -0.000 0.000 0.262 237 E C -1.258 175.166 176.600 -0.294 0.000 0.961 237 E CA -0.611 55.598 56.400 -0.318 0.000 0.945 237 E CB 1.295 30.936 29.700 -0.099 0.000 0.924 237 E HN 0.182 nan 8.360 nan 0.000 0.467 238 P HA -0.030 nan 4.420 nan 0.000 0.255 238 P C -0.342 176.478 177.300 -0.799 0.000 1.357 238 P CA 0.285 62.770 63.100 -1.025 0.000 0.839 238 P CB 0.318 31.759 31.700 -0.432 0.000 1.356 239 Q N 1.201 120.730 119.800 -0.451 0.000 2.730 239 Q HA 0.516 4.855 4.340 -0.000 0.000 0.244 239 Q C -0.463 175.413 176.000 -0.208 0.000 1.176 239 Q CA -0.473 55.178 55.803 -0.254 0.000 1.024 239 Q CB -0.093 28.563 28.738 -0.137 0.000 1.215 239 Q HN 0.124 nan 8.270 nan 0.000 0.542 240 A N 2.375 125.033 122.820 -0.271 0.000 2.462 240 A HA 0.176 4.496 4.320 -0.000 0.000 0.243 240 A C -0.126 177.366 177.584 -0.154 0.000 1.076 240 A CA -0.351 51.522 52.037 -0.273 0.000 0.773 240 A CB 0.286 18.827 19.000 -0.766 0.000 1.010 240 A HN 0.683 nan 8.150 nan 0.000 0.493 241 D N 2.657 123.065 120.400 0.014 0.000 2.363 241 D HA 0.185 4.825 4.640 -0.000 0.000 0.263 241 D C -1.633 174.683 176.300 0.026 0.000 1.258 241 D CA -1.605 52.433 54.000 0.064 0.000 0.907 241 D CB 0.974 41.879 40.800 0.176 0.000 1.107 241 D HN 0.152 nan 8.370 nan 0.000 0.495 242 P HA -0.047 nan 4.420 nan 0.000 0.225 242 P C 0.734 178.048 177.300 0.024 0.000 1.156 242 P CA 0.651 63.727 63.100 -0.040 0.000 0.787 242 P CB 0.381 32.041 31.700 -0.067 0.000 0.802 243 E N -0.552 119.677 120.200 0.047 0.000 2.230 243 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 243 E C 1.833 178.493 176.600 0.100 0.000 0.987 243 E CA 0.435 56.871 56.400 0.059 0.000 0.841 243 E CB -0.923 28.804 29.700 0.045 0.000 0.783 243 E HN 0.230 nan 8.360 nan 0.000 0.481 244 L N 1.392 122.705 121.223 0.151 0.000 2.072 244 L HA 0.091 4.431 4.340 -0.000 0.000 0.205 244 L C 2.262 179.313 176.870 0.301 0.000 1.079 244 L CA 1.755 56.725 54.840 0.218 0.000 0.752 244 L CB -0.726 41.505 42.059 0.286 0.000 0.906 244 L HN 0.041 nan 8.230 nan 0.000 0.436 245 A N -0.176 122.862 122.820 0.363 0.000 1.940 245 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 245 A C 2.407 180.149 177.584 0.264 0.000 1.176 245 A CA 1.737 54.034 52.037 0.434 0.000 0.631 245 A CB -1.196 17.970 19.000 0.278 0.000 0.814 245 A HN 0.569 nan 8.150 nan 0.000 0.446 246 A N -1.373 121.540 122.820 0.155 0.000 2.125 246 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 246 A C 2.054 179.694 177.584 0.092 0.000 1.156 246 A CA 1.697 53.794 52.037 0.099 0.000 0.671 246 A CB -0.253 18.783 19.000 0.059 0.000 0.794 246 A HN 0.353 nan 8.150 nan 0.000 0.459 247 R N -1.679 118.886 120.500 0.109 0.000 2.334 247 R HA 0.224 4.563 4.340 -0.000 0.000 0.212 247 R C -0.275 176.072 176.300 0.078 0.000 0.897 247 R CA 0.002 56.150 56.100 0.080 0.000 1.056 247 R CB -0.474 29.869 30.300 0.072 0.000 1.046 247 R HN 0.475 nan 8.270 nan 0.000 0.513 248 C N 0.458 119.829 119.300 0.118 0.000 2.463 248 C HA 0.214 4.674 4.460 -0.000 0.000 0.380 248 C C 2.219 177.247 174.990 0.064 0.000 1.264 248 C CA -0.894 58.179 59.018 0.092 0.000 2.161 248 C CB 0.425 28.255 27.740 0.150 0.000 2.515 248 C HN 0.432 nan 8.230 nan 0.000 0.565 249 L N 2.169 123.392 121.223 0.001 0.000 2.005 249 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 249 L C 0.396 177.257 176.870 -0.015 0.000 1.072 249 L CA 1.819 56.637 54.840 -0.036 0.000 0.744 249 L CB -0.046 41.942 42.059 -0.118 0.000 0.895 249 L HN 0.553 nan 8.230 nan 0.000 0.433 250 I N 0.277 120.836 120.570 -0.018 0.000 2.406 250 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 250 I C -0.201 175.980 176.117 0.108 0.000 0.999 250 I CA -0.257 61.049 61.300 0.010 0.000 1.124 250 I CB 1.275 39.214 38.000 -0.102 0.000 1.289 250 I HN 0.003 nan 8.210 nan 0.000 0.441 251 A N 5.104 128.047 122.820 0.204 0.000 2.385 251 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 251 A C -0.207 177.411 177.584 0.058 0.000 1.094 251 A CA -0.425 51.819 52.037 0.345 0.000 0.729 251 A CB 1.210 20.603 19.000 0.654 0.000 1.194 251 A HN 0.739 nan 8.150 nan 0.000 0.442 252 T N -0.123 114.346 114.554 -0.141 0.000 2.896 252 T HA 0.798 5.148 4.350 -0.000 0.000 0.297 252 T C -3.177 171.166 174.700 -0.595 0.000 1.108 252 T CA -2.028 59.840 62.100 -0.387 0.000 1.004 252 T CB 2.251 71.156 68.868 0.062 0.000 1.159 252 T HN 0.261 nan 8.240 nan 0.000 0.499 253 P HA 0.247 nan 4.420 nan 0.000 0.219 253 P C -0.073 176.976 177.300 -0.417 0.000 1.847 253 P CA 0.054 62.626 63.100 -0.880 0.000 1.059 253 P CB -1.221 29.748 31.700 -1.218 0.000 1.900 254 H N 2.125 121.067 119.070 -0.214 0.000 2.677 254 H HA -0.177 4.379 4.556 -0.000 0.000 0.321 254 H C 0.152 175.214 175.328 -0.444 0.000 1.171 254 H CA -0.092 55.843 56.048 -0.188 0.000 1.139 254 H CB -0.869 28.923 29.762 0.050 0.000 1.515 254 H HN 0.311 nan 8.280 nan 0.000 0.423 255 I N -3.165 117.175 120.570 -0.385 0.000 4.240 255 I HA 0.449 4.619 4.170 -0.000 0.000 0.331 255 I C 1.962 177.840 176.117 -0.400 0.000 1.381 255 I CA 0.433 61.324 61.300 -0.683 0.000 1.136 255 I CB -0.156 37.315 38.000 -0.883 0.000 1.137 255 I HN 0.247 nan 8.210 