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 2h7y_1_B DATA FIRST_RESID 9 DATA SEQUENCE AGMFRALFRQ AVEDDRYGEF LDVLAEASAF RPQFASPEAC SERLDPVLLA DATA SEQUENCE GGPTXXXEGR AVLVGCTGTA ANGGPHEFLR LSTSFQEERD FLAVPLPGYG DATA SEQUENCE XXXXXGTALL PADLDTALDA QARAILRAAG DAPVVLLGHS GGALLAHELA DATA SEQUENCE FRLERAHGAP PAGIVLVDPY PPGHQEPIEV WSRQLGEGLF AGELEPMSDA DATA SEQUENCE RLLAMGRYAR FLAGPRPGRS SAPVLLVRAS EPLGDWQEER GDWRAHWDLP DATA SEQUENCE HTVADVPGDH FTMMRDHAPA VAEAVLSWLD AIE 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.636 177.584 0.087 0.000 1.274 9 A CA 0.000 52.088 52.037 0.084 0.000 0.836 9 A CB 0.000 19.062 19.000 0.104 0.000 0.831 10 G N -1.337 107.532 108.800 0.116 0.000 2.537 10 G HA2 0.531 4.492 3.960 0.001 0.000 0.323 10 G HA3 0.531 4.492 3.960 0.001 0.000 0.323 10 G C 0.446 175.424 174.900 0.129 0.000 1.207 10 G CA 0.207 45.382 45.100 0.126 0.000 0.976 10 G HN 0.659 nan 8.290 nan 0.000 0.487 11 M N 0.499 120.152 119.600 0.088 0.000 2.159 11 M HA 0.114 4.595 4.480 0.001 0.000 0.263 11 M C 1.932 178.260 176.300 0.046 0.000 1.063 11 M CA 1.447 56.752 55.300 0.009 0.000 1.110 11 M CB -0.728 31.809 32.600 -0.105 0.000 1.374 11 M HN 0.526 nan 8.290 nan 0.000 0.411 12 F N -0.387 119.660 119.950 0.161 0.000 2.134 12 F HA -0.189 4.339 4.527 0.001 0.000 0.299 12 F C 2.648 178.605 175.800 0.261 0.000 1.097 12 F CA 1.942 60.099 58.000 0.263 0.000 1.264 12 F CB -0.550 38.580 39.000 0.216 0.000 1.001 12 F HN 0.178 nan 8.300 nan 0.000 0.479 13 R N 0.619 121.361 120.500 0.402 0.000 2.073 13 R HA -0.182 4.159 4.340 0.001 0.000 0.234 13 R C 2.346 178.847 176.300 0.336 0.000 1.134 13 R CA 1.424 57.763 56.100 0.398 0.000 0.952 13 R CB -0.544 29.945 30.300 0.316 0.000 0.850 13 R HN 0.252 nan 8.270 nan 0.000 0.433 14 A N 1.146 124.077 122.820 0.185 0.000 1.883 14 A HA -0.147 4.174 4.320 0.001 0.000 0.217 14 A C 2.230 179.807 177.584 -0.011 0.000 1.186 14 A CA 1.462 53.540 52.037 0.069 0.000 0.624 14 A CB -0.615 18.405 19.000 0.034 0.000 0.822 14 A HN 0.365 nan 8.150 nan 0.000 0.444 15 L N -2.124 119.080 121.223 -0.030 0.000 2.046 15 L HA -0.159 4.182 4.340 0.001 0.000 0.208 15 L C 2.502 179.062 176.870 -0.516 0.000 1.077 15 L CA 1.487 56.205 54.840 -0.203 0.000 0.747 15 L CB -0.634 41.378 42.059 -0.079 0.000 0.896 15 L HN 0.445 nan 8.230 nan 0.000 0.432 16 F N 1.157 120.686 119.950 -0.702 0.000 2.126 16 F HA -0.224 4.304 4.527 0.001 0.000 0.299 16 F C 2.802 178.528 175.800 -0.122 0.000 1.096 16 F CA 1.618 59.265 58.000 -0.589 0.000 1.255 16 F CB -0.495 38.506 39.000 0.002 0.000 0.997 16 F HN -0.071 nan 8.300 nan 0.000 0.479 17 R N -0.079 120.362 120.500 -0.099 0.000 2.091 17 R HA -0.259 4.082 4.340 0.001 0.000 0.238 17 R C 2.315 178.385 176.300 -0.384 0.000 1.136 17 R CA 1.982 57.760 56.100 -0.537 0.000 0.959 17 R CB -0.493 29.467 30.300 -0.568 0.000 0.856 17 R HN 0.326 nan 8.270 nan 0.000 0.437 18 Q N 0.198 119.848 119.800 -0.250 0.000 2.079 18 Q HA -0.058 4.283 4.340 0.001 0.000 0.200 18 Q C 1.885 177.800 176.000 -0.142 0.000 0.974 18 Q CA 2.118 57.815 55.803 -0.176 0.000 0.840 18 Q CB -0.318 28.345 28.738 -0.125 0.000 0.898 18 Q HN 0.454 nan 8.270 nan 0.000 0.430 19 A N -0.574 122.149 122.820 -0.163 0.000 1.908 19 A HA -0.175 4.146 4.320 0.001 0.000 0.218 19 A C 2.261 179.839 177.584 -0.010 0.000 1.181 19 A CA 1.818 53.827 52.037 -0.046 0.000 0.627 19 A CB -0.924 18.073 19.000 -0.006 0.000 0.818 19 A HN 0.282 nan 8.150 nan 0.000 0.445 20 V N 0.063 119.909 119.914 -0.114 0.000 2.307 20 V HA -0.276 3.845 4.120 0.001 0.000 0.245 20 V C 2.381 178.435 176.094 -0.067 0.000 1.045 20 V CA 2.224 64.478 62.300 -0.077 0.000 1.024 20 V CB -0.972 30.731 31.823 -0.199 0.000 0.651 20 V HN 0.649 nan 8.190 nan 0.000 0.449 21 E N 0.243 120.368 120.200 -0.124 0.000 2.086 21 E HA -0.287 4.064 4.350 0.001 0.000 0.200 21 E C 1.635 178.211 176.600 -0.040 0.000 1.012 21 E CA 1.720 58.065 56.400 -0.092 0.000 0.812 21 E CB -0.295 29.337 29.700 -0.115 0.000 0.743 21 E HN 0.589 nan 8.360 nan 0.000 0.453 22 D N 0.436 120.822 120.400 -0.024 0.000 2.352 22 D HA -0.053 4.588 4.640 0.001 0.000 0.232 22 D C -0.150 176.172 176.300 0.038 0.000 1.055 22 D CA 0.494 54.499 54.000 0.008 0.000 0.891 22 D CB -0.310 40.501 40.800 0.017 0.000 0.897 22 D HN 0.058 nan 8.370 nan 0.000 0.529 23 D N 0.356 120.784 120.400 0.047 0.000 2.689 23 D HA -0.234 4.407 4.640 0.001 0.000 0.237 23 D C -0.214 176.161 176.300 0.124 0.000 1.148 23 D CA 0.472 54.522 54.000 0.083 0.000 0.656 23 D CB -0.806 40.033 40.800 0.065 0.000 1.050 23 D HN 0.278 nan 8.370 nan 0.000 0.426 24 R N 0.141 120.737 120.500 0.159 0.000 2.698 24 R HA 0.106 4.447 4.340 0.001 0.000 0.422 24 R C 1.090 177.568 176.300 0.297 0.000 1.073 24 R CA -0.450 55.768 56.100 0.196 0.000 1.054 24 R CB -0.022 30.373 30.300 0.158 0.000 1.373 24 R HN 0.281 nan 8.270 nan 0.000 0.593 25 Y N 0.799 121.222 120.300 0.205 0.000 2.069 25 Y HA -0.273 4.278 4.550 0.001 0.000 0.278 25 Y C 2.187 178.279 175.900 0.319 0.000 1.175 25 Y CA 2.390 60.680 58.100 0.316 0.000 1.134 25 Y CB -0.243 38.371 38.460 0.257 0.000 0.965 25 Y HN 0.224 nan 8.280 nan 0.000 0.498 26 G N -0.565 108.452 108.800 0.363 0.000 2.440 26 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 26 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 26 G C 1.465 176.436 174.900 0.119 0.000 1.154 26 G CA 1.052 46.280 45.100 0.213 0.000 0.767 26 G HN 0.541 nan 8.290 nan 0.000 0.552 27 E N -0.615 119.679 120.200 0.156 0.000 2.077 27 E HA -0.096 4.255 4.350 0.001 0.000 0.193 27 E C 2.104 178.783 176.600 0.132 0.000 0.989 27 E CA 0.695 57.173 56.400 0.130 0.000 0.800 27 E CB -0.209 29.583 29.700 0.152 0.000 0.746 27 E HN 0.442 nan 8.360 nan 0.000 0.452 28 F N 1.140 121.132 119.950 0.069 0.000 2.186 28 F HA -0.148 4.380 4.527 0.001 0.000 0.299 28 F C 1.992 177.766 175.800 -0.042 0.000 1.090 28 F CA 0.741 58.785 58.000 0.074 0.000 1.307 28 F CB 0.034 39.166 39.000 0.219 0.000 1.019 28 F HN -0.004 nan 8.300 nan 0.000 0.489 29 L N 0.095 121.258 121.223 -0.101 0.000 2.079 29 L HA -0.246 4.095 4.340 0.001 0.000 0.210 29 L C 1.949 178.685 176.870 -0.222 0.000 1.081 29 L CA 1.827 56.522 54.840 -0.243 0.000 0.752 29 L CB -1.322 40.588 42.059 -0.249 0.000 0.896 29 L HN 0.142 nan 8.230 nan 0.000 0.433 30 D N -0.769 119.544 120.400 -0.146 0.000 2.144 30 D HA -0.128 4.513 4.640 0.001 0.000 0.200 30 D C 2.335 178.532 176.300 -0.171 0.000 0.978 30 D CA 0.847 54.774 54.000 -0.121 0.000 0.833 30 D CB 0.058 40.827 40.800 -0.053 0.000 0.961 30 D HN 0.134 nan 8.370 nan 0.000 0.470 31 V N 1.206 120.971 119.914 -0.249 0.000 2.295 31 V HA -0.229 3.892 4.120 0.001 0.000 0.246 31 V C 2.691 178.585 176.094 -0.334 0.000 1.049 31 V CA 1.174 63.296 62.300 -0.297 0.000 1.024 31 V CB -0.511 31.025 31.823 -0.477 0.000 0.648 31 V HN 0.187 nan 8.190 nan 0.000 0.447 32 L N 0.053 120.973 121.223 -0.506 0.000 2.042 32 L HA -0.193 4.148 4.340 0.001 0.000 0.210 32 L C 2.754 179.426 176.870 -0.329 0.000 1.076 32 L CA 1.659 56.228 54.840 -0.452 0.000 0.749 32 L CB -0.847 40.924 42.059 -0.479 0.000 0.893 32 L HN 0.367 nan 8.230 nan 0.000 0.432 33 A N -0.264 122.390 122.820 -0.277 0.000 1.883 33 A HA -0.204 4.116 4.320 0.001 0.000 0.217 33 A C 2.222 179.682 177.584 -0.206 0.000 1.186 33 A CA 1.618 53.508 52.037 -0.246 0.000 0.624 33 A CB -0.403 18.477 19.000 -0.201 0.000 0.822 33 A HN 0.373 nan 8.150 nan 0.000 0.444 34 E N -0.034 120.078 120.200 -0.146 0.000 2.077 34 E HA -0.147 4.204 4.350 0.001 0.000 0.193 34 E C 2.316 178.902 176.600 -0.024 0.000 0.989 34 E CA 1.311 57.662 56.400 -0.081 0.000 0.800 34 E CB -0.685 29.006 29.700 -0.014 0.000 0.746 34 E HN 0.588 nan 8.360 nan 0.000 0.452 35 A N 1.653 124.478 122.820 0.010 0.000 1.969 35 A HA -0.159 4.162 4.320 0.001 0.000 0.218 35 A C 2.391 179.991 177.584 0.027 0.000 1.169 35 A CA 1.931 54.053 52.037 0.142 0.000 0.635 35 A CB -0.583 18.485 19.000 0.114 0.000 0.810 35 A HN 0.330 nan 8.150 nan 0.000 0.445 36 S N 0.250 115.851 115.700 -0.164 0.000 2.442 36 S HA 0.019 4.490 4.470 0.001 0.000 0.236 36 S C 1.935 176.397 174.600 -0.230 0.000 1.007 36 S CA 1.191 59.261 58.200 -0.216 0.000 0.965 36 S CB -0.623 62.400 63.200 -0.294 0.000 0.773 36 S HN 0.936 nan 8.310 nan 0.000 0.504 37 A N 0.636 123.253 122.820 -0.338 0.000 2.076 37 A HA 0.098 4.418 4.320 0.001 0.000 0.220 37 A C 1.383 178.599 177.584 -0.614 0.000 1.160 37 A CA 1.108 52.819 52.037 -0.544 0.000 0.653 37 A CB -0.825 17.702 19.000 -0.789 0.000 0.801 37 A HN 0.642 nan 8.150 nan 0.000 0.455 38 F N -0.529 119.388 119.950 -0.055 0.000 2.639 38 F HA 0.281 4.809 4.527 0.001 0.000 0.302 38 F C 0.938 176.720 175.800 -0.029 0.000 1.097 38 F CA -0.400 57.582 58.000 -0.030 0.000 1.294 38 F CB 0.231 39.224 39.000 -0.012 0.000 1.027 38 F HN -0.083 nan 8.300 nan 0.000 0.550 39 R N 1.040 121.564 120.500 0.040 0.000 2.457 39 R HA 0.369 4.710 4.340 0.001 0.000 0.284 39 R C -2.452 173.853 176.300 0.007 0.000 1.024 39 R CA -2.068 54.041 56.100 0.016 0.000 1.025 39 R CB -0.014 30.261 30.300 -0.041 0.000 1.063 39 R HN -0.079 nan 8.270 nan 0.000 0.493 40 P HA 0.074 nan 4.420 nan 0.000 0.268 40 P C -0.660 176.666 177.300 0.043 0.000 1.204 40 P CA 0.145 63.268 63.100 0.038 0.000 0.768 40 P CB 0.601 32.332 31.700 0.051 0.000 0.842 41 Q N 1.281 121.105 119.800 0.041 0.000 2.416 41 Q HA 0.640 4.981 4.340 0.001 0.000 0.279 41 Q C -0.833 175.241 176.000 