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 1woh_1_A DATA FIRST_RESID 3 DATA SEQUENCE GPAHLPYGGI PTFARAPLVQ PDGDWQADVA ALGVPFDIAL GFRPGARFAP DATA SEQUENCE RALREASLRS VPPFTGLDGK TRLQGVTFAD AGDVILPSLE PQLAHDRITE DATA SEQUENCE AARQVRGRCR VPVFLGGDHS VSYPLLRAFA DVPDLHVVQL DAHLDFTDTR DATA SEQUENCE NDTKWSNSSP FRRACEALPN LVHITTVGLR GLRFDPEAVA AARARGHTII DATA SEQUENCE PMDDVTADLA GVLAQLPRGQ NVYFSVDVDG FDPAVIPGTS SPEPDGLTYA DATA SEQUENCE QGMKILAAAA ANNTVVGLDL VELAPNLDPT GRSELLMARL VMETLCEVFD DATA SEQUENCE HVL 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 3 G C 0.000 174.852 174.900 -0.080 0.000 0.946 3 G CA 0.000 45.062 45.100 -0.064 0.000 0.502 4 P HA 0.608 nan 4.420 nan 0.000 0.269 4 P C -0.403 176.804 177.300 -0.155 0.000 1.209 4 P CA -0.009 63.023 63.100 -0.114 0.000 0.776 4 P CB 1.422 33.051 31.700 -0.118 0.000 0.876 5 A N 2.241 124.971 122.820 -0.149 0.000 2.350 5 A HA 0.420 4.741 4.320 0.002 0.000 0.324 5 A C 0.111 177.596 177.584 -0.167 0.000 1.118 5 A CA -0.739 51.203 52.037 -0.158 0.000 0.783 5 A CB 0.574 19.509 19.000 -0.109 0.000 1.236 5 A HN 0.706 nan 8.150 nan 0.000 0.457 6 H N 1.237 120.229 119.070 -0.130 0.000 2.929 6 H HA 0.085 4.642 4.556 0.002 0.000 0.358 6 H C 0.258 175.450 175.328 -0.227 0.000 1.111 6 H CA 0.550 56.491 56.048 -0.178 0.000 1.409 6 H CB 0.518 30.179 29.762 -0.167 0.000 1.373 6 H HN 0.380 nan 8.280 nan 0.000 0.610 7 L N 3.253 124.353 121.223 -0.206 0.000 2.454 7 L HA 0.103 4.444 4.340 0.002 0.000 0.256 7 L C -0.951 175.701 176.870 -0.364 0.000 1.136 7 L CA -1.637 52.985 54.840 -0.362 0.000 0.804 7 L CB 0.084 41.699 42.059 -0.740 0.000 1.181 7 L HN 0.410 nan 8.230 nan 0.000 0.469 8 P HA -0.185 nan 4.420 nan 0.000 0.217 8 P C 0.959 178.215 177.300 -0.074 0.000 1.148 8 P CA 1.621 64.664 63.100 -0.095 0.000 0.828 8 P CB -0.008 31.703 31.700 0.018 0.000 0.783 9 Y N -2.382 117.899 120.300 -0.031 0.000 2.529 9 Y HA 0.461 5.012 4.550 0.002 0.000 0.290 9 Y C 0.991 176.850 175.900 -0.068 0.000 1.177 9 Y CA -0.731 57.344 58.100 -0.042 0.000 1.305 9 Y CB -0.889 37.554 38.460 -0.028 0.000 1.047 9 Y HN -0.258 nan 8.280 nan 0.000 0.522 10 G N -0.280 108.318 108.800 -0.336 0.000 2.432 10 G HA2 0.563 4.524 3.960 0.002 0.000 0.331 10 G HA3 0.563 4.524 3.960 0.002 0.000 0.331 10 G C -0.122 174.409 174.900 -0.615 0.000 1.170 10 G CA -0.340 44.543 45.100 -0.362 0.000 0.943 10 G HN 0.821 nan 8.290 nan 0.000 0.483 11 G N -0.310 108.049 108.800 -0.735 0.000 2.746 11 G HA2 0.011 3.972 3.960 0.002 0.000 0.685 11 G HA3 0.011 3.972 3.960 0.002 0.000 0.685 11 G C -0.357 174.381 174.900 -0.271 0.000 1.350 11 G CA -0.664 44.043 45.100 -0.655 0.000 0.837 11 G HN 0.807 nan 8.290 nan 0.000 0.564 12 I N 2.191 122.659 120.570 -0.170 0.000 2.471 12 I HA 0.234 4.405 4.170 0.002 0.000 0.286 12 I C -1.259 174.814 176.117 -0.074 0.000 1.079 12 I CA -1.993 59.254 61.300 -0.088 0.000 1.398 12 I CB 0.587 38.556 38.000 -0.052 0.000 1.403 12 I HN 0.352 nan 8.210 nan 0.000 0.530 13 P HA 0.133 nan 4.420 nan 0.000 0.273 13 P C -0.418 176.887 177.300 0.009 0.000 1.319 13 P CA -0.078 63.007 63.100 -0.025 0.000 0.885 13 P CB -0.004 31.694 31.700 -0.004 0.000 1.015 14 T N 0.257 114.812 114.554 0.001 0.000 2.908 14 T HA 0.426 4.777 4.350 0.002 0.000 0.290 14 T C -0.241 174.499 174.700 0.067 0.000 1.034 14 T CA -0.935 61.192 62.100 0.044 0.000 1.010 14 T CB 0.979 69.856 68.868 0.015 0.000 1.068 14 T HN 0.056 nan 8.240 nan 0.000 0.481 15 F N 2.675 122.626 119.950 0.002 0.000 2.590 15 F HA 0.358 4.886 4.527 0.002 0.000 0.389 15 F C 1.406 177.193 175.800 -0.021 0.000 1.049 15 F CA 0.470 58.480 58.000 0.016 0.000 1.199 15 F CB -0.580 38.457 39.000 0.062 0.000 1.058 15 F HN 1.185 nan 8.300 nan 0.000 0.556 16 A N 4.522 126.934 122.820 -0.681 0.000 2.847 16 A HA -0.328 3.993 4.320 0.002 0.000 0.263 16 A C 1.543 178.917 177.584 -0.351 0.000 1.391 16 A CA 1.288 52.967 52.037 -0.596 0.000 0.866 16 A CB -2.243 16.292 19.000 -0.774 0.000 1.057 16 A HN 1.050 nan 8.150 nan 0.000 0.673 17 R N -3.834 116.536 120.500 -0.217 0.000 3.641 17 R HA -0.212 4.129 4.340 0.002 0.000 0.286 17 R C 0.432 176.672 176.300 -0.100 0.000 1.153 17 R CA 1.124 57.143 56.100 -0.136 0.000 0.775 17 R CB -2.140 28.074 30.300 -0.143 0.000 1.215 17 R HN 2.173 nan 8.270 nan 0.000 0.474 18 A N 1.171 123.953 122.820 -0.063 0.000 2.332 18 A HA 0.524 4.845 4.320 0.002 0.000 0.258 18 A C -1.890 175.684 177.584 -0.016 0.000 1.087 18 A CA -0.989 51.045 52.037 -0.005 0.000 0.802 18 A CB 0.184 19.247 19.000 0.107 0.000 1.042 18 A HN 0.202 nan 8.150 nan 0.000 0.489 19 P HA 0.161 nan 4.420 nan 0.000 0.269 19 P C -0.687 176.558 177.300 -0.091 0.000 1.209 19 P CA -0.193 62.878 63.100 -0.048 0.000 0.776 19 P CB 0.537 32.212 31.700 -0.041 0.000 0.876 20 L N 4.642 125.814 121.223 -0.084 0.000 2.349 20 L HA 0.370 4.711 4.340 0.002 0.000 0.275 20 L C -0.139 176.629 176.870 -0.170 0.000 1.115 20 L CA -0.202 54.572 54.840 -0.109 0.000 0.820 20 L CB 0.768 42.793 42.059 -0.058 0.000 1.135 20 L HN 0.332 nan 8.230 nan 0.000 0.445 21 V N 1.795 121.548 119.914 -0.268 0.000 3.160 21 V HA 0.653 4.774 4.120 0.002 0.000 0.310 21 V C -0.928 175.050 176.094 -0.194 0.000 1.181 21 V CA -0.987 61.104 62.300 -0.350 0.000 1.047 21 V CB 1.962 33.208 31.823 -0.963 0.000 1.068 21 V HN 0.701 nan 8.190 nan 0.000 0.441 22 Q N 1.097 120.880 119.800 -0.028 0.000 2.256 