nan 0.000 0.411 256 A N 2.024 124.611 122.820 -0.389 0.000 1.903 256 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 256 A C 2.293 179.810 177.584 -0.113 0.000 1.191 256 A CA 2.265 54.073 52.037 -0.382 0.000 0.638 256 A CB -1.593 16.990 19.000 -0.694 0.000 0.823 256 A HN 0.561 nan 8.150 nan 0.000 0.451 257 G N -3.244 105.538 108.800 -0.029 0.000 2.744 257 G HA2 0.012 3.972 3.960 -0.000 0.000 0.211 257 G HA3 0.012 3.972 3.960 -0.000 0.000 0.211 257 G C 0.736 175.639 174.900 0.005 0.000 1.143 257 G CA 0.316 45.428 45.100 0.019 0.000 0.788 257 G HN 0.491 nan 8.290 nan 0.000 0.534 258 Y N 2.559 122.679 120.300 -0.299 0.000 2.550 258 Y HA 0.157 4.707 4.550 -0.000 0.000 0.351 258 Y C 1.720 177.511 175.900 -0.183 0.000 1.160 258 Y CA -0.933 56.952 58.100 -0.358 0.000 1.337 258 Y CB -0.870 37.103 38.460 -0.812 0.000 1.196 258 Y HN 0.166 nan 8.280 nan 0.000 0.498 259 S N -1.333 114.337 115.700 -0.051 0.000 2.579 259 S HA -0.015 4.455 4.470 -0.000 0.000 0.275 259 S C 1.494 176.066 174.600 -0.047 0.000 1.345 259 S CA -0.617 57.560 58.200 -0.038 0.000 1.031 259 S CB 0.880 64.041 63.200 -0.066 0.000 0.892 259 S HN 0.574 nan 8.310 nan 0.000 0.529 260 L N 0.977 122.172 121.223 -0.047 0.000 2.012 260 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 260 L C 2.555 179.390 176.870 -0.057 0.000 1.073 260 L CA 1.971 56.774 54.840 -0.062 0.000 0.748 260 L CB -0.552 41.444 42.059 -0.105 0.000 0.891 260 L HN 0.820 nan 8.230 nan 0.000 0.431 261 E N -0.251 119.917 120.200 -0.052 0.000 2.058 261 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 261 E C 2.022 178.601 176.600 -0.035 0.000 0.997 261 E CA 1.270 57.650 56.400 -0.033 0.000 0.801 261 E CB -0.673 29.012 29.700 -0.026 0.000 0.746 261 E HN 0.594 nan 8.360 nan 0.000 0.450 262 G N 0.778 109.546 108.800 -0.055 0.000 2.448 262 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 262 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 262 G C 1.351 176.195 174.900 -0.094 0.000 1.127 262 G CA 0.650 45.709 45.100 -0.069 0.000 0.766 262 G HN 0.141 nan 8.290 nan 0.000 0.552 263 K N -0.920 119.412 120.400 -0.112 0.000 2.305 263 K HA 0.167 4.487 4.320 -0.000 0.000 0.199 263 K C 1.780 178.346 176.600 -0.055 0.000 1.047 263 K CA 0.179 56.389 56.287 -0.128 0.000 0.976 263 K CB 0.084 32.487 32.500 -0.161 0.000 0.765 263 K HN 0.191 nan 8.250 nan 0.000 0.474 264 L N 0.065 121.278 121.223 -0.018 0.000 2.515 264 L HA 0.139 4.478 4.340 -0.000 0.000 0.223 264 L C 2.042 178.942 176.870 0.050 0.000 1.079 264 L CA 0.859 55.724 54.840 0.042 0.000 0.857 264 L CB -0.205 41.891 42.059 0.062 0.000 1.050 264 L HN -0.030 nan 8.230 nan 0.000 0.476 265 R N -0.163 120.345 120.500 0.014 0.000 2.120 265 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 265 R C 2.118 178.406 176.300 -0.021 0.000 1.123 265 R CA 1.335 57.437 56.100 0.003 0.000 0.975 265 R CB -0.377 29.922 30.300 -0.003 0.000 0.866 265 R HN 0.406 nan 8.270 nan 0.000 0.446 266 G N -0.379 108.411 108.800 -0.017 0.000 2.491 266 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 266 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 266 G C 1.298 176.189 174.900 -0.014 0.000 1.180 266 G CA 1.427 46.521 45.100 -0.010 0.000 0.774 266 G HN 0.355 nan 8.290 nan 0.000 0.562 267 T N 1.723 116.265 114.554 -0.020 0.000 2.746 267 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 267 T C 2.794 177.272 174.700 -0.369 0.000 1.039 267 T CA 1.636 63.707 62.100 -0.049 0.000 1.142 267 T CB -0.422 68.491 68.868 0.075 0.000 0.866 267 T HN 0.402 nan 8.240 nan 0.000 0.444 268 A N 1.447 123.968 122.820 -0.497 0.000 1.902 268 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 268 A C 2.322 179.735 177.584 -0.284 0.000 1.181 268 A CA 1.484 53.078 52.037 -0.740 0.000 0.623 268 A CB -0.634 18.227 19.000 -0.231 0.000 0.818 268 A HN 0.537 nan 8.150 nan 0.000 0.443 269 Q N -0.761 118.973 119.800 -0.109 0.000 2.119 269 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 269 Q C 2.038 178.071 176.000 0.056 0.000 0.972 269 Q CA 1.283 57.080 55.803 -0.009 0.000 0.847 269 Q CB -0.259 28.486 28.738 0.012 0.000 0.903 269 Q HN 0.751 nan 8.270 nan 0.000 0.433 270 I N -0.288 120.336 120.570 0.090 0.000 2.179 270 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 270 I C 2.260 178.570 176.117 0.322 0.000 1.088 270 I CA 1.202 62.650 61.300 0.247 0.000 1.357 270 I CB -0.326 37.836 38.000 0.271 0.000 1.051 270 I HN 0.197 nan 8.210 nan 0.000 0.409 271 Y N 1.724 122.040 120.300 0.025 0.000 2.207 271 Y HA -0.307 4.243 4.550 -0.000 0.000 0.287 271 Y C 2.565 178.454 175.900 -0.019 0.000 1.156 271 Y CA 1.716 59.730 58.100 -0.145 0.000 1.182 271 Y CB -0.290 37.748 38.460 -0.703 0.000 0.979 271 Y HN 0.211 nan 8.280 nan 0.000 0.521 272 Q N -0.543 119.227 119.800 -0.050 0.000 2.079 272 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 272 Q C 2.526 178.504 176.000 -0.037 0.000 0.974 272 Q CA 1.240 56.995 55.803 -0.081 0.000 0.840 272 Q CB -0.298 28.441 28.738 0.002 0.000 0.898 272 Q HN 0.603 nan 8.270 nan 0.000 0.430 273 A N 0.155 123.022 122.820 0.078 0.000 1.930 273 