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 2aci_1_C DATA FIRST_RESID 7 DATA SEQUENCE KLGVHSEAGK LRKVMVCSPG LAHQRLTPSN CDELLFDDVI WVNQAKRDHF DATA SEQUENCE DFVTKMRERG IDVLEMHNLL TETIQNPEAL KWILDRKITA DSVGLGLTSE DATA SEQUENCE LRSWLESLEP RKLAEYLIGG VAADDLPASE GANILKMYRE YLGHSSFLLP DATA SEQUENCE PLPNTQFTRA TTCWIYGGVT LNPMYWPARR QETLLTTAIY KFHPEFANAE DATA SEQUENCE FEIWYGDPDK DHGSSTLEGG DVMPIGNGVV LIGMGERSSR QAIGQVAQSL DATA SEQUENCE FAKGAAERVI VAGLPKSXXA MHLDTVFSFC DRDLVTVFPE VVKEIVPFSL DATA SEQUENCE RPDPSSPYGM NIRREEKTFL EVVAESLGLK KLRVVETGXX XXXXEREQWD DATA SEQUENCE DGNNVVCLEP GVVVGYDRNT YTNTLLRKAG VEVITISASE LGRGRGGGHC DATA SEQUENCE MTCPIVRDPI D 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.592 176.600 -0.013 0.000 0.988 7 K CA 0.000 56.296 56.287 0.015 0.000 0.838 7 K CB 0.000 32.542 32.500 0.070 0.000 1.064 8 L N 1.546 122.722 121.223 -0.077 0.000 2.490 8 L HA 0.501 4.841 4.340 0.001 0.000 0.274 8 L C 0.692 177.511 176.870 -0.085 0.000 1.201 8 L CA 0.520 55.210 54.840 -0.250 0.000 0.869 8 L CB 0.274 42.011 42.059 -0.536 0.000 1.123 8 L HN 0.918 nan 8.230 nan 0.000 0.484 9 G N 2.049 110.749 108.800 -0.167 0.000 2.361 9 G HA2 0.377 4.337 3.960 0.001 0.000 0.299 9 G HA3 0.377 4.337 3.960 0.001 0.000 0.299 9 G C -2.036 172.725 174.900 -0.232 0.000 1.544 9 G CA -0.640 44.419 45.100 -0.069 0.000 0.860 9 G HN 0.295 nan 8.290 nan 0.000 0.610 10 V N 2.098 121.821 119.914 -0.318 0.000 2.443 10 V HA 0.455 4.576 4.120 0.001 0.000 0.293 10 V C 0.002 175.834 176.094 -0.437 0.000 1.021 10 V CA -0.710 61.439 62.300 -0.251 0.000 0.848 10 V CB 1.485 33.262 31.823 -0.077 0.000 0.998 10 V HN 0.877 nan 8.190 nan 0.000 0.424 11 H N 2.604 121.740 119.070 0.110 0.000 2.652 11 H HA 0.366 4.923 4.556 0.001 0.000 0.274 11 H C 0.707 176.128 175.328 0.155 0.000 1.021 11 H CA 0.669 56.860 56.048 0.238 0.000 1.187 11 H CB 1.063 30.967 29.762 0.236 0.000 1.505 11 H HN 0.713 nan 8.280 nan 0.000 0.530 12 S N -1.040 114.692 115.700 0.053 0.000 2.656 12 S HA 0.177 4.648 4.470 0.001 0.000 0.265 12 S C 0.217 174.765 174.600 -0.086 0.000 1.132 12 S CA -0.831 57.350 58.200 -0.031 0.000 0.819 12 S CB 2.234 65.420 63.200 -0.023 0.000 1.119 12 S HN -0.042 nan 8.310 nan 0.000 0.476 13 E N 0.246 120.334 120.200 -0.187 0.000 2.166 13 E HA 0.248 4.599 4.350 0.001 0.000 0.192 13 E C 1.644 178.195 176.600 -0.081 0.000 0.967 13 E CA 1.129 57.457 56.400 -0.120 0.000 0.840 13 E CB 0.120 29.707 29.700 -0.189 0.000 0.795 13 E HN 0.750 nan 8.360 nan 0.000 0.470 14 A N 1.126 123.859 122.820 -0.144 0.000 2.348 14 A HA 0.344 4.665 4.320 0.001 0.000 0.224 14 A C 1.286 178.846 177.584 -0.041 0.000 1.227 14 A CA 0.438 52.435 52.037 -0.066 0.000 0.885 14 A CB -0.059 18.903 19.000 -0.064 0.000 0.933 14 A HN 0.141 nan 8.150 nan 0.000 0.506 15 G N 0.047 108.825 108.800 -0.037 0.000 2.744 15 G HA2 0.288 4.249 3.960 0.001 0.000 0.257 15 G HA3 0.288 4.249 3.960 0.001 0.000 0.257 15 G C 0.076 174.973 174.900 -0.007 0.000 1.244 15 G CA -0.271 44.823 45.100 -0.010 0.000 0.916 15 G HN 0.385 nan 8.290 nan 0.000 0.564 16 K N -0.648 119.750 120.400 -0.003 0.000 2.379 16 K HA 0.246 4.566 4.320 0.001 0.000 0.284 16 K C -0.390 176.201 176.600 -0.016 0.000 1.044 16 K CA -0.429 55.851 56.287 -0.011 0.000 0.974 16 K CB 0.613 33.105 32.500 -0.013 0.000 0.962 16 K HN 0.196 nan 8.250 nan 0.000 0.474 17 L N 5.933 127.142 121.223 -0.024 0.000 2.265 17 L HA 0.327 4.667 4.340 0.001 0.000 0.288 17 L C 0.382 177.221 176.870 -0.052 0.000 1.058 17 L CA 0.588 55.406 54.840 -0.036 0.000 0.809 17 L CB 0.742 42.783 42.059 -0.030 0.000 1.179 17 L HN 0.829 nan 8.230 nan 0.000 0.429 18 R N 3.064 123.524 120.500 -0.065 0.000 2.287 18 R HA 0.260 4.601 4.340 0.001 0.000 0.197 18 R C -0.049 176.194 176.300 -0.096 0.000 0.900 18 R CA -0.095 55.960 56.100 -0.074 0.000 1.052 18 R CB 0.709 30.968 30.300 -0.068 0.000 1.117 18 R HN 0.381 nan 8.270 nan 0.000 0.568 19 K N 1.688 122.015 120.400 -0.121 0.000 2.601 19 K HA 0.324 4.644 4.320 0.001 0.000 0.249 19 K C -1.517 174.997 176.600 -0.143 0.000 0.966 19 K CA -0.289 55.913 56.287 -0.143 0.000 0.827 19 K CB 2.136 34.518 32.500 -0.197 0.000 1.178 19 K HN -0.153 nan 8.250 nan 0.000 0.437 20 V N 2.707 122.562 119.914 -0.099 0.000 3.001 20 V HA 0.603 4.724 4.120 0.001 0.000 0.314 20 V C -0.354 175.732 176.094 -0.014 0.000 1.099 20 V CA -1.119 61.145 62.300 -0.059 0.000 0.989 20 V CB 2.123 33.917 31.823 -0.047 0.000 1.040 20 V HN 0.810 nan 8.190 nan 0.000 0.434 21 M N 3.345 122.972 119.600 0.046 0.000 2.321 21 M HA 0.761 5.241 4.480 0.001 0.000 0.315 21 M C -1.126 175.249 176.300 0.125 0.000 1.052 21 M CA -0.498 54.859 55.300 0.094 0.000 0.936 21 M CB 1.778 34.469 32.600 0.153 0.000 1.639 21 M HN 0.834 nan 8.290 nan 0.000 0.433 22 V N 1.492 121.491 119.914 0.141 0.000 3.119 22 V HA 0.869 4.990 4.120 0.001 0.000 0.311 22 V C -1.451 174.767 176.094 0.206 0.000 1.259 22 V CA -0.812 61.622 62.300 0.224 0.000 1.067 22 V CB 1.816 33.806 31.823 0.279 0.000 1.123 22 V HN 1.037 nan 8.190 nan 0.000 0.463 23 C N 1.105 120.547 119.300 0.236 0.000 2.928 23 C HA 0.676 5.137 4.460 0.001 0.000 0.396 23 C C 0.034 174.949 174.990 -0.126 0.000 1.052 23 C CA 0.389 59.461 59.018 0.090 0.000 1.251 23 C CB 0.217 27.966 27.740 0.014 0.000 1.684 23 C HN 1.496 nan 8.230 nan 0.000 0.501 24 S N 5.701 121.229 115.700 -0.287 0.000 2.585 24 S HA 0.558 5.029 4.470 0.001 0.000 0.273 24 S C -2.262 172.148 174.600 -0.315 0.000 1.339 24 S CA -0.279 57.480 58.200 -0.736 0.000 1.028 24 S CB 0.673 63.644 63.200 -0.382 0.000 0.906 24 S HN 0.710 nan 8.310 nan 0.000 0.528 25 P HA 0.459 nan 4.420 nan 0.000 0.271 25 P C 0.262 177.412 177.300 -0.250 0.000 1.233 25 P CA 0.062 62.808 63.100 -0.589 0.000 0.789 25 P CB 0.572 31.805 31.700 -0.778 0.000 0.951 26 G N -0.425 108.364 108.800 -0.017 0.000 2.435 26 G HA2 0.098 4.058 3.960 0.001 0.000 0.228 26 G HA3 0.098 4.058 3.960 0.001 0.000 0.228 26 G C 0.051 174.985 174.900 0.056 0.000 1.198 26 G CA -0.392 44.699 45.100 -0.015 0.000 0.948 26 G HN 0.465 nan 8.290 nan 0.000 0.487 27 L N 1.239 122.448 121.223 -0.023 0.000 2.064 27 L HA -0.059 4.282 4.340 0.001 0.000 0.216 27 L C 3.181 180.023 176.870 -0.047 0.000 1.077 27 L CA 3.613 58.428 54.840 -0.042 0.000 0.766 27 L CB -0.925 41.072 42.059 -0.103 0.000 0.890 27 L HN 0.957 nan 8.230 nan 0.000 0.435 28 A N -1.366 121.409 122.820 -0.075 0.000 1.917 28 A HA -0.307 4.013 4.320 0.001 0.000 0.219 28 A C 2.072 179.459 177.584 -0.329 0.000 1.182 28 A CA 2.278 54.162 52.037 -0.256 0.000 0.633 28 A CB -1.035 17.737 19.000 -0.379 0.000 0.819 28 A HN 0.722 nan 8.150 nan 0.000 0.448 29 H N -0.626 118.320 119.070 -0.206 0.000 2.436 29 H HA 0.026 4.583 4.556 0.001 0.000 0.294 29 H C 2.186 177.473 175.328 -0.069 0.000 1.048 29 H CA 1.305 57.240 56.048 -0.188 0.000 1.353 29 H CB -0.137 29.525 29.762 -0.167 0.000 1.414 29 H HN 0.639 nan 8.280 nan 0.000 0.536 30 Q N 0.514 120.361 119.800 0.077 0.000 2.226 30 Q HA -0.075 4.265 4.340 0.001 0.000 0.204 30 Q C 1.749 177.789 176.000 0.066 0.000 0.975 30 Q CA 0.901 56.746 55.803 0.071 0.000 0.866 30 Q CB 0.024 28.791 28.738 0.048 0.000 0.915 30 Q HN 0.475 nan 8.270 nan 0.000 0.440 31 R N 0.251 120.771 120.500 0.033 0.000 2.236 31 R HA 0.089 4.430 4.340 0.001 0.000 0.208 31 R C 0.465 176.841 176.300 0.127 0.000 1.036 31 R CA 0.020 56.170 56.100 0.083 0.000 1.001 31 R CB -0.094 30.189 30.300 -0.028 0.000 0.896 31 R HN 0.183 nan 8.270 nan 0.000 0.464 32 L N 1.252 122.511 121.223 0.059 0.000 2.514 32 L HA -0.015 4.325 4.340 0.001 0.000 0.280 32 L C 0.287 177.225 176.870 0.114 0.000 1.223 32 L CA 0.813 55.703 54.840 0.084 0.000 0.864 32 L CB 0.597 42.698 42.059 0.069 0.000 1.118 32 L HN -0.019 nan 8.230 nan 0.000 0.494 33 T N 2.889 117.512 114.554 0.115 0.000 2.900 33 T HA 0.290 4.641 4.350 0.001 0.000 0.303 33 T C -2.019 172.729 174.700 0.080 0.000 1.142 33 T CA -0.964 61.189 62.100 0.087 0.000 1.007 33 T CB 2.279 71.188 68.868 0.069 0.000 1.156 33 T HN 0.258 nan 8.240 nan 0.000 0.490 34 P HA -0.055 nan 4.420 nan 0.000 0.222 34 P C 1.000 178.327 177.300 0.045 0.000 1.142 34 P CA 0.977 64.110 63.100 0.055 0.000 0.788 34 P CB 0.260 31.983 31.700 0.038 0.000 0.767 35 S N -0.005 115.718 115.700 0.038 0.000 2.355 35 S HA -0.073 4.398 4.470 0.001 0.000 0.216 35 S C 1.516 176.137 174.600 0.034 0.000 1.037 35 S CA 1.155 59.370 58.200 0.025 0.000 0.955 35 S CB -1.102 62.102 63.200 0.006 0.000 0.877 35 S HN 0.346 nan 8.310 nan 0.000 0.488 36 N N 1.356 120.086 118.700 0.049 0.000 2.521 36 N HA 0.005 4.745 4.740 0.001 0.000 0.188 36 N C 1.392 176.960 175.510 0.096 0.000 1.146 36 N CA 0.441 53.535 53.050 0.074 0.000 0.893 36 N CB -0.986 37.577 38.487 0.128 0.000 0.975 36 N HN 0.393 nan 8.380 nan 0.000 0.451 37 C N 0.772 120.127 119.300 0.093 0.000 2.367 37 C HA -0.203 4.258 4.460 0.001 0.000 0.276 37 C C 1.951 177.002 174.990 0.101 0.000 1.195 37 C CA 1.665 60.754 59.018 0.118 0.000 1.756 37 C CB -0.884 26.920 27.740 0.107 0.000 2.046 37 C HN 0.534 nan 8.230 nan 0.000 0.453 38 D N -0.440 119.993 120.400 0.054 0.000 2.183 38 D HA -0.098 4.542 4.640 0.001 0.000 0.205 38 D C 2.098 178.380 176.300 -0.029 0.000 0.962 38 D CA 0.973 54.981 54.000 0.014 0.000 0.849 38 D CB -0.681 40.117 40.800 -0.003 0.000 0.978 38 D HN 0.731 nan 8.370 nan 0.000 0.488 39 E N 0.647 120.841 120.200 -0.010 0.000 2.065 39 E HA -0.211 4.140 4.350 0.001 0.000 0.201 39 E C 1.483 178.065 176.600 -0.030 0.000 1.016 39 E CA 0.914 57.299 56.400 -0.025 0.000 0.818 39 E CB 0.063 29.774 29.700 0.019 0.000 0.749 39 E HN 0.060 nan 8.360 nan 0.000 0.453 40 L N 0.614 121.856 121.223 0.032 0.000 2.675 40 L HA 0.065 4.406 4.340 0.001 0.000 0.238 40 L C 0.582 177.476 176.870 0.040 0.000 1.155 40 L CA 0.813 55.673 54.840 0.034 0.000 0.881 40 L CB -0.694 41.395 42.059 0.050 0.000 1.008 40 L HN 0.277 nan 8.230 nan 0.000 0.443 41 L N -1.857 119.366 121.223 0.001 0.000 3.597 41 L HA -0.272 4.068 4.340 0.001 0.000 0.440 41 L C -0.332 176.670 176.870 0.220 0.000 1.277 41 L CA 0.276 55.122 54.840 0.010 0.000 0.852 41 L CB -2.081 39.934 42.059 -0.074 0.000 1.708 41 L HN 0.092 nan 8.230 nan 0.000 0.885 42 F N -0.274 119.690 119.950 0.023 0.000 2.562 42 F HA 0.282 4.809 4.527 0.001 0.000 0.319 42 F C 1.121 176.969 175.800 0.080 0.000 1.154 42 F CA -0.707 57.337 58.000 0.073 0.000 0.931 42 F CB 1.477 40.501 39.000 0.039 0.000 1.198 42 F HN 0.008 nan 8.300 nan 0.000 0.444 43 D N 2.255 122.559 120.400 -0.160 0.000 2.126 43 D HA -0.189 4.451 4.640 0.001 0.000 0.190 43 D C 0.070 176.379 176.300 0.015 0.000 1.001 43 D CA 2.023 55.982 54.000 -0.069 0.000 0.841 43 D CB 0.200 40.935 40.800 -0.108 0.000 0.949 43 D HN 0.558 nan 8.370 nan 0.000 0.446 44 D N -2.238 118.183 120.400 0.035 0.000 2.579 44 D HA 0.261 4.901 4.640 0.001 0.000 0.257 44 D C -1.430 175.035 176.300 0.274 0.000 1.176 44 D CA -0.701 53.380 54.000 0.135 0.000 0.914 44 D CB 2.002 42.854 40.800 0.088 0.000 1.431 44 D HN -0.215 nan 8.370 nan 0.000 0.454 45 V N 3.074 123.117 119.914 0.216 0.000 2.387 45 V HA 0.222 4.343 4.120 0.001 0.000 0.260 45 V C 0.654 176.884 176.094 0.226 0.000 1.054 45 V CA -0.226 62.209 62.300 0.226 0.000 0.967 45 V CB -0.479 31.432 31.823 0.148 0.000 1.036 45 V HN 0.368 nan 8.190 nan 0.000 0.481 46 I N 1.839 122.586 120.570 0.295 0.000 3.156 46 I HA 0.392 4.562 4.170 0.001 0.000 0.306 46 I C -0.167 176.128 176.117 0.297 0.000 1.048 46 I CA -0.653 60.813 61.300 0.278 0.000 1.207 46 I CB 0.695 38.869 38.000 0.289 0.000 1.456 46 I HN 0.598 nan 8.210 nan 0.000 0.616 47 W N 3.940 125.281 121.300 0.069 0.000 2.367 47 W HA 0.438 5.099 4.660 0.001 0.000 0.329 47 W C 0.277 176.811 176.519 0.026 0.000 1.066 47 W CA -1.286 56.086 57.345 0.044 0.000 1.435 47 W CB 0.145 29.628 29.460 0.037 0.000 1.296 47 W HN 0.423 nan 8.180 nan 0.000 0.401 48 V N 5.492 125.599 119.914 0.323 0.000 2.255 48 V HA -0.386 3.735 4.120 0.001 0.000 0.247 48 V C 2.244 178.295 176.094 -0.072 0.000 1.051 48 V CA 2.353 64.701 62.300 0.079 0.000 1.018 48 V CB -0.630 31.246 31.823 0.089 0.000 0.641 48 V HN 0.530 nan 8.190 nan 0.000 0.445 49 N N 0.046 118.707 118.700 -0.064 0.000 2.069 49 N HA -0.218 4.523 4.740 0.001 0.000 0.191 49 N C 1.911 177.200 175.510 -0.368 0.000 1.031 49 N CA 1.747 54.695 53.050 -0.170 0.000 0.852 49 N CB -0.531 37.925 38.487 -0.051 0.000 1.018 49 N HN 0.538 nan 8.380 nan 0.000 0.423 50 Q N 1.016 120.319 119.800 -0.829 0.000 2.096 50 Q HA 0.034 4.375 4.340 0.001 0.000 0.204 50 Q C 1.783 177.537 176.000 -0.411 0.000 0.982 50 Q CA 1.877 57.136 55.803 -0.907 0.000 0.850 50 Q CB -0.601 27.028 28.738 -1.847 0.000 0.901 50 Q HN 0.358 nan 8.270 nan 0.000 0.422 51 A N 0.390 123.034 122.820 -0.292 0.000 1.972 51 A HA -0.176 4.145 4.320 0.001 0.000 0.219 51 A C 1.925 179.471 177.584 -0.063 0.000 1.169 51 A CA 1.575 53.544 52.037 -0.114 0.000 0.635 51 A CB -0.381 18.570 19.000 -0.082 0.000 0.810 51 A HN 0.406 nan 8.150 nan 0.000 0.446 52 K N -0.562 119.775 120.400 -0.104 0.000 2.103 52 K HA -0.063 4.257 4.320 0.001 0.000 0.204 52 K C 2.228 178.869 176.600 0.068 0.000 1.052 52 K CA 1.131 57.396 56.287 -0.037 0.000 0.945 52 K CB -0.165 32.274 32.500 -0.101 0.000 0.722 52 K HN 0.398 nan 8.250 nan 0.000 0.443 53 R N 1.114 121.614 120.500 -0.001 0.000 2.081 53 R HA -0.116 4.224 4.340 0.001 0.000 0.235 53 R C 1.749 178.117 176.300 0.113 0.000 1.131 53 R CA 1.545 57.682 56.100 0.062 0.000 0.960 53 R CB -0.218 30.061 30.300 -0.036 0.000 0.856 53 R HN 0.191 nan 8.270 nan 0.000 0.436 54 D N -0.596 119.843 120.400 0.065 0.000 2.218 54 D HA -0.163 4.477 4.640 0.001 0.000 0.204 54 D C 1.714 178.124 176.300 0.183 0.000 0.976 54 D CA 1.053 55.108 54.000 0.092 0.000 0.853 54 D CB -0.243 40.592 40.800 0.058 0.000 0.939 54 D HN 0.357 nan 8.370 nan 0.000 0.481 55 H N -0.244 118.911 119.070 0.142 0.000 2.307 55 H HA -0.079 4.477 4.556 0.001 0.000 0.303 55 H C 2.023 177.525 175.328 0.291 0.000 1.073 55 H CA 0.911 57.099 56.048 0.233 0.000 1.338 55 H CB -0.487 29.378 