22 Q HA 0.448 4.789 4.340 0.002 0.000 0.257 22 Q C -2.090 174.102 176.000 0.319 0.000 0.936 22 Q CA -2.085 53.787 55.803 0.114 0.000 0.903 22 Q CB 1.868 30.682 28.738 0.127 0.000 1.263 22 Q HN 0.530 nan 8.270 nan 0.000 0.440 23 P HA -0.217 nan 4.420 nan 0.000 0.217 23 P C 0.489 177.985 177.300 0.327 0.000 1.158 23 P CA 1.737 65.043 63.100 0.342 0.000 0.887 23 P CB 0.283 32.097 31.700 0.192 0.000 0.792 24 D N -1.805 118.720 120.400 0.208 0.000 2.388 24 D HA 0.106 4.747 4.640 0.002 0.000 0.221 24 D C 0.895 177.261 176.300 0.110 0.000 1.133 24 D CA -0.190 53.873 54.000 0.104 0.000 0.831 24 D CB -0.505 40.329 40.800 0.057 0.000 0.962 24 D HN -0.004 nan 8.370 nan 0.000 0.502 25 G N 0.232 109.188 108.800 0.260 0.000 2.588 25 G HA2 0.130 4.091 3.960 0.002 0.000 0.278 25 G HA3 0.130 4.091 3.960 0.002 0.000 0.278 25 G C -0.512 174.479 174.900 0.153 0.000 1.307 25 G CA -0.527 44.733 45.100 0.267 0.000 1.016 25 G HN 0.136 nan 8.290 nan 0.000 0.503 26 D N 0.620 121.123 120.400 0.171 0.000 2.524 26 D HA 0.292 4.933 4.640 0.002 0.000 0.222 26 D C -0.023 176.375 176.300 0.163 0.000 1.142 26 D CA -0.622 53.417 54.000 0.066 0.000 0.973 26 D CB -0.078 40.756 40.800 0.057 0.000 1.025 26 D HN 0.414 nan 8.370 nan 0.000 0.519 27 W N 1.508 122.815 121.300 0.013 0.000 3.075 27 W HA 0.581 5.243 4.660 0.002 0.000 0.334 27 W C -1.604 174.922 176.519 0.012 0.000 1.243 27 W CA -0.953 56.400 57.345 0.015 0.000 1.170 27 W CB 0.717 30.190 29.460 0.020 0.000 1.452 27 W HN 0.022 nan 8.180 nan 0.000 0.572 28 Q N 1.039 120.997 119.800 0.264 0.000 2.309 28 Q HA 0.666 5.007 4.340 0.002 0.000 0.273 28 Q C -1.150 175.035 176.000 0.308 0.000 1.040 28 Q CA -0.494 55.374 55.803 0.108 0.000 0.834 28 Q CB 2.929 31.667 28.738 0.000 0.000 1.345 28 Q HN 0.671 nan 8.270 nan 0.000 0.414 29 A N 1.290 124.296 122.820 0.311 0.000 2.606 29 A HA 0.451 4.772 4.320 0.002 0.000 0.293 29 A C -0.541 177.119 177.584 0.128 0.000 1.082 29 A CA -0.588 51.586 52.037 0.228 0.000 0.685 29 A CB 1.256 20.420 19.000 0.273 0.000 1.284 29 A HN 0.728 nan 8.150 nan 0.000 0.408 30 D N -0.325 120.087 120.400 0.020 0.000 2.117 30 D HA 0.024 4.665 4.640 0.002 0.000 0.198 30 D C 0.446 176.751 176.300 0.008 0.000 0.982 30 D CA 1.906 55.920 54.000 0.023 0.000 0.828 30 D CB 0.129 40.856 40.800 -0.121 0.000 0.967 30 D HN 0.256 nan 8.370 nan 0.000 0.464 31 V N 0.154 119.926 119.914 -0.236 0.000 2.656 31 V HA 0.687 4.808 4.120 0.002 0.000 0.307 31 V C -0.503 175.525 176.094 -0.111 0.000 1.051 31 V CA -0.968 61.167 62.300 -0.276 0.000 0.893 31 V CB 1.962 33.262 31.823 -0.872 0.000 0.999 31 V HN 0.118 nan 8.190 nan 0.000 0.426 32 A N 3.308 126.137 122.820 0.015 0.000 2.381 32 A HA 0.942 5.263 4.320 0.002 0.000 0.299 32 A C -0.305 177.280 177.584 0.002 0.000 1.049 32 A CA -0.267 51.810 52.037 0.066 0.000 0.715 32 A CB 1.595 20.763 19.000 0.281 0.000 1.222 32 A HN 1.378 nan 8.150 nan 0.000 0.428 33 A N 1.491 124.317 122.820 0.008 0.000 2.306 33 A HA 0.785 5.106 4.320 0.002 0.000 0.314 33 A C -0.861 176.720 177.584 -0.005 0.000 1.164 33 A CA -0.398 51.594 52.037 -0.076 0.000 0.822 33 A CB 0.817 19.746 19.000 -0.119 0.000 1.130 33 A HN 1.769 nan 8.150 nan 0.000 0.496 34 L N 1.811 123.058 121.223 0.040 0.000 2.470 34 L HA 0.732 5.073 4.340 0.002 0.000 0.268 34 L C 0.139 177.111 176.870 0.170 0.000 0.964 34 L CA 0.112 55.049 54.840 0.162 0.000 0.839 34 L CB 1.936 44.197 42.059 0.337 0.000 1.276 34 L HN 0.826 nan 8.230 nan 0.000 0.403 35 G N 3.191 112.061 108.800 0.116 0.000 2.389 35 G HA2 0.592 4.553 3.960 0.002 0.000 0.317 35 G HA3 0.592 4.553 3.960 0.002 0.000 0.317 35 G C -1.337 173.626 174.900 0.105 0.000 1.137 35 G CA -0.495 44.667 45.100 0.103 0.000 0.870 35 G HN 0.524 nan 8.290 nan 0.000 0.496 36 V N 3.116 123.092 119.914 0.102 0.000 2.383 36 V HA 0.256 4.377 4.120 0.002 0.000 0.264 36 V C -2.070 174.096 176.094 0.121 0.000 1.001 36 V CA -1.187 61.168 62.300 0.092 0.000 0.828 36 V CB 1.782 33.640 31.823 0.059 0.000 1.069 36 V HN 0.715 nan 8.190 nan 0.000 0.451 37 P HA 0.123 nan 4.420 nan 0.000 0.231 37 P C -0.637 176.720 177.300 0.095 0.000 1.756 37 P CA 0.164 63.306 63.100 0.070 0.000 0.990 37 P CB -0.312 31.412 31.700 0.040 0.000 1.973 38 F N 3.177 123.106 119.950 -0.034 0.000 2.477 38 F HA 0.334 4.862 4.527 0.002 0.000 0.335 38 F C 0.017 175.801 175.800 -0.027 0.000 1.130 38 F CA -0.655 57.327 58.000 -0.031 0.000 0.948 38 F CB 1.698 40.699 39.000 0.001 0.000 1.154 38 F HN -0.082 nan 8.300 nan 0.000 0.439 39 D N 4.638 124.808 120.400 -0.383 0.000 2.594 39 D HA 0.017 4.658 4.640 0.002 0.000 0.256 39 D C 0.991 177.085 176.300 -0.343 0.000 1.393 39 D CA 0.115 53.971 54.000 -0.240 0.000 0.797 39 D CB -0.921 39.778 40.800 -0.167 0.000 1.110 39 D HN 0.554 nan 8.370 nan 0.000 0.495 40 I N -3.146 117.005 120.570 -0.699 0.000 3.444 40 I HA 0.379 4.550 4.170 0.002 0.000 0.287 40 I C 1.507 177.513 176.117 -0.184 0.000 1.302 40 I CA 0.293 61.333 61.300 -0.433 0.000 1.368 40 I CB 0.108 37.819 38.000 -0.481 0.000 1.048 40 I HN 0.032 nan 8.210 nan 0.000 0.487 41 A N 1.534 124.326 122.820 -0.046 0.000 2.267 41 A HA 0.397 4.718 4.320 0.002 0.000 0.213 41 A C 1.004 178.663 177.584 0.124 0.000 1.192 41 A CA -0.261 51.877 52.037 0.168 0.000 0.851 41 A CB -0.367 18.886 19.000 0.422 0.000 0.881 41 A HN 0.504 nan 8.150 nan 0.000 0.494 42 L N -3.573 117.697 121.223 0.078 