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 273 A C 1.868 179.574 177.584 0.203 0.000 1.175 273 A CA 1.084 53.212 52.037 0.152 0.000 0.627 273 A CB -0.782 18.354 19.000 0.226 0.000 0.815 273 A HN 0.528 nan 8.150 nan 0.000 0.443 274 Y N -0.107 120.186 120.300 -0.011 0.000 2.224 274 Y HA -0.276 4.274 4.550 -0.000 0.000 0.289 274 Y C 2.398 178.208 175.900 -0.150 0.000 1.146 274 Y CA 1.714 59.646 58.100 -0.280 0.000 1.182 274 Y CB -0.535 37.676 38.460 -0.415 0.000 0.983 274 Y HN 0.364 nan 8.280 nan 0.000 0.524 275 C N 0.113 119.267 119.300 -0.242 0.000 2.466 275 C HA 0.003 4.463 4.460 -0.000 0.000 0.278 275 C C 3.051 177.904 174.990 -0.230 0.000 1.288 275 C CA 1.024 59.845 59.018 -0.328 0.000 1.722 275 C CB -1.582 25.929 27.740 -0.382 0.000 2.017 275 C HN 0.741 nan 8.230 nan 0.000 0.488 276 A N -0.537 122.211 122.820 -0.121 0.000 1.933 276 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 276 A C 1.903 179.464 177.584 -0.039 0.000 1.175 276 A CA 1.679 53.676 52.037 -0.067 0.000 0.628 276 A CB -0.862 18.126 19.000 -0.020 0.000 0.814 276 A HN 0.802 nan 8.150 nan 0.000 0.444 277 W N 0.717 121.895 121.300 -0.203 0.000 2.408 277 W HA -0.076 4.584 4.660 -0.000 0.000 0.311 277 W C 1.927 178.299 176.519 -0.246 0.000 1.190 277 W CA 1.540 58.769 57.345 -0.192 0.000 1.321 277 W CB -0.165 29.222 29.460 -0.121 0.000 1.143 277 W HN 0.105 nan 8.180 nan 0.000 0.501 278 R N 0.694 120.748 120.500 -0.743 0.000 2.280 278 R HA 0.061 4.401 4.340 -0.000 0.000 0.207 278 R C 1.485 177.475 176.300 -0.517 0.000 1.043 278 R CA 1.137 56.681 56.100 -0.927 0.000 1.006 278 R CB -1.224 28.517 30.300 -0.931 0.000 0.885 278 R HN 0.419 nan 8.270 nan 0.000 0.467 279 G N 2.404 110.993 108.800 -0.352 0.000 2.273 279 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 279 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 279 G C 0.149 174.929 174.900 -0.200 0.000 1.047 279 G CA 0.746 45.708 45.100 -0.229 0.000 0.869 279 G HN 0.503 nan 8.290 nan 0.000 0.502 280 I N -2.805 117.637 120.570 -0.214 0.000 2.693 280 I HA 0.920 5.090 4.170 -0.000 0.000 0.303 280 I C 0.459 176.503 176.117 -0.123 0.000 1.025 280 I CA -1.083 60.122 61.300 -0.158 0.000 1.086 280 I CB 2.006 39.912 38.000 -0.157 0.000 1.268 280 I HN 0.456 nan 8.210 nan 0.000 0.440 281 A N 3.717 126.492 122.820 -0.075 0.000 2.445 281 A HA 0.273 4.593 4.320 -0.000 0.000 0.242 281 A C 0.067 177.638 177.584 -0.021 0.000 1.075 281 A CA -0.275 51.736 52.037 -0.044 0.000 0.777 281 A CB -0.054 18.934 19.000 -0.020 0.000 1.013 281 A HN 0.841 nan 8.150 nan 0.000 0.493 282 E N 0.412 120.617 120.200 0.008 0.000 2.324 282 E HA 0.148 4.498 4.350 -0.000 0.000 0.271 282 E C 0.602 177.304 176.600 0.170 0.000 1.028 282 E CA -0.012 56.457 56.400 0.114 0.000 0.890 282 E CB 0.723 30.515 29.700 0.155 0.000 1.004 282 E HN 0.599 nan 8.360 nan 0.000 0.431 283 R N 1.625 122.286 120.500 0.268 0.000 2.223 283 R HA 0.105 4.445 4.340 -0.000 0.000 0.198 283 R C 0.231 176.573 176.300 0.071 0.000 0.984 283 R CA 0.167 56.352 56.100 0.142 0.000 1.018 283 R CB 0.793 31.165 30.300 0.120 0.000 0.945 283 R HN 0.328 nan 8.270 nan 0.000 0.479 284 V N 0.525 120.494 119.914 0.092 0.000 2.760 284 V HA 0.508 4.627 4.120 -0.000 0.000 0.309 284 V C -0.804 175.360 176.094 0.115 0.000 1.077 284 V CA -0.715 61.539 62.300 -0.077 0.000 0.910 284 V CB 2.114 33.698 31.823 -0.398 0.000 1.008 284 V HN 0.234 nan 8.190 nan 0.000 0.424 285 S N 5.994 121.736 115.700 0.070 0.000 2.718 285 S HA 0.515 4.984 4.470 -0.000 0.000 0.300 285 S C 0.967 175.690 174.600 0.205 0.000 1.117 285 S CA -0.497 57.815 58.200 0.188 0.000 1.002 285 S CB 1.648 64.906 63.200 0.097 0.000 1.092 285 S HN 1.013 nan 8.310 nan 0.000 0.542 286 L N 0.725 122.099 121.223 0.251 0.000 2.012 286 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 286 L C 3.012 179.929 176.870 0.079 0.000 1.073 286 L CA 2.146 57.112 54.840 0.210 0.000 0.748 286 L CB -0.646 41.495 42.059 0.136 0.000 0.891 286 L HN 1.005 nan 8.230 nan 0.000 0.431 287 Q N -0.113 119.716 119.800 0.049 0.000 2.062 287 Q HA -0.306 4.033 4.340 -0.000 0.000 0.209 287 Q C 1.683 177.672 176.000 -0.018 0.000 0.996 287 Q CA 2.464 58.276 55.803 0.014 0.000 0.859 287 Q CB -0.102 28.645 28.738 0.016 0.000 0.920 287 Q HN 0.516 nan 8.270 nan 0.000 0.415 288 D N -0.528 119.847 120.400 -0.041 0.000 2.172 288 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 288 D C 1.803 178.027 176.300 -0.127 0.000 0.999 288 D CA 1.337 55.281 54.000 -0.093 0.000 0.856 288 D CB -0.013 40.702 40.800 -0.143 0.000 0.934 288 D HN 0.182 nan 8.370 nan 0.000 0.453 289 V N 0.168 119.994 119.914 -0.147 0.000 3.125 289 V HA 0.042 4.161 4.120 -0.000 0.000 0.249 289 V C 1.179 177.228 176.094 -0.075 0.000 1.113 289 V CA 0.067 62.268 62.300 -0.166 0.000 1.106 289 V CB 0.176 31.833 31.823 -0.276 0.000 0.768 289 V HN 0.090 nan 8.190 nan 0.000 0.468 290 L N 3.087 124.288 121.223 -0.038 0.000 2.453 290 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 290 L C -1.654 175.200 176.870 -0.027 0.000 1.182 290 L CA -1.293 53.532 54.840 -0.025 0.000 0.858 290 L CB 0.251 42.301 42.059 -0.015 0.000 1.120 290 L HN 0.172 