29.762 0.172 0.000 1.389 55 H HN 0.150 nan 8.280 nan 0.000 0.503 56 F N 1.385 121.426 119.950 0.152 0.000 2.192 56 F HA -0.284 4.244 4.527 0.001 0.000 0.301 56 F C 2.333 178.143 175.800 0.017 0.000 1.079 56 F CA 1.651 59.692 58.000 0.068 0.000 1.303 56 F CB -0.013 39.016 39.000 0.050 0.000 1.024 56 F HN 0.293 nan 8.300 nan 0.000 0.494 57 D N -0.018 120.402 120.400 0.033 0.000 2.084 57 D HA -0.294 4.347 4.640 0.001 0.000 0.194 57 D C 2.051 178.328 176.300 -0.037 0.000 0.990 57 D CA 1.587 55.549 54.000 -0.063 0.000 0.826 57 D CB -0.557 40.261 40.800 0.030 0.000 0.971 57 D HN 0.282 nan 8.370 nan 0.000 0.453 58 F N 0.521 120.392 119.950 -0.133 0.000 2.202 58 F HA -0.114 4.413 4.527 0.001 0.000 0.301 58 F C 1.960 177.646 175.800 -0.191 0.000 1.082 58 F CA 0.886 58.795 58.000 -0.153 0.000 1.313 58 F CB -0.496 38.395 39.000 -0.180 0.000 1.024 58 F HN -0.048 nan 8.300 nan 0.000 0.495 59 V N -0.560 119.175 119.914 -0.298 0.000 2.379 59 V HA -0.253 3.867 4.120 0.001 0.000 0.245 59 V C 2.345 178.248 176.094 -0.319 0.000 1.044 59 V CA 2.312 64.402 62.300 -0.350 0.000 1.036 59 V CB -0.921 30.848 31.823 -0.091 0.000 0.664 59 V HN 0.359 nan 8.190 nan 0.000 0.453 60 T N -0.531 113.801 114.554 -0.371 0.000 2.821 60 T HA -0.178 4.173 4.350 0.001 0.000 0.267 60 T C 1.941 176.497 174.700 -0.240 0.000 1.046 60 T CA 1.326 63.206 62.100 -0.367 0.000 1.139 60 T CB -0.156 68.407 68.868 -0.509 0.000 0.871 60 T HN 0.435 nan 8.240 nan 0.000 0.454 61 K N 0.721 121.001 120.400 -0.199 0.000 2.032 61 K HA 0.006 4.326 4.320 0.001 0.000 0.209 61 K C 2.304 178.815 176.600 -0.148 0.000 1.048 61 K CA 1.406 57.613 56.287 -0.132 0.000 0.927 61 K CB -0.213 32.253 32.500 -0.056 0.000 0.712 61 K HN 0.331 nan 8.250 nan 0.000 0.441 62 M N 0.020 119.487 119.600 -0.222 0.000 2.229 62 M HA -0.109 4.371 4.480 0.001 0.000 0.264 62 M C 2.026 178.231 176.300 -0.159 0.000 1.063 62 M CA 1.367 56.546 55.300 -0.203 0.000 1.114 62 M CB -0.099 32.322 32.600 -0.299 0.000 1.387 62 M HN 0.070 nan 8.290 nan 0.000 0.420 63 R N 0.122 120.522 120.500 -0.167 0.000 2.115 63 R HA -0.092 4.249 4.340 0.001 0.000 0.230 63 R C 2.028 178.267 176.300 -0.101 0.000 1.111 63 R CA 0.925 56.950 56.100 -0.125 0.000 0.976 63 R CB -0.210 30.014 30.300 -0.126 0.000 0.870 63 R HN 0.431 nan 8.270 nan 0.000 0.445 64 E N 0.573 120.709 120.200 -0.107 0.000 2.051 64 E HA -0.210 4.140 4.350 0.001 0.000 0.192 64 E C 1.699 178.259 176.600 -0.068 0.000 0.991 64 E CA 0.914 57.265 56.400 -0.083 0.000 0.799 64 E CB -0.162 29.489 29.700 -0.082 0.000 0.748 64 E HN 0.064 nan 8.360 nan 0.000 0.449 65 R N 0.281 120.738 120.500 -0.071 0.000 2.366 65 R HA -0.051 4.290 4.340 0.001 0.000 0.201 65 R C 1.045 177.310 176.300 -0.058 0.000 1.057 65 R CA 0.958 57.022 56.100 -0.059 0.000 1.086 65 R CB -0.780 29.484 30.300 -0.060 0.000 0.914 65 R HN 0.322 nan 8.270 nan 0.000 0.476 66 G N -0.211 108.552 108.800 -0.062 0.000 2.184 66 G HA2 -0.322 3.638 3.960 0.001 0.000 0.264 66 G HA3 -0.322 3.638 3.960 0.001 0.000 0.264 66 G C 0.313 175.176 174.900 -0.063 0.000 0.975 66 G CA 0.458 45.524 45.100 -0.056 0.000 0.642 66 G HN 0.372 nan 8.290 nan 0.000 0.536 67 I N 0.845 121.370 120.570 -0.075 0.000 2.938 67 I HA 0.270 4.441 4.170 0.001 0.000 0.285 67 I C 0.597 176.664 176.117 -0.082 0.000 1.182 67 I CA -0.120 61.131 61.300 -0.081 0.000 1.388 67 I CB 0.481 38.424 38.000 -0.096 0.000 1.390 67 I HN 0.125 nan 8.210 nan 0.000 0.600 68 D N 3.999 124.349 120.400 -0.082 0.000 2.274 68 D HA 0.379 5.019 4.640 0.001 0.000 0.239 68 D C -1.088 175.165 176.300 -0.078 0.000 1.104 68 D CA -0.162 53.793 54.000 -0.075 0.000 0.840 68 D CB 1.147 41.899 40.800 -0.080 0.000 1.100 68 D HN 0.106 nan 8.370 nan 0.000 0.477 69 V N 5.369 125.244 119.914 -0.065 0.000 2.350 69 V HA 0.305 4.425 4.120 0.001 0.000 0.285 69 V C 0.012 176.098 176.094 -0.013 0.000 1.014 69 V CA -0.811 61.453 62.300 -0.059 0.000 0.831 69 V CB 1.200 32.965 31.823 -0.095 0.000 1.000 69 V HN 0.508 nan 8.190 nan 0.000 0.433 70 L N 4.043 125.267 121.223 0.002 0.000 2.264 70 L HA 0.570 4.910 4.340 0.001 0.000 0.289 70 L C 0.108 177.018 176.870 0.066 0.000 1.044 70 L CA -0.444 54.414 54.840 0.030 0.000 0.807 70 L CB 1.575 43.650 42.059 0.026 0.000 1.192 70 L HN 0.673 nan 8.230 nan 0.000 0.425 71 E N 3.727 123.978 120.200 0.085 0.000 2.115 71 E HA 0.134 4.485 4.350 0.001 0.000 0.282 71 E C 0.739 177.394 176.600 0.092 0.000 0.987 71 E CA -0.465 56.008 56.400 0.121 0.000 0.797 71 E CB 1.468 31.261 29.700 0.155 0.000 1.086 71 E HN 0.595 nan 8.360 nan 0.000 0.397 72 M N 4.500 124.135 119.600 0.057 0.000 2.147 72 M HA -0.357 4.123 4.480 0.001 0.000 0.253 72 M C 0.851 177.123 176.300 -0.046 0.000 1.075 72 M CA 2.304 57.586 55.300 -0.030 0.000 1.085 72 M CB -0.350 32.187 32.600 -0.105 0.000 1.305 72 M HN 0.873 nan 8.290 nan 0.000 0.409 73 H N -0.194 118.875 119.070 -0.002 0.000 2.387 73 H HA -0.129 4.428 4.556 0.001 0.000 0.299 73 H C 1.811 177.144 175.328 0.010 0.000 1.099 73 H CA 2.196 58.238 56.048 -0.010 0.000 1.315 73 H CB -0.262 29.482 29.762 -0.030 0.000 1.380 73 H HN 0.531 nan 8.280 nan 0.000 0.513 74 N N -0.055 118.733 118.700 0.148 0.000 2.106 74 N HA -0.094 4.646 4.740 0.001 0.000 0.188 74 N C 1.756 177.340 175.510 0.123 0.000 1.029 74 N CA 0.796 53.914 53.050 0.113 0.000 0.848 74 N CB -0.253 38.293 38.487 0.098 0.000 1.007 74 N HN 0.245 nan 8.380 nan 0.000 0.423 75 L N 0.213 121.486 121.223 0.084 0.000 2.012 75 L HA -0.132 4.209 4.340 0.001 0.000 0.210 75 L C 2.255 179.223 176.870 0.164 0.000 1.073 75 L CA 0.798 55.685 54.840 0.079 0.000 0.748 75 L CB -0.492 41.531 42.059 -0.060 0.000 0.891 75 L HN 0.277 nan 8.230 nan 0.000 0.431 76 L N -0.240 121.026 121.223 0.072 0.000 2.083 76 L HA -0.197 4.144 4.340 0.001 0.000 0.209 76 L C 2.445 179.361 176.870 0.076 0.000 1.083 76 L CA 2.098 56.971 54.840 0.055 0.000 0.752 76 L CB -0.822 41.230 42.059 -0.011 0.000 0.899 76 L HN 0.343 nan 8.230 nan 0.000 0.433 77 T N -0.264 114.341 114.554 0.085 0.000 2.737 77 T HA -0.158 4.193 4.350 0.001 0.000 0.265 77 T C 1.685 176.429 174.700 0.074 0.000 1.038 77 T CA 1.425 63.566 62.100 0.069 0.000 1.144 77 T CB -0.064 68.843 68.868 0.066 0.000 0.866 77 T HN 0.444 nan 8.240 nan 0.000 0.434 78 E N 0.852 121.126 120.200 0.122 0.000 2.047 78 E HA -0.104 4.247 4.350 0.001 0.000 0.191 78 E C 2.519 179.169 176.600 0.084 0.000 0.987 78 E CA 1.445 57.911 56.400 0.110 0.000 0.799 78 E CB -0.397 29.421 29.700 0.198 0.000 0.752 78 E HN 0.385 nan 8.360 nan 0.000 0.449 79 T N 2.510 117.166 114.554 0.170 0.000 2.635 79 T HA -0.183 4.167 4.350 0.001 0.000 0.267 79 T C 1.998 176.716 174.700 0.030 0.000 1.040 79 T CA 1.647 63.829 62.100 0.138 0.000 1.156 79 T CB -0.462 68.520 68.868 0.191 0.000 0.863 79 T HN 0.341 nan 8.240 nan 0.000 0.430 80 I N -0.289 120.292 120.570 0.019 0.000 3.605 80 I HA 0.123 4.293 4.170 0.001 0.000 0.301 80 I C 1.763 177.861 176.117 -0.032 0.000 1.267 80 I CA 0.615 61.901 61.300 -0.024 0.000 1.236 80 I CB -0.536 37.458 38.000 -0.010 0.000 1.010 80 I HN 0.165 nan 8.210 nan 0.000 0.491 81 Q N 1.265 121.052 119.800 -0.020 0.000 2.424 81 Q HA 0.072 4.412 4.340 0.001 0.000 0.204 81 Q C 0.469 176.448 176.000 -0.035 0.000 0.933 81 Q CA 0.072 55.862 55.803 -0.023 0.000 0.929 81 Q CB 0.060 28.791 28.738 -0.012 0.000 1.037 81 Q HN 0.491 nan 8.270 nan 0.000 0.511 82 N N 1.379 120.047 118.700 -0.054 0.000 2.645 82 N HA 0.084 4.824 4.740 0.001 0.000 0.233 82 N C -2.228 173.209 175.510 -0.121 0.000 1.058 82 N CA -2.010 50.998 53.050 -0.071 0.000 0.942 82 N CB 1.261 39.709 38.487 -0.065 0.000 1.210 82 N HN -0.140 nan 8.380 nan 0.000 0.512 83 P HA -0.226 nan 4.420 nan 0.000 0.220 83 P C 0.992 178.229 177.300 -0.105 0.000 1.155 83 P CA 1.306 64.363 63.100 -0.072 0.000 0.880 83 P CB 0.383 32.060 31.700 -0.038 0.000 0.790 84 E N -0.773 119.353 120.200 -0.123 0.000 2.110 84 E HA -0.185 4.166 4.350 0.001 0.000 0.193 84 E C 1.952 178.301 176.600 -0.418 0.000 0.988 84 E CA 1.110 57.424 56.400 -0.143 0.000 0.804 84 E CB -0.416 29.263 29.700 -0.035 0.000 0.745 84 E HN 0.123 nan 8.360 nan 0.000 0.458 85 A N 1.193 123.576 122.820 -0.728 0.000 1.930 85 A HA -0.125 4.195 4.320 0.001 0.000 0.217 85 A C 2.172 179.519 177.584 -0.396 0.000 1.175 85 A CA 0.714 52.052 52.037 -1.165 0.000 0.627 85 A CB -0.507 17.994 19.000 -0.831 0.000 0.815 85 A HN 0.351 nan 8.150 nan 0.000 0.443 86 L N -0.789 120.309 121.223 -0.207 0.000 2.056 86 L HA -0.138 4.202 4.340 0.001 0.000 0.207 86 L C 2.644 179.503 176.870 -0.018 0.000 1.078 86 L CA 1.686 56.484 54.840 -0.070 0.000 0.749 86 L CB -0.341 41.684 42.059 -0.057 0.000 0.901 86 L HN 0.411 nan 8.230 nan 0.000 0.433 87 K N -0.316 120.068 120.400 -0.028 0.000 2.032 87 K HA -0.285 4.035 4.320 0.001 0.000 0.209 87 K C 2.007 178.637 176.600 0.051 0.000 1.048 87 K CA 1.947 58.239 56.287 0.007 0.000 0.927 87 K CB -0.548 31.960 32.500 0.012 0.000 0.712 87 K HN 0.358 nan 8.250 nan 0.000 0.441 88 W N 1.618 122.857 121.300 -0.102 0.000 2.304 88 W HA -0.233 4.427 4.660 0.001 0.000 0.315 88 W C 1.850 178.372 176.519 0.005 0.000 1.233 88 W CA 2.113 59.449 57.345 -0.016 0.000 1.261 88 W CB -0.230 29.247 29.460 0.028 0.000 1.150 88 W HN 0.041 nan 8.180 nan 0.000 0.494 89 I N -0.537 120.185 120.570 0.254 0.000 2.206 89 I HA -0.300 3.870 4.170 0.001 0.000 0.239 89 I C 2.421 178.525 176.117 -0.022 0.000 1.078 89 I CA 1.144 62.522 61.300 0.130 0.000 1.367 89 I CB -1.056 37.061 38.000 0.195 0.000 1.078 89 I HN -0.091 nan 8.210 nan 0.000 0.413 90 L N 0.680 121.902 121.223 -0.001 0.000 2.051 90 L HA -0.288 4.052 4.340 0.001 0.000 0.214 90 L C 2.127 178.965 176.870 -0.054 0.000 1.076 90 L CA 1.372 56.201 54.840 -0.018 0.000 0.758 90 L CB -0.917 41.138 42.059 -0.005 0.000 0.890 90 L HN 0.322 nan 8.230 nan 0.000 0.433 91 D N -0.125 120.224 120.400 -0.085 0.000 2.221 91 D HA -0.155 4.486 4.640 0.001 0.000 0.204 91 D C 2.322 178.530 176.300 -0.153 0.000 0.982 91 D CA 1.183 55.116 54.000 -0.112 0.000 0.857 91 D CB -0.039 40.677 40.800 -0.141 0.000 0.934 91 D HN 0.358 nan 8.370 nan 0.000 0.475 92 R N -0.303 120.072 120.500 -0.208 0.000 2.206 92 R HA 0.148 4.489 4.340 0.001 0.000 0.198 92 R C 2.057 178.288 176.300 -0.115 0.000 0.986 92 R CA 0.236 56.210 56.100 -0.210 0.000 1.029 92 R CB 0.358 30.444 30.300 -0.357 0.000 0.966 92 R HN -0.012 nan 8.270 nan 0.000 0.487 93 K N 0.640 120.993 120.400 -0.079 0.000 2.323 93 K HA 0.158 4.479 4.320 0.001 0.000 0.197 93 K C -0.006 176.584 176.600 -0.017 0.000 1.043 93 K CA 0.537 56.804 56.287 -0.033 0.000 0.997 93 K CB 0.589 33.085 32.500 -0.008 0.000 0.807 93 K HN 0.026 nan 8.250 nan 0.000 0.497 94 I N 2.424 122.980 120.570 -0.023 0.000 2.502 94 I HA 0.112 4.282 4.170 0.001 0.000 0.276 94 I C -0.430 175.676 176.117 -0.017 0.000 1.057 94 I CA -0.644 60.651 61.300 -0.008 0.000 1.163 94 I CB 1.519 39.522 38.000 0.005 0.000 1.288 94 I HN 0.030 nan 8.210 nan 0.000 0.479 95 T N 1.022 115.567 114.554 -0.016 0.000 2.907 95 T HA 0.620 4.971 4.350 0.001 0.000 0.290 95 T C 0.971 175.667 174.700 -0.008 0.000 1.066 95 T CA -0.244 61.845 62.100 -0.018 0.000 1.012 95 T CB 2.205 71.057 68.868 -0.027 0.000 1.184 95 T HN 0.349 nan 8.240 nan 0.000 0.522 96 A N 0.533 123.348 122.820 -0.008 0.000 1.972 96 A HA -0.020 4.300 4.320 0.001 0.000 0.219 96 A C 1.827 179.411 177.584 0.001 0.000 1.169 96 A CA 1.614 53.650 52.037 -0.002 0.000 0.635 96 A CB -0.932 18.066 19.000 -0.003 0.000 0.810 96 A HN 0.891 nan 8.150 nan 0.000 0.446 97 D N -0.217 120.181 120.400 -0.004 0.000 2.277 97 D HA -0.074 4.567 4.640 0.001 0.000 0.208 97 D C 2.216 178.517 176.300 0.002 0.000 0.962 97 D CA 1.537 55.535 54.000 -0.003 0.000 0.865 97 D CB -0.017 40.778 40.800 -0.009 0.000 0.939 97 D HN 0.630 nan 8.370 nan 0.000 0.510 98 S N -0.752 114.950 115.700 0.003 0.000 2.468 98 S HA 0.046 4.516 4.470 0.001 0.000 0.226 98 S C 1.887 176.499 174.600 0.021 0.000 1.051 98 S CA 0.025 58.232 58.200 0.011 0.000 0.943 98 S CB 0.277 63.480 63.200 0.006 0.000 0.810 98 S HN 0.055 nan 8.310 nan 0.000 0.509 99 V N 0.838 120.763 119.914 0.018 0.000 3.455 99 V HA 0.531 4.652 4.120 0.001 0.000 0.250 99 V C 1.090 177.200 176.094 0.026 0.000 1.230 99 V CA 0.542 62.856 62.300 0.025 0.000 1.105 99 V CB -0.219 31.616 31.823 0.020 0.000 0.850 99 V HN 0.874 nan 8.190 nan 0.000 0.461 100 G N -0.134 108.678 108.800 0.019 0.000 2.650 100 G HA2 -0.103 3.857 3.960 0.001 0.000 0.686 100 G HA3 -0.103 3.857 3.960 0.001 0.000 0.686 100 G C -0.027 174.882 174.900 0.015 0.000 1.205 100 G CA -0.293 44.820 45.100 0.022 0.000 0.781 100 G HN 0.098 nan 8.290 nan 0.000 0.648 101 L N 1.368 122.600 121.223 0.014 0.000 2.051 101 L HA -0.021 4.319 4.340 0.001 0.000 0.214 101 L C 3.113 179.986 176.870 0.005 0.000 1.076 101 L CA 2.717 57.562 54.840 0.008 0.000 0.758 101 L CB -0.481 41.584 42.059 0.009 0.000 0.890 101 L HN 0.912 nan 8.230 nan 0.000 0.433 102 G N -1.001 107.803 108.800 0.006 0.000 2.534 102 G HA2 -0.022 3.938 3.960 0.001 0.000 0.217 102 G HA3 -0.022 3.938 3.960 0.001 0.000 0.217 102 G C 1.428 176.321 174.900 -0.011 0.000 1.128 102 G CA 0.363 45.461 45.100 -0.004 0.000 0.784 102 G HN 0.333 nan 8.290 nan 0.000 0.542 103 L N 0.489 121.708 121.223 -0.006 0.000 2.817 103 L HA 0.126 4.466 4.340 0.001 0.000 0.248 103 L C 2.833 179.702 176.870 -0.002 0.000 1.133 103 L CA 0.809 55.642 54.840 -0.012 0.000 0.935 103 L CB 0.187 42.237 42.059 -0.016 0.000 1.266 103 L HN 0.221 nan 8.230 nan 0.000 0.535 104 T N -3.648 110.908 114.554 0.004 0.000 2.833 104 T HA -0.141 4.209 4.350 0.001 0.000 0.269 104 T C 1.955 176.663 174.700 0.014 0.000 1.054 104 T CA 1.754 63.860 62.100 0.009 0.000 1.135 104 T CB -0.208 68.663 68.868 0.005 0.000 0.869 104 T HN 0.149 nan 8.240 nan 0.000 0.466 105 S N 2.071 117.777 115.700 0.010 0.000 2.348 105 S HA -0.064 4.406 4.470 0.001 0.000 0.219 105 S C 2.162 176.778 174.600 0.027 0.000 1.033 105 S CA 1.285 59.494 58.200 0.015 0.000 0.974 105 S CB -0.316 62.889 63.200 0.009 0.000 0.868 105 S HN 0.919 nan 