0.123 0.000 1.101 41 Q CA -0.862 54.959 55.803 0.029 0.000 0.830 41 Q CB 1.753 30.451 28.738 -0.065 0.000 1.402 41 Q HN 0.470 nan 8.270 nan 0.000 0.445 42 F N -1.465 118.495 119.950 0.016 0.000 2.469 42 F HA 0.809 5.337 4.527 0.002 0.000 0.332 42 F C 0.037 175.845 175.800 0.013 0.000 1.103 42 F CA -0.847 57.164 58.000 0.018 0.000 0.979 42 F CB 1.224 40.241 39.000 0.029 0.000 1.137 42 F HN 0.518 nan 8.300 nan 0.000 0.463 43 A N 2.145 125.013 122.820 0.080 0.000 2.431 43 A HA 0.440 4.761 4.320 0.001 0.000 0.239 43 A C 0.325 177.940 177.584 0.051 0.000 1.230 43 A CA 0.503 52.530 52.037 -0.018 0.000 0.928 43 A CB -0.520 18.472 19.000 -0.014 0.000 1.006 43 A HN 0.877 nan 8.150 nan 0.000 0.520 44 S N -1.451 114.353 115.700 0.174 0.000 2.536 44 S HA 0.586 5.057 4.470 0.001 0.000 0.287 44 S C -2.517 172.245 174.600 0.269 0.000 1.101 44 S CA -1.194 57.103 58.200 0.161 0.000 0.950 44 S CB 2.056 65.317 63.200 0.101 0.000 1.056 44 S HN -0.108 nan 8.310 nan 0.000 0.481 45 P HA -0.141 nan 4.420 nan 0.000 0.216 45 P C 0.896 178.254 177.300 0.097 0.000 1.154 45 P CA 1.484 64.710 63.100 0.209 0.000 0.865 45 P CB 0.038 31.826 31.700 0.148 0.000 0.789 46 E N -0.575 119.668 120.200 0.072 0.000 2.150 46 E HA -0.071 4.280 4.350 0.001 0.000 0.193 46 E C 1.953 178.550 176.600 -0.005 0.000 0.985 46 E CA 1.221 57.634 56.400 0.023 0.000 0.814 46 E CB -0.817 28.899 29.700 0.028 0.000 0.752 46 E HN 0.180 nan 8.360 nan 0.000 0.466 47 A N 0.249 123.094 122.820 0.042 0.000 2.235 47 A HA -0.009 4.311 4.320 0.001 0.000 0.208 47 A C 0.849 178.372 177.584 -0.102 0.000 1.172 47 A CA -0.186 51.874 52.037 0.038 0.000 0.786 47 A CB -0.635 18.447 19.000 0.136 0.000 0.804 47 A HN 0.365 nan 8.150 nan 0.000 0.479 48 C N 1.909 120.978 119.300 -0.384 0.000 2.590 48 C HA 0.206 4.667 4.460 0.001 0.000 0.411 48 C C 2.268 177.017 174.990 -0.402 0.000 1.420 48 C CA 0.493 58.975 59.018 -0.893 0.000 1.643 48 C CB -0.850 26.400 27.740 -0.816 0.000 2.528 48 C HN 0.701 nan 8.230 nan 0.000 0.606 49 S N 3.220 118.727 115.700 -0.321 0.000 2.515 49 S HA -0.027 4.444 4.470 0.001 0.000 0.231 49 S C 0.418 174.958 174.600 -0.100 0.000 0.987 49 S CA 0.573 58.696 58.200 -0.128 0.000 0.936 49 S CB -0.204 62.968 63.200 -0.047 0.000 0.766 49 S HN 0.936 nan 8.310 nan 0.000 0.528 50 E N 0.646 120.765 120.200 -0.135 0.000 2.227 50 E HA 0.436 4.787 4.350 0.001 0.000 0.268 50 E C -1.098 175.459 176.600 -0.071 0.000 0.907 50 E CA -1.158 55.200 56.400 -0.070 0.000 0.786 50 E CB 1.276 30.958 29.700 -0.030 0.000 1.191 50 E HN 0.100 nan 8.360 nan 0.000 0.411 51 R N 1.836 122.314 120.500 -0.036 0.000 2.298 51 R HA 0.229 4.570 4.340 0.001 0.000 0.310 51 R C 0.386 176.676 176.300 -0.017 0.000 1.068 51 R CA -0.147 55.935 56.100 -0.029 0.000 0.957 51 R CB 0.636 30.927 30.300 -0.016 0.000 1.003 51 R HN 0.537 nan 8.270 nan 0.000 0.454 52 L N 2.736 123.947 121.223 -0.021 0.000 2.791 52 L HA 0.135 4.475 4.340 0.001 0.000 0.239 52 L C -0.487 176.376 176.870 -0.011 0.000 1.203 52 L CA -0.140 54.695 54.840 -0.009 0.000 1.002 52 L CB -0.077 41.977 42.059 -0.008 0.000 1.295 52 L HN 0.548 nan 8.230 nan 0.000 0.504 53 D N 2.189 122.583 120.400 -0.010 0.000 2.451 53 D HA 0.061 4.702 4.640 0.001 0.000 0.254 53 D C -2.105 174.190 176.300 -0.009 0.000 1.204 53 D CA -0.594 53.398 54.000 -0.013 0.000 0.896 53 D CB 0.404 41.199 40.800 -0.008 0.000 1.136 53 D HN 0.034 nan 8.370 nan 0.000 0.499 54 P HA 0.026 nan 4.420 nan 0.000 0.269 54 P C -0.656 176.642 177.300 -0.004 0.000 1.209 54 P CA -0.502 62.583 63.100 -0.024 0.000 0.776 54 P CB 0.630 32.293 31.700 -0.062 0.000 0.876 55 V N 1.177 121.104 119.914 0.021 0.000 2.472 55 V HA 0.443 4.564 4.120 0.001 0.000 0.290 55 V C -0.295 175.833 176.094 0.057 0.000 1.037 55 V CA -1.100 61.227 62.300 0.044 0.000 0.908 55 V CB 1.245 33.109 31.823 0.069 0.000 0.985 55 V HN 0.297 nan 8.190 nan 0.000 0.454 56 L N 5.112 126.366 121.223 0.052 0.000 2.278 56 L HA 0.448 4.789 4.340 0.001 0.000 0.287 56 L C 0.453 177.386 176.870 0.105 0.000 1.072 56 L CA 0.429 55.309 54.840 0.067 0.000 0.819 56 L CB 0.490 42.573 42.059 0.039 0.000 1.176 56 L HN 0.811 nan 8.230 nan 0.000 0.435 57 L N 4.906 126.233 121.223 0.174 0.000 2.609 57 L HA 0.523 4.863 4.340 0.001 0.000 0.230 57 L C 0.584 177.531 176.870 0.128 0.000 1.087 57 L CA 0.252 55.190 54.840 0.163 0.000 0.874 57 L CB -0.017 42.171 42.059 0.216 0.000 1.114 57 L HN 0.745 nan 8.230 nan 0.000 0.488 58 A N -0.326 122.592 122.820 0.164 0.000 2.539 58 A HA 0.754 5.075 4.320 0.001 0.000 0.296 58 A C -0.648 177.006 177.584 0.116 0.000 1.073 58 A CA -0.189 51.930 52.037 0.136 0.000 0.700 58 A CB 1.401 20.513 19.000 0.186 0.000 1.296 58 A HN 0.028 nan 8.150 nan 0.000 0.405 59 G N 0.063 108.915 108.800 0.086 0.000 2.470 59 G HA2 0.606 4.567 3.960 0.001 0.000 0.320 59 G HA3 0.606 4.567 3.960 0.001 0.000 0.320 59 G C 0.115 175.052 174.900 0.061 0.000 1.245 59 G CA 0.130 45.266 45.100 0.060 0.000 0.935 59 G HN 1.181 nan 8.290 nan 0.000 0.476 60 G N 1.372 110.200 108.800 0.046 0.000 2.557 60 G HA2 0.697 4.657 3.960 0.001 0.000 0.292 60 G HA3 0.697 4.657 3.960 0.001 0.000 0.292 60 G C -2.150 172.767 174.900 0.028 0.000 1.237 60 G CA -1.183 43.943 45.100 0.043 0.000 0.978 60 G HN 0.567 nan 8.290 nan 0.000 0.498 61 P HA 0.121 nan 4.420 nan 0.000 0.268 61 P C 0.197 177.502 177.300 0.008 0.000 1.205 61 P CA 0.093 63.203 63.100 0.015 0.000 0.771 61 P CB 1.002 32.710 31.700 0.013 0.000 0.858 67 G N 2.454 111.230 108.800 -0.040 0.000 2.160 67 G HA2 -0.324 3.637 3.960 0.001 0.000 0.251 67 G HA3 -0.324 3.637 3.960 0.001 0.000 0.251 67 G C 0.066 174.932 174.900 -0.058 0.000 1.008 67 G CA 0.645 45.716 45.100 -0.049 0.000 0.724 67 G HN 0.126 nan 8.290 nan 0.000 0.514 68 R N 0.354 120.822 120.500 -0.054 0.000 2.438 68 R HA 0.547 4.888 4.340 0.001 0.000 0.287 68 R C 1.020 177.276 176.300 -0.075 0.000 1.077 68 R CA 0.197 56.260 56.100 -0.062 0.000 1.034 68 R CB 0.760 31.032 30.300 -0.047 0.000 0.993 68 R HN 0.548 nan 8.270 nan 0.000 0.459 69 A N 2.869 125.634 122.820 -0.093 0.000 2.498 69 A HA 0.184 4.505 4.320 0.001 0.000 0.239 69 A C 0.400 177.915 177.584 -0.114 0.000 1.068 69 A CA -0.464 51.508 52.037 -0.109 0.000 0.766 69 A CB 0.213 19.136 19.000 -0.129 0.000 1.003 69 A HN 0.597 nan 8.150 nan 0.000 0.497 70 V N 1.702 121.539 119.914 -0.129 0.000 2.617 70 V HA 0.673 4.793 4.120 0.001 0.000 0.298 70 V C -0.037 175.917 176.094 -0.233 0.000 1.048 70 V CA -0.903 61.301 62.300 -0.161 0.000 0.964 70 V CB 1.016 32.752 31.823 -0.145 0.000 1.004 70 V HN 0.688 nan 8.190 nan 0.000 0.466 71 L N 4.323 125.352 121.223 -0.322 0.000 2.305 71 L HA 0.554 4.895 4.340 0.001 0.000 0.281 71 L C -0.441 176.005 176.870 -0.706 0.000 1.085 71 L CA -0.386 54.163 54.840 -0.484 0.000 0.813 71 L CB 1.713 43.430 42.059 -0.570 0.000 1.157 71 L HN 0.580 nan 8.230 nan 0.000 0.436 72 V N 2.718 122.243 119.914 -0.648 0.000 2.376 72 V HA 0.378 4.499 4.120 0.001 0.000 0.287 72 V C 0.570 176.216 176.094 -0.748 0.000 1.015 72 V CA -0.687 61.215 62.300 -0.663 0.000 0.834 72 V CB 1.459 33.058 31.823 -0.373 0.000 1.001 72 V HN 0.857 nan 8.190 nan 0.000 0.428 73 G N 3.237 111.370 108.800 -1.111 0.000 2.354 73 G HA2 0.289 4.250 3.960 0.001 0.000 0.266 73 G HA3 0.289 4.250 3.960 0.001 0.000 0.266 73 G C -0.021 174.627 174.900 -0.420 0.000 1.242 73 G CA -0.131 44.303 45.100 -1.110 0.000 0.923 73 G HN 0.780 nan 8.290 nan 0.000 0.476 74 C N 3.039 122.260 119.300 -0.131 0.000 2.227 74 C HA 0.310 4.771 4.460 0.001 0.000 0.333 74 C C 1.163 176.330 174.990 0.295 0.000 1.145 74 C CA -0.666 58.391 59.018 0.066 0.000 1.643 74 C CB -0.953 26.800 27.740 0.020 0.000 2.185 74 C HN 0.765 nan 8.230 nan 0.000 0.497 75 T N 3.438 118.149 114.554 0.262 0.000 2.866 75 T HA 0.255 4.606 4.350 0.001 0.000 0.293 75 T C 0.994 175.646 174.700 -0.079 0.000 1.005 75 T CA 0.557 62.711 62.100 0.091 0.000 1.162 75 T CB 0.455 69.293 68.868 -0.051 0.000 0.968 75 T HN 0.909 nan 8.240 nan 0.000 0.530 76 G N 1.844 110.569 108.800 -0.125 0.000 2.553 76 G HA2 0.341 4.302 3.960 0.001 0.000 0.278 76 G HA3 0.341 4.302 3.960 0.001 0.000 0.278 76 G C 1.220 175.971 174.900 -0.249 0.000 1.349 76 G CA -0.059 44.965 45.100 -0.127 0.000 1.037 76 G HN 0.750 nan 8.290 nan 0.000 0.508 77 T N -2.815 111.666 114.554 -0.123 0.000 3.065 77 T HA 0.402 4.753 4.350 0.001 0.000 0.252 77 T C 1.291 176.039 174.700 0.080 0.000 1.099 77 T CA 0.680 62.746 62.100 -0.057 0.000 1.063 77 T CB -0.121 68.799 68.868 0.088 0.000 0.948 77 T HN 0.903 nan 8.240 nan 0.000 0.506 78 A N 1.181 124.028 122.820 0.045 0.000 2.566 78 A HA 0.607 4.928 4.320 0.001 0.000 0.245 78 A C 1.842 179.518 177.584 0.152 0.000 1.056 78 A CA 0.267 52.374 52.037 0.116 0.000 0.757 78 A CB -0.354 18.707 19.000 0.102 0.000 0.979 78 A HN 0.661 nan 8.150 nan 0.000 0.508 79 A N 2.880 125.809 122.820 0.181 0.000 2.070 79 A HA -0.149 4.171 4.320 0.001 0.000 0.220 79 A C 1.678 179.345 177.584 0.139 0.000 1.159 79 A CA 1.650 53.799 52.037 0.187 0.000 0.656 79 A CB -0.505 18.529 19.000 0.057 0.000 0.800 79 A HN 1.051 nan 8.150 nan 0.000 0.453 80 N N 0.054 118.813 118.700 0.099 0.000 2.398 80 N HA 0.157 4.898 4.740 0.001 0.000 0.188 80 N C 0.776 176.387 175.510 0.168 0.000 1.122 80 N CA 0.823 53.932 53.050 0.099 0.000 0.866 80 N CB -0.506 38.010 38.487 0.048 0.000 0.970 80 N HN 0.254 nan 8.380 nan 0.000 0.462 81 G N -1.505 107.342 108.800 0.077 