nan 8.230 nan 0.000 0.474 291 P HA 0.010 nan 4.420 nan 0.000 0.272 291 P C -0.466 176.832 177.300 -0.003 0.000 1.230 291 P CA -0.449 62.646 63.100 -0.008 0.000 0.788 291 P CB 0.525 32.223 31.700 -0.004 0.000 0.949 292 E N 0.060 120.278 120.200 0.029 0.000 2.502 292 E HA -0.011 4.338 4.350 -0.000 0.000 0.261 292 E C 0.122 176.755 176.600 0.055 0.000 0.974 292 E CA 0.327 56.756 56.400 0.048 0.000 0.936 292 E CB 0.365 30.111 29.700 0.077 0.000 0.926 292 E HN 0.342 nan 8.360 nan 0.000 0.459 293 T N 3.493 118.070 114.554 0.038 0.000 2.900 293 T HA -0.053 4.297 4.350 -0.000 0.000 0.307 293 T C 0.667 175.480 174.700 0.189 0.000 1.065 293 T CA -0.339 61.775 62.100 0.024 0.000 1.105 293 T CB 0.283 69.162 68.868 0.018 0.000 0.979 293 T HN 0.493 nan 8.240 nan 0.000 0.544 294 W N 2.551 123.860 121.300 0.015 0.000 2.407 294 W HA 0.175 4.835 4.660 -0.000 0.000 0.305 294 W C 0.802 177.331 176.519 0.016 0.000 1.196 294 W CA -0.045 57.308 57.345 0.014 0.000 1.311 294 W CB -0.985 28.483 29.460 0.015 0.000 1.135 294 W HN 0.364 nan 8.180 nan 0.000 0.514 295 L N 0.845 122.217 121.223 0.247 0.000 2.272 295 L HA 0.498 4.837 4.340 -0.000 0.000 0.284 295 L C 1.132 178.062 176.870 0.101 0.000 1.045 295 L CA -0.354 54.575 54.840 0.148 0.000 0.842 295 L CB 0.646 42.782 42.059 0.127 0.000 1.224 295 L HN -0.026 nan 8.230 nan 0.000 0.430 296 A N 3.775 126.647 122.820 0.087 0.000 1.858 296 A HA 0.448 4.767 4.320 -0.000 0.000 0.216 296 A C 1.071 178.686 177.584 0.051 0.000 1.190 296 A CA 1.344 53.419 52.037 0.063 0.000 0.617 296 A CB -0.695 18.338 19.000 0.055 0.000 0.827 296 A HN 0.859 nan 8.150 nan 0.000 0.443 297 G N -2.755 106.076 108.800 0.052 0.000 2.488 297 G HA2 0.504 4.464 3.960 -0.000 0.000 0.301 297 G HA3 0.504 4.464 3.960 -0.000 0.000 0.301 297 G C -1.673 173.256 174.900 0.048 0.000 1.339 297 G CA 0.003 45.130 45.100 0.045 0.000 0.803 297 G HN 0.964 nan 8.290 nan 0.000 0.482 298 L N -0.528 120.724 121.223 0.047 0.000 2.505 298 L HA 0.762 5.101 4.340 -0.000 0.000 0.259 298 L C -1.090 175.813 176.870 0.055 0.000 0.952 298 L CA -0.705 54.167 54.840 0.054 0.000 0.840 298 L CB 2.364 44.456 42.059 0.056 0.000 1.358 298 L HN 0.712 nan 8.230 nan 0.000 0.409 299 Q N 4.374 124.210 119.800 0.060 0.000 2.322 299 Q HA 0.580 4.920 4.340 -0.000 0.000 0.265 299 Q C -1.883 174.162 176.000 0.075 0.000 0.985 299 Q CA -0.714 55.123 55.803 0.057 0.000 0.849 299 Q CB 1.708 30.473 28.738 0.045 0.000 1.274 299 Q HN 0.725 nan 8.270 nan 0.000 0.449 300 L N 3.202 124.471 121.223 0.076 0.000 2.322 300 L HA 0.472 4.812 4.340 -0.000 0.000 0.279 300 L C 0.000 176.903 176.870 0.055 0.000 1.036 300 L CA -1.046 53.847 54.840 0.089 0.000 0.807 300 L CB 1.334 43.459 42.059 0.109 0.000 1.226 300 L HN 0.607 nan 8.230 nan 0.000 0.433 301 N N 3.086 121.809 118.700 0.039 0.000 2.513 301 N HA 0.208 4.948 4.740 -0.000 0.000 0.274 301 N C -1.636 173.884 175.510 0.016 0.000 1.189 301 N CA -1.584 51.476 53.050 0.017 0.000 0.975 301 N CB 1.083 39.569 38.487 -0.003 0.000 1.157 301 N HN 0.374 nan 8.380 nan 0.000 0.465 302 P HA -0.060 nan 4.420 nan 0.000 0.225 302 P C 0.943 178.247 177.300 0.007 0.000 1.148 302 P CA 0.854 63.962 63.100 0.014 0.000 0.779 302 P CB 0.127 31.833 31.700 0.010 0.000 0.780 303 G N -0.477 108.318 108.800 -0.008 0.000 2.744 303 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.211 303 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.211 303 G C 0.470 175.353 174.900 -0.029 0.000 1.143 303 G CA -0.208 44.880 45.100 -0.021 0.000 0.788 303 G HN 0.376 nan 8.290 nan 0.000 0.534 304 C N 1.828 121.117 119.300 -0.018 0.000 2.590 304 C HA 0.197 4.657 4.460 -0.000 0.000 0.411 304 C C 0.770 175.786 174.990 0.043 0.000 1.420 304 C CA -1.085 57.926 59.018 -0.012 0.000 1.643 304 C CB -0.842 26.938 27.740 0.066 0.000 2.528 304 C HN 0.561 nan 8.230 nan 0.000 0.606 305 D N 6.590 127.011 120.400 0.035 0.000 2.487 305 D HA 0.119 4.759 4.640 -0.000 0.000 0.243 305 D C -1.389 175.026 176.300 0.191 0.000 1.154 305 D CA -0.783 53.280 54.000 0.105 0.000 0.876 305 D CB 0.978 41.845 40.800 0.111 0.000 1.161 305 D HN 0.406 nan 8.370 nan 0.000 0.478 306 P HA -0.153 nan 4.420 nan 0.000 0.215 306 P C 0.836 178.247 177.300 0.185 0.000 1.153 306 P CA 1.613 64.804 63.100 0.152 0.000 0.853 306 P CB 0.078 31.851 31.700 0.121 0.000 0.788 307 A N -1.777 121.167 122.820 0.207 0.000 1.898 307 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 307 A C 2.211 179.923 177.584 0.213 0.000 1.181 307 A CA 1.243 53.410 52.037 0.216 0.000 0.620 307 A CB -1.896 17.223 19.000 0.199 0.000 0.819 307 A HN 0.233 nan 8.150 nan 0.000 0.442 308 W N 0.595 121.936 121.300 0.068 0.000 2.355 308 W HA -0.144 4.515 4.660 -0.000 0.000 0.309 308 W C 2.519 179.067 176.519 0.049 0.000 1.206 308 W CA 2.355 59.732 57.345 0.052 0.000 1.284 308 W CB -0.114 29.370 29.460 0.040 0.000 1.145 308 W HN 0.375 nan 8.180 nan 0.000 0.502 309 A N 0.549 123.590 122.820 0.370 0.000 1.865 309 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 309 A C 2.070 179.675 177.584 0.035 0.000 1.191 309 A CA 1.786 53.949 52.037 0.211 0.000 0.623 309 A CB -1.411 