0.000 2.453 42 L HA 0.724 5.065 4.340 0.002 0.000 0.261 42 L C 1.051 177.967 176.870 0.076 0.000 1.179 42 L CA 0.542 55.433 54.840 0.085 0.000 0.813 42 L CB 0.203 42.310 42.059 0.080 0.000 1.110 42 L HN -0.032 nan 8.230 nan 0.000 0.466 43 G N -0.442 108.411 108.800 0.089 0.000 3.088 43 G HA2 0.116 4.077 3.960 0.002 0.000 0.217 43 G HA3 0.116 4.077 3.960 0.002 0.000 0.217 43 G C 0.537 175.547 174.900 0.184 0.000 1.159 43 G CA 0.183 45.337 45.100 0.090 0.000 0.760 43 G HN 0.693 nan 8.290 nan 0.000 0.550 44 F N -0.082 119.866 119.950 -0.004 0.000 2.053 44 F HA 0.490 5.017 4.527 0.001 0.000 0.213 44 F C 0.120 175.925 175.800 0.009 0.000 1.216 44 F CA -0.961 57.040 58.000 0.001 0.000 1.287 44 F CB 0.706 39.708 39.000 0.003 0.000 1.781 44 F HN -0.259 nan 8.300 nan 0.000 0.297 45 R N 1.952 122.283 120.500 -0.281 0.000 2.229 45 R HA 0.335 4.676 4.340 0.002 0.000 0.332 45 R C -2.630 173.590 176.300 -0.133 0.000 0.989 45 R CA -1.822 54.062 56.100 -0.360 0.000 0.842 45 R CB 0.980 30.912 30.300 -0.613 0.000 1.119 45 R HN 0.084 nan 8.270 nan 0.000 0.456 46 P HA 0.193 nan 4.420 nan 0.000 0.273 46 P C 0.605 177.891 177.300 -0.024 0.000 1.250 46 P CA -0.054 63.010 63.100 -0.060 0.000 0.793 46 P CB 0.829 32.489 31.700 -0.066 0.000 1.011 47 G N -1.151 107.619 108.800 -0.050 0.000 3.033 47 G HA2 -0.076 3.885 3.960 0.002 0.000 0.208 47 G HA3 -0.076 3.885 3.960 0.002 0.000 0.208 47 G C 1.079 175.982 174.900 0.006 0.000 1.006 47 G CA 0.394 45.533 45.100 0.067 0.000 0.808 47 G HN 0.621 nan 8.290 nan 0.000 0.499 48 A N 1.509 124.308 122.820 -0.035 0.000 2.178 48 A HA 0.074 4.395 4.320 0.002 0.000 0.218 48 A C 2.209 179.751 177.584 -0.071 0.000 1.157 48 A CA 2.003 54.038 52.037 -0.004 0.000 0.689 48 A CB -0.555 18.461 19.000 0.027 0.000 0.787 48 A HN 0.715 nan 8.150 nan 0.000 0.465 49 R N -1.448 118.887 120.500 -0.275 0.000 2.237 49 R HA -0.049 4.292 4.340 0.002 0.000 0.219 49 R C 0.598 176.732 176.300 -0.278 0.000 1.080 49 R CA 1.348 57.247 56.100 -0.335 0.000 0.995 49 R CB -0.560 29.414 30.300 -0.543 0.000 0.875 49 R HN 0.445 nan 8.270 nan 0.000 0.462 50 F N 0.958 120.926 119.950 0.030 0.000 2.765 50 F HA 0.398 4.926 4.527 0.002 0.000 0.302 50 F C 2.378 178.203 175.800 0.043 0.000 1.111 50 F CA -0.160 57.859 58.000 0.031 0.000 1.359 50 F CB -0.001 39.011 39.000 0.020 0.000 1.097 50 F HN 0.073 nan 8.300 nan 0.000 0.577 51 A N 1.084 124.009 122.820 0.176 0.000 1.902 51 A HA -0.067 4.254 4.320 0.002 0.000 0.217 51 A C -0.126 177.536 177.584 0.129 0.000 1.181 51 A CA 1.393 53.514 52.037 0.140 0.000 0.623 51 A CB -1.789 17.274 19.000 0.106 0.000 0.818 51 A HN 0.187 nan 8.150 nan 0.000 0.443 52 P HA -0.183 nan 4.420 nan 0.000 0.215 52 P C 1.755 179.132 177.300 0.128 0.000 1.153 52 P CA 1.595 64.759 63.100 0.106 0.000 0.853 52 P CB -0.093 31.663 31.700 0.093 0.000 0.788 53 R N -0.266 120.316 120.500 0.136 0.000 2.066 53 R HA -0.075 4.266 4.340 0.002 0.000 0.232 53 R C 2.135 178.507 176.300 0.120 0.000 1.131 53 R CA 1.654 57.831 56.100 0.127 0.000 0.955 53 R CB -0.899 29.482 30.300 0.135 0.000 0.851 53 R HN 0.048 nan 8.270 nan 0.000 0.432 54 A N 0.838 123.733 122.820 0.126 0.000 1.933 54 A HA -0.119 4.202 4.320 0.002 0.000 0.218 54 A C 2.154 179.808 177.584 0.116 0.000 1.175 54 A CA 1.153 53.252 52.037 0.103 0.000 0.628 54 A CB -0.488 18.573 19.000 0.102 0.000 0.814 54 A HN 0.356 nan 8.150 nan 0.000 0.444 55 L N -1.158 120.155 121.223 0.151 0.000 2.093 55 L HA -0.168 4.173 4.340 0.002 0.000 0.208 55 L C 2.875 179.913 176.870 0.280 0.000 1.085 55 L CA 1.244 56.212 54.840 0.213 0.000 0.755 55 L CB -0.388 41.805 42.059 0.222 0.000 0.904 55 L HN 0.359 nan 8.230 nan 0.000 0.435 56 R N -0.028 120.629 120.500 0.261 0.000 2.066 56 R HA -0.156 4.185 4.340 0.002 0.000 0.232 56 R C 2.182 178.530 176.300 0.081 0.000 1.131 56 R CA 1.491 57.733 56.100 0.236 0.000 0.955 56 R CB -0.324 30.090 30.300 0.189 0.000 0.851 56 R HN 0.425 nan 8.270 nan 0.000 0.432 57 E N 0.653 120.895 120.200 0.069 0.000 2.058 57 E HA -0.207 4.144 4.350 0.002 0.000 0.194 57 E C 2.017 178.625 176.600 0.013 0.000 0.997 57 E CA 1.380 57.797 56.400 0.028 0.000 0.801 57 E CB -0.169 29.551 29.700 0.033 0.000 0.746 57 E HN 0.369 nan 8.360 nan 0.000 0.450 58 A N 1.369 124.210 122.820 0.035 0.000 2.015 58 A HA -0.158 4.163 4.320 0.002 0.000 0.219 58 A C 2.262 179.834 177.584 -0.020 0.000 1.163 58 A CA 1.564 53.613 52.037 0.020 0.000 0.646 58 A CB -0.526 18.502 19.000 0.046 0.000 0.806 58 A HN 0.314 nan 8.150 nan 0.000 0.448 59 S N -0.052 115.610 115.700 -0.062 0.000 2.474 59 S HA 0.009 4.480 4.470 0.002 0.000 0.235 59 S C 1.584 176.058 174.600 -0.210 0.000 0.997 59 S CA 0.963 59.028 58.200 -0.226 0.000 0.949 59 S CB -0.646 62.173 63.200 -0.635 0.000 0.766 59 S HN 0.485 nan 8.310 nan 0.000 0.517 60 L N 0.256 121.397 121.223 -0.136 0.000 2.456 60 L HA 0.133 4.474 4.340 0.002 0.000 0.224 60 L C 2.634 179.453 176.870 -0.086 0.000 1.148 60 L CA 0.543 55.310 54.840 -0.122 0.000 0.825 60 L CB -0.383 41.618 42.059 -0.096 0.000 0.937 60 L HN 0.257 nan 8.230 nan 0.000 0.450 61 R N -0.576 119.889 120.500 -0.058 0.000 2.317 61 R HA 0.141 4.482 4.340 0.002 0.000 0.208 61 R C 0.339 176.641 176.300 0.003 0.000 0.914 61 R CA 0.204 56.288 56.100 -0.025 0.000 1.060 61 R CB 0.444 30.735 30.300 -0.016 0.000 1.015 61 R HN 0.113 nan 8.270 nan 0.000 0.498 62 S N 0.504 116.202 