0.000 2.574 81 G HA2 0.627 4.588 3.960 0.001 0.000 0.248 81 G HA3 0.627 4.588 3.960 0.001 0.000 0.248 81 G C 0.253 175.088 174.900 -0.108 0.000 1.422 81 G CA -0.117 44.916 45.100 -0.112 0.000 1.051 81 G HN 0.604 nan 8.290 nan 0.000 0.560 82 G N -1.347 107.265 108.800 -0.314 0.000 2.217 82 G HA2 0.032 3.993 3.960 0.001 0.000 0.173 82 G HA3 0.032 3.993 3.960 0.001 0.000 0.173 82 G C -2.025 172.763 174.900 -0.187 0.000 1.324 82 G CA 0.351 45.355 45.100 -0.160 0.000 1.225 82 G HN 0.503 nan 8.290 nan 0.000 0.494 83 P HA -0.019 nan 4.420 nan 0.000 0.218 83 P C 1.419 178.756 177.300 0.061 0.000 1.148 83 P CA 1.981 65.120 63.100 0.065 0.000 0.822 83 P CB -0.290 31.485 31.700 0.125 0.000 0.784 84 H N -1.159 117.906 119.070 -0.008 0.000 2.548 84 H HA 0.115 4.672 4.556 0.001 0.000 0.268 84 H C 1.674 176.961 175.328 -0.068 0.000 0.975 84 H CA 0.602 56.638 56.048 -0.019 0.000 1.195 84 H CB -0.627 29.121 29.762 -0.024 0.000 1.397 84 H HN 0.228 nan 8.280 nan 0.000 0.572 85 E N 1.061 120.936 120.200 -0.541 0.000 2.086 85 E HA -0.205 4.146 4.350 0.001 0.000 0.200 85 E C 0.425 176.732 176.600 -0.488 0.000 1.012 85 E CA 1.558 57.583 56.400 -0.626 0.000 0.812 85 E CB -0.088 29.082 29.700 -0.884 0.000 0.743 85 E HN 0.422 nan 8.360 nan 0.000 0.453 86 F N 0.040 119.984 119.950 -0.011 0.000 2.641 86 F HA 0.224 4.752 4.527 0.001 0.000 0.302 86 F C 1.440 177.177 175.800 -0.105 0.000 1.098 86 F CA -0.147 57.841 58.000 -0.021 0.000 1.318 86 F CB 0.151 39.227 39.000 0.126 0.000 1.035 86 F HN 0.023 nan 8.300 nan 0.000 0.551 87 L N -0.313 120.952 121.223 0.070 0.000 2.017 87 L HA -0.209 4.132 4.340 0.001 0.000 0.208 87 L C 2.809 179.668 176.870 -0.018 0.000 1.073 87 L CA 1.501 56.361 54.840 0.034 0.000 0.745 87 L CB -0.397 41.696 42.059 0.056 0.000 0.894 87 L HN 0.111 nan 8.230 nan 0.000 0.432 88 R N -0.005 120.482 120.500 -0.023 0.000 2.073 88 R HA -0.206 4.134 4.340 0.001 0.000 0.234 88 R C 2.338 178.582 176.300 -0.093 0.000 1.134 88 R CA 1.463 57.532 56.100 -0.052 0.000 0.952 88 R CB -0.293 29.979 30.300 -0.047 0.000 0.850 88 R HN 0.155 nan 8.270 nan 0.000 0.433 89 L N 0.842 122.013 121.223 -0.085 0.000 2.012 89 L HA -0.197 4.143 4.340 0.001 0.000 0.210 89 L C 2.308 179.022 176.870 -0.259 0.000 1.073 89 L CA 2.449 57.204 54.840 -0.141 0.000 0.748 89 L CB -0.669 41.388 42.059 -0.004 0.000 0.891 89 L HN 0.323 nan 8.230 nan 0.000 0.431 90 S N -1.869 113.669 115.700 -0.270 0.000 2.419 90 S HA -0.235 4.236 4.470 0.001 0.000 0.235 90 S C 2.024 176.555 174.600 -0.115 0.000 1.019 90 S CA 1.547 59.576 58.200 -0.285 0.000 0.982 90 S CB -1.624 61.362 63.200 -0.356 0.000 0.789 90 S HN 0.717 nan 8.310 nan 0.000 0.490 91 T N -0.165 114.313 114.554 -0.126 0.000 2.759 91 T HA -0.059 4.292 4.350 0.001 0.000 0.269 91 T C 1.878 176.500 174.700 -0.130 0.000 1.042 91 T CA 1.635 63.681 62.100 -0.091 0.000 1.140 91 T CB -1.052 67.770 68.868 -0.077 0.000 0.864 91 T HN 0.413 nan 8.240 nan 0.000 0.455 92 S N 0.780 116.323 115.700 -0.262 0.000 2.515 92 S HA 0.178 4.648 4.470 0.001 0.000 0.231 92 S C 1.008 175.385 174.600 -0.373 0.000 0.987 92 S CA 0.399 58.392 58.200 -0.345 0.000 0.936 92 S CB -0.458 62.460 63.200 -0.469 0.000 0.766 92 S HN 0.549 nan 8.310 nan 0.000 0.528 93 F N 1.164 121.081 119.950 -0.055 0.000 2.754 93 F HA 0.307 4.835 4.527 0.001 0.000 0.297 93 F C 1.131 176.932 175.800 0.001 0.000 1.122 93 F CA -0.535 57.457 58.000 -0.014 0.000 1.400 93 F CB -0.379 38.624 39.000 0.005 0.000 1.117 93 F HN 0.070 nan 8.300 nan 0.000 0.587 94 Q N 1.713 121.585 119.800 0.121 0.000 2.274 94 Q HA 0.029 4.370 4.340 0.001 0.000 0.280 94 Q C 0.600 176.639 176.000 0.065 0.000 1.047 94 Q CA 0.592 56.444 55.803 0.081 0.000 0.907 94 Q CB 0.055 28.816 28.738 0.039 0.000 1.171 94 Q HN 0.273 nan 8.270 nan 0.000 0.381 95 E N 2.472 122.710 120.200 0.064 0.000 3.763 95 E HA -0.225 4.125 4.350 0.001 0.000 0.319 95 E C -0.185 176.451 176.600 0.061 0.000 0.804 95 E CA 1.287 57.716 56.400 0.049 0.000 1.196 95 E CB -1.109 28.609 29.700 0.031 0.000 1.607 95 E HN 0.836 nan 8.360 nan 0.000 0.431 96 E N -0.556 119.702 120.200 0.098 0.000 2.713 96 E HA 0.206 4.557 4.350 0.001 0.000 0.201 96 E C 0.611 177.276 176.600 0.108 0.000 0.935 96 E CA 0.296 56.765 56.400 0.115 0.000 1.273 96 E CB 0.730 30.536 29.700 0.176 0.000 1.221 96 E HN 0.011 nan 8.360 nan 0.000 0.547 97 R N 1.364 121.944 120.500 0.135 0.000 2.668 97 R HA 0.310 4.651 4.340 0.001 0.000 0.272 97 R C -1.212 175.119 176.300 0.052 0.000 1.019 97 R CA -0.694 55.438 56.100 0.054 0.000 0.894 97 R CB 1.368 31.655 30.300 -0.021 0.000 1.228 97 R HN -0.027 nan 8.270 nan 0.000 0.460 98 D N 1.537 121.939 120.400 0.003 0.000 2.425 98 D HA 0.108 4.749 4.640 0.001 0.000 0.247 98 D C -0.670 175.620 176.300 -0.015 0.000 1.147 98 D CA 0.703 54.706 54.000 0.005 0.000 0.879 98 D CB 0.312 41.093 40.800 -0.033 0.000 1.179 98 D HN 0.231 nan 8.370 nan 0.000 0.456 99 F N 2.864 122.742 119.950 -0.120 0.000 2.496 99 F HA 0.373 4.901 4.527 0.001 0.000 0.341 99 F C -1.198 174.530 175.800 -0.120 0.000 1.134 99 F CA -0.846 57.047 58.000 -0.179 0.000 0.968 99 F CB 0.660 39.564 39.000 -0.160 0.000 1.205 99 F HN 0.114 nan 8.300 nan 0.000 0.436 100 L N 5.906 126.875 121.223 -0.423 0.000 2.309 100 L HA 0.764 5.105 4.340 0.001 0.000 0.282 100 L C -0.182 176.459 176.870 -0.382 0.000 1.036 100 L CA -0.974 53.711 54.840 -0.260 0.000 0.806 100 L CB 1.726 43.648 42.059 -0.228 0.000 1.220 100 L HN 0.703 nan 8.230 nan 0.000 0.429 101 A N 3.153 125.929 122.820 -0.075 0.000 2.288 101 A HA 0.604 4.925 4.320 0.001 0.000 0.320 101 A C -0.723 176.858 177.584 -0.004 0.000 1.217 101 A CA -0.481 51.557 52.037 0.001 0.000 0.840 101 A CB 1.519 20.695 19.000 0.293 0.000 1.179 101 A HN 0.452 nan 8.150 nan 0.000 0.504 102 V N 5.132 125.027 119.914 -0.032 0.000 2.427 102 V HA 0.523 4.644 4.120 0.001 0.000 0.286 102 V C -2.371 173.736 176.094 0.022 0.000 1.034 102 V CA -2.140 60.149 62.300 -0.019 0.000 0.893 102 V CB 1.671 33.460 31.823 -0.056 0.000 0.982 102 V HN 0.802 nan 8.190 nan 0.000 0.452 103 P HA 0.206 nan 4.420 nan 0.000 0.272 103 P C -1.011 176.291 177.300 0.003 0.000 1.223 103 P CA -0.387 62.720 63.100 0.011 0.000 0.784 103 P CB 0.556 32.274 31.700 0.030 0.000 0.923 104 L N 4.819 126.007 121.223 -0.058 0.000 2.260 104 L HA 0.441 4.781 4.340 0.001 0.000 0.289 104 L C -2.377 174.610 176.870 0.195 0.000 1.057 104 L CA -2.469 52.344 54.840 -0.045 0.000 0.811 104 L CB 0.264 42.102 42.059 -0.369 0.000 1.184 104 L HN 0.233 nan 8.230 nan 0.000 0.429 105 P HA 0.246 nan 4.420 nan 0.000 0.265 105 P C 0.547 178.201 177.300 0.591 0.000 1.187 105 P CA 0.756 64.107 63.100 0.418 0.000 0.766 105 P CB 0.670 32.687 31.700 0.528 0.000 0.820 106 G N 1.128 110.189 108.800 0.434 0.000 2.179 106 G HA2 -0.296 3.665 3.960 0.001 0.000 0.220 106 G HA3 -0.296 3.665 3.960 0.001 0.000 0.220 106 G C 0.465 175.443 174.900 0.130 0.000 0.990 106 G CA -0.237 45.048 45.100 0.308 0.000 0.646 106 G HN 0.524 nan 8.290 nan 0.000 0.517 107 Y N 1.025 121.402 120.300 0.128 0.000 2.444 107 Y HA 0.443 4.994 4.550 0.001 0.000 0.249 107 Y C 2.285 178.220 175.900 0.059 0.000 1.134 107 Y CA -0.015 58.131 58.100 0.077 0.000 1.261 107 Y CB 0.603 39.094 38.460 0.052 0.000 1.143 107 Y HN 0.411 nan 8.280 nan 0.000 0.523 115 T N -0.332 114.241 114.554 0.032 0.000 2.908 115 T HA 0.831 5.181 4.350 0.001 0.000 0.290 115 T C 0.602 175.325 174.700 0.038 0.000 1.034 115 T CA -0.201 61.918 62.100 0.032 0.000 1.010 115 T CB 2.125 71.007 68.868 0.023 0.000 1.068 115 T HN 1.646 nan 8.240 nan 0.000 0.481 116 A N 2.391 125.239 122.820 0.047 0.000 2.531 116 A HA 0.465 4.786 4.320 0.001 0.000 0.236 116 A C 0.535 178.174 177.584 0.093 0.000 1.062 116 A CA -0.463 51.614 52.037 0.066 0.000 0.760 116 A CB -0.479 18.575 19.000 0.090 0.000 0.995 116 A HN 0.858 nan 8.150 nan 0.000 0.501 117 L N 1.991 123.294 121.223 0.133 0.000 2.456 117 L HA 0.129 4.470 4.340 0.001 0.000 0.272 117 L C 0.144 177.221 176.870 0.345 0.000 1.189 117 L CA -0.029 54.946 54.840 0.225 0.000 0.846 117 L CB 0.094 42.334 42.059 0.302 0.000 1.111 117 L HN 0.552 nan 8.230 nan 0.000 0.475 118 L N 4.413 125.754 121.223 0.198 0.000 2.334 118 L HA 0.384 4.725 4.340 0.001 0.000 0.277 118 L C -1.988 174.798 176.870 -0.139 0.000 1.075 118 L CA -2.019 52.875 54.840 0.091 0.000 0.804 118 L CB 1.167 43.188 42.059 -0.064 0.000 1.174 118 L HN 0.359 nan 8.230 nan 0.000 0.438 119 P HA 0.006 nan 4.420 nan 0.000 0.268 119 P C 0.002 177.055 177.300 -0.412 0.000 1.205 119 P CA -0.107 62.462 63.100 -0.885 0.000 0.771 119 P CB 1.126 32.594 31.700 -0.386 0.000 0.858 120 A N 3.394 125.927 122.820 -0.477 0.000 1.930 120 A HA -0.082 4.239 4.320 0.001 0.000 0.217 120 A C 0.607 178.097 177.584 -0.155 0.000 1.175 120 A CA 1.680 53.581 52.037 -0.225 0.000 0.627 120 A CB -0.795 18.082 19.000 -0.205 0.000 0.815 120 A HN 0.726 nan 8.150 nan 0.000 0.443 121 D N -4.225 115.964 120.400 -0.352 0.000 2.626 121 D HA 0.369 5.009 4.640 0.001 0.000 0.278 121 D C 0.280 175.946 176.300 -1.057 0.000 1.211 121 D CA -0.720 52.847 54.000 -0.721 0.000 0.903 121 D CB 0.292 40.835 40.800 -0.429 0.000 1.408 121 D HN -0.121 nan 8.370 nan 0.000 0.454 122 L N 0.474 120.813 121.223 -1.473 0.000 2.046 122 L HA -0.041 4.300 4.340 0.001 0.000 0.208 122 L C 1.166 177.873 176.870 -0.271 0.000 1.077 122 L CA 2.049 56.403 54.840 -0.809 0.000 0.747 122 L CB -0.917 40.830 