17.713 19.000 0.206 0.000 0.826 309 A HN 0.422 nan 8.150 nan 0.000 0.444 310 L N -0.328 120.928 121.223 0.055 0.000 1.997 310 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 310 L C 2.697 179.548 176.870 -0.032 0.000 1.074 310 L CA 2.853 57.709 54.840 0.025 0.000 0.763 310 L CB -1.342 40.770 42.059 0.089 0.000 0.890 310 L HN 0.435 nan 8.230 nan 0.000 0.434 311 A N -1.198 121.573 122.820 -0.081 0.000 1.898 311 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 311 A C 2.186 179.628 177.584 -0.237 0.000 1.181 311 A CA 2.082 54.030 52.037 -0.148 0.000 0.620 311 A CB -0.943 17.945 19.000 -0.186 0.000 0.819 311 A HN 0.537 nan 8.150 nan 0.000 0.442 312 T N 0.649 114.971 114.554 -0.387 0.000 2.708 312 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 312 T C 1.840 176.429 174.700 -0.184 0.000 1.037 312 T CA 1.469 63.317 62.100 -0.420 0.000 1.146 312 T CB -0.414 68.025 68.868 -0.715 0.000 0.865 312 T HN 0.355 nan 8.240 nan 0.000 0.435 313 L N 0.461 121.619 121.223 -0.109 0.000 1.989 313 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 313 L C 2.980 179.835 176.870 -0.026 0.000 1.071 313 L CA 1.227 56.043 54.840 -0.039 0.000 0.749 313 L CB -0.770 41.282 42.059 -0.013 0.000 0.890 313 L HN 0.393 nan 8.230 nan 0.000 0.431 314 C N -0.443 118.837 119.300 -0.033 0.000 2.432 314 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 314 C C 2.896 177.878 174.990 -0.013 0.000 1.249 314 C CA 0.625 59.638 59.018 -0.008 0.000 1.725 314 C CB -1.036 26.696 27.740 -0.013 0.000 2.028 314 C HN 0.427 nan 8.230 nan 0.000 0.477 315 R N 0.965 121.428 120.500 -0.062 0.000 2.115 315 R HA -0.020 4.319 4.340 -0.000 0.000 0.226 315 R C 2.384 178.667 176.300 -0.028 0.000 1.100 315 R CA 1.250 57.306 56.100 -0.074 0.000 0.980 315 R CB -0.413 29.816 30.300 -0.117 0.000 0.875 315 R HN 0.545 nan 8.270 nan 0.000 0.445 316 A N 0.568 123.374 122.820 -0.023 0.000 1.940 316 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 316 A C 2.232 179.852 177.584 0.061 0.000 1.176 316 A CA 1.584 53.630 52.037 0.016 0.000 0.631 316 A CB -0.373 18.633 19.000 0.011 0.000 0.814 316 A HN 0.125 nan 8.150 nan 0.000 0.446 317 V N -2.982 116.975 119.914 0.071 0.000 2.379 317 V HA 0.052 4.172 4.120 -0.000 0.000 0.243 317 V C 0.760 176.975 176.094 0.200 0.000 1.035 317 V CA 1.516 63.883 62.300 0.111 0.000 1.035 317 V CB -0.447 31.433 31.823 0.096 0.000 0.673 317 V HN 0.612 nan 8.190 nan 0.000 0.457 318 Y N 0.398 120.712 120.300 0.023 0.000 2.348 318 Y HA 0.517 5.067 4.550 -0.000 0.000 0.321 318 Y C -1.844 174.065 175.900 0.016 0.000 1.163 318 Y CA -1.967 56.155 58.100 0.036 0.000 1.070 318 Y CB 1.372 39.871 38.460 0.066 0.000 1.250 318 Y HN 0.109 nan 8.280 nan 0.000 0.425 319 D N 8.550 128.699 120.400 -0.419 0.000 2.440 319 D HA 0.402 5.042 4.640 -0.000 0.000 0.239 319 D C -2.119 173.760 176.300 -0.702 0.000 1.084 319 D CA -2.329 51.368 54.000 -0.505 0.000 0.843 319 D CB 2.623 43.288 40.800 -0.226 0.000 1.097 319 D HN 0.334 nan 8.370 nan 0.000 0.531 320 P HA -0.053 nan 4.420 nan 0.000 0.230 320 P C 1.138 178.330 177.300 -0.180 0.000 1.158 320 P CA 0.343 63.134 63.100 -0.515 0.000 0.769 320 P CB 0.478 31.854 31.700 -0.541 0.000 0.807 321 R N 0.602 120.984 120.500 -0.197 0.000 2.127 321 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 321 R C 2.557 178.845 176.300 -0.020 0.000 1.134 321 R CA 1.933 57.978 56.100 -0.091 0.000 0.975 321 R CB -0.719 29.521 30.300 -0.100 0.000 0.865 321 R HN 0.372 nan 8.270 nan 0.000 0.447 322 S N 0.743 116.433 115.700 -0.016 0.000 2.368 322 S HA -0.124 4.345 4.470 -0.000 0.000 0.224 322 S C 1.395 176.055 174.600 0.099 0.000 1.029 322 S CA 1.188 59.414 58.200 0.043 0.000 0.988 322 S CB -0.099 63.133 63.200 0.053 0.000 0.838 322 S HN 0.184 nan 8.310 nan 0.000 0.462 323 D N 1.747 122.241 120.400 0.157 0.000 2.149 323 D HA -0.080 4.559 4.640 -0.000 0.000 0.201 323 D C 1.760 178.182 176.300 0.205 0.000 0.972 323 D CA 1.100 55.237 54.000 0.229 0.000 0.835 323 D CB -0.583 40.442 40.800 0.375 0.000 0.966 323 D HN 0.523 nan 8.370 nan 0.000 0.476 324 D N 0.889 121.386 120.400 0.161 0.000 2.123 324 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 324 D C 1.892 178.302 176.300 0.184 0.000 0.992 324 D CA 1.346 55.453 54.000 0.179 0.000 0.833 324 D CB 0.240 41.100 40.800 0.100 0.000 0.954 324 D HN 0.082 nan 8.370 nan 0.000 0.455 325 A N 1.032 123.922 122.820 0.118 0.000 1.898 325 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 325 A C 2.461 180.100 177.584 0.091 0.000 1.181 325 A CA 2.146 54.234 52.037 0.086 0.000 0.620 325 A CB -0.781 18.251 19.000 0.053 0.000 0.819 325 A HN 0.358 nan 8.150 nan 0.000 0.442 326 A N -1.439 121.449 122.820 0.114 0.000 1.930 326 A HA -0.019 4.300 4.320 -0.000 0.000 0.217 326 A C 2.010 179.673 177.584 0.131 0.000 1.175 326 A CA 1.539 53.639 52.037 0.106 0.000 0.627 326 A CB -0.657 18.412 19.000 0.115 0.000 0.815 326 A HN 0.601 nan 8.150 nan 0.000 0.443 327 F N 0.925 120.888 119.950 0.021 0.000 2.146 327 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 327 F C 2.387 178.183 175.800 -0.007 0.000 1.096 327 F CA 1.467 59.463 