115.700 -0.003 0.000 2.569 62 S HA 0.193 4.664 4.470 0.002 0.000 0.215 62 S C -0.365 174.288 174.600 0.088 0.000 1.096 62 S CA -0.444 57.844 58.200 0.147 0.000 1.183 62 S CB 1.338 64.591 63.200 0.089 0.000 1.324 62 S HN -0.163 nan 8.310 nan 0.000 0.421 63 V N 4.933 124.774 119.914 -0.121 0.000 2.488 63 V HA 0.297 4.419 4.120 0.002 0.000 0.277 63 V C -1.617 174.068 176.094 -0.682 0.000 1.046 63 V CA -1.589 60.500 62.300 -0.351 0.000 0.986 63 V CB 0.442 32.095 31.823 -0.284 0.000 0.989 63 V HN 0.377 nan 8.190 nan 0.000 0.475 64 P HA 0.354 nan 4.420 nan 0.000 0.274 64 P C -2.519 174.391 177.300 -0.649 0.000 1.246 64 P CA -1.222 61.210 63.100 -1.113 0.000 0.795 64 P CB 0.330 31.577 31.700 -0.755 0.000 1.006 65 P HA 0.371 nan 4.420 nan 0.000 0.282 65 P C -1.130 175.762 177.300 -0.680 0.000 1.287 65 P CA -0.250 62.548 63.100 -0.503 0.000 0.792 65 P CB 0.575 32.160 31.700 -0.193 0.000 1.163 66 F N -1.275 118.661 119.950 -0.024 0.000 2.493 66 F HA 0.315 4.843 4.527 0.002 0.000 0.329 66 F C 0.419 176.216 175.800 -0.004 0.000 1.126 66 F CA -0.483 57.506 58.000 -0.018 0.000 0.937 66 F CB 1.878 40.874 39.000 -0.007 0.000 1.146 66 F HN -0.018 nan 8.300 nan 0.000 0.442 67 T N 2.440 117.087 114.554 0.156 0.000 2.756 67 T HA 0.508 4.859 4.350 0.002 0.000 0.290 67 T C 0.521 175.275 174.700 0.090 0.000 0.985 67 T CA -0.732 61.423 62.100 0.093 0.000 0.955 67 T CB 1.163 70.057 68.868 0.044 0.000 0.930 67 T HN 0.812 nan 8.240 nan 0.000 0.451 68 G N 1.270 110.116 108.800 0.077 0.000 2.563 68 G HA2 0.390 4.351 3.960 0.002 0.000 0.283 68 G HA3 0.390 4.351 3.960 0.002 0.000 0.283 68 G C 1.056 175.978 174.900 0.036 0.000 1.309 68 G CA -0.648 44.484 45.100 0.054 0.000 1.022 68 G HN 0.647 nan 8.290 nan 0.000 0.501 69 L N -0.097 121.142 121.223 0.026 0.000 2.127 69 L HA -0.073 4.268 4.340 0.002 0.000 0.211 69 L C 2.224 179.105 176.870 0.019 0.000 1.089 69 L CA 2.598 57.449 54.840 0.019 0.000 0.757 69 L CB -0.592 41.475 42.059 0.013 0.000 0.899 69 L HN 0.666 nan 8.230 nan 0.000 0.434 70 D N -1.514 118.899 120.400 0.023 0.000 2.363 70 D HA 0.104 4.745 4.640 0.002 0.000 0.226 70 D C 1.698 178.011 176.300 0.022 0.000 1.020 70 D CA 0.761 54.774 54.000 0.022 0.000 0.892 70 D CB -0.422 40.392 40.800 0.024 0.000 0.900 70 D HN 0.400 nan 8.370 nan 0.000 0.531 71 G N -0.204 108.611 108.800 0.024 0.000 2.179 71 G HA2 -0.334 3.627 3.960 0.002 0.000 0.260 71 G HA3 -0.334 3.627 3.960 0.002 0.000 0.260 71 G C 0.186 175.102 174.900 0.026 0.000 0.977 71 G CA 0.242 45.355 45.100 0.022 0.000 0.641 71 G HN 0.484 nan 8.290 nan 0.000 0.533 72 K N 0.850 121.270 120.400 0.033 0.000 2.185 72 K HA 0.543 4.864 4.320 0.002 0.000 0.271 72 K C -0.090 176.541 176.600 0.051 0.000 1.013 72 K CA 0.130 56.440 56.287 0.037 0.000 0.943 72 K CB 0.919 33.441 32.500 0.038 0.000 0.998 72 K HN 0.101 nan 8.250 nan 0.000 0.468 73 T N 2.471 117.055 114.554 0.050 0.000 2.823 73 T HA 0.380 4.731 4.350 0.002 0.000 0.279 73 T C -0.310 174.440 174.700 0.083 0.000 0.998 73 T CA -0.802 61.337 62.100 0.064 0.000 0.994 73 T CB 1.063 69.953 68.868 0.036 0.000 0.960 73 T HN 0.383 nan 8.240 nan 0.000 0.448 74 R N 1.592 122.170 120.500 0.129 0.000 2.711 74 R HA 0.607 4.948 4.340 0.002 0.000 0.284 74 R C 0.036 176.433 176.300 0.163 0.000 0.968 74 R CA -0.914 55.281 56.100 0.158 0.000 0.924 74 R CB 1.281 31.701 30.300 0.200 0.000 1.162 74 R HN 0.643 nan 8.270 nan 0.000 0.465 75 L N 0.347 121.657 121.223 0.144 0.000 4.291 75 L HA -0.250 4.091 4.340 0.002 0.000 0.413 75 L C -0.140 176.743 176.870 0.022 0.000 1.162 75 L CA 0.255 55.148 54.840 0.087 0.000 0.961 75 L CB -1.244 40.912 42.059 0.162 0.000 2.095 75 L HN 0.625 nan 8.230 nan 0.000 0.838 76 Q N 1.131 120.945 119.800 0.024 0.000 2.271 76 Q HA 0.418 4.759 4.340 0.002 0.000 0.273 76 Q C 1.324 177.324 176.000 -0.000 0.000 1.051 76 Q CA 1.439 57.242 55.803 -0.000 0.000 0.901 76 Q CB 0.983 29.727 28.738 0.009 0.000 1.174 76 Q HN 0.376 nan 8.270 nan 0.000 0.385 77 G N 2.575 111.369 108.800 -0.010 0.000 2.184 77 G HA2 -0.238 3.723 3.960 0.002 0.000 0.264 77 G HA3 -0.238 3.723 3.960 0.002 0.000 0.264 77 G C -0.189 174.703 174.900 -0.014 0.000 0.975 77 G CA 0.129 45.227 45.100 -0.004 0.000 0.642 77 G HN 0.650 nan 8.290 nan 0.000 0.536 78 V N 2.725 122.615 119.914 -0.040 0.000 2.455 78 V HA 0.501 4.622 4.120 0.002 0.000 0.273 78 V C 1.193 177.279 176.094 -0.014 0.000 1.045 78 V CA 0.338 62.549 62.300 -0.148 0.000 0.976 78 V CB 0.869 32.463 31.823 -0.382 0.000 0.993 78 V HN 0.681 nan 8.190 nan 0.000 0.475 79 T N 2.881 117.401 114.554 -0.056 0.000 2.889 79 T HA 0.662 5.013 4.350 0.002 0.000 0.291 79 T C -0.729 173.957 174.700 -0.023 0.000 0.995 79 T CA -0.312 61.819 62.100 0.052 0.000 1.092 79 T CB 0.702 69.598 68.868 0.046 0.000 0.954 79 T HN 0.192 nan 8.240 nan 0.000 0.506 80 F N 0.650 120.583 119.950 -0.027 0.000 2.579 80 F HA 0.788 5.316 4.527 0.002 0.000 0.324 80 F C 0.340 176.126 175.800 -0.022 0.000 1.058 80 F CA -0.885 57.113 58.000 -0.003 0.000 0.944 80 F CB 2.240 41.235 39.000 -0.007 0.000 1.245 80 F HN 1.035 nan 8.300 nan 0.000 0.477 81 A N 1.048 123.941 122.820 0.122 0.000 2.594 81 A HA 0.574 4.895 4.320 0.002 0.000 0.295 81 A C -2.096 175.437 177.584 -0.085 0.000 1.071 81 A CA -0.595 51.382 52.037 -0.099 0.000 0.685 81 A CB 1.715 20.468 19.000 -0.411 0.000 1.285 81 A HN 0.584 nan 8.150 nan 0.000 