42.059 -0.519 0.000 0.896 122 L HN 0.469 nan 8.230 nan 0.000 0.432 123 D N -0.987 119.279 120.400 -0.224 0.000 2.133 123 D HA -0.182 4.459 4.640 0.001 0.000 0.195 123 D C 2.040 178.330 176.300 -0.016 0.000 0.997 123 D CA 1.864 55.825 54.000 -0.064 0.000 0.840 123 D CB -0.269 40.502 40.800 -0.049 0.000 0.947 123 D HN 0.394 nan 8.370 nan 0.000 0.452 124 T N 0.597 115.104 114.554 -0.077 0.000 2.720 124 T HA -0.138 4.213 4.350 0.001 0.000 0.268 124 T C 2.022 176.816 174.700 0.158 0.000 1.037 124 T CA 1.624 63.728 62.100 0.008 0.000 1.144 124 T CB -0.292 68.493 68.868 -0.138 0.000 0.864 124 T HN 0.218 nan 8.240 nan 0.000 0.444 125 A N 1.272 124.163 122.820 0.120 0.000 1.898 125 A HA 0.065 4.386 4.320 0.001 0.000 0.216 125 A C 2.331 180.056 177.584 0.235 0.000 1.181 125 A CA 1.060 53.284 52.037 0.311 0.000 0.620 125 A CB -0.835 18.398 19.000 0.389 0.000 0.819 125 A HN 0.468 nan 8.150 nan 0.000 0.442 126 L N -0.419 120.901 121.223 0.160 0.000 2.042 126 L HA -0.217 4.124 4.340 0.001 0.000 0.210 126 L C 2.081 179.009 176.870 0.096 0.000 1.076 126 L CA 1.525 56.437 54.840 0.120 0.000 0.749 126 L CB -0.754 41.369 42.059 0.108 0.000 0.893 126 L HN 0.299 nan 8.230 nan 0.000 0.432 127 D N 0.188 120.674 120.400 0.143 0.000 2.117 127 D HA -0.138 4.503 4.640 0.001 0.000 0.197 127 D C 2.249 178.611 176.300 0.103 0.000 0.987 127 D CA 1.483 55.591 54.000 0.179 0.000 0.829 127 D CB -0.024 40.905 40.800 0.215 0.000 0.961 127 D HN 0.306 nan 8.370 nan 0.000 0.460 128 A N 0.759 123.659 122.820 0.134 0.000 1.902 128 A HA -0.229 4.091 4.320 0.001 0.000 0.217 128 A C 2.126 179.729 177.584 0.032 0.000 1.181 128 A CA 1.451 53.542 52.037 0.091 0.000 0.623 128 A CB -0.582 18.494 19.000 0.127 0.000 0.818 128 A HN 0.222 nan 8.150 nan 0.000 0.443 129 Q N -0.741 119.083 119.800 0.040 0.000 2.079 129 Q HA -0.061 4.280 4.340 0.001 0.000 0.200 129 Q C 2.481 178.434 176.000 -0.078 0.000 0.974 129 Q CA 1.160 56.960 55.803 -0.005 0.000 0.840 129 Q CB -0.388 28.360 28.738 0.017 0.000 0.898 129 Q HN 0.677 nan 8.270 nan 0.000 0.430 130 A N 1.675 124.409 122.820 -0.143 0.000 1.873 130 A HA -0.257 4.064 4.320 0.001 0.000 0.218 130 A C 2.043 179.468 177.584 -0.265 0.000 1.193 130 A CA 1.665 53.514 52.037 -0.313 0.000 0.629 130 A CB -0.542 18.023 19.000 -0.725 0.000 0.826 130 A HN 0.239 nan 8.150 nan 0.000 0.447 131 R N -0.622 119.764 120.500 -0.189 0.000 2.091 131 R HA -0.118 4.223 4.340 0.001 0.000 0.238 131 R C 2.469 178.729 176.300 -0.068 0.000 1.136 131 R CA 1.335 57.383 56.100 -0.087 0.000 0.959 131 R CB -0.525 29.769 30.300 -0.010 0.000 0.856 131 R HN 0.532 nan 8.270 nan 0.000 0.437 132 A N 1.037 123.820 122.820 -0.061 0.000 1.930 132 A HA -0.113 4.208 4.320 0.001 0.000 0.217 132 A C 2.154 179.697 177.584 -0.067 0.000 1.175 132 A CA 1.136 53.142 52.037 -0.052 0.000 0.627 132 A CB -0.390 18.586 19.000 -0.040 0.000 0.815 132 A HN 0.181 nan 8.150 nan 0.000 0.443 133 I N -0.391 120.125 120.570 -0.090 0.000 2.252 133 I HA -0.227 3.944 4.170 0.001 0.000 0.245 133 I C 2.297 178.356 176.117 -0.097 0.000 1.102 133 I CA 0.973 62.211 61.300 -0.103 0.000 1.385 133 I CB -0.242 37.684 38.000 -0.124 0.000 1.064 133 I HN 0.281 nan 8.210 nan 0.000 0.414 134 L N 0.588 121.751 121.223 -0.100 0.000 2.083 134 L HA -0.183 4.158 4.340 0.001 0.000 0.209 134 L C 2.755 179.590 176.870 -0.058 0.000 1.083 134 L CA 1.376 56.168 54.840 -0.080 0.000 0.752 134 L CB -0.613 41.399 42.059 -0.077 0.000 0.899 134 L HN 0.326 nan 8.230 nan 0.000 0.433 135 R N 0.328 120.798 120.500 -0.051 0.000 2.115 135 R HA 0.009 4.349 4.340 0.001 0.000 0.226 135 R C 2.218 178.493 176.300 -0.042 0.000 1.100 135 R CA 1.058 57.134 56.100 -0.039 0.000 0.980 135 R CB -0.616 29.666 30.300 -0.030 0.000 0.875 135 R HN 0.180 nan 8.270 nan 0.000 0.445 136 A N 1.397 124.186 122.820 -0.052 0.000 1.929 136 A HA 0.166 4.487 4.320 0.001 0.000 0.216 136 A C 2.392 179.940 177.584 -0.059 0.000 1.176 136 A CA 1.202 53.208 52.037 -0.053 0.000 0.628 136 A CB -0.461 18.503 19.000 -0.060 0.000 0.816 136 A HN 0.477 nan 8.150 nan 0.000 0.444 137 A N -1.661 121.117 122.820 -0.070 0.000 1.935 137 A HA 0.418 4.738 4.320 0.001 0.000 0.214 137 A C 2.097 179.646 177.584 -0.060 0.000 1.178 137 A CA 1.558 53.550 52.037 -0.074 0.000 0.640 137 A CB -1.029 17.916 19.000 -0.091 0.000 0.825 137 A HN 1.877 nan 8.150 nan 0.000 0.447 138 G N -0.345 108.424 108.800 -0.052 0.000 2.557 138 G HA2 -0.427 3.534 3.960 0.001 0.000 0.292 138 G HA3 -0.427 3.534 3.960 0.001 0.000 0.292 138 G C 0.578 175.452 174.900 -0.043 0.000 1.162 138 G CA 0.918 45.992 45.100 -0.042 0.000 0.964 138 G HN 0.378 nan 8.290 nan 0.000 0.541 139 D N 1.723 122.099 120.400 -0.041 0.000 2.305 139 D HA 0.503 5.143 4.640 0.001 0.000 0.206 139 D C 1.658 177.929 176.300 -0.048 0.000 0.974 139 D CA 1.041 55.017 54.000 -0.040 0.000 0.871 139 D CB -0.041 40.738 40.800 -0.035 0.000 0.947 139 D HN 0.810 nan 8.370 nan 0.000 0.516 140 A N 1.345 124.132 122.820 -0.054 0.000 2.498 140 A HA 0.329 4.650 4.320 0.001 0.000 0.239 140 A C -2.169 175.371 177.584 -0.073 0.000 1.068 140 A CA -0.896 51.103 52.037 -0.063 0.000 0.766 140 A CB -0.049 18.910 19.000 -0.068 0.000 1.003 140 A HN -0.011 nan 8.150 nan 0.000 0.497 141 P HA 0.338 nan 4.420 nan 0.000 0.271 141 P C -0.864 176.375 177.300 -0.103 0.000 1.218 141 P CA -0.188 62.860 63.100 -0.087 0.000 0.780 141 P CB 0.779 32.424 31.700 -0.092 0.000 0.901 142 V N 3.553 123.404 119.914 -0.106 0.000 2.459 142 V HA 0.278 4.399 4.120 0.001 0.000 0.295 142 V C -0.066 175.957 176.094 -0.117 0.000 1.029 142 V CA -0.614 61.611 62.300 -0.125 0.000 0.874 142 V CB 2.119 33.867 31.823 -0.124 0.000 0.985 142 V HN 0.215 nan 8.190 nan 0.000 0.438 143 V N 6.636 126.470 119.914 -0.134 0.000 2.384 143 V HA 0.447 4.567 4.120 0.001 0.000 0.287 143 V C -0.043 175.966 176.094 -0.142 0.000 1.020 143 V CA -0.487 61.758 62.300 -0.093 0.000 0.850 143 V CB 1.565 33.359 31.823 -0.047 0.000 0.987 143 V HN 0.622 nan 8.190 nan 0.000 0.436 144 L N 5.739 126.897 121.223 -0.110 0.000 2.350 144 L HA 0.611 4.951 4.340 0.001 0.000 0.275 144 L C -0.386 176.403 176.870 -0.134 0.000 1.099 144 L CA -0.292 54.460 54.840 -0.147 0.000 0.808 144 L CB 1.296 43.293 42.059 -0.104 0.000 1.149 144 L HN 0.494 nan 8.230 nan 0.000 0.442 145 L N 1.817 122.932 121.223 -0.181 0.000 2.436 145 L HA 0.879 5.220 4.340 0.001 0.000 0.268 145 L C -0.533 176.314 176.870 -0.038 0.000 0.974 145 L CA -0.041 54.733 54.840 -0.111 0.000 0.826 145 L CB 1.949 43.942 42.059 -0.111 0.000 1.291 145 L HN 0.653 nan 8.230 nan 0.000 0.406 146 G N 1.610 110.450 108.800 0.066 0.000 2.690 146 G HA2 0.329 4.290 3.960 0.001 0.000 0.293 146 G HA3 0.329 4.290 3.960 0.001 0.000 0.293 146 G C -2.297 172.743 174.900 0.233 0.000 1.399 146 G CA -0.444 44.776 45.100 0.200 0.000 0.890 146 G HN 0.740 nan 8.290 nan 0.000 0.485 147 H N 0.918 120.084 119.070 0.160 0.000 2.505 147 H HA 0.558 5.115 4.556 0.001 0.000 0.338 147 H C 0.698 176.069 175.328 0.071 0.000 1.057 147 H CA 0.401 56.498 56.048 0.082 0.000 1.202 147 H CB 1.752 31.549 29.762 0.059 0.000 1.466 147 H HN 0.889 nan 8.280 nan 0.000 0.499 148 S N 2.793 118.342 115.700 -0.251 0.000 4.116 148 S HA -0.314 4.157 4.470 0.001 0.000 0.623 148 S C 1.878 176.518 174.600 0.066 0.000 1.933 148 S CA 1.643 59.778 58.200 -0.108 0.000 4.224 148 S CB -1.678 61.337 63.200 -0.308 0.000 0.208 148 S HN 1.052 nan 8.310 nan 0.000 0.527 149 G N 0.932 109.783 108.800 0.085 0.000 2.469 149 G HA2 0.016 3.977 3.960 0.001 0.000 0.220 149 G HA3 0.016 3.977 3.960 0.001 0.000 0.220 149 G C 1.627 176.582 174.900 0.092 0.000 1.136 149 G CA 1.313 46.483 45.100 0.117 0.000 0.759 149 G HN 1.486 nan 8.290 nan 0.000 0.562 150 G N 0.787 109.622 108.800 0.059 0.000 2.448 150 G HA2 0.099 4.060 3.960 0.001 0.000 0.219 150 G HA3 0.099 4.060 3.960 0.001 0.000 0.219 150 G C 1.942 176.899 174.900 0.095 0.000 1.127 150 G CA 1.385 46.532 45.100 0.079 0.000 0.766 150 G HN 0.640 nan 8.290 nan 0.000 0.552 151 A N 0.716 123.585 122.820 0.082 0.000 1.898 151 A HA 0.145 4.466 4.320 0.001 0.000 0.216 151 A C 2.390 179.997 177.584 0.038 0.000 1.181 151 A CA 1.029 53.083 52.037 0.029 0.000 0.620 151 A CB -0.341 18.658 19.000 -0.002 0.000 0.819 151 A HN 0.338 nan 8.150 nan 0.000 0.442 152 L N -0.714 120.585 121.223 0.128 0.000 2.083 152 L HA -0.174 4.167 4.340 0.001 0.000 0.209 152 L C 2.522 179.523 176.870 0.219 0.000 1.083 152 L CA 1.039 56.012 54.840 0.222 0.000 0.752 152 L CB -0.640 41.566 42.059 0.246 0.000 0.899 152 L HN 0.353 nan 8.230 nan 0.000 0.433 153 L N -0.333 120.988 121.223 0.164 0.000 2.093 153 L HA -0.153 4.188 4.340 0.001 0.000 0.208 153 L C 2.893 179.829 176.870 0.110 0.000 1.085 153 L CA 0.966 55.895 54.840 0.148 0.000 0.755 153 L CB -0.628 41.493 42.059 0.104 0.000 0.904 153 L HN 0.224 nan 8.230 nan 0.000 0.435 154 A N -0.802 122.063 122.820 0.076 0.000 1.877 154 A HA -0.287 4.034 4.320 0.001 0.000 0.216 154 A C 2.311 179.920 177.584 0.042 0.000 1.186 154 A CA 1.769 53.823 52.037 0.028 0.000 0.620 154 A CB -0.918 18.074 19.000 -0.013 0.000 0.822 154 A HN 0.509 nan 8.150 nan 0.000 0.443 155 H N -0.205 118.865 119.070 -0.000 0.000 2.353 155 H HA -0.101 4.455 4.556 0.001 0.000 0.300 155 H C 1.745 177.171 175.328 0.164 0.000 1.090 155 H CA 1.775 57.864 56.048 0.068 0.000 1.327 155 H CB 0.027 29.855 29.762 0.111 0.000 1.383 155 H HN 0.415 nan 8.280 nan 0.000 