58.000 -0.006 0.000 1.275 327 F CB -0.066 38.943 39.000 0.015 0.000 1.008 327 F HN 0.088 nan 8.300 nan 0.000 0.480 328 R N 0.445 120.952 120.500 0.013 0.000 2.091 328 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 328 R C 2.250 178.473 176.300 -0.129 0.000 1.136 328 R CA 1.402 57.454 56.100 -0.081 0.000 0.959 328 R CB -1.007 29.301 30.300 0.013 0.000 0.856 328 R HN 0.355 nan 8.270 nan 0.000 0.437 329 R N 0.866 121.321 120.500 -0.075 0.000 2.120 329 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 329 R C 2.301 178.538 176.300 -0.106 0.000 1.123 329 R CA 1.575 57.635 56.100 -0.067 0.000 0.975 329 R CB -0.296 29.989 30.300 -0.025 0.000 0.866 329 R HN 0.309 nan 8.270 nan 0.000 0.446 330 S N 0.424 116.026 115.700 -0.164 0.000 2.547 330 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 330 S C 1.514 175.964 174.600 -0.251 0.000 0.980 330 S CA 0.648 58.737 58.200 -0.185 0.000 0.941 330 S CB -0.052 63.031 63.200 -0.195 0.000 0.763 330 S HN 0.249 nan 8.310 nan 0.000 0.532 331 L N 1.981 123.020 121.223 -0.305 0.000 2.741 331 L HA 0.229 4.569 4.340 -0.000 0.000 0.237 331 L C 2.156 178.931 176.870 -0.157 0.000 1.178 331 L CA 0.451 55.122 54.840 -0.281 0.000 0.973 331 L CB -0.171 41.664 42.059 -0.373 0.000 1.255 331 L HN 0.502 nan 8.230 nan 0.000 0.498 332 T N -3.836 110.649 114.554 -0.115 0.000 3.009 332 T HA 0.116 4.466 4.350 -0.000 0.000 0.258 332 T C 1.198 175.863 174.700 -0.057 0.000 1.063 332 T CA 0.519 62.574 62.100 -0.074 0.000 1.139 332 T CB 0.074 68.909 68.868 -0.056 0.000 0.890 332 T HN 0.236 nan 8.240 nan 0.000 0.471 333 G N 1.970 110.737 108.800 -0.056 0.000 2.509 333 G HA2 0.475 4.434 3.960 -0.000 0.000 0.269 333 G HA3 0.475 4.434 3.960 -0.000 0.000 0.269 333 G C -0.615 174.261 174.900 -0.041 0.000 1.416 333 G CA -0.246 44.829 45.100 -0.041 0.000 1.052 333 G HN 0.588 nan 8.290 nan 0.000 0.542 334 D N -1.713 118.669 120.400 -0.031 0.000 2.383 334 D HA 0.259 4.899 4.640 -0.000 0.000 0.248 334 D C 1.548 177.828 176.300 -0.034 0.000 1.170 334 D CA 0.080 54.062 54.000 -0.029 0.000 0.977 334 D CB 0.688 41.475 40.800 -0.021 0.000 1.120 334 D HN 0.134 nan 8.370 nan 0.000 0.481 335 S N 0.173 115.853 115.700 -0.033 0.000 2.378 335 S HA -0.303 4.167 4.470 -0.000 0.000 0.229 335 S C 2.008 176.588 174.600 -0.034 0.000 1.052 335 S CA 1.851 60.029 58.200 -0.038 0.000 1.084 335 S CB -0.915 62.266 63.200 -0.032 0.000 0.950 335 S HN 0.703 nan 8.310 nan 0.000 0.440 336 A N 1.299 124.104 122.820 -0.024 0.000 1.933 336 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 336 A C 2.477 180.054 177.584 -0.011 0.000 1.175 336 A CA 2.168 54.195 52.037 -0.017 0.000 0.628 336 A CB -1.268 17.725 19.000 -0.011 0.000 0.814 336 A HN 0.697 nan 8.150 nan 0.000 0.444 337 T N -2.449 112.097 114.554 -0.014 0.000 2.851 337 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 337 T C 1.952 176.647 174.700 -0.009 0.000 1.043 337 T CA 0.911 63.007 62.100 -0.008 0.000 1.140 337 T CB -0.368 68.493 68.868 -0.012 0.000 0.872 337 T HN 0.500 nan 8.240 nan 0.000 0.446 338 R N 1.011 121.493 120.500 -0.029 0.000 2.091 338 R HA 0.003 4.342 4.340 -0.000 0.000 0.238 338 R C 2.962 179.270 176.300 0.012 0.000 1.136 338 R CA 1.476 57.551 56.100 -0.041 0.000 0.959 338 R CB -0.342 29.909 30.300 -0.082 0.000 0.856 338 R HN 0.436 nan 8.270 nan 0.000 0.437 339 R N 0.342 120.839 120.500 -0.006 0.000 2.070 339 R HA -0.102 4.238 4.340 -0.000 0.000 0.233 339 R C 2.399 178.740 176.300 0.069 0.000 1.137 339 R CA 1.540 57.638 56.100 -0.003 0.000 0.945 339 R CB -0.436 29.840 30.300 -0.040 0.000 0.845 339 R HN 0.229 nan 8.270 nan 0.000 0.430 340 A N 1.061 123.912 122.820 0.051 0.000 1.933 340 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 340 A C 2.338 179.981 177.584 0.099 0.000 1.175 340 A CA 1.641 53.718 52.037 0.067 0.000 0.628 340 A CB -0.515 18.511 19.000 0.044 0.000 0.814 340 A HN 0.419 nan 8.150 nan 0.000 0.444 341 A N -1.255 121.618 122.820 0.088 0.000 1.898 341 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 341 A C 2.030 179.698 177.584 0.139 0.000 1.181 341 A CA 1.382 53.471 52.037 0.087 0.000 0.620 341 A CB -0.721 18.297 19.000 0.029 0.000 0.819 341 A HN 0.618 nan 8.150 nan 0.000 0.442 342 F N 1.149 121.111 119.950 0.021 0.000 2.065 342 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 342 F C 1.927 177.766 175.800 0.066 0.000 1.112 342 F CA 2.333 60.381 58.000 0.080 0.000 1.212 342 F CB -0.029 39.006 39.000 0.059 0.000 0.975 342 F HN 0.245 nan 8.300 nan 0.000 0.476 343 D N 0.194 120.810 120.400 0.361 0.000 2.178 343 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 343 D C 2.287 178.639 176.300 0.086 0.000 0.974 343 D CA 1.236 55.366 54.000 0.215 0.000 0.841 343 D CB -0.483 40.413 40.800 0.159 0.000 0.953 343 D HN 0.406 nan 8.370 nan 0.000 0.478 344 A N 0.790 123.667 122.820 0.096 0.000 1.930 344 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 344 A C 2.368 180.021 177.584 0.114 0.000 1.175 344 A CA 0.632 52.727 52.037 0.097 0.000 0.627 344 A CB -0.647 18.465 19.000 0.187 0.000 0.815 344 A HN 0.177 nan 8.150 nan 0.000 0.443 345 L N -0.903 120.377 