8.310 nan 0.000 0.459 106 E N 1.292 121.501 120.200 0.016 0.000 2.153 106 E HA -0.099 4.251 4.350 0.001 0.000 0.194 106 E C 2.038 178.676 176.600 0.065 0.000 0.988 106 E CA 0.774 57.188 56.400 0.024 0.000 0.811 106 E CB -0.319 29.370 29.700 -0.019 0.000 0.746 106 E HN 0.312 nan 8.360 nan 0.000 0.466 107 L N 1.448 122.702 121.223 0.051 0.000 2.023 107 L HA -0.064 4.277 4.340 0.001 0.000 0.205 107 L C 2.674 179.642 176.870 0.164 0.000 1.073 107 L CA 1.923 56.828 54.840 0.107 0.000 0.745 107 L CB -0.617 41.473 42.059 0.052 0.000 0.900 107 L HN 0.160 nan 8.230 nan 0.000 0.435 108 R N -0.579 119.976 120.500 0.092 0.000 2.081 108 R HA -0.179 4.161 4.340 0.001 0.000 0.235 108 R C 2.590 178.933 176.300 0.073 0.000 1.131 108 R CA 1.775 57.917 56.100 0.069 0.000 0.960 108 R CB -0.230 30.091 30.300 0.035 0.000 0.856 108 R HN 0.442 nan 8.270 nan 0.000 0.436 109 S N -0.240 115.511 115.700 0.084 0.000 2.359 109 S HA -0.236 4.235 4.470 0.001 0.000 0.222 109 S C 1.621 176.290 174.600 0.114 0.000 1.038 109 S CA 1.569 59.817 58.200 0.080 0.000 1.051 109 S CB -0.580 62.668 63.200 0.080 0.000 0.944 109 S HN 0.660 nan 8.310 nan 0.000 0.433 110 W N 1.545 122.823 121.300 -0.036 0.000 2.350 110 W HA -0.006 4.655 4.660 0.001 0.000 0.289 110 W C 1.744 178.233 176.519 -0.050 0.000 1.215 110 W CA 1.320 58.637 57.345 -0.047 0.000 1.236 110 W CB -0.256 29.162 29.460 -0.069 0.000 1.130 110 W HN 0.337 nan 8.180 nan 0.000 0.541 111 L N -0.259 120.936 121.223 -0.045 0.000 2.127 111 L HA -0.045 4.295 4.340 0.001 0.000 0.203 111 L C 2.330 179.085 176.870 -0.191 0.000 1.080 111 L CA 1.169 55.858 54.840 -0.252 0.000 0.768 111 L CB -0.852 41.178 42.059 -0.047 0.000 0.924 111 L HN -0.117 nan 8.230 nan 0.000 0.444 112 E N 0.025 120.173 120.200 -0.086 0.000 2.267 112 E HA -0.201 4.149 4.350 0.001 0.000 0.197 112 E C 2.054 178.599 176.600 -0.091 0.000 0.998 112 E CA 1.379 57.739 56.400 -0.068 0.000 0.830 112 E CB 0.044 29.727 29.700 -0.028 0.000 0.751 112 E HN 0.421 nan 8.360 nan 0.000 0.491 113 S N -0.262 115.360 115.700 -0.130 0.000 2.593 113 S HA 0.074 4.544 4.470 0.001 0.000 0.217 113 S C 0.687 175.174 174.600 -0.187 0.000 0.966 113 S CA -0.271 57.851 58.200 -0.130 0.000 0.914 113 S CB -0.005 63.134 63.200 -0.102 0.000 0.776 113 S HN 0.017 nan 8.310 nan 0.000 0.523 114 L N 1.631 122.702 121.223 -0.255 0.000 2.399 114 L HA 0.520 4.861 4.340 0.001 0.000 0.266 114 L C 0.368 177.159 176.870 -0.131 0.000 1.114 114 L CA -0.830 53.863 54.840 -0.245 0.000 0.804 114 L CB 0.679 42.532 42.059 -0.344 0.000 1.146 114 L HN 0.097 nan 8.230 nan 0.000 0.451 115 E N 2.446 122.589 120.200 -0.096 0.000 2.338 115 E HA 0.114 4.464 4.350 0.001 0.000 0.272 115 E C -1.681 174.889 176.600 -0.050 0.000 1.029 115 E CA -1.738 54.626 56.400 -0.060 0.000 0.872 115 E CB 1.028 30.701 29.700 -0.045 0.000 1.015 115 E HN 0.199 nan 8.360 nan 0.000 0.417 116 P HA -0.302 nan 4.420 nan 0.000 0.221 116 P C 1.090 178.383 177.300 -0.010 0.000 1.160 116 P CA 1.922 65.011 63.100 -0.019 0.000 0.933 116 P CB 0.176 31.870 31.700 -0.009 0.000 0.793 117 R N 0.315 120.805 120.500 -0.017 0.000 2.083 117 R HA -0.128 4.213 4.340 0.001 0.000 0.237 117 R C 2.088 178.361 176.300 -0.044 0.000 1.137 117 R CA 1.931 58.018 56.100 -0.022 0.000 0.951 117 R CB -1.035 29.242 30.300 -0.038 0.000 0.851 117 R HN 0.070 nan 8.270 nan 0.000 0.434 118 K N -0.072 120.294 120.400 -0.056 0.000 2.063 118 K HA -0.132 4.188 4.320 0.001 0.000 0.208 118 K C 2.091 178.678 176.600 -0.022 0.000 1.048 118 K CA 1.620 57.861 56.287 -0.077 0.000 0.928 118 K CB -0.324 32.157 32.500 -0.032 0.000 0.713 118 K HN 0.206 nan 8.250 nan 0.000 0.442 119 L N 0.380 121.604 121.223 0.002 0.000 2.017 119 L HA -0.220 4.121 4.340 0.001 0.000 0.208 119 L C 2.378 179.284 176.870 0.060 0.000 1.073 119 L CA 1.464 56.327 54.840 0.037 0.000 0.745 119 L CB -0.451 41.598 42.059 -0.017 0.000 0.894 119 L HN 0.232 nan 8.230 nan 0.000 0.432 120 A N -0.596 122.248 122.820 0.040 0.000 1.978 120 A HA -0.260 4.061 4.320 0.001 0.000 0.220 120 A C 2.004 179.646 177.584 0.096 0.000 1.170 120 A CA 1.790 53.866 52.037 0.065 0.000 0.636 120 A CB -0.475 18.579 19.000 0.089 0.000 0.810 120 A HN 0.558 nan 8.150 nan 0.000 0.448 121 E N -1.383 118.836 120.200 0.033 0.000 2.031 121 E HA -0.213 4.138 4.350 0.001 0.000 0.193 121 E C 1.853 178.403 176.600 -0.084 0.000 0.994 121 E CA 1.661 58.026 56.400 -0.057 0.000 0.800 121 E CB -0.306 29.215 29.700 -0.299 0.000 0.752 121 E HN 0.784 nan 8.360 nan 0.000 0.447 122 Y N 0.798 121.117 120.300 0.032 0.000 2.133 122 Y HA -0.147 4.403 4.550 0.001 0.000 0.287 122 Y C 2.259 178.168 175.900 0.016 0.000 1.134 122 Y CA 0.838 58.961 58.100 0.037 0.000 1.133 122 Y CB -0.520 37.979 38.460 0.065 0.000 0.987 122 Y HN 0.014 nan 8.280 nan 0.000 0.502 123 L N -0.520 120.804 121.223 0.170 0.000 2.151 123 L HA -0.306 4.034 4.340 0.001 0.000 0.215 123 L C 2.018 178.904 176.870 0.027 0.000 1.084 123 L CA 1.586 56.476 54.840 0.083 0.000 0.764 123 L CB -0.570 41.519 42.059 0.050 0.000 0.891 123 L HN 0.330 nan 8.230 nan 0.000 0.435 124 I N -1.266 119.308 120.570 0.006 0.000 2.512 124 I HA -0.040 4.131 4.170 0.001 0.000 0.247 124 I C 2.356 178.442 176.117 -0.051 0.000 1.094 124 I CA 0.997 62.264 61.300 -0.056 0.000 1.427 124 I CB -0.569 37.348 38.000 -0.138 0.000 1.149 124 I HN 0.168 nan 8.210 nan 0.000 0.438 125 G N 0.722 109.514 108.800 -0.014 0.000 2.776 125 G HA2 0.301 4.261 3.960 0.001 0.000 0.209 125 G HA3 0.301 4.261 3.960 0.001 0.000 0.209 125 G C 0.869 175.726 174.900 -0.072 0.000 1.145 125 G CA 0.552 45.615 45.100 -0.061 0.000 0.791 125 G HN 0.602 nan 8.290 nan 0.000 0.530 126 G N -1.781 107.012 108.800 -0.010 0.000 2.814 126 G HA2 0.032 3.992 3.960 0.001 0.000 0.677 126 G HA3 0.032 3.992 3.960 0.001 0.000 0.677 126 G C -0.770 174.206 174.900 0.127 0.000 1.429 126 G CA -0.390 44.684 45.100 -0.043 0.000 0.868 126 G HN 0.893 nan 8.290 nan 0.000 0.553 127 V N 0.716 120.672 119.914 0.071 0.000 2.638 127 V HA 0.810 4.930 4.120 0.001 0.000 0.306 127 V C 0.769 176.919 176.094 0.093 0.000 1.052 127 V CA -0.009 62.348 62.300 0.094 0.000 0.885 127 V CB 1.407 33.243 31.823 0.021 0.000 0.999 127 V HN 2.119 nan 8.190 nan 0.000 0.424 128 A N 3.016 125.902 122.820 0.110 0.000 2.281 128 A HA 0.848 5.169 4.320 0.001 0.000 0.329 128 A C 1.362 178.941 177.584 -0.009 0.000 1.122 128 A CA 0.160 52.295 52.037 0.164 0.000 0.850 128 A CB 1.250 20.382 19.000 0.219 0.000 1.207 128 A HN 1.383 nan 8.150 nan 0.000 0.495 129 A N 0.178 122.994 122.820 -0.007 0.000 1.948 129 A HA -0.191 4.129 4.320 0.001 0.000 0.220 129 A C 1.435 178.939 177.584 -0.133 0.000 1.177 129 A CA 2.173 54.159 52.037 -0.086 0.000 0.636 129 A CB -0.682 18.281 19.000 -0.062 0.000 0.815 129 A HN 0.827 nan 8.150 nan 0.000 0.449 130 D N 0.067 120.419 120.400 -0.079 0.000 2.218 130 D HA -0.123 4.517 4.640 0.001 0.000 0.204 130 D C 0.875 177.105 176.300 -0.117 0.000 0.976 130 D CA 1.272 55.227 54.000 -0.076 0.000 0.853 130 D CB -0.328 40.463 40.800 -0.016 0.000 0.939 130 D HN 0.486 nan 8.370 nan 0.000 0.481 131 D N 0.492 120.792 120.400 -0.167 0.000 2.269 131 D HA -0.013 4.627 4.640 0.001 0.000 0.208 131 D C 1.052 176.962 176.300 -0.651 0.000 0.963 131 D CA 0.258 54.107 54.000 -0.251 0.000 0.864 131 D CB 0.575 41.234 40.800 -0.234 0.000 0.936 131 D HN 0.228 nan 8.370 nan 0.000 0.505 132 L N 1.866 122.670 121.223 -0.699 0.000 2.349 132 L HA 0.214 4.554 4.340 0.001 0.000 0.275 132 L C -2.065 174.523 176.870 -0.470 0.000 1.115 132 L CA -1.657 52.672 54.840 -0.851 0.000 0.820 132 L CB 0.940 42.626 42.059 -0.621 0.000 1.135 132 L HN -0.317 nan 8.230 nan 0.000 0.445 133 P HA 0.025 nan 4.420 nan 0.000 0.268 133 P C -0.516 176.691 177.300 -0.155 0.000 1.204 133 P CA -0.232 62.759 63.100 -0.181 0.000 0.768 133 P CB 0.608 32.254 31.700 -0.090 0.000 0.842 134 A N 3.098 125.857 122.820 -0.102 0.000 2.622 134 A HA 0.329 4.649 4.320 0.001 0.000 0.235 134 A C 0.642 178.178 177.584 -0.081 0.000 1.013 134 A CA 1.243 53.229 52.037 -0.084 0.000 0.765 134 A CB -0.746 18.221 19.000 -0.055 0.000 0.921 134 A HN 0.671 nan 8.150 nan 0.000 0.506 135 S N 0.612 116.263 115.700 -0.082 0.000 2.615 135 S HA 0.396 4.866 4.470 0.001 0.000 0.268 135 S C 0.332 174.889 174.600 -0.072 0.000 1.146 135 S CA -0.045 58.112 58.200 -0.071 0.000 0.818 135 S CB 0.426 63.578 63.200 -0.080 0.000 1.111 135 S HN 0.669 nan 8.310 nan 0.000 0.465 136 E N 1.035 121.198 120.200 -0.062 0.000 2.012 136 E HA -0.091 4.260 4.350 0.001 0.000 0.197 136 E C 2.108 178.654 176.600 -0.089 0.000 1.007 136 E CA 1.564 57.923 56.400 -0.067 0.000 0.816 136 E CB -0.986 28.681 29.700 -0.055 0.000 0.762 136 E HN 0.792 nan 8.360 nan 0.000 0.451 137 G N 1.593 110.343 108.800 -0.083 0.000 2.681 137 G HA2 -0.391 3.569 3.960 0.001 0.000 0.220 137 G HA3 -0.391 3.569 3.960 0.001 0.000 0.220 137 G C 1.748 176.580 174.900 -0.114 0.000 1.210 137 G CA 1.987 47.032 45.100 -0.093 0.000 0.783 137 G HN 0.407 nan 8.290 nan 0.000 0.609 138 A N 1.035 123.785 122.820 -0.116 0.000 1.896 138 A HA -0.240 4.080 4.320 0.001 0.000 0.220 138 A C 2.239 179.750 177.584 -0.121 0.000 1.206 138 A CA 2.205 54.165 52.037 -0.129 0.000 0.647 138 A CB -0.845 18.064 19.000 -0.151 0.000 0.828 138 A HN 0.579 nan 8.150 nan 0.000 0.455 139 N N -0.510 118.121 118.700 -0.114 0.000 2.120 139 N HA -0.132 4.609 4.740 0.001 0.000 0.188 139 N C 1.787 177.207 175.510 -0.149 0.000 1.024 139 N CA 1.574 54.559 53.050 -0.108 0.000 0.852 139 N CB -0.334 38.103 38.487 -0.085 0.000 1.003 139 N HN 0.539 nan 8.380 nan 0.000 0.424 140 I N 1.464 121.914 120.570 -0.201 0.000 2.163 140 I HA -0.269 3.902 4.170 0.001 0.000 0.243 140 I C 2.395 178.201 176.117 -0.519 0.000 1.085 140 I CA 0.873 61.951 61.300 -0.370 0.000 1.347 140 I CB -0.171 37.621 38.000 -0.346 0.000 1.044 140 I HN 0.209 nan 8.210 nan 0.000 0.408 141 L N 0.689 121.736 121.223 -0.293 0.000 2.017 141 L HA -0.238 4.103 4.340 0.001 0.000 0.208 141 L C 2.528 179.348 176.870 -0.082 0.000 1.073 141 L CA 2.006 56.758 54.840 -0.146 0.000 0.745 141 L CB -0.826 41.193 42.059 -0.066 0.000 0.894 141 L HN 0.300 nan 8.230 nan 0.000 0.432 142 K N -0.903 119.439 120.400 -0.097 0.000 2.097 142 K HA -0.221 4.099 4.320 0.001 0.000 0.206 142 K C 2.021 178.589 176.600 -0.054 0.000 1.049 142 K CA 1.319 57.563 56.287 -0.072 0.000 0.933 142 K CB -0.098 32.354 32.500 -0.079 0.000 0.717 142 K HN 0.239 nan 8.250 nan 0.000 0.442 143 M N -0.089 119.479 119.600 -0.054 0.000 2.086 143 M HA -0.205 4.275 4.480 0.001 0.000 0.261 143 M C 1.570 178.001 176.300 0.219 0.000 1.067 143 M CA 1.685 57.033 55.300 0.080 0.000 1.116 143 M CB -0.048 32.565 32.600 0.022 0.000 1.348 143 M HN 0.070 nan 8.290 nan 0.000 0.407 144 Y N -0.043 120.295 120.300 0.062 0.000 2.224 144 Y HA -0.181 4.369 4.550 0.001 0.000 0.289 144 Y C 2.572 178.386 175.900 -0.145 0.000 1.146 144 Y CA 1.374 59.467 58.100 -0.012 0.000 1.182 144 Y CB -1.190 37.317 38.460 0.079 0.000 0.983 144 Y HN 0.338 nan 8.280 nan 0.000 0.524 145 R N 0.577 121.120 120.500 0.072 0.000 2.066 145 R HA -0.202 4.138 4.340 0.001 0.000 0.232 145 R C 2.077 178.318 176.300 -0.097 0.000 1.131 145 R CA 1.849 57.924 56.100 -0.042 0.000 0.955 145 R CB -0.137 30.135 30.300 -0.046 0.000 0.851 145 R HN 0.267 nan 8.270 nan 0.000 0.432 146 E N -0.355 119.774 120.200 -0.118 0.000 2.047 146 E HA -0.164 4.186 4.350 0.001 0.000 0.191 146 E C 1.518 177.945 176.600 -0.289 0.000 0.987 146 E CA 1.611 57.852 56.400 -0.265 0.000 0.799 146 E CB -0.195 29.236 29.700 -0.448 0.000 0.752 146 E HN 0.495 nan 8.360 nan 0.000 0.449 147 Y N -0.857 119.409 120.300 -0.057 0.000 2.517 147 Y HA 0.184 4.735 4.550 0.001 0.000 0.281 147 Y C 1.447 177.285 175.900 -0.104 0.000 1.125 147 Y CA 0.361 58.426 58.100 -0.058 0.000 1.283 147 Y CB 0.475 38.921 38.460 -0.023 0.000 1.042 147 Y HN 0.015 nan 8.280 nan 0.000 0.547 148 L N -2.116 119.069 121.223 -0.062 0.000 3.039 148 L HA 0.417 4.757 4.340 0.001 0.000 0.269 148 L C 1.357 178.063 176.870 -0.273 0.000 1.169 148 L CA 0.420 55.123 54.840 -0.229 0.000 0.986 148 L CB 0.593 42.356 42.059 -0.494 0.000 1.377 148 L HN 0.169 nan 8.230 nan 0.000 0.575 149 G N 0.689 109.357 108.800 -0.221 0.000 2.160 149 G HA2 -0.223 3.738 3.960 0.001 0.000 0.244 149 G HA3 -0.223 3.738 3.960 0.001 0.000 0.244 149 G C 0.026 174.881 174.900 -0.074 0.000 1.022 149 G CA -0.049 44.971 45.100 -0.133 0.000 0.741 149 G HN 0.378 nan 8.290 nan 0.000 0.508 150 H N 0.557 119.608 119.070 -0.031 0.000 2.505 150 H HA 0.579 5.136 4.556 0.001 0.000 0.355 150 H C 1.187 176.448 175.328 -0.112 0.000 1.179 150 H CA -0.174 55.841 56.048 -0.055 0.000 1.343 150 H CB 1.030 30.777 29.762 -0.025 0.000 1.501 150 H HN 0.487 nan 8.280 nan 0.000 0.569 151 S N 0.300 115.982 115.700 -0.030 0.000 2.549 151 S HA 0.005 4.476 4.470 0.001 0.000 0.286 151 S C 0.986 175.445 174.600 -0.237 0.000 1.314 151 S CA -0.174 57.839 58.200 -0.312 0.000 1.062 151 S CB 0.397 63.356 63.200 -0.402 0.000 0.865 151 S HN 0.670 nan 8.310 nan 0.000 0.498 152 S N 1.936 117.423 115.700 -0.356 0.000 2.710 152 S HA 0.238 4.709 4.470 0.001 0.000 0.224 152 S C -0.277 174.348 174.600 0.041 0.000 0.948 152 S CA -0.703 57.426 58.200 -0.117 0.000 0.949 152 S CB -0.733 62.411 63.200 -0.094 0.000 0.778 152 S HN 0.574 nan 8.310 nan 0.000 0.498 153 F N 2.243 122.210 119.950 0.028 0.000 2.490 153 F HA 0.376 4.904 4.527 0.001 0.000 0.357 153 F C 1.073 176.882 175.800 0.014 0.000 1.166 153 F CA -1.920 56.091 58.000 0.018 0.000 1.116 153 F CB -0.386 38.625 39.000 0.019 0.000 1.171 153 F HN 0.080 nan 8.300 nan 0.000 0.576 154 L N 2.906 124.247 121.223 0.196 0.000 1.976 154 L HA -0.137 4.203 4.340 0.001 0.000 0.209 154 L C 0.853 177.781 176.870 0.096 0.000 1.071 154 L CA 1.440 56.340 54.840 0.100 0.000 0.746 154 L CB -0.405 41.675 42.059 0.035 0.000 0.890 154 L HN 0.262 nan 8.230 nan 0.000 0.432 155 L N 1.245 122.515 121.223 0.078 0.000 2.316 155 L HA 0.383 4.723 4.340 0.001 0.000 0.280 155 L C -2.291 174.560 176.870 -0.032 0.000 1.006 155 L CA -1.727 53.136 54.840 0.038 0.000 0.836 155 L CB 0.923 43.005 42.059 0.039 0.000 1.221 155 L HN -0.030 nan 8.230 nan 0.000 0.418 156 P HA 0.192 nan 4.420 nan 0.000 0.272 156 P C -2.596 174.543 177.300 -0.268 0.000 1.223 156 P CA -1.128 61.858 63.100 -0.190 0.000 0.784 156 P CB 0.071 31.768 31.700 -0.005 0.000 0.923 157 P HA 0.165 nan 4.420 nan 0.000 0.272 157 P C -0.402 176.750 177.300 -0.247 0.000 1.240 157 P CA 0.114 63.003 63.100 -0.350 0.000 0.791 157 P CB 0.647 32.071 31.700 -0.461 0.000 0.978 158 L N 2.043 123.126 121.223 -0.234 0.000 2.637 158 L HA 0.247 4.588 4.340 0.001 0.000 0.241 158 L C -1.237 175.450 176.870 -0.305 0.000 1.398 158 L CA -1.500 53.225 54.840 -0.191 0.000 0.895 158 L CB 1.356 43.345 42.059 -0.118 0.000 1.183 158 L HN 0.231 nan 8.230 nan 0.000 0.497 159 P HA -0.161 nan 4.420 nan 0.000 0.219 159 P C 0.596 177.509 177.300 -0.645 0.000 1.146 159 P CA 1.285 63.777 63.100 -1.014 0.000 0.808 159 P CB 0.261 31.077 31.700 -1.473 0.000 0.779 160 N N -0.524 118.059 118.700 -0.195 0.000 2.515 160 N HA -0.047 4.693 4.740 0.001 0.000 0.191 160 N C 1.461 176.963 175.510 -0.013 0.000 1.182 160 N CA 0.894 53.977 53.050 0.054 0.000 0.879 160 N CB -0.822 37.849 38.487 0.308 0.000 0.984 160 N HN 0.308 nan 8.380 nan 0.000 0.453 161 T N -1.637 112.869 114.554 -0.081 0.000 2.833 161 T HA -0.280 4.070 4.350 0.001 0.000 0.269 161 T C 1.685 176.367 174.700 -0.031 0.000 1.054 161 T CA 1.028 63.101 62.100 -0.046 0.000 1.135 161 T CB -0.384 68.426 68.868 -0.096 0.000 0.869 161 T HN 0.428 nan 8.240 nan 0.000 0.466 162 Q N 0.553 120.292 119.800 -0.103 0.000 2.376 162 Q HA -0.110 4.231 4.340 0.001 0.000 0.211 162 Q C 0.057 176.034 176.000 -0.038 0.000 0.986 162 Q CA 0.969 56.696 55.803 -0.127 0.000 0.886 162 Q CB -0.501 28.108 28.738 -0.216 0.000 0.927 162 Q HN 0.563 nan 8.270 nan 0.000 0.457 163 F N 2.038 122.102 119.950 0.190 0.000 2.732 163 F HA 0.232 4.759 4.527 0.001 0.000 0.312 163 F C 1.295 177.162 175.800 0.110 0.000 1.240 163 F CA -0.417 57.678 58.000 0.160 0.000 1.211 163 F CB -0.089 39.003 39.000 0.155 0.000 1.331 163 F HN 0.103 nan 8.300 nan 0.000 0.537 164 T N -2.457 112.251 114.554 0.257 0.000 2.836 164 T HA -0.369 3.982 4.350 0.001 0.000 0.268 164 T C 2.213 177.004 174.700 0.152 0.000 1.080 164 T CA 1.745 63.949 62.100 0.174 0.000 1.128 164 T CB -0.263 68.704 68.868 0.165 0.000 0.839 164 T HN 0.319 nan 8.240 nan 0.000 0.507 165 R N 1.938 122.524 120.500 0.143 0.000 2.120 165 R HA 0.166 4.507 4.340 0.001 0.000 0.234 165 R C 2.534 178.844 176.300 0.016 0.000 1.123 165 R CA 1.509 57.634 56.100 0.043 0.000 0.975 165 R CB -1.053 29.207 30.300 -0.067 0.000 0.866 165 R HN 0.486 nan 8.270 nan 0.000 0.446 166 A N -0.847 121.999 122.820 0.044 0.000 1.877 166 A HA -0.145 4.176 4.320 0.001 0.000 0.216 166 A C 2.365 179.976 177.584 0.045 0.000 1.186 166 A CA 2.006 54.055 52.037 0.020 0.000 0.620 166 A CB -1.236 17.814 19.000 0.083 0.000 0.822 166 A HN 0.479 nan 8.150 nan 0.000 0.443 167 T N -1.102 113.492 114.554 0.067 0.000 2.896 167 T HA 0.056 4.406 4.350 0.001 0.000 0.263 167 T C 0.862 175.585 174.700 0.038 0.000 1.050 167 T CA 1.895 64.025 62.100 0.051 0.000 1.140 167 T CB -0.399 68.490 68.868 0.034 0.000 0.877 167 T HN 0.763 nan 8.240 nan 0.000 0.457 168 T N -1.453 113.136 114.554 0.057 0.000 2.903 168 T HA 0.630 4.980 4.350 0.001 0.000 0.299 168 T C -1.188 173.535 174.700 0.038 0.000 1.093 168 T CA -0.934 61.196 62.100 0.049 0.000 1.002 168 T CB 1.456 70.411 68.868 0.146 0.000 1.127 168 T HN 0.070 nan 8.240 nan 0.000 0.488 169 C N 1.814 121.081 119.300 -0.054 0.000 2.431 169 C HA 0.595 5.055 4.460 0.001 0.000 0.321 169 C C -1.060 173.863 174.990 -0.111 0.000 1.202 169 C CA -0.962 58.051 59.018 -0.008 0.000 1.398 169 C CB 0.262 28.019 27.740 0.027 0.000 2.047 169 C HN 0.971 nan 8.230 nan 0.000 0.465 170 W N 4.670 125.982 121.300 0.020 0.000 2.316 170 W HA 0.570 5.231 4.660 0.001 0.000 0.339 170 W C -0.061 176.452 176.519 -0.009 0.000 1.002 170 W CA -0.502 56.840 57.345 -0.006 0.000 1.465 170 W CB 0.273 29.685 29.460 -0.080 0.000 1.300 170 W HN 0.421 nan 8.180 nan 0.000 0.378 171 I N 5.799 126.529 120.570 0.267 0.000 2.287 171 I HA 0.179 4.349 4.170 0.001 0.000 0.290 171 I C 0.154 176.443 176.117 0.287 0.000 1.069 171 I CA -0.776 60.584 61.300 0.101 0.000 1.237 171 I CB -0.468 37.580 38.000 0.080 0.000 1.418 171 I HN 0.562 nan 8.210 nan 0.000 0.481 172 Y N 4.116 124.501 120.300 0.142 0.000 2.875 172 Y HA -0.372 4.178 4.550 0.001 0.000 0.467 172 Y C 2.064 178.089 175.900 0.208 0.000 1.183 172 Y CA 1.027 59.146 58.100 0.033 0.000 2.568 172 Y CB -1.279 37.319 38.460 0.229 0.000 1.216 172 Y HN 0.609 nan 8.280 nan 0.000 0.629 173 G N 0.818 110.027 108.800 0.681 0.000 2.990 173 G HA2 0.386 4.347 3.960 0.001 0.000 0.206 173 G HA3 0.386 4.347 3.960 0.001 0.000 0.206 173 G C 0.268 175.378 174.900 0.351 0.000 1.169 173 G CA 0.857 46.282 45.100 0.542 0.000 0.819 173 G HN 0.908 nan 8.290 nan 0.000 0.517 174 G N -2.002 107.009 108.800 0.352 0.000 2.725 174 G HA2 0.561 4.521 3.960 0.001 0.000 0.288 174 G HA3 0.561 4.521 3.960 0.001 0.000 0.288 174 G C -1.792 172.851 174.900 -0.428 0.000 1.399 174 G CA -0.410 44.266 45.100 -0.706 0.000 0.859 174 G HN 0.397 nan 8.290 nan 0.000 0.479 175 V N -0.634 118.782 119.914 -0.829 0.000 3.102 175 V HA 0.905 5.026 4.120 0.001 0.000 0.312 175 V C -0.331 175.547 176.094 -0.360 0.000 1.135 175 V CA -0.053 61.766 62.300 -0.802 0.000 1.022 175 V CB 2.511 33.223 31.823 -1.851 0.000 1.056 175 V HN 1.383 nan 8.190 nan 0.000 0.436 176 T N 2.692 117.129 114.554 -0.195 0.000 2.841 176 T HA 0.659 5.009 4.350 0.001 0.000 0.283 176 T C -0.871 173.814 174.700 -0.026 0.000 1.000 176 T CA -0.606 61.504 62.100 0.016 0.000 0.977 176 T CB 1.217 70.180 68.868 0.158 0.000 0.979 176 T HN 0.577 nan 8.240 nan 0.000 0.446 177 L N 3.648 124.873 121.223 0.002 0.000 2.288 177 L HA 0.405 4.745 4.340 0.001 0.000 0.283 177 L C 0.092 176.958 176.870 -0.006 0.000 1.072 177 L CA -1.063 53.778 54.840 0.002 0.000 0.862 177 L CB -0.048 42.014 42.059 0.005 0.000 1.245 177 L HN 0.603 nan 8.230 nan 0.000 0.432 178 N N 4.113 122.827 118.700 0.024 0.000 2.483 178 N HA 0.169 4.910 4.740 0.001 0.000 0.264 178 N C -2.414 173.090 175.510 -0.010 0.000 1.197 178 N CA -1.282 51.791 53.050 0.039 0.000 0.927 178 N CB 0.567 39.090 38.487 0.060 0.000 1.065 178 N HN 0.256 nan 8.380 nan 0.000 0.461 179 P HA 0.214 nan 4.420 nan 0.000 0.274 179 P C -0.003 177.317 177.300 0.033 0.000 1.504 179 P CA -0.366 62.680 63.100 -0.089 0.000 1.011 179 P CB 0.403 31.926 31.700 -0.295 0.000 1.366 180 M N 2.747 122.389 119.600 0.070 0.000 2.250 180 M HA -0.041 4.440 4.480 0.001 0.000 0.337 180 M C 1.374 177.744 176.300 0.118 0.000 1.161 180 M CA 0.278 55.655 55.300 0.128 0.000 1.088 180 M CB -0.370 32.326 32.600 0.160 0.000 1.639 180 M HN 0.393 nan 8.290 nan 0.000 0.447 181 Y N 3.336 123.637 120.300 0.002 0.000 1.993 181 Y HA -0.190 4.360 4.550 0.001 0.000 0.267 181 Y C 0.138 175.943 175.900 -0.158 0.000 1.155 181 Y CA 1.727 59.733 58.100 -0.157 0.000 1.105 181 Y CB -0.244 38.032 38.460 -0.307 0.000 0.960 181 Y HN 0.629 nan 8.280 nan 0.000 0.486 182 W N 1.900 123.269 121.300 0.115 0.000 2.368 182 W HA 0.178 4.839 4.660 0.001 0.000 0.316 182 W C -1.398 175.131 176.519 0.016 0.000 1.375 182 W CA -1.786 55.580 57.345 0.036 0.000 1.261 182 W CB 0.124 29.672 29.460 0.147 0.000 1.298 182 W HN 0.104 nan 8.180 nan 0.000 0.539 183 P HA -0.352 nan 4.420 nan 0.000 0.215 183 P C 1.613 179.001 177.300 0.146 0.000 1.163 183 P CA 3.067 66.247 63.100 0.134 0.000 0.894 183 P CB 0.011 31.777 31.700 0.109 0.000 0.791 184 A N 0.007 122.929 122.820 0.170 0.000 1.903 184 A HA -0.282 4.039 4.320 0.001 0.000 0.219 184 A C 2.188 179.841 177.584 0.115 0.000 1.191 184 A CA 1.993 54.100 52.037 0.116 0.000 0.638 184 A CB -1.295 17.754 19.000 0.082 0.000 0.823 184 A HN 0.126 nan 8.150 nan 0.000 0.451 185 R N -0.817 119.786 120.500 0.171 0.000 2.328 185 R HA -0.031 4.310 4.340 0.001 0.000 0.207 185 R C 2.056 178.425 176.300 0.116 0.000 1.056 185 R CA 0.817 57.008 56.100 0.152 0.000 1.016 185 R CB -0.227 30.208 30.300 0.225 0.000 0.872 185 R HN 0.542 nan 8.270 nan 0.000 0.471 186 R N 0.277 120.842 120.500 0.109 0.000 2.193 186 R HA -0.110 4.230 4.340 0.001 0.000 0.229 186 R C 1.984 178.320 176.300 0.060 0.000 1.110 186 R CA 0.764 56.914 56.100 0.082 0.000 0.988 186 R CB -0.040 30.307 30.300 0.079 0.000 0.871 186 R HN 0.170 nan 8.270 nan 0.000 0.458 187 Q N 1.082 120.913 119.800 0.051 0.000 2.061 187 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 187 Q C 1.802 177.817 176.000 0.026 0.000 0.984 187 Q CA 1.609 57.431 55.803 0.032 0.000 0.846 187 Q CB -0.185 28.565 28.738 0.019 0.000 0.902 187 Q HN 0.485 nan 8.270 nan 0.000 0.421 188 E N -0.243 119.971 120.200 0.023 0.000 2.048 188 E HA -0.192 4.159 4.350 0.001 0.000 0.202 188 E C 1.945 178.543 176.600 -0.004 0.000 1.021 188 E CA 1.947 58.350 56.400 0.005 0.000 0.825 188 E CB -0.192 29.524 29.700 0.027 0.000 0.756 188 E HN 0.360 nan 8.360 nan 0.000 0.454 189 T N 1.460 116.024 114.554 0.016 0.000 2.897 189 T HA -0.156 4.194 4.350 0.001 0.000 0.271 189 T C 1.769 176.484 174.700 0.024 0.000 1.084 189 T CA 0.845 62.948 62.100 0.005 0.000 1.123 189 T CB -0.175 68.711 68.868 0.030 0.000 0.865 189 T HN 0.052 nan 8.240 nan 0.000 0.496 190 L N 1.011 122.270 121.223 0.059 0.000 2.005 190 L HA 0.087 4.427 4.340 0.001 0.000 0.207 190 L C 2.147 179.106 176.870 0.148 0.000 1.072 190 L CA 1.572 56.493 54.840 0.136 0.000 0.744 190 L CB -0.693 41.424 42.059 0.098 0.000 0.895 190 L HN 0.201 nan 8.230 nan 0.000 0.433 191 L N -0.839 120.420 121.223 0.059 0.000 2.042 191 L HA -0.234 4.106 4.340 0.001 0.000 0.210 191 L C 2.336 179.152 176.870 -0.090 0.000 1.076 191 L CA 1.882 56.730 54.840 0.015 0.000 0.749 191 L CB -1.276 40.764 42.059 -0.032 0.000 0.893 191 L HN 0.346 nan 8.230 nan 0.000 0.432 192 T N -1.741 112.703 114.554 -0.183 0.000 2.812 192 T HA -0.150 4.200 4.350 0.001 0.000 0.264 192 T C 1.927 176.286 174.700 -0.568 0.000 1.042 192 T CA 1.683 63.510 62.100 -0.455 0.000 1.140 192 T CB -0.340 68.209 68.868 -0.531 0.000 0.870 192 T HN 0.291 nan 8.240 nan 0.000 0.445 193 T N 2.246 116.631 114.554 -0.282 0.000 2.653 193 T HA -0.166 4.185 4.350 0.001 0.000 0.268 193 T C 2.389 176.944 174.700 -0.242 0.000 1.035 193 T CA 1.435 63.434 62.100 -0.169 0.000 1.154 193 T CB -0.713 68.184 68.868 0.049 0.000 0.862 193 T HN 0.463 nan 8.240 nan 0.000 0.441 194 A N 1.135 123.856 122.820 -0.165 0.000 1.892 194 A HA -0.140 4.181 4.320 0.001 0.000 0.218 194 A C 2.282 179.865 177.584 -0.003 0.000 1.188 194 A CA 1.812 53.771 52.037 -0.130 0.000 0.631 194 A CB -0.906 18.177 19.000 0.138 0.000 0.822 194 A HN 0.588 nan 8.150 nan 0.000 0.447 195 I N -1.980 118.532 120.570 -0.098 0.000 2.226 195 I HA -0.251 3.919 4.170 0.001 0.000 0.245 195 I C 2.249 178.326 176.117 -0.067 0.000 1.100 195 I CA 1.206 62.471 61.300 -0.058 0.000 1.374 195 I CB -0.485 37.378 38.000 -0.228 0.000 1.057 195 I HN 0.343 nan 8.210 nan 0.000 0.413 196 Y N 1.036 121.103 120.300 -0.390 0.000 2.352 196 Y HA -0.148 4.403 4.550 0.001 0.000 0.292 196 Y C 2.510 178.373 175.900 -0.062 0.000 1.136 196 Y CA 0.731 58.600 58.100 -0.386 0.000 1.227 196 Y CB -0.759 37.526 38.460 -0.291 0.000 0.991 196 Y HN 0.172 nan 8.280 nan 0.000 0.545 197 K N -0.871 119.460 120.400 -0.116 0.000 2.098 197 K HA -0.044 4.277 4.320 0.001 0.000 0.203 197 K C 1.224 177.462 176.600 -0.604 0.000 1.051 197 K CA 1.165 57.145 56.287 -0.510 0.000 0.957 197 K CB -0.108 31.750 32.500 -1.070 0.000 0.738 197 K HN 0.189 nan 8.250 nan 0.000 0.447 198 F N -0.675 119.266 119.950 -0.016 0.000 2.653 198 F HA 0.135 4.662 4.527 0.001 0.000 0.288 198 F C 1.189 177.071 175.800 0.136 0.000 1.121 198 F CA -0.359 57.660 58.000 0.030 0.000 1.384 198 F CB -0.211 38.770 39.000 -0.031 0.000 1.115 198 F HN 0.027 nan 8.300 nan 0.000 0.599 199 H N 3.347 122.608 119.070 0.319 0.000 3.034 199 H HA -0.015 4.542 4.556 0.001 0.000 0.324 199 H C -1.722 173.782 175.328 0.293 0.000 1.015 199 H CA -0.828 55.416 56.048 0.326 0.000 1.429 199 H CB 1.248 31.274 29.762 0.440 0.000 1.429 199 H HN -0.074 nan 8.280 nan 0.000 0.585 200 P HA -0.196 nan 4.420 nan 0.000 0.217 200 P C 0.963 178.353 177.300 0.149 0.000 1.158 200 P CA 1.731 64.853 63.100 0.036 0.000 0.887 200 P CB 0.198 31.823 31.700 -0.126 0.000 0.792 201 E N -2.827 117.573 120.200 0.334 0.000 2.409 201 E HA -0.109 4.241 4.350 0.001 0.000 0.198 201 E C 1.207 177.587 176.600 -0.367 0.000 1.024 201 E CA 0.745 57.121 56.400 -0.040 0.000 0.861 201 E CB -0.254 29.349 29.700 -0.161 0.000 0.788 201 E HN 0.347 nan 8.360 nan 0.000 0.521 202 F N -0.200 119.910 119.950 0.268 0.000 2.539 202 F HA 0.223 4.750 4.527 0.001 0.000 0.277 202 F C 2.305 178.303 175.800 0.329 0.000 0.925 202 F CA 0.425 58.609 58.000 0.307 0.000 1.193 202 F CB -0.880 38.330 39.000 0.350 0.000 1.128 202 F HN -0.109 nan 8.300 nan 0.000 0.740 203 A N 1.061 124.104 122.820 0.372 0.000 1.894 203 A HA -0.272 4.048 4.320 0.001 0.000 0.220 203 A C 1.631 179.267 177.584 0.086 0.000 1.237 203 A CA 2.453 54.580 52.037 0.150 0.000 0.660 203 A CB -1.209 17.843 19.000 0.088 0.000 0.835 203 A HN 0.517 nan 8.150 nan 0.000 0.461 204 N N 0.246 119.000 118.700 0.090 0.000 2.434 204 N HA 0.283 5.023 4.740 0.001 0.000 0.196 204 N C 0.262 175.815 175.510 0.071 0.000 1.183 204 N CA 0.752 53.831 53.050 0.048 0.000 0.849 204 N CB -0.193 38.313 38.487 0.031 0.000 0.992 204 N HN 0.550 nan 8.380 nan 0.000 0.460 205 A N 0.543 123.465 122.820 0.169 0.000 2.293 205 A HA 0.306 4.626 4.320 0.001 0.000 0.302 205 A C 0.284 178.025 177.584 0.261 0.000 1.119 205 A CA -0.381 51.803 52.037 0.246 0.000 0.823 205 A CB 1.169 20.364 19.000 0.324 0.000 1.097 205 A HN -0.067 nan 8.150 nan 0.000 0.491 206 E N 1.025 121.376 120.200 0.251 0.000 2.115 206 E HA 0.591 4.942 4.350 0.001 0.000 0.282 206 E C -1.412 175.386 176.600 