0.508 156 E N 0.828 121.119 120.200 0.152 0.000 2.077 156 E HA -0.138 4.213 4.350 0.001 0.000 0.193 156 E C 2.500 179.155 176.600 0.090 0.000 0.989 156 E CA 0.481 56.957 56.400 0.128 0.000 0.800 156 E CB -0.554 29.257 29.700 0.186 0.000 0.746 156 E HN 0.369 nan 8.360 nan 0.000 0.452 157 L N 1.033 122.294 121.223 0.063 0.000 2.017 157 L HA -0.076 4.264 4.340 0.001 0.000 0.208 157 L C 2.218 179.085 176.870 -0.004 0.000 1.073 157 L CA 2.079 56.939 54.840 0.034 0.000 0.745 157 L CB -0.918 41.148 42.059 0.011 0.000 0.894 157 L HN 0.055 nan 8.230 nan 0.000 0.432 158 A N -0.849 121.946 122.820 -0.040 0.000 1.892 158 A HA -0.315 4.006 4.320 0.001 0.000 0.218 158 A C 2.332 179.885 177.584 -0.051 0.000 1.188 158 A CA 2.144 54.144 52.037 -0.061 0.000 0.631 158 A CB -1.321 17.634 19.000 -0.076 0.000 0.822 158 A HN 0.569 nan 8.150 nan 0.000 0.447 159 F N 0.316 120.143 119.950 -0.205 0.000 2.134 159 F HA -0.165 4.362 4.527 0.001 0.000 0.299 159 F C 2.339 178.119 175.800 -0.034 0.000 1.097 159 F CA 2.171 60.092 58.000 -0.130 0.000 1.264 159 F CB -0.099 38.809 39.000 -0.153 0.000 1.001 159 F HN 0.199 nan 8.300 nan 0.000 0.479 160 R N 0.661 121.208 120.500 0.079 0.000 2.092 160 R HA -0.094 4.247 4.340 0.001 0.000 0.231 160 R C 2.092 178.437 176.300 0.075 0.000 1.119 160 R CA 1.606 57.746 56.100 0.067 0.000 0.970 160 R CB -0.867 29.525 30.300 0.154 0.000 0.864 160 R HN 0.454 nan 8.270 nan 0.000 0.440 161 L N 0.076 121.313 121.223 0.024 0.000 2.017 161 L HA -0.169 4.172 4.340 0.001 0.000 0.208 161 L C 2.546 179.408 176.870 -0.015 0.000 1.073 161 L CA 2.053 56.907 54.840 0.022 0.000 0.745 161 L CB -0.510 41.511 42.059 -0.064 0.000 0.894 161 L HN 0.380 nan 8.230 nan 0.000 0.432 162 E N -0.116 120.008 120.200 -0.126 0.000 2.051 162 E HA -0.291 4.060 4.350 0.001 0.000 0.192 162 E C 2.297 178.750 176.600 -0.245 0.000 0.991 162 E CA 1.239 57.531 56.400 -0.179 0.000 0.799 162 E CB 0.111 29.681 29.700 -0.217 0.000 0.748 162 E HN 0.155 nan 8.360 nan 0.000 0.449 163 R N 0.238 120.486 120.500 -0.419 0.000 2.061 163 R HA -0.026 4.315 4.340 0.001 0.000 0.230 163 R C 1.854 178.025 176.300 -0.215 0.000 1.140 163 R CA 2.054 57.916 56.100 -0.396 0.000 0.940 163 R CB -0.535 29.408 30.300 -0.596 0.000 0.839 163 R HN 0.184 nan 8.270 nan 0.000 0.429 164 A N -1.448 121.262 122.820 -0.183 0.000 2.220 164 A HA 0.126 4.447 4.320 0.001 0.000 0.211 164 A C 0.842 178.153 177.584 -0.455 0.000 1.176 164 A CA 0.395 52.264 52.037 -0.280 0.000 0.834 164 A CB -0.071 18.751 19.000 -0.297 0.000 0.868 164 A HN 0.494 nan 8.150 nan 0.000 0.488 165 H N -1.285 117.735 119.070 -0.083 0.000 2.923 165 H HA 0.229 4.786 4.556 0.001 0.000 0.268 165 H C 1.347 176.634 175.328 -0.067 0.000 1.148 165 H CA 0.263 56.273 56.048 -0.063 0.000 1.146 165 H CB 0.428 30.157 29.762 -0.055 0.000 1.607 165 H HN 0.540 nan 8.280 nan 0.000 0.566 166 G N 1.897 110.691 108.800 -0.011 0.000 2.321 166 G HA2 -0.240 3.721 3.960 0.001 0.000 0.287 166 G HA3 -0.240 3.721 3.960 0.001 0.000 0.287 166 G C 0.342 175.230 174.900 -0.021 0.000 1.018 166 G CA 0.550 45.631 45.100 -0.032 0.000 0.855 166 G HN 0.614 nan 8.290 nan 0.000 0.507 167 A N 0.153 122.964 122.820 -0.015 0.000 3.370 167 A HA 0.711 5.031 4.320 0.001 0.000 0.295 167 A C -1.898 175.660 177.584 -0.043 0.000 1.030 167 A CA -0.780 51.242 52.037 -0.025 0.000 0.883 167 A CB 1.439 20.431 19.000 -0.015 0.000 1.191 167 A HN 0.237 nan 8.150 nan 0.000 0.507 168 P HA 0.238 nan 4.420 nan 0.000 0.268 168 P C -2.523 174.747 177.300 -0.050 0.000 1.204 168 P CA -0.517 62.551 63.100 -0.053 0.000 0.768 168 P CB 0.287 31.961 31.700 -0.044 0.000 0.842 169 P HA 0.059 nan 4.420 nan 0.000 0.273 169 P C 0.490 177.762 177.300 -0.047 0.000 1.250 169 P CA -0.205 62.861 63.100 -0.055 0.000 0.793 169 P CB 0.471 32.138 31.700 -0.055 0.000 1.011 170 A N 0.308 123.089 122.820 -0.065 0.000 2.119 170 A HA 0.397 4.718 4.320 0.001 0.000 0.216 170 A C 1.048 178.588 177.584 -0.075 0.000 1.152 170 A CA 1.351 53.338 52.037 -0.084 0.000 0.708 170 A CB -0.804 18.126 19.000 -0.116 0.000 0.805 170 A HN 0.784 nan 8.150 nan 0.000 0.460 171 G N -1.567 107.229 108.800 -0.006 0.000 2.466 171 G HA2 0.495 4.456 3.960 0.001 0.000 0.291 171 G HA3 0.495 4.456 3.960 0.001 0.000 0.291 171 G C -1.544 173.443 174.900 0.144 0.000 1.460 171 G CA -0.659 44.524 45.100 0.139 0.000 0.791 171 G HN 0.262 nan 8.290 nan 0.000 0.505 172 I N 0.095 120.772 120.570 0.178 0.000 2.569 172 I HA 0.464 4.635 4.170 0.001 0.000 0.290 172 I C -0.486 175.551 176.117 -0.135 0.000 1.088 172 I CA -1.191 60.108 61.300 -0.000 0.000 1.047 172 I CB 2.434 40.400 38.000 -0.057 0.000 1.237 172 I HN 0.227 nan 8.210 nan 0.000 0.421 173 V N 6.874 126.702 119.914 -0.143 0.000 2.350 173 V HA 0.394 4.515 4.120 0.001 0.000 0.276 173 V C -0.029 175.939 176.094 -0.210 0.000 1.028 173 V CA -0.428 61.733 62.300 -0.231 0.000 0.860 173 V CB 1.364 33.126 31.823 -0.102 0.000 0.990 173 V HN 0.462 nan 8.190 nan 0.000 0.453 174 L N 6.007 127.049 121.223 -0.302 0.000 2.277 174 L HA 0.502 4.843 4.340 0.001 0.000 0.284 174 L C -0.475 176.303 176.870 -0.154 0.000 1.028 174 L CA -0.617 54.054 54.840 -0.283 0.000 0.835 174 L CB 1.585 43.312 42.059 -0.553 0.000 1.215 174 L HN 0.362 nan 8.230 nan 0.000 0.425 175 V N 2.267 122.171 119.914 -0.017 0.000 2.334 175 V HA 0.125 4.246 4.120 0.001 0.000 0.267 175 V C 0.024 176.216 176.094 0.162 0.000 1.040 175 V CA -0.315 62.035 62.300 0.083 0.000 0.866 175 V CB 0.770 32.687 31.823 0.157 0.000 1.019 175 V HN 0.799 nan 8.190 nan 0.000 0.468 176 D N 3.884 124.343 120.400 0.098 0.000 2.735 176 D HA -0.116 4.525 4.640 0.001 0.000 0.235 176 D C -2.255 174.115 176.300 0.118 0.000 1.175 176 D CA 0.424 54.505 54.000 0.133 0.000 0.683 176 D CB -0.003 40.989 40.800 0.321 0.000 1.008 176 D HN 0.485 nan 8.370 nan 0.000 0.416 177 P HA 0.162 nan 4.420 nan 0.000 0.279 177 P C -0.791 176.484 177.300 -0.042 0.000 1.239 177 P CA -0.166 62.982 63.100 0.079 0.000 0.789 177 P CB 0.435 32.196 31.700 0.101 0.000 0.933 178 Y N 3.397 123.809 120.300 0.186 0.000 2.787 178 Y HA 0.293 4.843 4.550 0.001 0.000 0.352 178 Y C -1.913 174.087 175.900 0.167 0.000 1.027 178 Y CA -2.159 56.033 58.100 0.153 0.000 1.219 178 Y CB 1.409 39.915 38.460 0.077 0.000 1.110 178 Y HN 0.296 nan 8.280 nan 0.000 0.614 179 P HA 0.223 nan 4.420 nan 0.000 0.279 179 P C -2.729 174.680 177.300 0.182 0.000 1.252 179 P CA -2.084 61.132 63.100 0.192 0.000 0.811 179 P CB 0.874 32.581 31.700 0.011 0.000 1.035 180 P HA -0.078 nan 4.420 nan 0.000 0.263 180 P C 1.167 178.519 177.300 0.087 0.000 1.162 180 P CA 1.969 65.122 63.100 0.089 0.000 0.758 180 P CB -0.386 31.345 31.700 0.052 0.000 0.773 181 G N 2.242 111.047 108.800 0.008 0.000 2.225 181 G HA2 -0.256 3.705 3.960 0.001 0.000 0.254 181 G HA3 -0.256 3.705 3.960 0.001 0.000 0.254 181 G C 0.535 175.195 174.900 -0.401 0.000 0.988 181 G CA -0.066 44.940 45.100 -0.158 0.000 0.625 181 G HN 0.743 nan 8.290 nan 0.000 0.527 182 H N -0.401 118.664 119.070 -0.008 0.000 2.665 182 H HA 0.273 4.830 4.556 0.001 0.000 0.248 182 H C 1.403 176.813 175.328 0.138 0.000 1.175 182 H CA 0.110 56.164 56.048 0.009 0.000 0.952 182 H CB 0.536 30.274 29.762 -0.041 0.000 1.883 182 H HN 0.524 nan 8.280 nan 0.000 0.623 183 Q N 0.315 120.210 119.800 0.159 0.000 2.319 183 Q HA 0.027 4.368 4.340 0.001 0.000 0.202 183 Q C 1.695 177.685 176.000 -0.016 0.000 0.896 183 Q CA -0.078 55.799 55.803 0.123 0.000 0.942 183 Q CB 0.914 29.711 28.738 0.099 0.000 1.083 183 Q HN 0.427 nan 8.270 nan 0.000 0.510 184 E N 1.287 121.489 120.200 0.003 0.000 2.070 184 E HA -0.199 4.152 4.350 0.001 0.000 0.197 184 E C -0.913 175.610 176.600 -0.128 0.000 1.004 184 E CA 1.324 57.719 56.400 -0.007 0.000 0.805 184 E CB -0.291 29.462 29.700 0.089 0.000 0.744 184 E HN 0.284 nan 8.360 nan 0.000 0.451 185 P HA -0.147 nan 4.420 nan 0.000 0.216 185 P C 1.609 178.326 177.300 -0.972 0.000 1.153 185 P CA 1.509 64.032 63.100 -0.963 0.000 0.848 185 P CB -0.284 30.712 31.700 -1.173 0.000 0.787 186 I N -2.626 117.497 120.570 -0.746 0.000 2.546 186 I HA -0.081 4.090 4.170 0.001 0.000 0.255 186 I C 1.885 177.868 176.117 -0.223 0.000 1.163 186 I CA 1.388 62.384 61.300 -0.506 0.000 1.457 186 I CB -0.999 36.647 38.000 -0.590 0.000 1.092 186 I HN -0.132 nan 8.210 nan 0.000 0.434 187 E N 1.616 121.719 120.200 -0.162 0.000 2.028 187 E HA -0.135 4.216 4.350 0.001 0.000 0.191 187 E C 2.437 179.021 176.600 -0.027 0.000 0.988 187 E CA 1.501 57.879 56.400 -0.037 0.000 0.799 187 E CB -0.204 29.491 29.700 -0.008 0.000 0.755 187 E HN 0.358 nan 8.360 nan 0.000 0.447 188 V N 0.548 120.405 119.914 -0.096 0.000 2.392 188 V HA -0.205 3.916 4.120 0.001 0.000 0.249 188 V C 1.174 177.312 176.094 0.074 0.000 1.059 188 V CA 1.254 63.523 62.300 -0.051 0.000 1.051 188 V CB -0.322 31.449 31.823 -0.087 0.000 0.658 188 V HN 0.435 nan 8.190 nan 0.000 0.455 189 W N 0.107 121.389 121.300 -0.031 0.000 3.305 189 W HA 0.280 4.941 4.660 0.001 0.000 0.392 189 W C 2.255 178.690 176.519 -0.139 0.000 1.121 189 W CA 0.135 57.430 57.345 -0.083 0.000 1.909 189 W CB -1.281 28.092 29.460 -0.146 0.000 1.065 189 W HN 0.466 nan 8.180 nan 0.000 0.714 190 S N 0.072 115.796 115.700 0.040 0.000 2.399 190 S HA -0.251 4.220 4.470 0.001 0.000 0.231 190 S C 1.949 176.418 174.600 -0.217 0.000 1.022 190 S CA 1.139 59.237 58.200 -0.170 0.000 0.983 190 S CB -0.274 62.939 63.200 0.022 