121.223 0.095 0.000 2.083 345 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 345 L C 2.879 179.793 176.870 0.073 0.000 1.083 345 L CA 1.487 56.384 54.840 0.095 0.000 0.752 345 L CB -0.449 41.641 42.059 0.051 0.000 0.899 345 L HN 0.402 nan 8.230 nan 0.000 0.433 346 R N -0.172 120.303 120.500 -0.043 0.000 2.073 346 R HA -0.153 4.186 4.340 -0.000 0.000 0.229 346 R C 2.279 178.628 176.300 0.082 0.000 1.120 346 R CA 0.993 57.019 56.100 -0.123 0.000 0.967 346 R CB -0.240 29.946 30.300 -0.190 0.000 0.862 346 R HN 0.262 nan 8.270 nan 0.000 0.436 347 K N 0.237 120.625 120.400 -0.020 0.000 2.103 347 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 347 K C 0.906 177.399 176.600 -0.179 0.000 1.052 347 K CA 1.085 57.285 56.287 -0.145 0.000 0.945 347 K CB 0.210 32.490 32.500 -0.366 0.000 0.722 347 K HN 0.300 nan 8.250 nan 0.000 0.443 348 H N -1.086 118.071 119.070 0.144 0.000 2.505 348 H HA 0.003 4.558 4.556 -0.000 0.000 0.289 348 H C -0.731 174.681 175.328 0.140 0.000 1.052 348 H CA -0.463 55.657 56.048 0.120 0.000 1.156 348 H CB -0.608 29.202 29.762 0.079 0.000 1.507 348 H HN 0.126 nan 8.280 nan 0.000 0.548 349 Y N 4.984 125.369 120.300 0.142 0.000 2.805 349 Y HA -0.004 4.546 4.550 -0.000 0.000 0.331 349 Y C -1.689 174.281 175.900 0.116 0.000 1.241 349 Y CA -1.757 56.418 58.100 0.124 0.000 1.546 349 Y CB 0.524 39.085 38.460 0.169 0.000 1.248 349 Y HN 0.149 nan 8.280 nan 0.000 0.559 350 P HA 0.128 nan 4.420 nan 0.000 0.274 350 P C -2.766 174.385 177.300 -0.248 0.000 1.237 350 P CA -1.504 61.448 63.100 -0.246 0.000 0.793 350 P CB 0.076 31.638 31.700 -0.230 0.000 0.977 351 P HA 0.102 nan 4.420 nan 0.000 0.262 351 P C -0.058 177.051 177.300 -0.318 0.000 1.199 351 P CA 0.537 63.481 63.100 -0.260 0.000 0.763 351 P CB 0.531 31.964 31.700 -0.445 0.000 0.790 352 R N 3.788 124.175 120.500 -0.188 0.000 2.538 352 R HA 0.318 4.658 4.340 -0.000 0.000 0.292 352 R C -0.275 175.944 176.300 -0.135 0.000 1.008 352 R CA -0.673 55.340 56.100 -0.144 0.000 0.896 352 R CB 1.497 31.760 30.300 -0.062 0.000 1.187 352 R HN 0.383 nan 8.270 nan 0.000 0.440 353 R N 1.927 122.349 120.500 -0.131 0.000 2.606 353 R HA 0.401 4.740 4.340 -0.000 0.000 0.249 353 R C -0.216 176.057 176.300 -0.045 0.000 1.127 353 R CA -0.655 55.388 56.100 -0.096 0.000 1.133 353 R CB 0.562 30.803 30.300 -0.099 0.000 1.243 353 R HN 0.625 nan 8.270 nan 0.000 0.558 354 E N -0.131 120.053 120.200 -0.026 0.000 2.212 354 E HA 0.268 4.618 4.350 -0.000 0.000 0.270 354 E C 1.054 177.664 176.600 0.017 0.000 0.956 354 E CA -0.452 55.948 56.400 -0.001 0.000 0.825 354 E CB 1.617 31.312 29.700 -0.009 0.000 1.167 354 E HN 0.372 nan 8.360 nan 0.000 0.400 355 I N 1.000 121.589 120.570 0.032 0.000 2.493 355 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 355 I C 2.382 178.507 176.117 0.014 0.000 1.160 355 I CA 1.314 62.632 61.300 0.030 0.000 1.445 355 I CB -0.312 37.709 38.000 0.034 0.000 1.086 355 I HN 0.650 nan 8.210 nan 0.000 0.433 356 T N -1.842 112.716 114.554 0.007 0.000 2.929 356 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 356 T C 1.813 176.515 174.700 0.004 0.000 1.085 356 T CA 1.106 63.207 62.100 0.001 0.000 1.125 356 T CB -0.723 68.144 68.868 -0.002 0.000 0.874 356 T HN 0.445 nan 8.240 nan 0.000 0.494 357 G N 0.278 109.081 108.800 0.006 0.000 2.880 357 G HA2 0.289 4.248 3.960 -0.000 0.000 0.209 357 G HA3 0.289 4.248 3.960 -0.000 0.000 0.209 357 G C 0.414 175.322 174.900 0.014 0.000 1.157 357 G CA -0.463 44.642 45.100 0.007 0.000 0.779 357 G HN 0.533 nan 8.290 nan 0.000 0.539 358 L N 1.464 122.697 121.223 0.017 0.000 2.367 358 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 358 L C -0.024 176.859 176.870 0.022 0.000 1.129 358 L CA -0.540 54.315 54.840 0.024 0.000 0.839 358 L CB 0.793 42.868 42.059 0.027 0.000 1.133 358 L HN 0.089 nan 8.230 nan 0.000 0.453 359 R N 3.479 123.995 120.500 0.026 0.000 2.254 359 R HA 0.474 4.814 4.340 -0.000 0.000 0.318 359 R C -1.097 175.220 176.300 0.028 0.000 1.031 359 R CA -0.461 55.653 56.100 0.024 0.000 0.905 359 R CB 1.495 31.810 30.300 0.025 0.000 1.050 359 R HN 0.370 nan 8.270 nan 0.000 0.456 360 V N 2.553 122.482 119.914 0.025 0.000 2.443 360 V HA 0.478 4.598 4.120 -0.000 0.000 0.293 360 V C -0.098 176.013 176.094 0.028 0.000 1.021 360 V CA -1.049 61.269 62.300 0.030 0.000 0.848 360 V CB 1.661 33.501 31.823 0.029 0.000 0.998 360 V HN 0.899 nan 8.190 nan 0.000 0.424 361 A N 3.087 125.926 122.820 0.032 0.000 2.331 361 A HA 0.680 4.999 4.320 -0.000 0.000 0.283 361 A C 0.910 178.516 177.584 0.035 0.000 1.142 361 A CA 0.305 52.360 52.037 0.030 0.000 0.812 361 A CB 0.743 19.761 19.000 0.029 0.000 1.074 361 A HN 1.083 nan 8.150 nan 0.000 0.497 362 T N -1.495 113.077 114.554 0.030 0.000 3.058 362 T HA 0.426 4.776 4.350 -0.000 0.000 0.278 362 T C 1.167 175.883 174.700 0.027 0.000 0.974 362 T CA 0.905 63.025 62.100 0.034 0.000 0.893 362 T CB -0.031 68.855 68.868 0.030 0.000 1.138 362 T HN 2.335 nan 8.240 nan 0.000 0.529 363 G N 1.292 110.106 108.800 0.023 0.000 2.225 363 G HA2 0.111 4.071 3.960 -0.000 0.000 0.267 363 G HA3 0.111 4.071 3.960 -0.000 0.000 0.267 