0.331 0.000 0.987 206 E CA 0.063 56.548 56.400 0.143 0.000 0.797 206 E CB 0.422 30.175 29.700 0.089 0.000 1.086 206 E HN 0.504 nan 8.360 nan 0.000 0.397 207 F N 0.508 120.449 119.950 -0.014 0.000 2.793 207 F HA 0.416 4.943 4.527 0.001 0.000 0.316 207 F C -0.719 174.970 175.800 -0.185 0.000 1.147 207 F CA -1.061 56.910 58.000 -0.048 0.000 0.930 207 F CB 0.738 39.792 39.000 0.090 0.000 1.277 207 F HN 0.089 nan 8.300 nan 0.000 0.443 208 E N 1.625 121.658 120.200 -0.279 0.000 2.232 208 E HA 0.644 4.994 4.350 0.001 0.000 0.264 208 E C -1.097 175.137 176.600 -0.610 0.000 0.973 208 E CA -1.191 54.897 56.400 -0.520 0.000 0.849 208 E CB 2.930 32.240 29.700 -0.649 0.000 1.198 208 E HN 0.566 nan 8.360 nan 0.000 0.407 209 I N 1.711 122.023 120.570 -0.431 0.000 2.328 209 I HA 0.120 4.291 4.170 0.001 0.000 0.287 209 I C 0.259 176.307 176.117 -0.116 0.000 1.012 209 I CA -0.374 60.747 61.300 -0.298 0.000 1.195 209 I CB 0.495 38.407 38.000 -0.147 0.000 1.350 209 I HN 0.621 nan 8.210 nan 0.000 0.464 210 W N 5.034 126.349 121.300 0.025 0.000 2.418 210 W HA -0.053 4.608 4.660 0.001 0.000 0.292 210 W C 0.502 177.105 176.519 0.140 0.000 1.213 210 W CA 0.004 57.389 57.345 0.067 0.000 1.283 210 W CB 0.208 29.700 29.460 0.053 0.000 1.119 210 W HN 0.426 nan 8.180 nan 0.000 0.542 211 Y N -0.628 119.785 120.300 0.190 0.000 2.604 211 Y HA 0.501 5.051 4.550 0.001 0.000 0.331 211 Y C -0.001 175.926 175.900 0.044 0.000 1.158 211 Y CA -0.757 57.405 58.100 0.104 0.000 1.056 211 Y CB 0.991 39.497 38.460 0.078 0.000 1.330 211 Y HN 0.038 nan 8.280 nan 0.000 0.457 212 G N 3.482 111.905 108.800 -0.629 0.000 2.784 212 G HA2 0.335 4.296 3.960 0.001 0.000 0.686 212 G HA3 0.335 4.296 3.960 0.001 0.000 0.686 212 G C -2.111 172.711 174.900 -0.131 0.000 1.156 212 G CA -0.350 44.479 45.100 -0.452 0.000 0.757 212 G HN 1.064 nan 8.290 nan 0.000 0.642 213 D N 1.787 122.208 120.400 0.035 0.000 2.931 213 D HA 0.542 5.182 4.640 0.001 0.000 0.215 213 D C -1.536 174.884 176.300 0.200 0.000 1.297 213 D CA -1.148 52.921 54.000 0.116 0.000 0.892 213 D CB 2.228 43.074 40.800 0.077 0.000 1.642 213 D HN 0.188 nan 8.370 nan 0.000 0.560 214 P HA 0.140 nan 4.420 nan 0.000 0.245 214 P C -0.135 177.205 177.300 0.067 0.000 1.212 214 P CA 0.272 63.453 63.100 0.136 0.000 0.774 214 P CB 0.567 32.372 31.700 0.175 0.000 0.999 215 D N -0.181 120.249 120.400 0.049 0.000 2.368 215 D HA 0.103 4.743 4.640 0.001 0.000 0.218 215 D C 0.541 176.810 176.300 -0.052 0.000 1.112 215 D CA 0.377 54.368 54.000 -0.015 0.000 0.834 215 D CB 0.504 41.300 40.800 -0.007 0.000 0.953 215 D HN 0.278 nan 8.370 nan 0.000 0.505 216 K N 0.516 120.866 120.400 -0.082 0.000 2.295 216 K HA 0.283 4.603 4.320 0.001 0.000 0.239 216 K C -1.369 175.067 176.600 -0.273 0.000 0.991 216 K CA -0.672 55.471 56.287 -0.239 0.000 0.845 216 K CB 1.850 34.085 32.500 -0.442 0.000 1.197 216 K HN -0.315 nan 8.250 nan 0.000 0.441 217 D N 1.281 121.515 120.400 -0.277 0.000 2.460 217 D HA 0.162 4.802 4.640 0.001 0.000 0.232 217 D C 0.126 176.297 176.300 -0.215 0.000 1.079 217 D CA -0.252 53.651 54.000 -0.162 0.000 0.864 217 D CB 0.532 41.284 40.800 -0.079 0.000 1.048 217 D HN 0.558 nan 8.370 nan 0.000 0.523 218 H N 3.073 122.133 119.070 -0.018 0.000 2.556 218 H HA 0.127 4.684 4.556 0.001 0.000 0.268 218 H C 1.659 176.992 175.328 0.008 0.000 0.996 218 H CA 0.492 56.540 56.048 -0.000 0.000 1.157 218 H CB 0.395 30.164 29.762 0.013 0.000 1.355 218 H HN 0.670 nan 8.280 nan 0.000 0.597 219 G N 1.401 110.242 108.800 0.068 0.000 2.672 219 G HA2 -0.430 3.530 3.960 0.001 0.000 0.332 219 G HA3 -0.430 3.530 3.960 0.001 0.000 0.332 219 G C 1.324 176.242 174.900 0.030 0.000 1.213 219 G CA 1.097 46.214 45.100 0.029 0.000 0.980 219 G HN 0.448 nan 8.290 nan 0.000 0.548 220 S N 0.719 116.440 115.700 0.034 0.000 2.593 220 S HA 0.392 4.862 4.470 0.001 0.000 0.217 220 S C 0.907 175.543 174.600 0.060 0.000 0.966 220 S CA 0.785 59.000 58.200 0.026 0.000 0.914 220 S CB 0.349 63.559 63.200 0.016 0.000 0.776 220 S HN 0.604 nan 8.310 nan 0.000 0.523 221 S N 3.370 119.138 115.700 0.112 0.000 2.400 221 S HA 0.388 4.858 4.470 0.001 0.000 0.295 221 S C 0.310 174.995 174.600 0.141 0.000 1.113 221 S CA -0.514 57.779 58.200 0.154 0.000 1.064 221 S CB 0.416 63.782 63.200 0.277 0.000 0.990 221 S HN 0.571 nan 8.310 nan 0.000 0.502 222 T N 1.851 116.466 114.554 0.101 0.000 2.893 222 T HA 0.686 5.036 4.350 0.001 0.000 0.293 222 T C -1.006 173.741 174.700 0.079 0.000 1.027 222 T CA -0.886 61.273 62.100 0.098 0.000 0.988 222 T CB 1.390 70.332 68.868 0.123 0.000 1.043 222 T HN 0.365 nan 8.240 nan 0.000 0.461 223 L N 1.805 123.079 121.223 0.086 0.000 2.470 223 L HA 0.621 4.962 4.340 0.001 0.000 0.268 223 L C -1.084 175.830 176.870 0.074 0.000 0.964 223 L CA -0.418 54.455 54.840 0.055 0.000 0.839 223 L CB 1.935 44.012 42.059 0.030 0.000 1.276 223 L HN 0.990 nan 8.230 nan 0.000 0.403 224 E N 1.882 122.127 120.200 0.076 0.000 2.183 224 E HA 0.435 4.785 4.350 0.001 0.000 0.271 224 E C 0.899 177.485 176.600 -0.024 0.000 0.919 224 E CA -0.022 56.410 56.400 0.053 0.000 0.781 224 E CB 2.007 31.781 29.700 0.124 0.000 1.140 224 E HN 0.843 nan 8.360 nan 0.000 0.402 225 G N 2.816 111.585 108.800 -0.051 0.000 2.649 225 G HA2 -0.365 3.595 3.960 0.001 0.000 0.220 225 G HA3 -0.365 3.595 3.960 0.001 0.000 0.220 225 G C 1.295 176.130 174.900 -0.107 0.000 1.189 225 G CA 0.993 46.056 45.100 -0.063 0.000 0.777 225 G HN 0.709 nan 8.290 nan 0.000 0.602 226 G N -0.263 108.387 108.800 -0.249 0.000 2.564 226 G HA2 -0.073 3.887 3.960 0.001 0.000 0.216 226 G HA3 -0.073 3.887 3.960 0.001 0.000 0.216 226 G C 1.249 176.158 174.900 0.015 0.000 1.124 226 G CA 1.206 46.186 45.100 -0.200 0.000 0.764 226 G HN 0.395 nan 8.290 nan 0.000 0.550 227 D N -0.731 119.692 120.400 0.038 0.000 2.360 227 D HA 0.135 4.776 4.640 0.001 0.000 0.210 227 D C 0.740 177.094 176.300 0.090 0.000 1.047 227 D CA 0.048 54.111 54.000 0.105 0.000 0.854 227 D CB 0.815 41.676 40.800 0.102 0.000 0.936 227 D HN 0.082 nan 8.370 nan 0.000 0.514 228 V N 1.220 121.176 119.914 0.070 0.000 2.532 228 V HA 0.458 4.579 4.120 0.001 0.000 0.295 228 V C 0.075 176.236 176.094 0.112 0.000 1.041 228 V CA -0.269 62.071 62.300 0.067 0.000 0.926 228 V CB 2.023 33.864 31.823 0.029 0.000 0.992 228 V HN -0.033 nan 8.190 nan 0.000 0.457 229 M N 6.762 126.430 119.600 0.113 0.000 2.295 229 M HA 0.280 4.761 4.480 0.001 0.000 0.219 229 M C -2.929 173.394 176.300 0.039 0.000 0.981 229 M CA -1.061 54.324 55.300 0.142 0.000 1.019 229 M CB 2.903 35.680 32.600 0.294 0.000 2.528 229 M HN 0.368 nan 8.290 nan 0.000 0.445 230 P HA 0.172 nan 4.420 nan 0.000 0.266 230 P C 0.636 177.812 177.300 -0.207 0.000 1.586 230 P CA -0.196 62.701 63.100 -0.338 0.000 1.088 230 P CB -0.323 30.947 31.700 -0.717 0.000 1.584 231 I N 0.551 121.091 120.570 -0.049 0.000 2.315 231 I HA 0.153 4.323 4.170 0.001 0.000 0.248 231 I C 0.926 177.036 176.117 -0.011 0.000 1.117 231 I CA 0.729 61.970 61.300 -0.098 0.000 1.404 231 I CB -0.785 37.175 38.000 -0.068 0.000 1.071 231 I HN 0.392 nan 8.210 nan 0.000 0.419 232 G N 0.956 109.880 108.800 0.207 0.000 2.354 232 G HA2 -0.054 3.906 3.960 0.001 0.000 0.582 232 G HA3 -0.054 3.906 3.960 0.001 0.000 0.582 232 G C -0.141 174.879 174.900 0.200 0.000 1.316 232 G CA -0.202 45.081 45.100 0.304 0.000 0.995 232 G HN 0.590 nan 8.290 nan 0.000 0.573 233 N N -1.133 117.630 118.700 0.105 0.000 2.776 233 N HA 0.196 4.936 4.740 0.001 0.000 0.249 233 N C 1.478 177.002 175.510 0.022 0.000 1.111 233 N CA 2.830 55.904 53.050 0.041 0.000 0.711 233 N CB -0.995 37.519 38.487 0.046 0.000 1.065 233 N HN 2.743 nan 8.380 nan 0.000 0.556 234 G N -1.673 107.101 108.800 -0.043 0.000 2.273 234 G HA2 -0.193 3.767 3.960 0.001 0.000 0.280 234 G HA3 -0.193 3.767 3.960 0.001 0.000 0.280 234 G C -0.162 174.803 174.900 0.108 0.000 1.047 234 G CA 0.419 45.455 45.100 -0.108 0.000 0.869 234 G HN 0.825 nan 8.290 nan 0.000 0.502 235 V N -0.512 119.566 119.914 0.274 0.000 2.656 235 V HA 0.689 4.810 4.120 0.001 0.000 0.307 235 V C 0.012 176.281 176.094 0.292 0.000 1.051 235 V CA -0.828 61.623 62.300 0.252 0.000 0.893 235 V CB 2.354 34.281 31.823 0.173 0.000 0.999 235 V HN 0.332 nan 8.190 nan 0.000 0.426 236 V N 5.835 125.876 119.914 0.211 0.000 2.483 236 V HA 0.463 4.583 4.120 0.001 0.000 0.297 236 V C -0.277 175.889 176.094 0.120 0.000 1.027 236 V CA -0.517 61.857 62.300 0.122 0.000 0.855 236 V CB 1.760 33.618 31.823 0.058 0.000 0.995 236 V HN 0.618 nan 8.190 nan 0.000 0.424 237 L N 6.017 127.326 121.223 0.142 0.000 2.305 237 L HA 0.596 4.936 4.340 0.001 0.000 0.281 237 L C -0.609 176.339 176.870 0.129 0.000 1.085 237 L CA -0.198 54.753 54.840 0.185 0.000 0.813 237 L CB 1.230 43.464 42.059 0.292 0.000 1.157 237 L HN 0.510 nan 8.230 nan 0.000 0.436 238 I N 2.350 122.976 120.570 0.094 0.000 2.534 238 I HA 0.257 4.428 4.170 0.001 0.000 0.286 238 I C 0.419 176.548 176.117 0.020 0.000 1.094 238 I CA -0.466 60.861 61.300 0.045 0.000 1.055 238 I CB 2.036 40.033 38.000 -0.005 0.000 1.225 238 I HN 0.600 nan 8.210 nan 0.000 0.435 239 G N 6.668 115.482 108.800 0.023 0.000 2.361 239 G HA2 0.356 4.317 3.960 0.001 0.000 0.260 239 G HA3 0.356 4.317 3.960 0.001 0.000 0.260 239 G C -0.423 174.460 174.900 -0.029 0.000 1.261 239 G CA -0.336 44.752 45.100 -0.019 0.000 0.897 239 G HN 0.573 nan 8.290 nan 0.000 0.499 240 M N 3.730 123.296 119.600 -0.056 0.000 2.088 240 M HA 0.562 5.042 4.480 0.001 0.000 0.346 240 M C 0.402 176.660 176.300 -0.070 0.000 1.111 240 M CA -0.037 55.229 55.300 -0.056 0.000 1.017 240 M CB 0.912 33.478 32.600 -0.056 0.000 1.568 240 M HN 0.692 nan 8.290 nan 0.000 0.445 241 G N 2.397 111.152 108.800 -0.075 0.000 2.588 241 G HA2 0.101 4.061 3.960 0.001 0.000 0.281 241 G HA3 0.101 4.061 3.960 0.001 0.000 0.281 241 G C -0.375 174.444 174.900 -0.135 0.000 1.223 241 G CA -0.427 44.610 45.100 -0.104 0.000 0.871 241 G HN 0.661 nan 8.290 nan 0.000 0.492 242 E N -0.247 119.839 120.200 -0.191 0.000 2.510 242 E HA -0.040 4.310 4.350 0.001 0.000 0.202 242 E C 1.182 177.537 176.600 -0.409 0.000 1.072 242 E CA 0.602 56.839 56.400 -0.273 0.000 0.883 242 E CB 0.060 29.590 29.700 -0.283 0.000 0.818 242 E HN 0.248 nan 8.360 nan 0.000 0.548 243 R N -1.211 119.131 120.500 -0.263 0.000 2.551 243 R HA 0.203 4.543 4.340 0.001 0.000 0.316 243 R C -0.442 175.861 176.300 0.005 0.000 0.934 243 R CA 0.052 56.038 56.100 -0.191 0.000 1.117 243 R CB 1.383 31.606 30.300 -0.128 0.000 1.626 243 R HN -0.175 nan 8.270 nan 0.000 0.513 244 S N 1.521 117.214 115.700 -0.011 0.000 2.745 244 S HA 0.245 4.715 4.470 0.001 0.000 0.283 244 S C -0.172 174.417 174.600 -0.018 0.000 1.170 244 S CA -0.537 57.668 58.200 0.008 0.000 1.119 244 S CB 1.810 65.017 63.200 0.012 0.000 1.035 244 S HN 0.223 nan 8.310 nan 0.000 0.483 245 S N 2.590 118.289 115.700 -0.002 0.000 2.592 245 S HA 0.257 4.728 4.470 0.001 0.000 0.271 245 S C 1.462 176.037 174.600 -0.042 0.000 1.326 245 S CA -0.855 57.337 58.200 -0.013 0.000 1.024 245 S CB 0.747 63.957 63.200 0.017 0.000 0.921 245 S HN 0.830 nan 8.310 nan 0.000 0.527 246 R N 1.336 121.805 120.500 -0.051 0.000 2.075 246 R HA -0.170 4.170 4.340 0.001 0.000 0.232 246 R C 1.651 177.919 176.300 -0.052 0.000 1.126 246 R CA 1.481 57.540 56.100 -0.069 0.000 0.963 246 R CB -0.885 29.366 30.300 -0.082 0.000 0.858 246 R HN 0.663 nan 8.270 nan 0.000 0.435 247 Q N 1.443 121.230 119.800 -0.021 0.000 2.096 247 Q HA -0.161 4.180 4.340 0.001 0.000 0.208 247 Q C 2.325 178.330 176.000 0.007 0.000 0.993 247 Q CA 2.624 58.432 55.803 0.009 0.000 0.862 247 Q CB -0.388 28.370 28.738 0.034 0.000 0.915 247 Q HN 0.571 nan 8.270 nan 0.000 0.416 248 A N 0.276 123.087 122.820 -0.014 0.000 1.855 248 A HA -0.131 4.189 4.320 0.001 0.000 0.215 248 A C 2.145 179.536 177.584 -0.320 0.000 1.191 248 A CA 1.198 53.176 52.037 -0.099 0.000 0.613 248 A CB -0.725 18.237 19.000 -0.064 0.000 0.829 248 A HN 0.340 nan 8.150 nan 0.000 0.442 249 I N -0.076 120.362 120.570 -0.219 0.000 2.151 249 I HA -0.295 3.875 4.170 0.001 0.000 0.243 249 I C 2.661 178.651 176.117 -0.212 0.000 1.080 249 I CA 1.341 62.508 61.300 -0.221 0.000 1.339 249 I CB -0.533 37.383 38.000 -0.139 0.000 1.039 249 I HN 0.433 nan 8.210 nan 0.000 0.409 250 G N -0.335 108.382 108.800 -0.137 0.000 2.418 250 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 250 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 250 G C 1.521 176.351 174.900 -0.117 0.000 1.158 250 G CA 0.411 45.454 45.100 -0.096 0.000 0.771 250 G HN 0.442 nan 8.290 nan 0.000 0.545 251 Q N -0.277 119.458 119.800 -0.108 0.000 2.224 251 Q HA 0.015 4.356 4.340 0.001 0.000 0.203 251 Q C 2.717 178.631 176.000 -0.143 0.000 0.970 251 Q CA 0.793 56.571 55.803 -0.041 0.000 0.865 251 Q CB -0.012 28.817 28.738 0.151 0.000 0.922 251 Q HN 0.430 nan 8.270 nan 0.000 0.445 252 V N 0.568 120.265 119.914 -0.363 0.000 2.407 252 V HA -0.158 3.963 4.120 0.001 0.000 0.245 252 V C 2.204 178.085 176.094 -0.356 0.000 1.041 252 V CA 1.617 63.704 62.300 -0.356 0.000 1.040 252 V CB -0.668 30.884 31.823 -0.453 0.000 0.671 252 V HN 0.339 nan 8.190 nan 0.000 0.455 253 A N -0.662 121.901 122.820 -0.427 0.000 1.930 253 A HA -0.290 4.030 4.320 0.001 0.000 0.217 253 A C 2.216 179.215 177.584 -0.975 0.000 1.175 253 A CA 2.090 53.680 52.037 -0.744 0.000 0.627 253 A CB -0.486 18.137 19.000 -0.628 0.000 0.815 253 A HN 0.583 nan 8.150 nan 0.000 0.443 254 Q N -0.426 119.088 119.800 -0.476 0.000 2.046 254 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 254 Q C 2.343 178.267 176.000 -0.128 0.000 0.975 254 Q CA 1.909 57.578 55.803 -0.225 0.000 0.836 254 Q CB -0.225 28.482 28.738 -0.052 0.000 0.896 254 Q HN 0.652 nan 8.270 nan 0.000 0.428 255 S N -0.194 115.448 115.700 -0.097 0.000 2.356 255 S HA -0.160 4.310 4.470 0.001 0.000 0.223 255 S C 1.909 176.461 174.600 -0.079 0.000 1.032 255 S CA 1.095 59.302 58.200 0.011 0.000 1.005 255 S CB -0.389 62.883 63.200 0.119 0.000 0.867 255 S HN 0.448 nan 8.310 nan 0.000 0.449 