0.000 0.803 190 S HN 0.345 nan 8.310 nan 0.000 0.480 191 R N 0.910 121.407 120.500 -0.004 0.000 2.073 191 R HA -0.102 4.239 4.340 0.001 0.000 0.234 191 R C 2.487 178.789 176.300 0.003 0.000 1.134 191 R CA 1.699 57.809 56.100 0.018 0.000 0.952 191 R CB -0.363 29.967 30.300 0.050 0.000 0.850 191 R HN 0.363 nan 8.270 nan 0.000 0.433 192 Q N 0.540 120.359 119.800 0.031 0.000 2.096 192 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 192 Q C 2.068 178.162 176.000 0.158 0.000 0.982 192 Q CA 1.563 57.406 55.803 0.066 0.000 0.850 192 Q CB -0.239 28.516 28.738 0.028 0.000 0.901 192 Q HN 0.386 nan 8.270 nan 0.000 0.422 193 L N -0.868 120.397 121.223 0.069 0.000 2.017 193 L HA -0.139 4.201 4.340 0.001 0.000 0.208 193 L C 2.241 179.161 176.870 0.084 0.000 1.073 193 L CA 1.355 56.269 54.840 0.124 0.000 0.745 193 L CB -1.021 40.894 42.059 -0.240 0.000 0.894 193 L HN 0.404 nan 8.230 nan 0.000 0.432 194 G N -0.513 108.233 108.800 -0.091 0.000 2.421 194 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 194 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 194 G C 1.410 176.414 174.900 0.174 0.000 1.171 194 G CA 0.522 45.732 45.100 0.184 0.000 0.775 194 G HN 0.397 nan 8.290 nan 0.000 0.543 195 E N 0.202 120.456 120.200 0.090 0.000 2.077 195 E HA -0.078 4.272 4.350 0.001 0.000 0.193 195 E C 2.779 179.393 176.600 0.024 0.000 0.989 195 E CA 0.610 57.051 56.400 0.068 0.000 0.800 195 E CB -0.353 29.354 29.700 0.011 0.000 0.746 195 E HN 0.395 nan 8.360 nan 0.000 0.452 196 G N 1.450 110.204 108.800 -0.076 0.000 2.440 196 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 196 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 196 G C 1.590 176.316 174.900 -0.291 0.000 1.154 196 G CA 0.595 45.422 45.100 -0.456 0.000 0.767 196 G HN 0.094 nan 8.290 nan 0.000 0.552 197 L N -0.995 120.199 121.223 -0.048 0.000 2.046 197 L HA 0.007 4.348 4.340 0.001 0.000 0.208 197 L C 2.719 179.530 176.870 -0.098 0.000 1.077 197 L CA 0.920 55.751 54.840 -0.016 0.000 0.747 197 L CB -0.399 41.733 42.059 0.121 0.000 0.896 197 L HN 0.165 nan 8.230 nan 0.000 0.432 198 F N -0.300 119.654 119.950 0.007 0.000 2.146 198 F HA -0.157 4.371 4.527 0.001 0.000 0.298 198 F C 2.601 178.378 175.800 -0.038 0.000 1.096 198 F CA 1.092 59.087 58.000 -0.008 0.000 1.275 198 F CB -0.598 38.374 39.000 -0.046 0.000 1.008 198 F HN -0.003 nan 8.300 nan 0.000 0.480 199 A N 0.039 122.911 122.820 0.087 0.000 1.933 199 A HA -0.085 4.236 4.320 0.001 0.000 0.218 199 A C 2.360 179.920 177.584 -0.039 0.000 1.175 199 A CA 1.694 53.728 52.037 -0.004 0.000 0.628 199 A CB -1.506 17.453 19.000 -0.068 0.000 0.814 199 A HN 0.381 nan 8.150 nan 0.000 0.444 200 G N -0.571 108.186 108.800 -0.071 0.000 3.026 200 G HA2 0.186 4.146 3.960 0.001 0.000 0.208 200 G HA3 0.186 4.146 3.960 0.001 0.000 0.208 200 G C 0.286 175.177 174.900 -0.015 0.000 1.169 200 G CA -0.267 44.800 45.100 -0.055 0.000 0.788 200 G HN 0.599 nan 8.290 nan 0.000 0.533 201 E N -0.111 120.084 120.200 -0.009 0.000 2.344 201 E HA 0.252 4.603 4.350 0.001 0.000 0.270 201 E C 0.687 177.271 176.600 -0.026 0.000 1.021 201 E CA -0.255 56.142 56.400 -0.004 0.000 0.887 201 E CB 1.274 30.990 29.700 0.026 0.000 0.997 201 E HN 0.160 nan 8.360 nan 0.000 0.429 202 L N 2.476 123.664 121.223 -0.058 0.000 2.425 202 L HA 0.123 4.464 4.340 0.001 0.000 0.215 202 L C 0.885 177.730 176.870 -0.041 0.000 1.065 202 L CA 0.348 55.136 54.840 -0.087 0.000 0.842 202 L CB 0.161 42.103 42.059 -0.195 0.000 1.033 202 L HN 0.566 nan 8.230 nan 0.000 0.474 203 E N -0.505 119.686 120.200 -0.016 0.000 2.446 203 E HA 0.418 4.768 4.350 0.001 0.000 0.276 203 E C -2.766 173.855 176.600 0.035 0.000 0.969 203 E CA -2.493 53.914 56.400 0.012 0.000 0.800 203 E CB 1.314 31.022 29.700 0.013 0.000 1.341 203 E HN -0.268 nan 8.360 nan 0.000 0.460 204 P HA 0.053 nan 4.420 nan 0.000 0.267 204 P C -0.375 176.966 177.300 0.069 0.000 1.209 204 P CA 0.368 63.515 63.100 0.078 0.000 0.763 204 P CB 0.264 32.018 31.700 0.090 0.000 0.816 205 M N 2.075 121.706 119.600 0.053 0.000 2.338 205 M HA -0.019 4.461 4.480 0.001 0.000 0.360 205 M C 0.966 177.310 176.300 0.073 0.000 1.547 205 M CA 0.632 55.958 55.300 0.044 0.000 1.001 205 M CB -0.255 32.340 32.600 -0.008 0.000 2.008 205 M HN 0.404 nan 8.290 nan 0.000 0.464 206 S N 1.724 117.462 115.700 0.062 0.000 2.593 206 S HA 0.109 4.580 4.470 0.001 0.000 0.269 206 S C 0.466 175.096 174.600 0.051 0.000 1.334 206 S CA -0.789 57.449 58.200 0.063 0.000 1.015 206 S CB 1.001 64.229 63.200 0.048 0.000 0.912 206 S HN 0.648 nan 8.310 nan 0.000 0.541 207 D N 1.725 122.174 120.400 0.082 0.000 2.144 207 D HA -0.007 4.634 4.640 0.001 0.000 0.199 207 D C 2.219 178.459 176.300 -0.099 0.000 0.984 207 D CA 1.760 55.801 54.000 0.068 0.000 0.834 207 D CB -0.844 40.100 40.800 0.240 0.000 0.955 207 D HN 0.714 nan 8.370 nan 0.000 0.465 208 A N 0.798 123.580 122.820 -0.064 0.000 1.908 208 A HA -0.204 4.117 4.320 0.001 0.000 0.218 208 A C 2.160 179.626 177.584 -0.197 0.000 1.181 208 A CA 1.420 53.387 52.037 -0.117 0.000 0.627 208 A CB -0.420 18.546 19.000 -0.056 0.000 0.818 208 A HN 0.129 nan 8.150 nan 0.000 0.445 209 R N -0.853 119.554 120.500 -0.155 0.000 2.153 209 R HA 0.116 4.456 4.340 0.001 0.000 0.218 209 R C 1.974 178.141 176.300 -0.221 0.000 1.072 209 R CA 0.916 56.884 56.100 -0.220 0.000 0.990 209 R CB -0.362 29.928 30.300 -0.017 0.000 0.889 209 R HN 0.501 nan 8.270 nan 0.000 0.452 210 L N 0.463 121.577 121.223 -0.182 0.000 2.093 210 L HA -0.169 4.172 4.340 0.001 0.000 0.208 210 L C 2.214 178.882 176.870 -0.336 0.000 1.085 210 L CA 1.162 55.862 54.840 -0.235 0.000 0.755 210 L CB -0.320 41.631 42.059 -0.180 0.000 0.904 210 L HN 0.185 nan 8.230 nan 0.000 0.435 211 L N -0.616 120.368 121.223 -0.399 0.000 2.056 211 L HA -0.174 4.167 4.340 0.001 0.000 0.207 211 L C 2.884 179.547 176.870 -0.345 0.000 1.078 211 L CA 1.069 55.653 54.840 -0.426 0.000 0.749 211 L CB -0.711 41.090 42.059 -0.430 0.000 0.901 211 L HN 0.233 nan 8.230 nan 0.000 0.433 212 A N -0.170 122.433 122.820 -0.363 0.000 1.883 212 A HA -0.302 4.018 4.320 0.001 0.000 0.217 212 A C 2.352 179.858 177.584 -0.131 0.000 1.186 212 A CA 2.134 53.952 52.037 -0.365 0.000 0.624 212 A CB -0.594 17.885 19.000 -0.869 0.000 0.822 212 A HN 0.432 nan 8.150 nan 0.000 0.444 213 M N -0.325 119.200 119.600 -0.124 0.000 2.080 213 M HA -0.134 4.347 4.480 0.001 0.000 0.260 213 M C 2.079 178.355 176.300 -0.040 0.000 1.068 213 M CA 2.080 57.414 55.300 0.056 0.000 1.109 213 M CB -0.485 32.129 32.600 0.023 0.000 1.342 213 M HN 0.411 nan 8.290 nan 0.000 0.405 214 G N -0.131 108.557 108.800 -0.187 0.000 2.418 214 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 214 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 214 G C 1.547 176.288 174.900 -0.265 0.000 1.158 214 G CA 1.014 45.976 45.100 -0.231 0.000 0.771 214 G HN 0.507 nan 8.290 nan 0.000 0.545 215 R N -0.892 119.395 120.500 -0.356 0.000 2.083 215 R HA -0.103 4.238 4.340 0.001 0.000 0.237 215 R C 2.326 178.096 176.300 -0.884 0.000 1.137 215 R CA 1.485 57.209 56.100 -0.627 0.000 0.951 215 R CB -0.460 29.433 30.300 -0.677 0.000 0.851 215 R HN 0.467 nan 8.270 nan 0.000 0.434 216 Y N -0.025 119.982 120.300 -0.489 0.000 2.200 216 Y HA -0.132 4.419 4.550 0.001 0.000 0.290 216 Y C 2.424 178.280 175.900 -0.073 0.000 1.137 216 Y CA 1.258 59.217 58.100 -0.235 0.000 1.163 216 Y CB -0.293 38.210 38.460 0.071 0.000 0.988 216 Y HN 0.261 nan 8.280 nan 0.000 0.518 217 A N 0.110 122.979 122.820 0.081 0.000 1.908 217 A HA -0.280 4.040 4.320 0.001 0.000 0.218 217 A C 2.147 179.756 177.584 0.041 0.000 1.181 217 A CA 2.100 54.185 52.037 0.079 0.000 0.627 217 A CB -0.599 18.426 19.000 0.042 0.000 0.818 217 A HN 0.337 nan 8.150 nan 0.000 0.445 218 R N -0.935 119.524 120.500 -0.069 0.000 2.075 218 R HA -0.065 4.276 4.340 0.001 0.000 0.232 218 R C 1.667 178.018 176.300 0.085 0.000 1.126 218 R CA 1.530 57.599 56.100 -0.051 0.000 0.963 218 R CB -0.932 29.276 30.300 -0.154 0.000 0.858 218 R HN 0.425 nan 8.270 nan 0.000 0.435 219 F N 0.632 120.575 119.950 -0.012 0.000 2.091 219 F HA -0.170 4.358 4.527 0.001 0.000 0.299 219 F C 2.017 177.849 175.800 0.052 0.000 1.103 219 F CA 1.144 59.143 58.000 -0.002 0.000 1.228 219 F CB -0.946 38.047 39.000 -0.011 0.000 0.984 219 F HN 0.026 nan 8.300 nan 0.000 0.477 220 L N -0.938 120.469 121.223 0.307 0.000 2.376 220 L HA -0.029 4.312 4.340 0.001 0.000 0.219 220 L C 2.332 179.299 176.870 0.162 0.000 1.133 220 L CA 0.728 55.706 54.840 0.231 0.000 0.816 220 L CB -0.743 41.461 42.059 0.242 0.000 0.933 220 L HN 0.083 nan 8.230 nan 0.000 0.449 221 A N 0.053 122.953 122.820 0.134 0.000 2.169 221 A HA 0.231 4.552 4.320 0.001 0.000 0.212 221 A C 1.427 179.057 177.584 0.076 0.000 1.153 221 A CA 0.549 52.642 52.037 0.094 0.000 0.756 221 A CB -0.562 18.482 19.000 0.073 0.000 0.813 221 A HN 0.321 nan 8.150 nan 0.000 0.471 222 G N 0.594 109.449 108.800 0.091 0.000 2.599 222 G HA2 0.452 4.413 3.960 0.001 0.000 0.264 222 G HA3 0.452 4.413 3.960 0.001 0.000 0.264 222 G C -2.391 172.533 174.900 0.041 0.000 1.200 222 G CA -1.019 44.119 45.100 0.064 0.000 0.896 222 G HN 0.208 nan 8.290 nan 0.000 0.536 223 P HA 0.267 nan 4.420 nan 0.000 0.271 223 P C -0.590 176.703 177.300 -0.013 0.000 1.220 223 P CA -0.182 62.917 63.100 -0.001 0.000 0.768 223 P CB 1.056 32.751 31.700 -0.008 0.000 0.848 224 R N 3.831 124.314 