0.405 82 D N 1.711 122.028 120.400 -0.138 0.000 2.453 82 D HA 0.534 5.176 4.640 0.002 0.000 0.238 82 D C 0.599 176.800 176.300 -0.165 0.000 1.088 82 D CA 0.251 54.215 54.000 -0.060 0.000 0.854 82 D CB 1.703 42.521 40.800 0.031 0.000 1.076 82 D HN 0.594 nan 8.370 nan 0.000 0.533 83 A N 2.858 125.590 122.820 -0.147 0.000 2.276 83 A HA 0.513 4.834 4.320 0.002 0.000 0.212 83 A C 1.293 178.870 177.584 -0.011 0.000 1.230 83 A CA 0.726 52.695 52.037 -0.114 0.000 0.844 83 A CB -0.710 18.305 19.000 0.026 0.000 0.860 83 A HN 0.914 nan 8.150 nan 0.000 0.486 84 G N -0.412 108.388 108.800 -0.000 0.000 2.553 84 G HA2 -0.153 3.808 3.960 0.002 0.000 0.242 84 G HA3 -0.153 3.808 3.960 0.002 0.000 0.242 84 G C -0.908 174.026 174.900 0.056 0.000 1.277 84 G CA 0.037 45.154 45.100 0.029 0.000 0.910 84 G HN 0.398 nan 8.290 nan 0.000 0.576 85 D N -0.555 119.880 120.400 0.058 0.000 2.269 85 D HA 0.556 5.197 4.640 0.002 0.000 0.244 85 D C 0.529 176.866 176.300 0.062 0.000 0.992 85 D CA -0.382 53.659 54.000 0.067 0.000 0.894 85 D CB 1.768 42.606 40.800 0.065 0.000 1.248 85 D HN 0.456 nan 8.370 nan 0.000 0.468 86 V N 1.661 121.612 119.914 0.062 0.000 2.655 86 V HA 0.052 4.173 4.120 0.002 0.000 0.300 86 V C 0.788 176.906 176.094 0.040 0.000 1.044 86 V CA -0.154 62.172 62.300 0.043 0.000 1.095 86 V CB 0.339 32.174 31.823 0.021 0.000 0.952 86 V HN 0.369 nan 8.190 nan 0.000 0.485 87 I N 6.187 126.776 120.570 0.031 0.000 2.347 87 I HA 0.202 4.373 4.170 0.002 0.000 0.294 87 I C -0.034 176.098 176.117 0.025 0.000 1.090 87 I CA 0.219 61.536 61.300 0.029 0.000 1.314 87 I CB 0.095 38.109 38.000 0.023 0.000 1.423 87 I HN 0.402 nan 8.210 nan 0.000 0.503 88 L N 8.661 129.908 121.223 0.040 0.000 2.343 88 L HA 0.544 4.885 4.340 0.002 0.000 0.275 88 L C -1.729 175.166 176.870 0.041 0.000 1.056 88 L CA -1.609 53.264 54.840 0.053 0.000 0.804 88 L CB 0.726 42.852 42.059 0.113 0.000 1.203 88 L HN 0.431 nan 8.230 nan 0.000 0.440 89 P HA 0.293 nan 4.420 nan 0.000 0.284 89 P C -0.918 176.397 177.300 0.025 0.000 1.292 89 P CA -0.572 62.539 63.100 0.019 0.000 0.800 89 P CB 1.135 32.837 31.700 0.003 0.000 1.188 90 S N -0.707 114.997 115.700 0.008 0.000 2.554 90 S HA 0.395 4.866 4.470 0.002 0.000 0.278 90 S C 0.722 175.320 174.600 -0.003 0.000 1.242 90 S CA -0.494 57.703 58.200 -0.006 0.000 1.051 90 S CB -0.226 62.968 63.200 -0.011 0.000 0.986 90 S HN 0.510 nan 8.310 nan 0.000 0.502 91 L N 0.929 122.143 121.223 -0.014 0.000 6.780 91 L HA -0.293 4.048 4.340 0.002 0.000 0.053 91 L C 0.134 177.015 176.870 0.020 0.000 1.778 91 L CA 0.692 55.532 54.840 -0.001 0.000 1.657 91 L CB -0.869 41.187 42.059 -0.004 0.000 2.738 91 L HN 0.654 nan 8.230 nan 0.000 1.065 92 E N -0.709 119.489 120.200 -0.003 0.000 2.183 92 E HA -0.215 4.136 4.350 0.002 0.000 0.196 92 E C -1.624 174.914 176.600 -0.104 0.000 1.364 92 E CA 0.883 57.258 56.400 -0.042 0.000 0.700 92 E CB -1.251 28.425 29.700 -0.039 0.000 1.106 92 E HN 0.536 nan 8.360 nan 0.000 0.347 93 P HA -0.254 nan 4.420 nan 0.000 0.216 93 P C 1.578 178.323 177.300 -0.926 0.000 1.153 93 P CA 1.436 64.304 63.100 -0.387 0.000 0.858 93 P CB 0.205 31.756 31.700 -0.248 0.000 0.789 94 Q N -0.684 118.710 119.800 -0.675 0.000 2.084 94 Q HA -0.155 4.186 4.340 0.002 0.000 0.202 94 Q C 2.249 178.022 176.000 -0.378 0.000 0.978 94 Q CA 1.009 56.448 55.803 -0.607 0.000 0.844 94 Q CB -0.531 28.021 28.738 -0.311 0.000 0.898 94 Q HN 0.074 nan 8.270 nan 0.000 0.426 95 L N 0.394 121.463 121.223 -0.258 0.000 2.056 95 L HA -0.049 4.292 4.340 0.002 0.000 0.207 95 L C 2.145 178.911 176.870 -0.173 0.000 1.078 95 L CA 2.159 56.901 54.840 -0.162 0.000 0.749 95 L CB -0.910 41.088 42.059 -0.101 0.000 0.901 95 L HN 0.222 nan 8.230 nan 0.000 0.433 96 A N -1.065 121.623 122.820 -0.220 0.000 1.883 96 A HA -0.275 4.046 4.320 0.002 0.000 0.217 96 A C 2.153 179.605 177.584 -0.220 0.000 1.186 96 A CA 1.987 53.907 52.037 -0.194 0.000 0.624 96 A CB -1.200 17.690 19.000 -0.184 0.000 0.822 96 A HN 0.736 nan 8.150 nan 0.000 0.444 97 H N -0.532 118.315 119.070 -0.373 0.000 2.319 97 H HA -0.141 4.416 4.556 0.002 0.000 0.299 97 H C 1.628 176.753 175.328 -0.338 0.000 1.092 97 H CA 0.938 56.728 56.048 -0.430 0.000 1.302 97 H CB -0.020 29.433 29.762 -0.515 0.000 1.373 97 H HN 0.439 nan 8.280 nan 0.000 0.497 98 D N 0.397 120.715 120.400 -0.136 0.000 2.144 98 D HA -0.101 4.540 4.640 0.002 0.000 0.199 98 D C 2.180 178.412 176.300 -0.114 0.000 0.984 98 D CA 0.847 54.770 54.000 -0.129 0.000 0.834 98 D CB -0.167 40.570 40.800 -0.105 0.000 0.955 98 D HN 0.345 nan 8.370 nan 0.000 0.465 99 R N 0.099 120.537 120.500 -0.104 0.000 2.092 99 R HA 0.021 4.362 4.340 0.002 0.000 0.231 99 R C 2.518 178.767 176.300 -0.085 0.000 1.119 99 R CA 0.513 56.568 56.100 -0.077 0.000 0.970 99 R CB -0.180 30.086 30.300 -0.057 0.000 0.864 99 R HN 0.251 nan 8.270 nan 0.000 0.440 100 I N 0.113 120.608 120.570 -0.126 0.000 2.202 100 I HA -0.244 3.927 4.170 0.002 0.000 0.242 100 I C 2.077 178.092 176.117 -0.170 0.000 1.091 100 I CA 1.372 62.582 61.300 -0.151 0.000 1.368 100 I CB -0.399 37.472 38.000 -0.215 0.000 1.058 100 I HN 0.137 nan 8.210 nan 0.000 0.410 101 T N -0.205 114.233 114.554 -0.194 0.000 2.746 101 T HA -0.214 4.137 4.350 0.002 0.000 0.267 101 T C 1.790 176.419 174.700 -0.118 0.000 1.039 101 T CA 1.644 63.634 62.100 -0.184 0.000 1.142 101 T CB -0.206 68.539 68.868 -0.205 0.000 0.866 101 T HN 0.282 nan 8.240 nan 0.000 0.444 102 E N 1.679 121.824 120.200 -0.092 0.000 2.051 102 E HA -0.020 4.331 4.350 0.002 0.000 0.192 102 E C 2.230 178.814 176.600 -0.027 0.000 0.991 102 E CA 1.467 57.833 56.400 -0.057 0.000 0.799 102 E CB -0.637 29.035 29.700 -0.046 0.000 0.748 102 E HN 0.410 nan 8.360 nan 0.000 0.449 103 A N 0.786 123.597 122.820 -0.015 0.000 1.902 103 A HA -0.015 4.306 4.320 0.002 0.000 0.217 103 A C 2.448 180.077 177.584 0.074 0.000 1.181 103 A CA 2.109 54.169 52.037 0.038 0.000 0.623 103 A CB -1.026 18.001 19.000 0.045 0.000 0.818 103 A HN 0.393 nan 8.150 nan 0.000 0.443 104 A N -0.327 122.507 122.820 0.023 0.000 1.902 104 A HA -0.154 4.167 4.320 0.002 0.000 0.217 104 A C 2.261 179.881 177.584 0.059 0.000 1.181 104 A CA 1.433 53.517 52.037 0.078 0.000 0.623 104 A CB -0.476 18.426 19.000 -0.163 0.000 0.818 104 A HN 0.514 nan 8.150 nan 0.000 0.443 105 R N -0.537 119.942 120.500 -0.035 0.000 2.081 105 R HA -0.169 4.172 4.340 0.002 0.000 0.235 105 R C 2.457 178.729 176.300 -0.047 0.000 1.131 105 R CA 1.800 57.852 56.100 -0.079 0.000 0.960 105 R CB -0.392 29.858 30.300 -0.083 0.000 0.856 105 R HN 0.719 nan 8.270 nan 0.000 0.436 106 Q N -0.087 119.710 119.800 -0.005 0.000 2.084 106 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 106 Q C 2.213 178.226 176.000 0.022 0.000 0.978 106 Q CA 1.359 57.162 55.803 -0.000 0.000 0.844 106 Q CB -0.022 28.740 28.738 0.040 0.000 0.898 106 Q HN 0.154 nan 8.270 nan 0.000 0.426 107 V N 0.815 120.809 119.914 0.135 0.000 2.358 107 V HA -0.207 3.914 4.120 0.002 0.000 0.246 107 V C 2.308 178.472 176.094 0.115 0.000 1.047 107 V CA 1.433 63.878 62.300 0.242 0.000 1.035 107 V CB -0.492 31.544 31.823 0.355 0.000 0.658 107 V HN 0.293 nan 8.190 nan 0.000 0.452 108 R N 0.314 120.855 120.500 0.068 0.000 2.091 108 R HA -0.140 4.201 4.340 0.002 0.000 0.238 108 R C 2.232 178.481 176.300 -0.084 0.000 1.136 108 R CA 1.625 57.711 56.100 -0.024 0.000 0.959 108 R CB -0.854 29.341 30.300 -0.176 0.000 0.856 108 R HN 0.576 nan 8.270 nan 0.000 0.437 109 G N -0.197 108.532 108.800 -0.118 0.000 2.776 109 G HA2 -0.164 3.797 3.960 0.002 0.000 0.209 109 G HA3 -0.164 3.797 3.960 0.002 0.000 0.209 109 G C 1.149 175.914 174.900 -0.225 0.000 1.145 109 G CA -0.008 45.002 45.100 -0.150 0.000 0.791 109 G HN 0.297 nan 8.290 nan 0.000 0.530 110 R N -0.967 119.344 120.500 -0.315 0.000 2.535 110 R HA 0.295 4.636 4.340 0.002 0.000 0.323 110 R C 0.085 176.185 176.300 -0.334 0.000 0.979 110 R CA 0.038 55.802 56.100 -0.560 0.000 1.120 110 R CB 0.326 29.805 30.300 -1.369 0.000 1.306 110 R HN 0.433 nan 8.270 nan 0.000 0.540 111 C N -2.896 116.347 119.300 -0.094 0.000 3.323 111 C HA 0.518 4.979 4.460 0.002 0.000 0.324 111 C C 1.090 176.106 174.990 0.043 0.000 1.428 111 C CA -1.067 57.983 59.018 0.054 0.000 1.368 111 C CB 2.182 30.032 27.740 0.183 0.000 1.731 111 C HN 0.327 nan 8.230 nan 0.000 0.455 112 R N 0.350 120.901 120.500 0.085 0.000 2.064 112 R HA 0.396 4.737 4.340 0.002 0.000 0.221 112 R C -0.187 176.154 176.300 0.069 0.000 1.136 112 R CA 1.251 57.396 56.100 0.076 0.000 0.980 112 R CB -0.007 30.368 30.300 0.125 0.000 0.876 112 R HN 0.715 nan 8.270 nan 0.000 0.437 113 V N 3.905 123.883 119.914 0.106 0.000 2.376 113 V HA 0.413 4.534 4.120 0.002 0.000 0.287 113 V C -2.473 173.631 176.094 0.016 0.000 1.015 113 V CA -1.955 60.388 62.300 0.071 0.000 0.834 113 V CB 1.567 33.452 31.823 0.103 0.000 1.001 113 V HN 0.273 nan 8.190 nan 0.000 0.428 114 P HA 0.403 nan 4.420 nan 0.000 0.288 114 P C -0.973 176.012 177.300 -0.525 0.000 1.267 114 P CA -0.381 62.558 63.100 -0.268 0.000 0.815 114 P CB 2.292 33.828 31.700 -0.274 0.000 0.989 115 V N 4.526 124.125 119.914 -0.525 0.000 2.378 115 V HA 0.352 4.473 4.120 0.002 0.000 0.288 115 V C -0.182 175.612 176.094 -0.500 0.000 1.016 115 V CA -0.387 61.642 62.300 -0.452 0.000 0.840 115 V CB 0.548 32.218 31.823 -0.256 0.000 0.994 115 V HN 0.379 nan 8.190 nan 0.000 0.431 116 F N 5.275 125.222 119.950 -0.005 0.000 2.404 116 F HA 0.578 5.106 4.527 0.002 0.000 0.354 116 F C 0.101 175.888 175.800 -0.023 0.000 1.122 116 F CA -0.747 57.263 58.000 0.016 0.000 1.080 116 F CB 1.302 40.365 39.000 0.105 0.000 1.131 116 F HN 0.209 nan 8.300 nan 0.000 0.471 117 L N 4.134 125.435 121.223 0.130 0.000 2.262 117 L HA 0.532 4.873 4.340 0.002 0.000 0.288 117 L C 0.659 177.590 176.870 0.103 0.000 1.035 117 L CA -0.560 54.316 54.840 0.059 0.000 0.820 117 L CB 0.826 42.873 42.059 -0.021 0.000 1.204 117 L HN 0.755 nan 8.230 nan 0.000 0.424 118 G N 1.451 110.312 108.800 0.103 0.000 2.588 118 G HA2 0.632 4.593 3.960 0.002 0.000 0.281 118 G HA3 0.632 4.593 3.960 0.002 0.000 0.281 118 G C 0.075 175.030 174.900 0.092 0.000 1.236 118 G CA 0.007 45.170 45.100 0.104 0.000 0.969 118 G HN 0.921 nan 8.290 nan 0.000 0.504 119 G N -0.573 108.282 108.800 0.091 0.000 2.719 119 G HA2 0.286 4.247 3.960 0.002 0.000 0.686 119 G HA3 0.286 4.247 3.960 0.002 0.000 0.686 119 G C -0.358 174.624 174.900 0.137 0.000 1.201 119 G CA 0.172 45.351 45.100 0.133 0.000 0.768 119 G HN 1.265 nan 8.290 nan 0.000 0.629 120 D N -0.564 119.948 120.400 0.188 0.000 2.371 120 D HA 0.287 4.928 4.640 0.002 0.000 0.242 120 D C 1.237 177.672 176.300 0.225 0.000 1.218 120 D CA 0.015 54.127 54.000 0.186 0.000 0.945 120 D CB 0.404 41.319 40.800 0.191 0.000 1.137 120 D HN 0.635 