256 L N 0.163 121.206 121.223 -0.300 0.000 1.944 256 L HA -0.137 4.204 4.340 0.001 0.000 0.218 256 L C 2.511 179.276 176.870 -0.174 0.000 1.075 256 L CA 2.040 56.593 54.840 -0.477 0.000 0.767 256 L CB -0.867 40.856 42.059 -0.558 0.000 0.890 256 L HN 0.311 nan 8.230 nan 0.000 0.434 257 F N 0.159 120.025 119.950 -0.141 0.000 2.085 257 F HA -0.317 4.210 4.527 0.001 0.000 0.299 257 F C 2.659 178.427 175.800 -0.053 0.000 1.096 257 F CA 1.109 59.056 58.000 -0.089 0.000 1.227 257 F CB -1.745 37.216 39.000 -0.065 0.000 0.983 257 F HN 0.123 nan 8.300 nan 0.000 0.482 258 A N -0.923 121.999 122.820 0.170 0.000 2.032 258 A HA -0.224 4.097 4.320 0.001 0.000 0.221 258 A C 1.933 179.585 177.584 0.113 0.000 1.165 258 A CA 1.872 53.982 52.037 0.122 0.000 0.645 258 A CB -0.639 18.425 19.000 0.107 0.000 0.807 258 A HN 0.278 nan 8.150 nan 0.000 0.453 259 K N -1.491 118.973 120.400 0.107 0.000 2.440 259 K HA 0.342 4.663 4.320 0.001 0.000 0.206 259 K C 0.771 177.440 176.600 0.116 0.000 1.025 259 K CA 0.586 56.967 56.287 0.156 0.000 1.135 259 K CB -0.003 32.693 32.500 0.327 0.000 0.856 259 K HN 0.548 nan 8.250 nan 0.000 0.502 260 G N 0.572 109.415 108.800 0.073 0.000 2.341 260 G HA2 -0.327 3.633 3.960 0.001 0.000 0.292 260 G HA3 -0.327 3.633 3.960 0.001 0.000 0.292 260 G C 0.713 175.627 174.900 0.024 0.000 1.021 260 G CA 0.499 45.628 45.100 0.048 0.000 0.905 260 G HN 0.394 nan 8.290 nan 0.000 0.508 261 A N -1.525 121.267 122.820 -0.047 0.000 2.147 261 A HA 0.814 5.134 4.320 0.001 0.000 0.211 261 A C 1.318 178.846 177.584 -0.094 0.000 1.160 261 A CA 1.620 53.594 52.037 -0.105 0.000 0.781 261 A CB 0.291 18.941 19.000 -0.582 0.000 0.842 261 A HN 2.242 nan 8.150 nan 0.000 0.475 262 A N -0.989 121.827 122.820 -0.007 0.000 2.612 262 A HA 0.633 4.953 4.320 0.001 0.000 0.293 262 A C -0.225 177.451 177.584 0.153 0.000 1.075 262 A CA -0.250 51.840 52.037 0.089 0.000 0.680 262 A CB 0.476 19.593 19.000 0.195 0.000 1.279 262 A HN 0.115 nan 8.150 nan 0.000 0.411 263 E N -0.291 119.953 120.200 0.073 0.000 2.447 263 E HA 0.215 4.565 4.350 0.001 0.000 0.204 263 E C 0.422 176.968 176.600 -0.090 0.000 0.977 263 E CA 0.196 56.548 56.400 -0.080 0.000 0.950 263 E CB 0.830 30.485 29.700 -0.075 0.000 0.975 263 E HN 0.504 nan 8.360 nan 0.000 0.496 264 R N 0.478 121.073 120.500 0.158 0.000 2.594 264 R HA 0.336 4.676 4.340 0.001 0.000 0.265 264 R C -2.083 174.397 176.300 0.299 0.000 1.070 264 R CA -0.419 55.808 56.100 0.212 0.000 0.909 264 R CB 1.905 32.262 30.300 0.094 0.000 1.243 264 R HN -0.121 nan 8.270 nan 0.000 0.455 265 V N 5.638 125.738 119.914 0.311 0.000 2.349 265 V HA 0.428 4.549 4.120 0.001 0.000 0.284 265 V C -0.207 175.979 176.094 0.154 0.000 1.014 265 V CA -0.583 61.820 62.300 0.171 0.000 0.826 265 V CB 1.410 33.258 31.823 0.041 0.000 1.009 265 V HN 0.615 nan 8.190 nan 0.000 0.431 266 I N 5.200 125.863 120.570 0.154 0.000 2.301 266 I HA 0.244 4.415 4.170 0.001 0.000 0.292 266 I C 0.066 176.280 176.117 0.163 0.000 1.046 266 I CA -0.193 61.211 61.300 0.173 0.000 1.282 266 I CB 1.522 39.641 38.000 0.198 0.000 1.409 266 I HN 0.295 nan 8.210 nan 0.000 0.484 267 V N 7.030 127.042 119.914 0.163 0.000 2.427 267 V HA 0.290 4.410 4.120 0.001 0.000 0.268 267 V C 0.734 176.892 176.094 0.106 0.000 1.046 267 V CA -0.444 61.930 62.300 0.122 0.000 0.970 267 V CB 1.020 32.915 31.823 0.121 0.000 1.001 267 V HN 0.809 nan 8.190 nan 0.000 0.476 268 A N 4.765 127.559 122.820 -0.044 0.000 2.506 268 A HA 0.575 4.895 4.320 0.001 0.000 0.320 268 A C 0.946 178.396 177.584 -0.222 0.000 1.424 268 A CA -0.036 51.797 52.037 -0.340 0.000 1.044 268 A CB -0.089 18.535 19.000 -0.627 0.000 1.140 268 A HN 0.989 nan 8.150 nan 0.000 0.538 269 G N 2.831 111.577 108.800 -0.090 0.000 2.404 269 G HA2 0.415 4.375 3.960 0.001 0.000 0.289 269 G HA3 0.415 4.375 3.960 0.001 0.000 0.289 269 G C 0.080 174.912 174.900 -0.113 0.000 1.074 269 G CA -0.324 44.769 45.100 -0.011 0.000 1.210 269 G HN 0.722 nan 8.290 nan 0.000 0.434 270 L N 4.956 126.104 121.223 -0.126 0.000 2.455 270 L HA 0.203 4.543 4.340 0.001 0.000 0.272 270 L C -1.247 175.567 176.870 -0.094 0.000 1.174 270 L CA -1.435 53.324 54.840 -0.135 0.000 0.869 270 L CB 0.793 42.774 42.059 -0.130 0.000 1.130 270 L HN 0.390 nan 8.230 nan 0.000 0.474 271 P HA 0.051 nan 4.420 nan 0.000 0.275 271 P C -0.076 177.186 177.300 -0.063 0.000 1.228 271 P CA -0.601 62.465 63.100 -0.057 0.000 0.786 271 P CB 1.068 32.740 31.700 -0.046 0.000 0.927 272 K N 1.386 121.757 120.400 -0.048 0.000 2.444 272 K HA -0.067 4.253 4.320 0.001 0.000 0.200 272 K C 0.748 177.313 176.600 -0.059 0.000 1.045 272 K CA 0.914 57.169 56.287 -0.053 0.000 0.934 272 K CB -0.694 31.784 32.500 -0.036 0.000 0.756 272 K HN 0.392 nan 8.250 nan 0.000 0.477 277 M N -0.830 118.594 119.600 -0.293 0.000 2.812 277 M HA 0.556 5.036 4.480 0.001 0.000 0.285 277 M C -0.808 175.218 176.300 -0.457 0.000 1.216 277 M CA -0.700 54.384 55.300 -0.360 0.000 0.749 277 M CB 1.378 33.858 32.600 -0.200 0.000 1.756 277 M HN 0.375 nan 8.290 nan 0.000 0.439 278 H N -0.088 118.956 119.070 -0.043 0.000 2.569 278 H HA 0.303 4.859 4.556 0.001 0.000 0.357 278 H C 0.224 175.558 175.328 0.009 0.000 1.153 278 H CA -0.807 55.231 56.048 -0.017 0.000 1.193 278 H CB 1.530 31.296 29.762 0.007 0.000 1.602 278 H HN 0.555 nan 8.280 nan 0.000 0.523 279 L N 1.673 122.978 121.223 0.136 0.000 2.054 279 L HA -0.270 4.071 4.340 0.001 0.000 0.220 279 L C 1.897 178.899 176.870 0.221 0.000 1.081 279 L CA 2.326 57.239 54.840 0.123 0.000 0.780 279 L CB -0.494 41.638 42.059 0.122 0.000 0.893 279 L HN 0.907 nan 8.230 nan 0.000 0.438 280 D N -2.526 118.028 120.400 0.256 0.000 2.390 280 D HA -0.124 4.517 4.640 0.001 0.000 0.235 280 D C 1.235 177.653 176.300 0.197 0.000 1.040 280 D CA 1.232 55.398 54.000 0.277 0.000 0.923 280 D CB -0.293 40.753 40.800 0.409 0.000 0.886 280 D HN 0.482 nan 8.370 nan 0.000 0.532 281 T N -0.746 113.904 114.554 0.161 0.000 3.014 281 T HA 0.072 4.423 4.350 0.001 0.000 0.250 281 T C 1.537 176.300 174.700 0.105 0.000 1.060 281 T CA 0.649 62.814 62.100 0.108 0.000 1.040 281 T CB 0.588 69.492 68.868 0.061 0.000 0.971 281 T HN 0.263 nan 8.240 nan 0.000 0.497 282 V N -2.389 117.607 119.914 0.137 0.000 3.252 282 V HA 0.591 4.711 4.120 0.001 0.000 0.320 282 V C -0.462 175.821 176.094 0.315 0.000 1.459 282 V CA -0.714 61.702 62.300 0.193 0.000 1.095 282 V CB -0.213 31.662 31.823 0.086 0.000 0.997 282 V HN 0.215 nan 8.190 nan 0.000 0.469 283 F N 1.097 121.081 119.950 0.058 0.000 3.051 283 F HA 0.757 5.284 4.527 0.001 0.000 0.363 283 F C -0.601 175.157 175.800 -0.070 0.000 1.257 283 F CA -0.229 57.777 58.000 0.009 0.000 1.126 283 F CB 1.636 40.694 39.000 0.096 0.000 1.476 283 F HN 0.010 nan 8.300 nan 0.000 0.576 284 S N 4.954 120.373 115.700 -0.469 0.000 2.526 284 S HA 0.641 5.111 4.470 0.001 0.000 0.293 284 S C -0.968 173.270 174.600 -0.603 0.000 1.092 284 S CA -0.479 57.454 58.200 -0.446 0.000 0.980 284 S CB 1.461 64.498 63.200 -0.272 0.000 1.048 284 S HN 0.367 nan 8.310 nan 0.000 0.483 285 F N 0.415 120.130 119.950 -0.392 0.000 2.371 285 F HA 0.379 4.906 4.527 0.001 0.000 0.329 285 F C 1.086 176.756 175.800 -0.217 0.000 1.107 285 F CA -0.229 57.592 58.000 -0.297 0.000 1.137 285 F CB 0.976 39.856 39.000 -0.201 0.000 1.214 285 F HN 0.638 nan 8.300 nan 0.000 0.536 286 C N -0.398 118.925 119.300 0.039 0.000 3.505 286 C HA 0.276 4.737 4.460 0.001 0.000 0.571 286 C C -0.434 174.568 174.990 0.021 0.000 1.337 286 C CA 0.065 59.077 59.018 -0.010 0.000 2.562 286 C CB 0.314 28.016 27.740 -0.064 0.000 3.703 286 C HN 0.795 nan 8.230 nan 0.000 0.526 287 D N -1.000 119.434 120.400 0.056 0.000 2.583 287 D HA 0.278 4.918 4.640 0.001 0.000 0.248 287 D C 0.508 176.864 176.300 0.094 0.000 1.209 287 D CA -0.616 53.411 54.000 0.046 0.000 0.848 287 D CB 1.175 41.982 40.800 0.012 0.000 1.431 287 D HN -0.094 nan 8.370 nan 0.000 0.436 288 R N 0.203 120.731 120.500 0.046 0.000 2.196 288 R HA -0.232 4.108 4.340 0.001 0.000 0.259 288 R C 0.577 176.940 176.300 0.105 0.000 1.154 288 R CA 2.630 58.755 56.100 0.043 0.000 0.976 288 R CB 0.063 30.372 30.300 0.015 0.000 0.888 288 R HN 0.486 nan 8.270 nan 0.000 0.453 289 D N -1.751 118.699 120.400 0.084 0.000 2.513 289 D HA 0.029 4.669 4.640 0.001 0.000 0.222 289 D C 0.066 176.387 176.300 0.036 0.000 1.210 289 D CA -0.143 53.906 54.000 0.081 0.000 0.825 289 D CB -0.007 40.817 40.800 0.040 0.000 1.037 289 D HN 0.147 nan 8.370 nan 0.000 0.506 290 L N 1.767 123.007 121.223 0.029 0.000 2.282 290 L HA 0.475 4.815 4.340 0.001 0.000 0.288 290 L C -0.706 176.059 176.870 -0.176 0.000 1.033 290 L CA -0.846 53.959 54.840 -0.058 0.000 0.807 290 L CB 1.677 43.708 42.059 -0.047 0.000 1.209 290 L HN -0.039 nan 8.230 nan 0.000 0.423 291 V N 0.440 120.175 119.914 -0.299 0.000 2.808 291 V HA 0.549 4.670 4.120 0.001 0.000 0.308 291 V C -0.041 175.836 176.094 -0.361 0.000 1.099 291 V CA -0.683 61.293 62.300 -0.540 0.000 0.920 291 V CB 1.480 32.693 31.823 -1.018 0.000 1.014 291 V HN 0.789 nan 8.190 nan 0.000 0.425 292 T N 1.415 115.768 114.554 -0.336 0.000 2.904 292 T HA 0.796 5.146 4.350 0.001 0.000 0.290 292 T C -0.218 174.397 174.700 -0.143 0.000 1.018 292 T CA -0.455 61.528 62.100 -0.195 0.000 1.075 292 T CB 1.655 70.428 68.868 -0.159 0.000 0.986 292 T HN 1.018 nan 8.240 nan 0.000 0.523 293 V N 1.386 121.287 119.914 -0.022 0.000 3.181 293 V HA 0.639 4.760 4.120 0.001 0.000 0.308 293 V C -1.505 174.692 176.094 0.172 0.000 1.214 293 V CA -1.080 61.291 62.300 0.120 0.000 1.053 293 V CB 2.425 34.329 31.823 0.136 0.000 1.069 293 V HN 0.941 nan 8.190 nan 0.000 0.441 294 F N 4.142 124.148 119.950 0.093 0.000 2.443 294 F HA 0.545 5.072 4.527 0.001 0.000 0.369 294 F C -2.017 173.835 175.800 0.086 0.000 1.090 294 F CA -2.319 55.732 58.000 0.086 0.000 1.129 294 F CB 1.916 40.973 39.000 0.095 0.000 1.367 294 F HN 0.288 nan 8.300 nan 0.000 0.465 295 P HA -0.301 nan 4.420 nan 0.000 0.214 295 P C 1.594 179.013 177.300 0.200 0.000 1.172 295 P CA 2.217 65.387 63.100 0.116 0.000 0.925 295 P CB 0.136 31.839 31.700 0.005 0.000 0.793 296 E N -0.717 119.620 120.200 0.228 0.000 2.086 296 E HA -0.243 4.108 4.350 0.001 0.000 0.205 296 E C 1.747 178.507 176.600 0.267 0.000 1.027 296 E CA 2.021 58.590 56.400 0.280 0.000 0.830 296 E CB -0.474 29.476 29.700 0.417 0.000 0.751 296 E HN -0.017 nan 8.360 nan 0.000 0.456 297 V N -0.134 119.995 119.914 0.359 0.000 2.331 297 V HA -0.157 3.963 4.120 0.001 0.000 0.242 297 V C 2.405 178.555 176.094 0.094 0.000 1.034 297 V CA 1.116 63.487 62.300 0.118 0.000 1.027 297 V CB 0.063 31.840 31.823 -0.077 0.000 0.667 297 V HN 0.206 nan 8.190 nan 0.000 0.457 298 V N 1.649 121.666 119.914 0.172 0.000 2.324 298 V HA -0.311 3.809 4.120 0.001 0.000 0.250 298 V C 2.381 178.553 176.094 0.130 0.000 1.060 298 V CA 2.522 64.916 62.300 0.157 0.000 1.042 298 V CB -0.940 31.037 31.823 0.255 0.000 0.650 298 V HN 0.772 nan 8.190 nan 0.000 0.450 299 K N -0.117 120.358 120.400 0.124 0.000 2.555 299 K HA -0.052 4.269 4.320 0.001 0.000 0.193 299 K C 0.924 177.557 176.600 0.056 0.000 1.032 299 K CA 1.013 57.354 56.287 0.091 0.000 1.004 299 K CB 0.080 32.628 32.500 0.080 0.000 0.804 299 K HN 0.354 nan 8.250 nan 0.000 0.496 300 E N 1.046 121.267 120.200 0.035 0.000 2.624 300 E HA 0.206 4.556 4.350 0.001 0.000 0.210 300 E C -0.441 176.130 176.600 -0.048 0.000 0.997 300 E CA -0.221 56.180 56.400 0.001 0.000 0.999 300 E CB 0.473 30.178 29.700 0.008 0.000 1.040 300 E HN 0.337 nan 8.360 nan 0.000 0.469 301 I N 2.023 122.541 120.570 -0.086 0.000 2.347 301 I HA 0.036 4.206 4.170 0.001 0.000 0.294 301 I C 0.263 176.268 176.117 -0.188 0.000 1.090 301 I CA -0.448 60.722 61.300 -0.216 0.000 1.314 301 I CB 0.964 38.646 38.000 -0.530 0.000 1.423 301 I HN -0.295 nan 8.210 nan 0.000 0.503 302 V N 10.080 129.906 119.914 -0.146 0.000 2.403 302 V HA 0.084 4.205 4.120 0.001 0.000 0.265 302 V C -1.742 174.165 176.094 -0.311 0.000 1.034 302 V CA -1.178 60.998 62.300 -0.206 0.000 1.036 302 V CB -0.246 31.505 31.823 -0.120 0.000 1.032 302 V HN 0.581 nan 8.190 nan 0.000 0.478 303 P HA 0.350 nan 4.420 nan 0.000 0.282 303 P C -1.081 175.986 177.300 -0.389 0.000 1.262 303 P CA -0.108 62.887 63.100 -0.175 0.000 0.773 303 P CB 0.576 32.334 31.700 0.095 0.000 0.879 304 F N 1.147 121.116 119.950 0.032 0.000 2.540 304 F HA 0.370 4.898 4.527 0.001 0.000 0.317 304 F C 0.477 176.306 175.800 0.048 0.000 1.104 304 F CA -0.383 57.634 58.000 0.029 0.000 0.913 304 F CB 2.128 41.133 39.000 0.009 0.000 1.170 304 F HN 0.211 nan 8.300 nan 0.000 0.450 305 S N 3.319 119.146 115.700 0.213 0.000 2.640 305 S HA 0.770 5.240 4.470 0.001 0.000 0.320 305 S C -1.176 173.506 174.600 0.138 0.000 1.097 305 S CA -0.758 57.533 58.200 0.152 0.000 1.092 305 S CB 0.807 64.067 63.200 0.100 0.000 0.988 305 S HN 0.376 nan 8.310 nan 0.000 0.470 306 L N 3.587 124.905 121.223 0.159 0.000 2.289 306 L HA 0.642 4.983 4.340 0.001 0.000 0.285 306 L C 0.479 177.479 176.870 0.216 0.000 1.049 306 L CA -0.173 54.768 54.840 0.169 0.000 0.804 306 L CB 0.708 42.876 42.059 0.181 0.000 1.195 306 L HN 0.690 nan 8.230 nan 0.000 0.428 307 R N 2.574 123.090 120.500 0.027 0.000 2.837 307 R HA 0.665 5.006 4.340 0.001 0.000 0.271 307 R C -2.665 173.382 176.300 -0.422 0.000 0.993 307 R CA -1.976 53.955 56.100 -0.282 0.000 0.931 307 R CB 0.944 31.125 30.300 -0.199 0.000 1.206 307 R HN 0.274 nan 8.270 nan 0.000 0.474 308 P HA 0.085 nan 4.420 nan 0.000 0.271 308 P C -1.190 175.970 177.300 -0.234 0.000 1.216 308 P CA 0.243 63.048 63.100 -0.492 0.000 0.776 308 P CB 0.546 31.909 31.700 -0.561 0.000 0.881 309 D N 2.836 123.160 120.400 -0.128 0.000 2.861 309 D HA 0.221 4.862 4.640 0.001 0.000 0.216 309 D C -2.545 173.737 176.300 -0.030 0.000 1.323 309 D CA -1.816 52.138 54.000 -0.077 0.000 0.917 309 D CB 1.346 42.104 40.800 -0.070 0.000 1.582 309 D HN -0.009 nan 8.370 nan 0.000 0.576 310 P HA 0.095 nan 4.420 nan 0.000 0.249 310 P C 0.500 177.812 177.300 0.019 0.000 1.229 310 P CA 0.400 