363 G C 1.195 176.103 174.900 0.015 0.000 1.024 363 G CA 0.512 45.623 45.100 0.017 0.000 0.784 363 G HN 1.821 nan 8.290 nan 0.000 0.507 364 G N -1.761 107.048 108.800 0.015 0.000 2.159 364 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.256 364 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.256 364 G C 0.342 175.250 174.900 0.013 0.000 0.977 364 G CA 1.210 46.317 45.100 0.012 0.000 0.652 364 G HN 1.679 nan 8.290 nan 0.000 0.531 365 Q N 0.626 120.435 119.800 0.016 0.000 2.293 365 Q HA 0.748 5.088 4.340 -0.000 0.000 0.263 365 Q C 1.472 177.482 176.000 0.018 0.000 1.002 365 Q CA 1.091 56.905 55.803 0.018 0.000 0.910 365 Q CB 1.008 29.760 28.738 0.023 0.000 1.185 365 Q HN 0.750 nan 8.270 nan 0.000 0.401 366 A N 4.311 127.140 122.820 0.015 0.000 1.877 366 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 366 A C 1.489 179.081 177.584 0.014 0.000 1.186 366 A CA 1.749 53.794 52.037 0.012 0.000 0.620 366 A CB -0.422 18.584 19.000 0.011 0.000 0.822 366 A HN 0.865 nan 8.150 nan 0.000 0.443 367 E N 0.236 120.448 120.200 0.021 0.000 2.204 367 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 367 E C 1.827 178.445 176.600 0.029 0.000 0.990 367 E CA 0.924 57.340 56.400 0.027 0.000 0.821 367 E CB -0.293 29.430 29.700 0.039 0.000 0.750 367 E HN 0.646 nan 8.360 nan 0.000 0.477 368 L N 0.290 121.533 121.223 0.033 0.000 2.095 368 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 368 L C 2.385 179.268 176.870 0.021 0.000 1.080 368 L CA 1.021 55.884 54.840 0.038 0.000 0.759 368 L CB -0.378 41.709 42.059 0.047 0.000 0.914 368 L HN 0.143 nan 8.230 nan 0.000 0.439 369 Q N -0.180 119.629 119.800 0.014 0.000 2.096 369 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 369 Q C 2.326 178.321 176.000 -0.008 0.000 0.982 369 Q CA 1.465 57.270 55.803 0.004 0.000 0.850 369 Q CB -0.215 28.525 28.738 0.004 0.000 0.901 369 Q HN 0.345 nan 8.270 nan 0.000 0.422 370 R N 0.463 120.956 120.500 -0.011 0.000 2.091 370 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 370 R C 2.101 178.371 176.300 -0.051 0.000 1.136 370 R CA 1.479 57.561 56.100 -0.030 0.000 0.959 370 R CB -0.207 30.077 30.300 -0.025 0.000 0.856 370 R HN 0.142 nan 8.270 nan 0.000 0.437 371 V N 0.367 120.259 119.914 -0.037 0.000 2.261 371 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 371 V C 2.499 178.563 176.094 -0.051 0.000 1.047 371 V CA 1.742 64.010 62.300 -0.052 0.000 1.015 371 V CB -0.368 31.449 31.823 -0.009 0.000 0.642 371 V HN 0.178 nan 8.190 nan 0.000 0.446 372 V N -0.021 119.878 119.914 -0.024 0.000 2.287 372 V HA -0.305 3.814 4.120 -0.000 0.000 0.248 372 V C 2.591 178.666 176.094 -0.033 0.000 1.053 372 V CA 2.268 64.556 62.300 -0.019 0.000 1.027 372 V CB -0.857 30.965 31.823 -0.003 0.000 0.646 372 V HN 0.468 nan 8.190 nan 0.000 0.447 373 R N -0.010 120.468 120.500 -0.036 0.000 2.081 373 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 373 R C 2.470 178.732 176.300 -0.063 0.000 1.131 373 R CA 1.467 57.542 56.100 -0.042 0.000 0.960 373 R CB -0.643 29.635 30.300 -0.037 0.000 0.856 373 R HN 0.542 nan 8.270 nan 0.000 0.436 374 A N 1.212 123.978 122.820 -0.090 0.000 1.933 374 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 374 A C 2.140 179.648 177.584 -0.126 0.000 1.175 374 A CA 1.133 53.091 52.037 -0.132 0.000 0.628 374 A CB -0.483 18.397 19.000 -0.200 0.000 0.814 374 A HN 0.193 nan 8.150 nan 0.000 0.444 375 L N -1.610 119.551 121.223 -0.104 0.000 2.291 375 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 375 L C 1.922 178.761 176.870 -0.052 0.000 1.120 375 L CA 0.791 55.583 54.840 -0.079 0.000 0.799 375 L CB -0.369 41.656 42.059 -0.057 0.000 0.925 375 L HN 0.640 nan 8.230 nan 0.000 0.446 376 G N -0.525 108.247 108.800 -0.046 0.000 2.176 376 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.253 376 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.253 376 G C 0.436 175.325 174.900 -0.017 0.000 0.979 376 G CA 0.103 45.185 45.100 -0.030 0.000 0.641 376 G HN 0.537 nan 8.290 nan 0.000 0.530 377 A N -0.334 122.477 122.820 -0.015 0.000 2.327 377 A HA 0.633 4.953 4.320 -0.000 0.000 0.255 377 A C 0.556 178.138 177.584 -0.002 0.000 1.099 377 A CA 0.169 52.203 52.037 -0.004 0.000 0.801 377 A CB 0.284 19.284 19.000 0.000 0.000 1.062 377 A HN 0.387 nan 8.150 nan 0.000 0.496 378 Q N 0.630 120.432 119.800 0.004 0.000 2.331 378 Q HA 0.351 4.691 4.340 -0.000 0.000 0.257 378 Q C -0.839 175.165 176.000 0.008 0.000 0.957 378 Q CA -0.076 55.730 55.803 0.005 0.000 0.923 378 Q CB 1.298 30.041 28.738 0.008 0.000 1.212 378 Q HN 0.603 nan 8.270 nan 0.000 0.443 379 L N 3.148 124.374 121.223 0.006 0.000 2.410 379 L HA 0.282 4.622 4.340 -0.000 0.000 0.273 379 L C -0.119 176.757 176.870 0.010 0.000 1.144 379 L CA -0.145 54.700 54.840 0.008 0.000 0.863 379 L CB 0.600 42.662 42.059 0.005 0.000 1.140 379 L HN 0.326 nan 8.230 nan 0.000 0.463 380 V N 0.000 119.922 119.914 0.014 0.000 2.409 380 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 380 V CA 0.000 62.308 62.300 0.014 0.000 1.235 380 V CB 0.000 31.833 31.823 0.017 0.000 1.184 380 V HN 0.000 nan 8.190 nan 0.000 0.556