120.500 -0.028 0.000 2.732 224 R HA 0.386 4.727 4.340 0.001 0.000 0.278 224 R C -1.458 174.758 176.300 -0.139 0.000 0.976 224 R CA -1.951 54.112 56.100 -0.061 0.000 0.963 224 R CB -0.330 29.954 30.300 -0.027 0.000 1.150 224 R HN 0.306 nan 8.270 nan 0.000 0.478 225 P HA 0.116 nan 4.420 nan 0.000 0.223 225 P C 0.092 177.130 177.300 -0.436 0.000 1.151 225 P CA 0.547 63.491 63.100 -0.260 0.000 0.787 225 P CB 0.450 32.064 31.700 -0.144 0.000 0.788 226 G N -1.409 106.965 108.800 -0.709 0.000 2.345 226 G HA2 0.174 4.135 3.960 0.001 0.000 0.285 226 G HA3 0.174 4.135 3.960 0.001 0.000 0.285 226 G C -1.789 172.844 174.900 -0.445 0.000 1.297 226 G CA -1.018 43.769 45.100 -0.523 0.000 0.875 226 G HN 0.189 nan 8.290 nan 0.000 0.506 227 R N 0.085 120.595 120.500 0.016 0.000 2.514 227 R HA 0.649 4.990 4.340 0.001 0.000 0.301 227 R C 0.339 176.956 176.300 0.528 0.000 0.962 227 R CA -0.094 56.214 56.100 0.348 0.000 0.882 227 R CB 1.533 31.976 30.300 0.237 0.000 1.143 227 R HN 0.735 nan 8.270 nan 0.000 0.452 228 S N 1.160 117.201 115.700 0.568 0.000 2.576 228 S HA -0.004 4.467 4.470 0.001 0.000 0.276 228 S C 1.102 175.868 174.600 0.277 0.000 1.339 228 S CA -0.086 58.318 58.200 0.339 0.000 1.039 228 S CB 0.927 64.202 63.200 0.124 0.000 0.902 228 S HN 0.734 nan 8.310 nan 0.000 0.516 229 S N 3.314 119.117 115.700 0.171 0.000 2.558 229 S HA 0.312 4.783 4.470 0.001 0.000 0.217 229 S C 0.744 175.416 174.600 0.121 0.000 0.975 229 S CA 0.052 58.334 58.200 0.137 0.000 0.912 229 S CB -0.416 62.836 63.200 0.088 0.000 0.776 229 S HN 0.993 nan 8.310 nan 0.000 0.526 230 A N 3.876 126.765 122.820 0.115 0.000 2.498 230 A HA 0.485 4.806 4.320 0.001 0.000 0.239 230 A C -1.938 175.735 177.584 0.147 0.000 1.068 230 A CA -1.290 50.806 52.037 0.098 0.000 0.766 230 A CB -0.333 18.709 19.000 0.070 0.000 1.003 230 A HN 0.384 nan 8.150 nan 0.000 0.497 231 P HA 0.251 nan 4.420 nan 0.000 0.269 231 P C -0.777 176.706 177.300 0.304 0.000 1.209 231 P CA 0.004 63.242 63.100 0.230 0.000 0.776 231 P CB 0.810 32.586 31.700 0.125 0.000 0.876 232 V N 3.990 124.037 119.914 0.221 0.000 2.495 232 V HA 0.240 4.361 4.120 0.001 0.000 0.298 232 V C 0.142 176.028 176.094 -0.348 0.000 1.031 232 V CA -0.798 61.455 62.300 -0.079 0.000 0.871 232 V CB 1.634 33.362 31.823 -0.159 0.000 0.988 232 V HN 0.409 nan 8.190 nan 0.000 0.432 233 L N 6.294 126.967 121.223 -0.917 0.000 2.264 233 L HA 0.612 4.953 4.340 0.001 0.000 0.289 233 L C -0.707 175.808 176.870 -0.592 0.000 1.044 233 L CA -0.182 54.009 54.840 -1.082 0.000 0.807 233 L CB 1.227 42.213 42.059 -1.787 0.000 1.192 233 L HN 0.634 nan 8.230 nan 0.000 0.425 234 L N 6.881 127.862 121.223 -0.404 0.000 2.257 234 L HA 0.567 4.908 4.340 0.001 0.000 0.290 234 L C -0.993 175.745 176.870 -0.219 0.000 1.044 234 L CA -0.015 54.654 54.840 -0.286 0.000 0.810 234 L CB 1.311 43.247 42.059 -0.205 0.000 1.193 234 L HN 0.420 nan 8.230 nan 0.000 0.425 235 V N 6.343 126.154 119.914 -0.172 0.000 2.384 235 V HA 0.579 4.700 4.120 0.001 0.000 0.287 235 V C 0.066 176.125 176.094 -0.057 0.000 1.020 235 V CA -0.609 61.629 62.300 -0.103 0.000 0.850 235 V CB 1.270 33.051 31.823 -0.070 0.000 0.987 235 V HN 0.719 nan 8.190 nan 0.000 0.436 236 R N 3.018 123.489 120.500 -0.048 0.000 2.562 236 R HA 0.777 5.118 4.340 0.001 0.000 0.298 236 R C -0.086 176.237 176.300 0.038 0.000 0.961 236 R CA -0.588 55.500 56.100 -0.020 0.000 0.881 236 R CB 2.082 32.329 30.300 -0.088 0.000 1.159 236 R HN 0.791 nan 8.270 nan 0.000 0.450 237 A N 1.383 124.284 122.820 0.134 0.000 2.483 237 A HA 0.129 4.450 4.320 0.001 0.000 0.238 237 A C 0.542 178.279 177.584 0.256 0.000 1.070 237 A CA -0.128 52.028 52.037 0.199 0.000 0.770 237 A CB 0.447 19.636 19.000 0.316 0.000 1.008 237 A HN 0.806 nan 8.150 nan 0.000 0.497 238 S N 0.483 116.314 115.700 0.218 0.000 2.503 238 S HA 0.106 4.577 4.470 0.001 0.000 0.215 238 S C 0.234 175.092 174.600 0.431 0.000 1.003 238 S CA 0.383 58.732 58.200 0.249 0.000 0.910 238 S CB 0.075 63.327 63.200 0.086 0.000 0.790 238 S HN 0.772 nan 8.310 nan 0.000 0.514 239 E N 1.982 122.360 120.200 0.298 0.000 2.187 239 E HA 0.353 4.704 4.350 0.001 0.000 0.268 239 E C -2.742 173.585 176.600 -0.455 0.000 0.896 239 E CA -2.484 53.923 56.400 0.012 0.000 0.766 239 E CB 1.524 31.197 29.700 -0.045 0.000 1.142 239 E HN 0.049 nan 8.360 nan 0.000 0.408 240 P HA -0.017 nan 4.420 nan 0.000 0.275 240 P C 0.189 176.806 177.300 -1.138 0.000 1.228 240 P CA -0.363 61.772 63.100 -1.609 0.000 0.786 240 P CB 1.019 31.823 31.700 -1.493 0.000 0.927 241 L N 1.840 122.107 121.223 -1.594 0.000 2.217 241 L HA 0.209 4.550 4.340 0.001 0.000 0.211 241 L C 1.040 177.183 176.870 -1.210 0.000 1.107 241 L CA 1.939 56.073 54.840 -1.177 0.000 0.783 241 L CB -0.874 40.614 42.059 -0.952 0.000 0.919 241 L HN 0.632 nan 8.230 nan 0.000 0.442 242 G N -2.256 105.431 108.800 -1.855 0.000 2.947 242 G HA2 0.251 4.212 3.960 0.001 0.000 0.293 242 G HA3 0.251 4.212 3.960 0.001 0.000 0.293 242 G C -1.648 173.060 174.900 -0.320 0.000 1.243 242 G CA -0.289 44.255 45.100 -0.926 0.000 0.802 242 G HN -0.030 nan 8.290 nan 0.000 0.560 243 D N -0.609 119.849 120.400 0.097 0.000 2.341 243 D HA 0.414 5.054 4.640 0.001 0.000 0.245 243 D C -0.884 175.757 176.300 0.568 0.000 1.106 243 D CA -0.064 54.077 54.000 0.235 0.000 0.905 243 D CB 0.762 41.653 40.800 0.152 0.000 1.202 243 D HN 0.341 nan 8.370 nan 0.000 0.426 244 W N 3.897 125.306 121.300 0.182 0.000 3.624 244 W HA 0.189 4.850 4.660 0.001 0.000 0.312 244 W C -1.435 175.165 176.519 0.135 0.000 1.203 244 W CA -0.562 56.903 57.345 0.201 0.000 1.225 244 W CB 1.227 30.860 29.460 0.289 0.000 1.321 244 W HN 0.355 nan 8.180 nan 0.000 0.506 245 Q N 3.542 123.159 119.800 -0.305 0.000 2.267 245 Q HA 0.000 4.341 4.340 0.001 0.000 0.255 245 Q C 1.357 177.277 176.000 -0.133 0.000 0.923 245 Q CA 0.052 55.745 55.803 -0.183 0.000 0.925 245 Q CB 2.202 30.798 28.738 -0.236 0.000 1.195 245 Q HN 0.610 nan 8.270 nan 0.000 0.417 246 E N 3.222 123.473 120.200 0.085 0.000 2.086 246 E HA -0.301 4.050 4.350 0.001 0.000 0.200 246 E C 0.996 177.657 176.600 0.101 0.000 1.012 246 E CA 1.785 58.289 56.400 0.173 0.000 0.812 246 E CB 0.275 30.058 29.700 0.139 0.000 0.743 246 E HN 0.714 nan 8.360 nan 0.000 0.453 247 E N 0.203 120.407 120.200 0.007 0.000 2.401 247 E HA -0.182 4.169 4.350 0.001 0.000 0.199 247 E C 1.799 178.369 176.600 -0.050 0.000 1.023 247 E CA 0.478 56.869 56.400 -0.014 0.000 0.859 247 E CB -0.281 29.398 29.700 -0.035 0.000 0.780 247 E HN 0.176 nan 8.360 nan 0.000 0.523 248 R N 0.966 121.378 120.500 -0.146 0.000 2.193 248 R HA 0.078 4.419 4.340 0.001 0.000 0.213 248 R C 1.164 177.527 176.300 0.105 0.000 1.055 248 R CA 1.038 57.003 56.100 -0.224 0.000 0.995 248 R CB -0.097 29.666 30.300 -0.896 0.000 0.893 248 R HN 0.389 nan 8.270 nan 0.000 0.459 249 G N 0.369 109.337 108.800 0.279 0.000 2.384 249 G HA2 -0.207 3.754 3.960 0.001 0.000 0.204 249 G HA3 -0.207 3.754 3.960 0.001 0.000 0.204 249 G C -1.489 173.699 174.900 0.480 0.000 1.237 249 G CA -0.338 44.953 45.100 0.318 0.000 1.060 249 G HN 0.180 nan 8.290 nan 0.000 0.514 250 D N 1.017 121.553 120.400 0.227 0.000 2.277 250 D HA 0.377 5.018 4.640 0.001 0.000 0.249 250 D C 1.602 177.815 176.300 -0.146 0.000 1.134 250 D CA -0.256 53.739 54.000 -0.008 0.000 0.863 250 D CB 0.309 41.037 40.800 -0.119 0.000 1.143 250 D HN 0.568 nan 8.370 nan 0.000 0.458 251 W N 3.709 124.755 121.300 -0.424 0.000 3.003 251 W HA 0.165 4.825 4.660 0.001 0.000 0.257 251 W C 0.334 176.709 176.519 -0.240 0.000 1.308 251 W CA -0.590 56.228 57.345 -0.879 0.000 1.529 251 W CB -0.328 28.376 29.460 -1.261 0.000 1.115 251 W HN 0.097 nan 8.180 nan 0.000 0.659 252 R N 1.528 121.646 120.500 -0.636 0.000 2.784 252 R HA 0.275 4.616 4.340 0.001 0.000 0.266 252 R C 0.730 176.881 176.300 -0.248 0.000 1.044 252 R CA 0.169 55.947 56.100 -0.537 0.000 1.151 252 R CB 0.402 30.243 30.300 -0.764 0.000 1.037 252 R HN -0.032 nan 8.270 nan 0.000 0.478 253 A N 1.450 124.053 122.820 -0.363 0.000 2.507 253 A HA 0.025 4.346 4.320 0.001 0.000 0.235 253 A C -0.394 176.983 177.584 -0.345 0.000 1.070 253 A CA 0.408 51.993 52.037 -0.755 0.000 0.768 253 A CB 0.113 18.839 19.000 -0.455 0.000 1.011 253 A HN 0.818 nan 8.150 nan 0.000 0.502 254 H N -0.098 118.737 119.070 -0.391 0.000 2.806 254 H HA 0.606 5.163 4.556 0.001 0.000 0.367 254 H C -1.542 173.736 175.328 -0.084 0.000 1.136 254 H CA -0.640 55.256 56.048 -0.253 0.000 1.178 254 H CB 1.079 30.626 29.762 -0.358 0.000 1.718 254 H HN 0.776 nan 8.280 nan 0.000 0.540 255 W N 4.228 124.877 121.300 -1.086 0.000 3.256 255 W HA 0.224 4.885 4.660 0.001 0.000 0.324 255 W C -1.291 174.677 176.519 -0.917 0.000 1.196 255 W CA -0.679 56.170 57.345 -0.827 0.000 1.206 255 W CB 2.245 31.448 29.460 -0.427 0.000 1.385 255 W HN 0.657 nan 8.180 nan 0.000 0.522 256 D N 4.955 124.872 120.400 -0.805 0.000 2.382 256 D HA 0.178 4.819 4.640 0.001 0.000 0.259 256 D C 0.679 176.904 176.300 -0.124 0.000 1.224 256 D CA 0.796 54.574 54.000 -0.370 0.000 0.894 256 D CB 0.641 41.256 40.800 -0.307 0.000 1.127 256 D HN 0.389 nan 8.370 nan 0.000 0.487 257 L N 1.939 123.120 121.223 -0.070 0.000 3.823 257 L HA -0.203 4.138 4.340 0.001 0.000 0.525 257 L C -1.762 175.149 176.870 0.068 0.000 1.247 257 L CA -0.418 54.424 54.840 0.003 0.000 0.776 257 L CB -1.335 40.734 42.059 0.017 0.000 1.443 257 L HN 0.343 nan 8.230 nan 0.000 