63.503 63.100 0.006 0.000 0.788 310 P CB 0.351 32.051 31.700 -0.000 0.000 1.072 311 S N -2.396 113.314 115.700 0.015 0.000 2.574 311 S HA 0.297 4.768 4.470 0.001 0.000 0.242 311 S C 0.294 174.927 174.600 0.054 0.000 0.982 311 S CA -0.274 57.943 58.200 0.029 0.000 0.977 311 S CB -0.389 62.821 63.200 0.017 0.000 0.814 311 S HN -0.203 nan 8.310 nan 0.000 0.464 312 S N 2.401 118.145 115.700 0.073 0.000 2.538 312 S HA 0.529 5.000 4.470 0.001 0.000 0.288 312 S C -2.136 172.605 174.600 0.236 0.000 1.108 312 S CA -1.110 57.181 58.200 0.151 0.000 0.971 312 S CB 1.925 65.157 63.200 0.054 0.000 1.041 312 S HN 0.063 nan 8.310 nan 0.000 0.483 313 P HA -0.210 nan 4.420 nan 0.000 0.209 313 P C 1.266 178.749 177.300 0.306 0.000 1.167 313 P CA 1.647 64.886 63.100 0.232 0.000 0.941 313 P CB -0.217 31.508 31.700 0.042 0.000 0.787 314 Y N -2.620 117.699 120.300 0.031 0.000 2.465 314 Y HA 0.014 4.564 4.550 0.001 0.000 0.289 314 Y C 1.824 177.757 175.900 0.055 0.000 1.150 314 Y CA -0.009 58.114 58.100 0.038 0.000 1.293 314 Y CB -1.175 37.306 38.460 0.034 0.000 0.977 314 Y HN 0.167 nan 8.280 nan 0.000 0.556 315 G N 0.367 109.289 108.800 0.203 0.000 2.176 315 G HA2 -0.241 3.720 3.960 0.001 0.000 0.232 315 G HA3 -0.241 3.720 3.960 0.001 0.000 0.232 315 G C -0.088 174.803 174.900 -0.015 0.000 0.986 315 G CA 0.176 45.325 45.100 0.082 0.000 0.643 315 G HN 0.299 nan 8.290 nan 0.000 0.522 316 M N 0.355 119.831 119.600 -0.205 0.000 2.598 316 M HA 0.466 4.946 4.480 0.001 0.000 0.317 316 M C -0.548 175.474 176.300 -0.464 0.000 1.179 316 M CA -0.845 54.292 55.300 -0.271 0.000 0.936 316 M CB 2.040 34.507 32.600 -0.221 0.000 1.713 316 M HN 0.118 nan 8.290 nan 0.000 0.460 317 N N 2.429 120.993 118.700 -0.226 0.000 2.314 317 N HA 0.595 5.336 4.740 0.001 0.000 0.294 317 N C -2.144 173.319 175.510 -0.078 0.000 1.029 317 N CA -0.342 52.618 53.050 -0.151 0.000 0.845 317 N CB 2.286 40.727 38.487 -0.077 0.000 1.321 317 N HN 0.817 nan 8.380 nan 0.000 0.481 318 I N 2.412 122.962 120.570 -0.034 0.000 2.509 318 I HA 0.505 4.675 4.170 0.001 0.000 0.293 318 I C -1.056 175.125 176.117 0.107 0.000 1.020 318 I CA -0.781 60.547 61.300 0.046 0.000 1.088 318 I CB 1.349 39.371 38.000 0.036 0.000 1.267 318 I HN 0.488 nan 8.210 nan 0.000 0.430 319 R N 5.583 126.174 120.500 0.152 0.000 2.621 319 R HA 0.415 4.755 4.340 0.001 0.000 0.284 319 R C -0.971 175.443 176.300 0.189 0.000 0.998 319 R CA -0.931 55.259 56.100 0.150 0.000 0.895 319 R CB 2.404 32.750 30.300 0.076 0.000 1.195 319 R HN 0.564 nan 8.270 nan 0.000 0.450 320 R N 2.363 122.953 120.500 0.152 0.000 2.248 320 R HA 0.056 4.397 4.340 0.001 0.000 0.328 320 R C -0.435 175.777 176.300 -0.148 0.000 1.067 320 R CA -0.221 55.815 56.100 -0.106 0.000 0.924 320 R CB 0.629 30.890 30.300 -0.065 0.000 1.013 320 R HN 0.446 nan 8.270 nan 0.000 0.454 321 E N 3.199 123.271 120.200 -0.214 0.000 2.373 321 E HA -0.034 4.317 4.350 0.001 0.000 0.267 321 E C 0.266 176.788 176.600 -0.129 0.000 1.032 321 E CA 0.035 56.363 56.400 -0.121 0.000 0.889 321 E CB 1.153 30.804 29.700 -0.081 0.000 0.984 321 E HN 0.619 nan 8.360 nan 0.000 0.425 322 E N 1.806 121.963 120.200 -0.071 0.000 2.127 322 E HA -0.006 4.345 4.350 0.001 0.000 0.191 322 E C 0.032 176.607 176.600 -0.041 0.000 0.964 322 E CA 0.542 56.908 56.400 -0.056 0.000 0.832 322 E CB 0.225 29.905 29.700 -0.034 0.000 0.790 322 E HN 0.362 nan 8.360 nan 0.000 0.465 323 K N 1.324 121.706 120.400 -0.030 0.000 2.234 323 K HA 0.027 4.347 4.320 0.001 0.000 0.251 323 K C 0.802 177.395 176.600 -0.011 0.000 1.011 323 K CA 0.155 56.430 56.287 -0.019 0.000 0.889 323 K CB 0.085 32.575 32.500 -0.017 0.000 1.011 323 K HN 0.053 nan 8.250 nan 0.000 0.505 324 T N -1.477 113.078 114.554 0.001 0.000 2.795 324 T HA -0.068 4.282 4.350 0.001 0.000 0.314 324 T C 0.999 175.734 174.700 0.058 0.000 1.069 324 T CA -0.363 61.754 62.100 0.028 0.000 1.071 324 T CB 0.227 69.110 68.868 0.026 0.000 0.988 324 T HN 0.451 nan 8.240 nan 0.000 0.543 325 F N 1.459 121.359 119.950 -0.083 0.000 2.069 325 F HA -0.005 4.522 4.527 0.000 0.000 0.298 325 F C 2.079 177.822 175.800 -0.096 0.000 1.113 325 F CA 1.226 59.154 58.000 -0.120 0.000 1.214 325 F CB -1.031 37.863 39.000 -0.176 0.000 0.978 325 F HN 0.569 nan 8.300 nan 0.000 0.474 326 L N 0.038 121.141 121.223 -0.201 0.000 2.089 326 L HA -0.280 4.060 4.340 0.001 0.000 0.213 326 L C 2.404 179.170 176.870 -0.173 0.000 1.079 326 L CA 1.942 56.646 54.840 -0.226 0.000 0.758 326 L CB -0.698 41.339 42.059 -0.036 0.000 0.891 326 L HN 0.261 nan 8.230 nan 0.000 0.433 327 E N -0.670 119.466 120.200 -0.106 0.000 2.028 327 E HA -0.151 4.199 4.350 0.001 0.000 0.190 327 E C 1.968 178.518 176.600 -0.083 0.000 0.984 327 E CA 1.093 57.453 56.400 -0.067 0.000 0.800 327 E CB -0.081 29.598 29.700 -0.035 0.000 0.758 327 E HN 0.227 nan 8.360 nan 0.000 0.448 328 V N 1.295 121.151 119.914 -0.096 0.000 3.440 328 V HA -0.120 4.000 4.120 0.001 0.000 0.274 328 V C 1.514 177.543 176.094 -0.107 0.000 1.207 328 V CA 0.849 63.106 62.300 -0.070 0.000 1.183 328 V CB -0.251 31.562 31.823 -0.017 0.000 0.837 328 V HN 0.114 nan 8.190 nan 0.000 0.532 329 V N -1.021 118.781 119.914 -0.187 0.000 3.013 329 V HA 0.172 4.292 4.120 0.001 0.000 0.238 329 V C 2.338 178.427 176.094 -0.009 0.000 1.161 329 V CA 1.115 63.334 62.300 -0.136 0.000 1.170 329 V CB 0.331 31.959 31.823 -0.324 0.000 0.917 329 V HN 0.473 nan 8.190 nan 0.000 0.478 330 A N 1.849 124.652 122.820 -0.029 0.000 1.836 330 A HA -0.267 4.053 4.320 0.001 0.000 0.215 330 A C 1.959 179.553 177.584 0.016 0.000 1.214 330 A CA 2.323 54.368 52.037 0.013 0.000 0.636 330 A CB -0.872 18.125 19.000 -0.006 0.000 0.847 330 A HN 0.709 nan 8.150 nan 0.000 0.451 331 E N 0.506 120.706 120.200 -0.001 0.000 2.393 331 E HA -0.141 4.209 4.350 0.001 0.000 0.201 331 E C 1.606 178.214 176.600 0.013 0.000 1.025 331 E CA 1.655 58.058 56.400 0.005 0.000 0.856 331 E CB -0.737 28.962 29.700 -0.003 0.000 0.771 331 E HN 0.467 nan 8.360 nan 0.000 0.526 332 S N -0.658 115.054 115.700 0.020 0.000 2.496 332 S HA 0.103 4.573 4.470 0.001 0.000 0.224 332 S C 1.507 176.135 174.600 0.048 0.000 0.996 332 S CA 0.186 58.407 58.200 0.036 0.000 0.927 332 S CB -0.137 63.092 63.200 0.049 0.000 0.774 332 S HN 0.403 nan 8.310 nan 0.000 0.524 333 L N 0.277 121.531 121.223 0.051 0.000 2.554 333 L HA 0.331 4.671 4.340 0.001 0.000 0.225 333 L C 1.663 178.554 176.870 0.034 0.000 1.104 333 L CA 0.536 55.407 54.840 0.052 0.000 0.866 333 L CB -0.102 42.001 42.059 0.073 0.000 1.047 333 L HN 0.564 nan 8.230 nan 0.000 0.468 334 G N 0.877 109.692 108.800 0.026 0.000 2.132 334 G HA2 -0.239 3.721 3.960 0.001 0.000 0.234 334 G HA3 -0.239 3.721 3.960 0.001 0.000 0.234 334 G C 0.004 174.914 174.900 0.015 0.000 0.989 334 G CA -0.146 44.963 45.100 0.016 0.000 0.676 334 G HN 0.210 nan 8.290 nan 0.000 0.522 335 L N -0.406 120.829 121.223 0.021 0.000 2.331 335 L HA 0.517 4.858 4.340 0.001 0.000 0.275 335 L C 1.692 178.570 176.870 0.013 0.000 1.022 335 L CA -1.303 53.549 54.840 0.020 0.000 0.812 335 L CB 1.107 43.185 42.059 0.032 0.000 1.257 335 L HN -0.181 nan 8.230 nan 0.000 0.435 336 K N 1.126 121.531 120.400 0.008 0.000 2.002 336 K HA -0.050 4.271 4.320 0.001 0.000 0.209 336 K C 0.508 177.109 176.600 0.002 0.000 1.048 336 K CA 1.541 57.830 56.287 0.003 0.000 0.930 336 K CB 0.122 32.623 32.500 0.002 0.000 0.714 336 K HN 0.523 nan 8.250 nan 0.000 0.438 337 K N -0.628 119.775 120.400 0.004 0.000 2.469 337 K HA 0.385 4.706 4.320 0.001 0.000 0.268 337 K C -1.377 175.227 176.600 0.007 0.000 1.027 337 K CA -0.601 55.687 56.287 0.001 0.000 0.893 337 K CB 1.385 33.883 32.500 -0.003 0.000 1.460 337 K HN -0.101 nan 8.250 nan 0.000 0.449 338 L N 2.173 123.396 121.223 0.000 0.000 2.346 338 L HA 0.540 4.881 4.340 0.001 0.000 0.274 338 L C -0.173 176.685 176.870 -0.020 0.000 1.007 338 L CA -1.008 53.831 54.840 -0.002 0.000 0.818 338 L CB 1.898 43.952 42.059 -0.007 0.000 1.284 338 L HN 0.585 nan 8.230 nan 0.000 0.424 339 R N 1.870 122.353 120.500 -0.028 0.000 2.340 339 R HA 0.489 4.829 4.340 0.001 0.000 0.300 339 R C -1.110 175.150 176.300 -0.067 0.000 1.069 339 R CA -0.478 55.598 56.100 -0.039 0.000 0.984 339 R CB 1.410 31.688 30.300 -0.036 0.000 1.003 339 R HN 0.278 nan 8.270 nan 0.000 0.459 340 V N 3.670 123.548 119.914 -0.060 0.000 2.487 340 V HA 0.280 4.400 4.120 0.001 0.000 0.298 340 V C -0.253 175.795 176.094 -0.077 0.000 1.028 340 V CA -0.859 61.399 62.300 -0.071 0.000 0.860 340 V CB 2.035 33.837 31.823 -0.035 0.000 0.991 340 V HN 0.442 nan 8.190 nan 0.000 0.427 341 V N 4.278 124.131 119.914 -0.101 0.000 2.293 341 V HA 0.318 4.438 4.120 0.001 0.000 0.275 341 V C 0.246 176.280 176.094 -0.100 0.000 1.021 341 V CA -0.589 61.644 62.300 -0.113 0.000 0.815 341 V CB 1.044 32.783 31.823 -0.139 0.000 1.025 341 V HN 0.918 nan 8.190 nan 0.000 0.448 342 E N 3.323 123.474 120.200 -0.081 0.000 2.344 342 E HA 0.469 4.820 4.350 0.001 0.000 0.270 342 E C 0.195 176.737 176.600 -0.096 0.000 1.021 342 E CA 0.024 56.384 56.400 -0.066 0.000 0.887 342 E CB 1.101 30.773 29.700 -0.047 0.000 0.997 342 E HN 0.823 nan 8.360 nan 0.000 0.429 343 T N -0.446 114.045 114.554 -0.105 0.000 2.889 343 T HA 0.686 5.036 4.350 0.001 0.000 0.315 343 T C 0.076 174.655 174.700 -0.203 0.000 1.291 343 T CA -0.300 61.719 62.100 -0.134 0.000 1.028 343 T CB 1.898 70.688 68.868 -0.130 0.000 1.235 343 T HN 0.823 nan 8.240 nan 0.000 0.491 352 R N 1.680 121.932 120.500 -0.412 0.000 2.338 352 R HA 0.291 4.632 4.340 0.001 0.000 0.317 352 R C 0.146 176.151 176.300 -0.491 0.000 0.968 352 R CA 0.049 55.579 56.100 -0.951 0.000 0.849 352 R CB 1.543 30.241 30.300 -2.670 0.000 1.128 352 R HN 0.551 nan 8.270 nan 0.000 0.448 353 E N 2.101 122.107 120.200 -0.324 0.000 2.005 353 E HA -0.233 4.117 4.350 0.001 0.000 0.198 353 E C 0.119 176.647 176.600 -0.120 0.000 1.010 353 E CA 1.743 58.047 56.400 -0.159 0.000 0.825 353 E CB 0.168 29.813 29.700 -0.091 0.000 0.769 353 E HN 0.715 nan 8.360 nan 0.000 0.456 354 Q N -1.040 118.702 119.800 -0.096 0.000 2.416 354 Q HA 0.188 4.528 4.340 0.001 0.000 0.279 354 Q C -0.999 175.033 176.000 0.054 0.000 1.101 354 Q CA -0.971 54.835 55.803 0.006 0.000 0.830 354 Q CB 0.901 29.667 28.738 0.047 0.000 1.402 354 Q HN 0.204 nan 8.270 nan 0.000 0.445 355 W N 2.807 124.089 121.300 -0.031 0.000 2.089 355 W HA 0.220 4.880 4.660 0.000 0.000 0.355 355 W C -0.746 175.794 176.519 0.035 0.000 1.305 355 W CA 1.505 58.849 57.345 -0.001 0.000 1.281 355 W CB 0.657 30.123 29.460 0.010 0.000 1.183 355 W HN 0.875 nan 8.180 nan 0.000 0.604 356 D N 2.503 122.241 120.400 -1.103 0.000 2.766 356 D HA 0.073 4.714 4.640 0.001 0.000 0.244 356 D C -2.221 173.297 176.300 -1.303 0.000 1.198 356 D CA -0.650 52.680 54.000 -1.117 0.000 0.739 356 D CB 1.081 41.665 40.800 -0.360 0.000 1.379 356 D HN 0.321 nan 8.370 nan 0.000 0.437 357 D N 0.237 120.074 120.400 -0.939 0.000 2.549 357 D HA 0.498 5.138 4.640 0.001 0.000 0.251 357 D C 0.101 176.295 176.300 -0.176 0.000 1.153 357 D CA -0.471 53.273 54.000 -0.425 0.000 0.861 357 D CB 1.655 42.361 40.800 -0.157 0.000 1.207 357 D HN 0.532 nan 8.370 nan 0.000 0.543 358 G N 3.396 112.124 108.800 -0.119 0.000 3.690 358 G HA2 0.017 3.977 3.960 0.001 0.000 0.283 358 G HA3 0.017 3.977 3.960 0.001 0.000 0.283 358 G C 0.670 175.536 174.900 -0.056 0.000 1.057 358 G CA -0.365 44.691 45.100 -0.073 0.000 0.821 358 G HN 0.342 nan 8.290 nan 0.000 0.526 359 N N 1.128 119.819 118.700 -0.014 0.000 2.255 359 N HA -0.007 4.733 4.740 0.001 0.000 0.253 359 N C 0.790 176.285 175.510 -0.025 0.000 1.313 359 N CA 0.093 53.138 53.050 -0.008 0.000 0.912 359 N CB 0.057 38.586 38.487 0.071 0.000 1.145 359 N HN 0.228 nan 8.380 nan 0.000 0.511 360 N N -0.560 118.123 118.700 -0.030 0.000 2.754 360 N HA -0.182 4.559 4.740 0.001 0.000 0.248 360 N C -0.829 174.636 175.510 -0.076 0.000 1.093 360 N CA 0.219 53.259 53.050 -0.017 0.000 0.699 360 N CB -1.099 37.404 38.487 0.028 0.000 1.016 360 N HN 0.325 nan 8.380 nan 0.000 0.552 361 V N -2.405 117.436 119.914 -0.122 0.000 2.863 361 V HA 0.728 4.848 4.120 0.001 0.000 0.307 361 V C 0.829 176.878 176.094 -0.075 0.000 1.061 361 V CA -0.787 61.439 62.300 -0.123 0.000 1.024 361 V CB 2.064 33.816 31.823 -0.120 0.000 1.049 361 V HN -0.020 nan 8.190 nan 0.000 0.471 362 V N 2.944 122.859 119.914 0.000 0.000 2.417 362 V HA 0.426 4.546 4.120 0.001 0.000 0.291 362 V C 0.019 176.143 176.094 0.051 0.000 1.024 362 V CA -0.375 61.972 62.300 0.079 0.000 0.861 362 V CB 1.207 33.146 31.823 0.193 0.000 0.985 362 V HN 1.210 nan 8.190 nan 0.000 0.436 363 C N 7.087 126.409 119.300 0.036 0.000 2.576 363 C HA 0.269 4.729 4.460 0.001 0.000 0.401 363 C C 1.756 176.758 174.990 0.020 0.000 1.314 363 C CA -0.412 58.617 59.018 0.018 0.000 1.855 363 C CB -0.331 27.416 27.740 0.011 0.000 2.537 363 C HN 0.879 nan 8.230 nan 0.000 0.578 364 L N 2.764 123.990 121.223 0.006 0.000 2.477 364 L HA 0.176 4.516 4.340 0.001 0.000 0.220 364 L C 1.017 177.878 176.870 -0.015 0.000 1.106 364 L CA 0.801 55.636 54.840 -0.010 0.000 0.851 364 L CB -0.516 41.532 42.059 -0.018 0.000 0.994 364 L HN 0.900 nan 8.230 nan 0.000 0.462 365 E N -2.241 117.952 120.200 -0.011 0.000 2.343 365 E HA 0.159 4.509 4.350 0.001 0.000 0.275 365 E C -2.948 173.645 176.600 -0.012 0.000 1.225 365 E CA -1.381 55.011 56.400 -0.014 0.000 0.947 365 E CB -0.027 29.663 29.700 -0.017 0.000 1.273 365 E HN -0.307 nan 8.360 nan 0.000 0.405 366 P HA 0.054 nan 4.420 nan 0.000 0.264 366 P C 0.831 178.124 177.300 -0.011 0.000 1.179 366 P CA 2.321 65.415 63.100 -0.010 0.000 0.763 366 P CB 0.298 31.992 31.700 -0.011 0.000 0.806 367 G N 1.212 110.005 108.800 -0.011 0.000 2.200 367 G HA2 -0.246 3.715 3.960 0.001 0.000 0.268 367 G HA3 -0.246 3.715 3.960 0.001 0.000 0.268 367 G C 0.030 174.920 174.900 -0.018 0.000 0.986 367 G CA 0.232 45.322 45.100 -0.016 0.000 0.677 367 G HN 0.532 nan 8.290 nan 0.000 0.532 368 V N 0.647 120.552 119.914 -0.015 0.000 2.376 368 V HA 0.646 4.766 4.120 0.001 0.000 0.287 368 V C -0.008 176.080 176.094 -0.011 0.000 1.015 368 V CA -0.647 61.645 62.300 -0.014 0.000 0.834 368 V CB 1.842 33.656 31.823 -0.015 0.000 1.001 368 V HN 0.422 nan 8.190 nan 0.000 0.428 369 V N 4.866 124.772 119.914 -0.013 0.000 2.709 369 V HA 0.533 4.653 4.120 0.001 0.000 0.308 369 V C -0.299 175.794 176.094 -0.002 0.000 1.062 369 V CA -0.875 61.418 62.300 -0.012 0.000 0.901 369 V CB 2.191 33.994 31.823 -0.034 0.000 1.003 369 V HN 0.478 nan 8.190 nan 0.000 0.425 370 V N 3.289 123.217 119.914 0.024 0.000 2.407 370 V HA 0.826 4.946 4.120 0.001 0.000 0.278 370 V C 0.801 176.860 176.094 -0.059 0.000 1.037 370 V CA 0.520 62.844 62.300 0.040 0.000 0.900 370 V CB 1.167 33.108 31.823 0.197 0.000 0.983 370 V HN 1.110 nan 8.190 nan 0.000 0.459 371 G N 3.106 111.855 108.800 -0.084 0.000 3.015 371 G HA2 0.599 4.559 3.960 0.001 0.000 0.281 371 G HA3 0.599 4.559 3.960 0.001 0.000 0.281 371 G C -1.531 173.299 174.900 -0.117 0.000 1.386 371 G CA -0.695 44.313 45.100 -0.154 0.000 0.959 371 G HN 0.461 nan 8.290 nan 0.000 0.522 372 Y N 0.063 120.334 120.300 -0.049 0.000 2.335 372 Y HA 0.181 4.731 4.550 0.001 0.000 0.323 372 Y C 1.743 177.626 175.900 -0.028 0.000 1.224 372 Y CA -0.536 57.537 58.100 -0.044 0.000 1.241 372 Y CB 1.776 40.211 38.460 -0.040 0.000 1.235 372 Y HN 0.699 nan 8.280 nan 0.000 0.492 373 D N 0.713 121.226 120.400 0.188 0.000 2.144 373 D HA -0.210 4.431 4.640 0.001 0.000 0.200 373 D C 1.570 177.908 176.300 0.063 0.000 0.978 373 D CA 1.350 55.404 54.000 0.089 0.000 0.833 373 D CB -0.346 40.491 40.800 0.063 0.000 0.961 373 D HN 0.667 nan 8.370 nan 0.000 0.470 374 R N 0.251 120.783 120.500 0.052 0.000 2.235 374 R HA 0.049 4.390 4.340 0.001 0.000 0.213 374 R C 0.397 176.712 176.300 0.025 0.000 1.059 374 R CA 0.636 56.752 56.100 0.025 0.000 0.997 374 R CB -0.584 29.710 30.300 -0.010 0.000 0.884 374 R HN -0.015 nan 8.270 nan 0.000 0.462 375 N N 2.085 120.809 118.700 0.040 0.000 3.052 375 N HA -0.006 4.734 4.740 0.001 0.000 0.302 375 N C 0.243 175.765 175.510 0.021 0.000 1.332 375 N CA 0.620 53.673 53.050 0.005 0.000 1.129 375 N CB 1.018 39.497 38.487 -0.014 0.000 1.436 375 N HN 0.360 nan 8.380 nan 0.000 0.536 376 T N -1.788 112.790 114.554 0.040 0.000 2.680 376 T HA -0.294 4.057 4.350 0.001 0.000 0.268 376 T C 1.663 176.419 174.700 0.094 0.000 1.033 376 T CA 1.162 63.295 62.100 0.055 0.000 1.152 376 T CB -0.452 68.448 68.868 0.053 0.000 0.859 376 T HN 0.351 nan 8.240 nan 0.000 0.452 377 Y N 2.265 122.534 120.300 -0.052 0.000 2.084 377 Y HA -0.044 4.506 4.550 0.001 0.000 0.279 377 Y C 2.874 178.736 175.900 -0.064 0.000 1.119 377 Y CA 1.535 59.601 58.100 -0.057 0.000 1.101 377 Y CB -1.042 37.374 38.460 -0.074 0.000 0.989 377 Y HN 0.173 nan 8.280 nan 0.000 0.484 378 T N 1.597 116.055 114.554 -0.161 0.000 2.721 378 T HA -0.229 4.121 4.350 0.001 0.000 0.268 378 T C 1.646 176.221 174.700 -0.208 0.000 1.038 378 T CA 1.686 63.617 62.100 -0.282 0.000 1.145 378 T CB -0.358 68.408 68.868 -0.169 0.000 0.858 378 T HN 0.375 nan 8.240 nan 0.000 0.459 379 N N 0.941 119.575 118.700 -0.111 0.000 2.043 379 N HA -0.103 4.637 4.740 0.001 0.000 0.193 379 N C 2.347 177.803 175.510 -0.090 0.000 1.037 379 N CA 2.040 55.043 53.050 -0.080 0.000 0.851 379 N CB -1.023 37.445 38.487 -0.031 0.000 1.027 379 N HN 0.645 nan 8.380 nan 0.000 0.422 380 T N -0.272 114.233 114.554 -0.082 0.000 2.788 380 T HA -0.009 4.341 4.350 0.001 0.000 0.268 380 T C 2.071 176.696 174.700 -0.125 0.000 1.044 380 T CA 0.652 62.710 62.100 -0.070 0.000 1.139 380 T CB -0.593 68.265 68.868 -0.016 0.000 0.867 380 T HN 0.111 nan 8.240 nan 0.000 0.454 381 L N -0.127 120.955 121.223 -0.236 0.000 2.353 381 L HA 0.086 4.427 4.340 0.001 0.000 0.220 381 L C 2.503 179.269 176.870 -0.175 0.000 1.133 381 L CA 0.912 55.594 54.840 -0.263 0.000 0.798 381 L CB -0.436 41.358 42.059 -0.441 0.000 0.922 381 L HN 0.322 nan 8.230 nan 0.000 0.445 382 L N -1.334 119.800 121.223 -0.147 0.000 2.316 382 L HA 0.014 4.354 4.340 0.001 0.000 0.207 382 L C 2.539 179.362 176.870 -0.079 0.000 1.070 382 L CA 0.311 55.085 54.840 -0.110 0.000 0.820 382 L CB -0.179 41.816 42.059 -0.106 0.000 0.992 382 L HN 0.124 nan 8.230 nan 0.000 0.466 383 R N 0.223 120.680 120.500 -0.071 0.000 2.280 383 R HA -0.133 4.208 4.340 0.001 0.000 0.207 383 R C 1.945 178.218 176.300 -0.046 0.000 1.043 383 R CA 0.614 56.685 56.100 -0.049 0.000 1.006 383 R CB -0.014 30.263 30.300 -0.038 0.000 0.885 383 R HN 0.294 nan 8.270 nan 0.000 0.467 384 K N 0.777 121.141 120.400 -0.059 0.000 2.186 384 K HA 0.038 4.358 4.320 0.001 0.000 0.202 384 K C 1.378 177.949 176.600 -0.048 0.000 1.052 384 K CA 0.843 57.100 56.287 -0.050 0.000 0.965 384 K CB 0.189 32.653 32.500 -0.061 0.000 0.746 384 K HN 0.050 nan 8.250 nan 0.000 0.457 385 A N 0.665 123.450 122.820 -0.059 0.000 2.327 385 A HA 0.255 4.576 4.320 0.001 0.000 0.228 385 A C 0.695 178.254 177.584 -0.041 0.000 1.275 385 A CA 0.483 52.489 52.037 -0.051 0.000 0.875 385 A CB -0.560 18.402 19.000 -0.063 0.000 0.925 385 A HN 0.472 nan 8.150 nan 0.000 0.493 386 G N -0.929 107.849 108.800 -0.037 0.000 2.289 386 G HA2 -0.094 3.867 3.960 0.001 0.000 0.280 386 G HA3 -0.094 3.867 3.960 0.001 0.000 0.280 386 G C -0.271 174.611 174.900 -0.030 0.000 1.089 386 G CA 0.159 45.241 45.100 -0.029 0.000 0.939 386 G HN 0.988 nan 8.290 nan 0.000 0.499 387 V N -0.380 119.513 119.914 -0.035 0.000 2.588 387 V HA 0.486 4.606 4.120 0.001 0.000 0.304 387 V C 0.342 176.418 176.094 -0.031 0.000 1.042 387 V CA -0.927 61.352 62.300 -0.034 0.000 0.877 387 V CB 2.049 33.845 31.823 -0.045 0.000 0.996 387 V HN 0.473 nan 8.190 nan 0.000 0.425 388 E N 3.375 123.560 120.200 -0.025 0.000 2.003 388 E HA 0.308 4.659 4.350 0.001 0.000 0.279 388 E C -0.897 175.691 176.600 -0.020 0.000 1.132 388 E CA -0.315 56.073 56.400 -0.020 0.000 0.888 388 E CB 1.003 30.693 29.700 -0.017 0.000 1.056 388 E HN 0.553 nan 8.360 nan 0.000 0.399 389 V N 7.083 126.985 119.914 -0.021 0.000 2.299 389 V HA 0.095 4.215 4.120 0.001 0.000 0.255 389 V C 0.084 176.174 176.094 -0.008 0.000 1.100 389 V CA -0.630 61.658 62.300 -0.021 0.000 0.938 389 V CB 0.041 31.846 31.823 -0.031 0.000 1.139 389 V HN 0.625 nan 8.190 nan 0.000 0.490 390 I N 5.017 125.587 120.570 0.000 0.000 2.494 390 I HA 0.156 4.326 4.170 0.001 0.000 0.289 390 I C 1.056 177.189 176.117 0.026 0.000 1.106 390 I CA 0.445 61.754 61.300 0.015 0.000 1.369 390 I CB 0.236 38.251 38.000 0.024 0.000 1.410 390 I HN 0.631 nan 8.210 nan 0.000 0.523 391 T N 5.786 120.358 114.554 0.030 0.000 2.907 391 T HA 0.863 5.213 4.350 0.001 0.000 0.284 391 T C 0.006 174.746 174.700 0.067 0.000 1.004 391 T CA -0.698 61.428 62.100 0.044 0.000 1.063 391 T CB 1.999 70.896 68.868 0.048 0.000 0.992 391 T HN 0.474 nan 8.240 nan 0.000 0.483 392 I N -1.396 119.230 120.570 0.093 0.000 3.322 392 I HA 0.699 4.869 4.170 0.001 0.000 0.313 392 I C -0.091 176.118 176.117 0.154 0.000 1.129 392 I CA -1.398 59.968 61.300 0.109 0.000 0.963 392 I CB 1.899 39.950 38.000 0.086 0.000 1.273 392 I HN 0.602 nan 8.210 nan 0.000 0.473 393 S N 0.879 116.642 115.700 0.107 0.000 2.481 393 S HA 0.506 4.977 4.470 0.001 0.000 0.276 393 S C 0.720 175.310 174.600 -0.016 0.000 1.247 393 S CA 0.074 58.306 58.200 0.053 0.000 1.053 393 S CB 0.812 64.027 63.200 0.025 0.000 0.925 393 S HN 0.753 nan 8.310 nan 0.000 0.491 394 A N 4.055 126.737 122.820 -0.229 0.000 2.195 394 A HA 0.163 4.483 4.320 0.001 0.000 0.210 394 A C 2.102 179.512 177.584 -0.291 0.000 1.165 394 A CA 0.767 52.402 52.037 -0.671 0.000 0.806 394 A CB -0.587 17.771 19.000 -1.070 0.000 0.847 394 A HN 0.808 nan 8.150 nan 0.000 0.482 395 S N -0.603 115.025 115.700 -0.121 0.000 2.462 395 S HA -0.159 4.311 4.470 0.001 0.000 0.243 395 S C 1.521 176.136 174.600 0.025 0.000 1.003 395 S CA 1.904 60.089 58.200 -0.026 0.000 0.970 395 S CB -0.100 63.118 63.200 0.029 0.000 0.762 395 S HN 0.599 nan 8.310 nan 0.000 0.510 396 E N -0.633 119.578 120.200 0.019 0.000 2.879 396 E HA 0.201 4.552 4.350 0.001 0.000 0.206 396 E C 1.621 178.278 176.600 0.095 0.000 0.969 396 E CA 0.094 56.543 56.400 0.082 0.000 1.496 396 E CB -0.848 28.904 29.700 0.085 0.000 1.454 396 E HN 0.331 nan 8.360 nan 0.000 0.750 397 L N 1.091 122.364 121.223 0.083 0.000 2.265 397 L HA 0.016 4.357 4.340 0.001 0.000 0.215 397 L C 2.015 179.009 176.870 0.206 0.000 1.117 397 L CA 1.935 56.880 54.840 0.174 0.000 0.782 397 L CB -0.562 41.626 42.059 0.215 0.000 0.914 397 L HN 0.229 nan 8.230 nan 0.000 0.441 398 G N -2.010 106.784 108.800 -0.010 0.000 3.044 398 G HA2 0.000 3.961 3.960 0.001 0.000 0.223 398 G HA3 0.000 3.961 3.960 0.001 0.000 0.223 398 G C 1.642 176.529 174.900 -0.022 0.000 1.123 398 G CA -0.294 44.740 45.100 -0.110 0.000 0.765 398 G HN 0.199 nan 8.290 nan 0.000 0.546 399 R N 0.439 120.951 120.500 0.021 0.000 2.152 399 R HA -0.040 4.301 4.340 0.001 0.000 0.232 399 R C 2.185 178.500 176.300 0.025 0.000 1.117 399 R CA 0.845 56.967 56.100 0.037 0.000 0.981 399 R CB -0.128 30.217 30.300 0.075 0.000 0.870 399 R HN 0.235 nan 8.270 nan 0.000 0.451 400 G N 1.346 110.172 108.800 0.043 0.000 3.340 400 G HA2 -0.072 3.888 3.960 0.001 0.000 0.240 400 G HA3 -0.072 3.888 3.960 0.001 0.000 0.240 400 G C 0.140 175.049 174.900 0.014 0.000 1.327 400 G CA -0.231 44.835 45.100 -0.056 0.000 1.170 400 G HN 0.380 nan 8.290 nan 0.000 0.520 401 R N -2.793 117.722 120.500 0.026 0.000 4.024 401 R HA -0.216 4.125 4.340 0.001 0.000 0.372 401 R C 0.891 177.201 176.300 0.016 0.000 1.192 401 R CA 1.021 57.142 56.100 0.035 0.000 1.183 401 R CB -2.165 28.144 30.300 0.014 0.000 1.672 401 R HN 0.550 nan 8.270 nan 0.000 0.571 402 G N -0.860 107.939 108.800 -0.002 0.000 2.489 402 G HA2 0.724 4.684 3.960 0.001 0.000 0.327 402 G HA3 0.724 4.684 3.960 0.001 0.000 0.327 402 G C -0.030 174.975 174.900 0.174 0.000 1.189 402 G CA -0.210 44.804 45.100 -0.143 0.000 0.962 402 G HN 0.314 nan 8.290 nan 0.000 0.486 403 G N -1.043 107.800 108.800 0.073 0.000 3.107 403 G HA2 0.531 4.492 3.960 0.001 0.000 0.233 403 G HA3 0.531 4.492 3.960 0.001 0.000 0.233 403 G C 1.077 175.880 174.900 -0.161 0.000 1.168 403 G CA 0.638 45.734 45.100 -0.007 0.000 0.801 403 G HN 1.093 nan 8.290 nan 0.000 0.605 404 G N -0.893 107.663 108.800 -0.407 0.000 2.679 404 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 404 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 404 G C 1.447 176.392 174.900 0.076 0.000 1.267 404 G CA 1.757 46.719 45.100 -0.230 0.000 0.799 404 G HN 0.688 nan 8.290 nan 0.000 0.606 405 H N -0.459 118.594 119.070 -0.028 0.000 2.357 405 H HA -0.176 4.380 4.556 0.001 0.000 0.296 405 H C 2.637 178.000 175.328 0.058 0.000 1.108 405 H CA 1.383 57.452 56.048 0.034 0.000 1.273 405 H CB -0.035 29.739 29.762 0.020 0.000 1.367 405 H HN 0.377 nan 8.280 nan 0.000 0.498 406 C N 0.378 119.723 119.300 0.075 0.000 2.440 406 C HA -0.114 4.347 4.460 0.001 0.000 0.278 406 C C 2.666 177.779 174.990 0.205 0.000 1.295 406 C CA 0.643 59.663 59.018 0.002 0.000 1.738 406 C CB -0.745 26.866 27.740 -0.216 0.000 1.987 406 C HN 0.584 nan 8.230 nan 0.000 0.492 407 M N 0.638 120.412 119.600 0.290 0.000 2.618 407 M HA 0.020 4.500 4.480 0.001 0.000 0.240 407 M C 0.484 177.005 176.300 0.368 0.000 1.123 407 M CA 0.639 56.198 55.300 0.431 0.000 1.060 407 M CB -0.489 32.377 32.600 0.444 0.000 1.535 407 M HN 0.540 nan 8.290 nan 0.000 0.507 408 T N -2.475 112.233 114.554 0.256 0.000 2.876 408 T HA 0.438 4.788 4.350 0.001 0.000 0.289 408 T C -0.874 173.896 174.700 0.117 0.000 1.014 408 T CA -0.999 61.222 62.100 0.202 0.000 0.986 408 T CB 2.296 71.292 68.868 0.214 0.000 1.021 408 T HN 0.223 nan 8.240 nan 0.000 0.458 409 C N 4.939 124.317 119.300 0.130 0.000 2.437 409 C HA 0.604 5.065 4.460 0.001 0.000 0.307 409 C C -2.809 172.257 174.990 0.127 0.000 1.093 409 C CA -1.933 57.174 59.018 0.149 0.000 1.463 409 C CB -0.508 27.362 27.740 0.217 0.000 1.926 409 C HN 0.734 nan 8.230 nan 0.000 0.420 410 P HA 0.230 nan 4.420 nan 0.000 0.267 410 P C 0.355 177.560 177.300 -0.159 0.000 1.200 410 P CA 0.461 63.558 63.100 -0.005 0.000 0.772 410 P CB 0.560 32.272 31.700 0.021 0.000 0.855 411 I N 0.245 120.592 120.570 -0.372 0.000 4.578 411 I HA 0.089 4.259 4.170 0.001 0.000 0.312 411 I C -0.197 175.529 176.117 -0.652 0.000 1.224 411 I CA 0.304 61.070 61.300 -0.890 0.000 1.318 411 I CB 0.675 38.206 38.000 -0.782 0.000 1.388 411 I HN -0.014 nan 8.210 nan 0.000 0.461 412 V N 2.615 122.316 119.914 -0.355 0.000 2.462 412 V HA 0.435 4.555 4.120 0.001 0.000 0.288 412 V C -0.690 175.341 176.094 -0.106 0.000 1.020 412 V CA -0.472 61.699 62.300 -0.216 0.000 0.857 412 V CB 1.925 33.627 31.823 -0.202 0.000 1.013 412 V HN 0.188 nan 8.190 nan 0.000 0.431 413 R N 3.126 123.598 120.500 -0.046 0.000 2.507 413 R HA 0.342 4.682 4.340 0.001 0.000 0.298 413 R C -0.903 175.446 176.300 0.082 0.000 1.087 413 R CA -0.611 55.488 56.100 -0.001 0.000 0.917 413 R CB 1.217 31.509 30.300 -0.014 0.000 1.173 413 R HN 0.713 nan 8.270 nan 0.000 0.472 414 D N 5.023 125.464 120.400 0.070 0.000 2.478 414 D HA 0.011 4.651 4.640 0.001 0.000 0.234 414 D C -2.087 174.272 176.300 0.098 0.000 1.154 414 D CA -0.625 53.427 54.000 0.086 0.000 0.874 414 D CB 0.596 41.413 40.800 0.028 0.000 1.198 414 D HN 0.273 nan 8.370 nan 0.000 0.455 415 P HA 0.230 nan 4.420 nan 0.000 0.272 415 P C -0.110 177.212 177.300 0.037 0.000 1.254 415 P CA -0.100 63.055 63.100 0.092 0.000 0.795 415 P CB 0.796 32.519 31.700 0.038 0.000 1.022 416 I N -1.045 119.542 120.570 0.030 0.000 3.466 416 I HA 0.342 4.512 4.170 0.001 0.000 0.311 416 I C -0.126 175.994 176.117 0.004 0.000 1.155 416 I CA -0.827 60.475 61.300 0.004 0.000 0.959 416 I CB 1.960 39.950 38.000 -0.016 0.000 1.332 416 I HN 0.212 nan 8.210 nan 0.000 0.483 417 D N 0.000 120.399 120.400 -0.002 0.000 6.856 417 D HA 0.000 4.640 4.640 0.001 0.000 0.175 417 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 417 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 417 D HN 0.000 nan 8.370 nan 0.000 0.683