0.831 258 P HA 0.008 nan 4.420 nan 0.000 0.274 258 P C 0.803 178.159 177.300 0.092 0.000 1.246 258 P CA -0.179 62.968 63.100 0.079 0.000 0.795 258 P CB 0.605 32.292 31.700 -0.022 0.000 1.006 259 H N 0.777 119.885 119.070 0.064 0.000 2.389 259 H HA -0.000 4.556 4.556 0.001 0.000 0.299 259 H C -0.338 175.062 175.328 0.120 0.000 1.081 259 H CA 1.324 57.459 56.048 0.146 0.000 1.345 259 H CB 0.281 30.230 29.762 0.313 0.000 1.393 259 H HN 0.335 nan 8.280 nan 0.000 0.520 260 T N 1.013 115.657 114.554 0.150 0.000 2.923 260 T HA 0.460 4.811 4.350 0.001 0.000 0.311 260 T C -1.131 173.494 174.700 -0.126 0.000 1.183 260 T CA -0.645 61.469 62.100 0.023 0.000 1.020 260 T CB 2.840 71.802 68.868 0.158 0.000 1.165 260 T HN -0.045 nan 8.240 nan 0.000 0.482 261 V N 1.529 121.386 119.914 -0.094 0.000 2.555 261 V HA 0.895 5.016 4.120 0.001 0.000 0.302 261 V C -0.331 175.709 176.094 -0.091 0.000 1.038 261 V CA -0.793 61.440 62.300 -0.113 0.000 0.887 261 V CB 1.580 33.350 31.823 -0.089 0.000 0.991 261 V HN 1.151 nan 8.190 nan 0.000 0.434 262 A N 3.085 125.844 122.820 -0.102 0.000 2.374 262 A HA 0.735 5.056 4.320 0.001 0.000 0.305 262 A C -1.030 176.519 177.584 -0.058 0.000 1.053 262 A CA -0.668 51.330 52.037 -0.066 0.000 0.726 262 A CB 1.037 20.001 19.000 -0.061 0.000 1.229 262 A HN 0.766 nan 8.150 nan 0.000 0.431 263 D N 2.035 122.411 120.400 -0.041 0.000 2.256 263 D HA 0.480 5.121 4.640 0.001 0.000 0.240 263 D C -0.080 176.205 176.300 -0.025 0.000 1.062 263 D CA 0.062 54.041 54.000 -0.035 0.000 0.832 263 D CB 2.161 42.940 40.800 -0.035 0.000 1.135 263 D HN 0.513 nan 8.370 nan 0.000 0.484 264 V N -0.095 119.806 119.914 -0.022 0.000 3.046 264 V HA 0.679 4.800 4.120 0.001 0.000 0.316 264 V C -2.831 173.212 176.094 -0.084 0.000 1.104 264 V CA -2.550 59.728 62.300 -0.038 0.000 1.006 264 V CB 1.771 33.583 31.823 -0.018 0.000 1.058 264 V HN 0.216 nan 8.190 nan 0.000 0.440 265 P HA 0.588 nan 4.420 nan 0.000 0.272 265 P C 0.293 177.307 177.300 -0.477 0.000 1.240 265 P CA 1.372 64.221 63.100 -0.419 0.000 0.791 265 P CB 0.604 31.857 31.700 -0.746 0.000 0.978 266 G N 0.607 109.194 108.800 -0.355 0.000 2.603 266 G HA2 0.133 4.094 3.960 0.001 0.000 0.686 266 G HA3 0.133 4.094 3.960 0.001 0.000 0.686 266 G C -1.289 173.632 174.900 0.036 0.000 1.286 266 G CA -0.301 44.762 45.100 -0.062 0.000 0.871 266 G HN 0.721 nan 8.290 nan 0.000 0.568 267 D N -2.163 118.281 120.400 0.073 0.000 2.549 267 D HA 0.547 5.188 4.640 0.001 0.000 0.270 267 D C 1.294 177.671 176.300 0.128 0.000 1.181 267 D CA -0.023 54.011 54.000 0.057 0.000 1.070 267 D CB 0.148 40.915 40.800 -0.055 0.000 1.154 267 D HN 0.630 nan 8.370 nan 0.000 0.602 268 H N -0.948 118.118 119.070 -0.006 0.000 2.368 268 H HA -0.214 4.343 4.556 0.001 0.000 0.292 268 H C 1.335 176.652 175.328 -0.019 0.000 1.117 268 H CA 2.175 58.199 56.048 -0.041 0.000 1.231 268 H CB -0.215 29.371 29.762 -0.294 0.000 1.359 268 H HN 0.435 nan 8.280 nan 0.000 0.490 269 F N -1.368 118.684 119.950 0.171 0.000 2.220 269 F HA -0.037 4.491 4.527 0.001 0.000 0.290 269 F C 2.833 178.660 175.800 0.045 0.000 1.080 269 F CA 0.970 59.032 58.000 0.103 0.000 1.318 269 F CB -0.311 38.747 39.000 0.096 0.000 1.063 269 F HN 0.266 nan 8.300 nan 0.000 0.498 270 T N -1.028 113.670 114.554 0.241 0.000 3.023 270 T HA -0.171 4.180 4.350 0.001 0.000 0.266 270 T C 1.866 176.688 174.700 0.204 0.000 1.093 270 T CA 0.956 63.169 62.100 0.187 0.000 1.129 270 T CB -0.641 68.344 68.868 0.195 0.000 0.899 270 T HN 0.413 nan 8.240 nan 0.000 0.491 271 M N -0.169 119.520 119.600 0.150 0.000 2.195 271 M HA -0.022 4.458 4.480 0.001 0.000 0.260 271 M C 2.030 178.338 176.300 0.014 0.000 1.066 271 M CA 1.756 57.116 55.300 0.099 0.000 1.089 271 M CB -0.730 31.894 32.600 0.040 0.000 1.377 271 M HN 0.114 nan 8.290 nan 0.000 0.411 272 M N -0.558 118.990 119.600 -0.086 0.000 2.552 272 M HA 0.124 4.605 4.480 0.001 0.000 0.264 272 M C 2.291 178.557 176.300 -0.058 0.000 1.159 272 M CA 0.830 56.044 55.300 -0.142 0.000 1.176 272 M CB -0.783 31.606 32.600 -0.352 0.000 1.327 272 M HN 0.384 nan 8.290 nan 0.000 0.481 273 R N 1.078 121.575 120.500 -0.005 0.000 2.061 273 R HA -0.126 4.214 4.340 0.001 0.000 0.230 273 R C 1.169 177.432 176.300 -0.063 0.000 1.140 273 R CA 1.749 57.844 56.100 -0.008 0.000 0.940 273 R CB -0.114 30.207 30.300 0.035 0.000 0.839 273 R HN 0.312 nan 8.270 nan 0.000 0.429 274 D N -1.417 118.923 120.400 -0.099 0.000 2.338 274 D HA 0.018 4.659 4.640 0.001 0.000 0.208 274 D C 0.719 176.721 176.300 -0.496 0.000 0.997 274 D CA 0.778 54.583 54.000 -0.325 0.000 0.880 274 D CB 0.097 40.629 40.800 -0.447 0.000 0.980 274 D HN 0.385 nan 8.370 nan 0.000 0.509 275 H N -0.045 119.008 119.070 -0.029 0.000 2.475 275 H HA 0.489 5.046 4.556 0.001 0.000 0.276 275 H C 1.313 176.608 175.328 -0.055 0.000 1.126 275 H CA -0.060 55.967 56.048 -0.035 0.000 1.023 275 H CB 0.684 30.435 29.762 -0.018 0.000 1.669 275 H HN 0.003 nan 8.280 nan 0.000 0.573 276 A N 2.288 125.097 122.820 -0.019 0.000 1.917 276 A HA -0.102 4.218 4.320 0.001 0.000 0.219 276 A C -0.259 177.272 177.584 -0.088 0.000 1.182 276 A CA 1.139 53.142 52.037 -0.056 0.000 0.633 276 A CB -1.104 17.845 19.000 -0.084 0.000 0.819 276 A HN 0.265 nan 8.150 nan 0.000 0.448 277 P HA -0.119 nan 4.420 nan 0.000 0.218 277 P C 1.593 178.848 177.300 -0.075 0.000 1.148 277 P CA 1.766 64.798 63.100 -0.113 0.000 0.822 277 P CB -0.068 31.582 31.700 -0.083 0.000 0.784 278 A N -0.813 121.997 122.820 -0.016 0.000 1.929 278 A HA -0.106 4.215 4.320 0.001 0.000 0.216 278 A C 2.278 179.858 177.584 -0.007 0.000 1.176 278 A CA 1.387 53.426 52.037 0.002 0.000 0.628 278 A CB -1.559 17.463 19.000 0.037 0.000 0.816 278 A HN 0.010 nan 8.150 nan 0.000 0.444 279 V N 0.051 119.959 119.914 -0.010 0.000 2.261 279 V HA -0.269 3.852 4.120 0.001 0.000 0.246 279 V C 3.084 179.185 176.094 0.012 0.000 1.047 279 V CA 2.002 64.304 62.300 0.004 0.000 1.015 279 V CB -1.319 30.509 31.823 0.008 0.000 0.642 279 V HN 0.602 nan 8.190 nan 0.000 0.446 280 A N -0.414 122.347 122.820 -0.098 0.000 1.883 280 A HA -0.316 4.004 4.320 0.001 0.000 0.217 280 A C 2.312 179.853 177.584 -0.072 0.000 1.186 280 A CA 2.212 54.094 52.037 -0.258 0.000 0.624 280 A CB -0.621 17.946 19.000 -0.721 0.000 0.822 280 A HN 0.649 nan 8.150 nan 0.000 0.444 281 E N -0.144 120.020 120.200 -0.060 0.000 2.085 281 E HA -0.173 4.178 4.350 0.001 0.000 0.194 281 E C 2.149 178.788 176.600 0.065 0.000 0.994 281 E CA 1.190 57.592 56.400 0.004 0.000 0.801 281 E CB -0.279 29.417 29.700 -0.007 0.000 0.743 281 E HN 0.537 nan 8.360 nan 0.000 0.453 282 A N 0.557 123.414 122.820 0.062 0.000 1.902 282 A HA -0.133 4.188 4.320 0.001 0.000 0.217 282 A C 2.417 180.097 177.584 0.159 0.000 1.181 282 A CA 1.492 53.580 52.037 0.083 0.000 0.623 282 A CB -0.652 18.367 19.000 0.032 0.000 0.818 282 A HN 0.231 nan 8.150 nan 0.000 0.443 283 V N 0.184 120.216 119.914 0.197 0.000 2.295 283 V HA -0.261 3.860 4.120 0.001 0.000 0.246 283 V C 2.580 178.879 176.094 0.340 0.000 1.049 283 V CA 1.957 64.444 62.300 0.310 0.000 1.024 283 V CB -0.821 31.247 31.823 0.409 0.000 0.648 283 V HN 0.570 nan 8.190 nan 0.000 0.447 284 L N -0.120 121.285 121.223 0.302 0.000 2.012 284 L HA -0.188 4.153 4.340 0.001 0.000 0.210 284 L C 2.659 179.629 176.870 0.167 0.000 1.073 284 L CA 1.868 56.847 54.840 0.233 0.000 0.748 284 L CB -0.762 41.410 42.059 0.189 0.000 0.891 284 L HN 0.311 nan 8.230 nan 0.000 0.431 285 S N -1.096 114.702 115.700 0.162 0.000 2.370 285 S HA -0.249 4.222 4.470 0.001 0.000 0.226 285 S C 1.514 176.226 174.600 0.187 0.000 1.033 285 S CA 1.616 59.902 58.200 0.144 0.000 1.011 285 S CB -0.470 62.811 63.200 0.136 0.000 0.852 285 S HN 0.558 nan 8.310 nan 0.000 0.457 286 W N 2.207 123.532 121.300 0.042 0.000 2.418 286 W HA 0.103 4.763 4.660 0.001 0.000 0.292 286 W C 1.603 178.121 176.519 -0.001 0.000 1.213 286 W CA 0.615 57.979 57.345 0.031 0.000 1.283 286 W CB -0.449 29.029 29.460 0.029 0.000 1.119 286 W HN 0.172 nan 8.180 nan 0.000 0.542 287 L N 0.315 121.530 121.223 -0.013 0.000 2.083 287 L HA -0.221 4.120 4.340 0.001 0.000 0.209 287 L C 2.168 178.919 176.870 -0.199 0.000 1.083 287 L CA 1.543 56.256 54.840 -0.212 0.000 0.752 287 L CB -0.888 41.142 42.059 -0.049 0.000 0.899 287 L HN -0.119 nan 8.230 nan 0.000 0.433 288 D N 0.325 120.674 120.400 -0.085 0.000 2.097 288 D HA -0.154 4.487 4.640 0.001 0.000 0.195 288 D C 2.261 178.501 176.300 -0.100 0.000 0.989 288 D CA 1.568 55.528 54.000 -0.067 0.000 0.827 288 D CB -0.063 40.732 40.800 -0.009 0.000 0.966 288 D HN 0.292 nan 8.370 nan 0.000 0.456 289 A N 1.147 123.904 122.820 -0.104 0.000 1.902 289 A HA -0.140 4.181 4.320 0.001 0.000 0.217 289 A C 2.299 179.763 177.584 -0.199 0.000 1.181 289 A CA 1.504 53.483 52.037 -0.096 0.000 0.623 289 A CB -0.843 18.159 19.000 0.003 0.000 0.818 289 A HN 0.446 nan 8.150 nan 0.000 0.443 290 I N -2.935 117.377 120.570 -0.430 0.000 3.251 290 I HA 0.110 4.281 4.170 0.001 0.000 0.277 290 I C 0.667 176.595 176.117 -0.316 0.000 1.268 290 I CA 0.293 61.299 61.300 -0.490 0.000 1.449 290 I CB -0.091 37.359 38.000 -0.917 0.000 1.083 290 I HN 0.216 nan 8.210 nan 0.000 0.464 291 E N 0.000 120.051 120.200 -0.248 0.000 2.725 291 E HA 0.000 4.351 4.350 0.001 0.000 0.291 291 E CA 0.000 56.302 56.400 -0.163 0.000 0.976 291 E CB 0.000 29.616 29.700 -0.140 0.000 0.812 291 E HN 0.000 nan 8.360 nan 0.000 0.440