nan 8.370 nan 0.000 0.464 121 H N -1.205 117.944 119.070 0.133 0.000 2.518 121 H HA -0.132 4.425 4.556 0.002 0.000 0.289 121 H C 1.849 177.197 175.328 0.034 0.000 1.051 121 H CA 0.971 57.076 56.048 0.095 0.000 1.280 121 H CB 0.313 30.141 29.762 0.110 0.000 1.380 121 H HN 0.478 nan 8.280 nan 0.000 0.566 122 S N 0.169 116.005 115.700 0.228 0.000 2.440 122 S HA -0.147 4.325 4.470 0.002 0.000 0.238 122 S C 2.240 176.857 174.600 0.028 0.000 1.010 122 S CA 1.068 59.348 58.200 0.134 0.000 0.972 122 S CB -0.856 62.498 63.200 0.258 0.000 0.774 122 S HN 0.397 nan 8.310 nan 0.000 0.501 123 V N -0.318 119.622 119.914 0.045 0.000 2.759 123 V HA -0.021 4.100 4.120 0.002 0.000 0.256 123 V C 2.162 178.201 176.094 -0.092 0.000 1.080 123 V CA 1.757 64.009 62.300 -0.080 0.000 1.101 123 V CB -1.458 30.355 31.823 -0.017 0.000 0.698 123 V HN 0.473 nan 8.190 nan 0.000 0.477 124 S N -0.078 115.620 115.700 -0.005 0.000 2.419 124 S HA -0.146 4.325 4.470 0.002 0.000 0.233 124 S C 1.656 176.158 174.600 -0.163 0.000 1.016 124 S CA 1.860 60.034 58.200 -0.045 0.000 0.974 124 S CB -0.592 62.567 63.200 -0.069 0.000 0.786 124 S HN 0.871 nan 8.310 nan 0.000 0.492 125 Y N 4.023 124.135 120.300 -0.312 0.000 2.070 125 Y HA -0.041 4.510 4.550 0.002 0.000 0.279 125 Y C -0.988 174.740 175.900 -0.287 0.000 1.134 125 Y CA 0.925 58.842 58.100 -0.305 0.000 1.113 125 Y CB -1.617 36.660 38.460 -0.306 0.000 0.981 125 Y HN 0.166 nan 8.280 nan 0.000 0.487 126 P HA -0.154 nan 4.420 nan 0.000 0.220 126 P C 1.853 178.892 177.300 -0.435 0.000 1.148 126 P CA 1.213 63.862 63.100 -0.753 0.000 0.803 126 P CB -0.004 31.316 31.700 -0.633 0.000 0.782 127 L N -0.411 120.598 121.223 -0.357 0.000 2.017 127 L HA -0.090 4.251 4.340 0.002 0.000 0.208 127 L C 2.763 179.562 176.870 -0.119 0.000 1.073 127 L CA 1.581 56.219 54.840 -0.337 0.000 0.745 127 L CB -1.828 40.011 42.059 -0.367 0.000 0.894 127 L HN -0.100 nan 8.230 nan 0.000 0.432 128 L N -1.124 119.976 121.223 -0.204 0.000 2.131 128 L HA -0.209 4.132 4.340 0.002 0.000 0.210 128 L C 2.584 179.478 176.870 0.040 0.000 1.092 128 L CA 0.848 55.580 54.840 -0.180 0.000 0.759 128 L CB -0.399 41.493 42.059 -0.278 0.000 0.903 128 L HN 0.255 nan 8.230 nan 0.000 0.435 129 R N -0.094 120.357 120.500 -0.081 0.000 2.200 129 R HA -0.124 4.218 4.340 0.002 0.000 0.234 129 R C 2.062 178.359 176.300 -0.005 0.000 1.127 129 R CA 1.068 57.127 56.100 -0.067 0.000 0.989 129 R CB -0.356 29.812 30.300 -0.219 0.000 0.869 129 R HN 0.327 nan 8.270 nan 0.000 0.459 130 A N -0.054 122.789 122.820 0.038 0.000 2.235 130 A HA -0.002 4.319 4.320 0.002 0.000 0.208 130 A C 0.622 178.103 177.584 -0.172 0.000 1.172 130 A CA 0.514 52.510 52.037 -0.069 0.000 0.786 130 A CB -0.027 18.892 19.000 -0.135 0.000 0.804 130 A HN 0.170 nan 8.150 nan 0.000 0.479 131 F N -1.119 118.822 119.950 -0.014 0.000 2.850 131 F HA 0.417 4.946 4.527 0.002 0.000 0.306 131 F C 1.823 177.627 175.800 0.008 0.000 1.162 131 F CA -0.233 57.779 58.000 0.020 0.000 1.327 131 F CB -0.153 38.869 39.000 0.037 0.000 0.953 131 F HN 0.195 nan 8.300 nan 0.000 0.507 132 A N 0.264 123.150 122.820 0.110 0.000 2.019 132 A HA -0.211 4.110 4.320 0.002 0.000 0.219 132 A C 1.862 179.484 177.584 0.064 0.000 1.164 132 A CA 2.050 54.132 52.037 0.075 0.000 0.644 132 A CB -0.547 18.475 19.000 0.036 0.000 0.805 132 A HN 0.425 nan 8.150 nan 0.000 0.449 133 D N -0.826 119.602 120.400 0.047 0.000 2.328 133 D HA 0.115 4.756 4.640 0.002 0.000 0.226 133 D C -0.023 176.312 176.300 0.059 0.000 1.066 133 D CA -0.027 53.995 54.000 0.036 0.000 0.861 133 D CB -0.516 40.287 40.800 0.005 0.000 0.912 133 D HN 0.106 nan 8.370 nan 0.000 0.521 134 V N 3.130 123.107 119.914 0.105 0.000 2.368 134 V HA 0.252 4.373 4.120 0.002 0.000 0.266 134 V C -1.967 174.187 176.094 0.100 0.000 1.045 134 V CA -1.561 60.813 62.300 0.123 0.000 0.899 134 V CB 0.966 32.915 31.823 0.211 0.000 1.006 134 V HN 0.118 nan 8.190 nan 0.000 0.470 135 P HA 0.062 nan 4.420 nan 0.000 0.267 135 P C -0.142 177.212 177.300 0.090 0.000 1.205 135 P CA 0.194 63.335 63.100 0.069 0.000 0.765 135 P CB 0.479 32.208 31.700 0.049 0.000 0.828 136 D N -0.216 120.240 120.400 0.094 0.000 2.697 136 D HA -0.192 4.449 4.640 0.002 0.000 0.235 136 D C 0.336 176.766 176.300 0.216 0.000 1.167 136 D CA 0.650 54.730 54.000 0.134 0.000 0.656 136 D CB -0.831 40.061 40.800 0.154 0.000 1.025 136 D HN 0.333 nan 8.370 nan 0.000 0.419 137 L N 1.591 122.900 121.223 0.142 0.000 2.499 137 L HA 0.040 4.381 4.340 0.002 0.000 0.273 137 L C 0.303 177.249 176.870 0.128 0.000 1.195 137 L CA 0.683 55.608 54.840 0.143 0.000 0.882 137 L CB 0.417 42.530 42.059 0.089 0.000 1.133 137 L HN 0.116 nan 8.230 nan 0.000 0.483 138 H N 3.944 123.014 119.070 -0.000 0.000 2.524 138 H HA 0.549 5.106 4.556 0.002 0.000 0.353 138 H C -1.052 174.260 175.328 -0.026 0.000 1.136 138 H CA -1.015 55.032 56.048 -0.002 0.000 1.193 138 H CB 2.047 31.815 29.762 0.010 0.000 1.558 138 H HN 0.412 nan 8.280 nan 0.000 0.515 139 V N 3.609 123.538 119.914 0.024 0.000 2.495 139 V HA 0.153 4.274 4.120 0.002 0.000 0.298 139 V C -0.180 175.913 176.094 -0.002 0.000 1.031 139 V CA -0.737 61.578 62.300 0.027 0.000 0.871 139 V CB 2.016 33.810 31.823 -0.047 0.000 0.988 139 V HN 0.434 nan 8.190 nan 0.000 0.432 140 V N 5.307 125.282 119.914 0.103 0.000 2.328 140 V HA 0.407 4.528 4.120 0.002 0.000 0.278 140 V C -0.032 176.152 176.094 0.150 0.000 1.021 140 V CA -0.338 62.046 62.300 0.140 0.000 0.838 140 V CB 1.382 33.396 31.823 0.318 0.000 0.999 140 V HN 0.936 nan 8.190 nan 0.000 0.447 141 Q N 5.671 125.474 119.800 0.005 0.000 2.333 141 Q HA 0.568 4.910 4.340 0.002 0.000 0.265 141 Q C -1.583 174.424 176.000 0.011 0.000 0.989 141 Q CA -0.650 55.160 55.803 0.013 0.000 0.842 141 Q CB 1.594 30.202 28.738 -0.217 0.000 1.262 141 Q HN 0.691 nan 8.270 nan 0.000 0.451 142 L N 4.007 125.251 121.223 0.035 0.000 2.275 142 L HA 0.567 4.908 4.340 0.002 0.000 0.288 142 L C -0.489 176.381 176.870 -0.000 0.000 1.046 142 L CA -0.302 54.502 54.840 -0.060 0.000 0.805 142 L CB 1.174 43.140 42.059 -0.156 0.000 1.193 142 L HN 0.714 nan 8.230 nan 0.000 0.426 143 D N 1.171 121.555 120.400 -0.026 0.000 2.722 143 D HA 0.249 4.890 4.640 0.002 0.000 0.231 143 D C -0.111 176.164 176.300 -0.041 0.000 1.218 143 D CA -0.289 53.736 54.000 0.042 0.000 0.753 143 D CB 1.992 42.909 40.800 0.195 0.000 1.471 143 D HN 0.435 nan 8.370 nan 0.000 0.455 144 A N 1.763 124.497 122.820 -0.144 0.000 2.072 144 A HA 0.129 4.450 4.320 0.002 0.000 0.216 144 A C 0.332 177.668 177.584 -0.414 0.000 1.156 144 A CA 1.024 52.867 52.037 -0.323 0.000 0.701 144 A CB -0.236 18.451 19.000 -0.521 0.000 0.816 144 A HN 0.557 nan 8.150 nan 0.000 0.458 145 H N -2.571 116.546 119.070 0.078 0.000 2.621 145 H HA 0.466 5.023 4.556 0.002 0.000 0.360 145 H C 0.569 175.975 175.328 0.131 0.000 1.163 145 H CA -0.846 55.224 56.048 0.036 0.000 1.194 145 H CB 1.635 31.403 29.762 0.009 0.000 1.649 145 H HN 0.046 nan 8.280 nan 0.000 0.532 146 L N 0.775 122.164 121.223 0.278 0.000 2.072 146 L HA -0.053 4.288 4.340 0.002 0.000 0.205 146 L C 0.096 177.139 176.870 0.287 0.000 1.079 146 L CA 1.336 56.332 54.840 0.259 0.000 0.752 146 L CB -0.357 41.880 42.059 0.296 0.000 0.906 146 L HN 0.764 nan 8.230 nan 0.000 0.436 147 D N -1.125 119.433 120.400 0.263 0.000 2.689 147 D HA -0.298 4.343 4.640 0.002 0.000 0.237 147 D C 0.036 176.540 176.300 0.340 0.000 1.148 147 D CA 0.910 55.047 54.000 0.228 0.000 0.656 147 D CB -1.579 39.315 40.800 0.156 0.000 1.050 147 D HN 0.373 nan 8.370 nan 0.000 0.426 148 F N 0.165 120.185 119.950 0.116 0.000 2.814 148 F HA 0.164 4.692 4.527 0.002 0.000 0.326 148 F C 0.481 176.296 175.800 0.025 0.000 1.159 148 F CA -0.090 57.967 58.000 0.095 0.000 1.234 148 F CB 0.740 39.801 39.000 0.102 0.000 1.016 148 F HN -0.284 nan 8.300 nan 0.000 0.510 149 T N 0.674 115.215 114.554 -0.022 0.000 2.907 149 T HA 0.021 4.372 4.350 0.002 0.000 0.298 149 T C 0.932 175.506 174.700 -0.210 0.000 1.017 149 T CA 0.007 62.051 62.100 -0.093 0.000 1.118 149 T CB 1.275 70.115 68.868 -0.048 0.000 0.948 149 T HN 0.231 nan 8.240 nan 0.000 0.531 150 D N 1.955 122.229 120.400 -0.211 0.000 2.087 150 D HA -0.020 4.621 4.640 0.002 0.000 0.201 150 D C 0.453 176.617 176.300 -0.227 0.000 0.980 150 D CA 1.159 55.011 54.000 -0.247 0.000 0.849 150 D CB 0.260 40.937 40.800 -0.205 0.000 1.001 150 D HN 0.497 nan 8.370 nan 0.000 0.452 151 T N -0.066 114.383 114.554 -0.174 0.000 2.876 151 T HA 0.557 4.908 4.350 0.002 0.000 0.289 151 T C -0.564 174.066 174.700 -0.116 0.000 1.014 151 T CA -0.722 61.279 62.100 -0.165 0.000 0.986 151 T CB 2.554 71.328 68.868 -0.155 0.000 1.021 151 T HN -0.012 nan 8.240 nan 0.000 0.458 152 R N 1.985 122.422 120.500 -0.104 0.000 2.584 152 R HA 0.315 4.656 4.340 0.002 0.000 0.276 152 R C -0.753 175.512 176.300 -0.059 0.000 1.046 152 R CA -0.512 55.545 56.100 -0.071 0.000 0.906 152 R CB 0.750 31.014 30.300 -0.061 0.000 1.215 152 R HN 0.875 nan 8.270 nan 0.000 0.449 153 N N 3.262 121.934 118.700 -0.047 0.000 2.714 153 N HA -0.219 4.522 4.740 0.002 0.000 0.252 153 N C -1.036 174.452 175.510 -0.036 0.000 1.014 153 N CA 1.335 54.364 53.050 -0.034 0.000 0.735 153 N CB -0.672 37.803 38.487 -0.020 0.000 0.924 153 N HN 0.833 nan 8.380 nan 0.000 0.540 154 D N -2.528 117.841 120.400 -0.052 0.000 2.945 154 D HA -0.205 4.436 4.640 0.002 0.000 0.225 154 D C -0.142 176.110 176.300 -0.078 0.000 1.158 154 D CA 1.874 55.838 54.000 -0.060 0.000 0.805 154 D CB -0.984 39.794 40.800 -0.037 0.000 1.098 154 D HN 0.569 nan 8.370 nan 0.000 0.426 155 T N -1.348 113.141 114.554 -0.107 0.000 2.883 155 T HA 0.323 4.674 4.350 0.002 0.000 0.301 155 T C 0.476 175.003 174.700 -0.288 0.000 1.158 155 T CA -0.604 61.398 62.100 -0.164 0.000 1.007 155 T CB 1.829 70.668 68.868 -0.049 0.000 1.186 155 T HN -0.223 nan 8.240 nan 0.000 0.499 156 K N 1.581 121.629 120.400 -0.587 0.000 2.361 156 K HA 0.134 4.455 4.320 0.002 0.000 0.194 156 K C 0.399 176.622 176.600 -0.628 0.000 1.032 156 K CA 0.295 56.123 56.287 -0.765 0.000 1.048 156 K CB 0.402 32.173 32.500 -1.215 0.000 0.842 156 K HN 0.696 nan 8.250 nan 0.000 0.526 157 W N 2.530 123.844 121.300 0.024 0.000 3.067 157 W HA 0.117 4.778 4.660 0.002 0.000 0.417 157 W C 0.780 177.360 176.519 0.101 0.000 1.029 157 W CA -0.761 56.639 57.345 0.092 0.000 1.992 157 W CB -0.047 29.571 29.460 0.263 0.000 1.122 157 W HN -0.150 nan 8.180 nan 0.000 0.681 158 S N 1.278 117.081 115.700 0.173 0.000 2.617 158 S HA -0.035 4.436 4.470 0.002 0.000 0.259 158 S C 1.390 176.066 174.600 0.127 0.000 1.301 158 S CA 0.021 58.307 58.200 0.144 0.000 0.984 158 S CB 0.573 63.806 63.200 0.055 0.000 0.954 158 S HN 0.345 nan 8.310 nan 0.000 0.572 159 N N 0.225 118.999 118.700 0.123 0.000 2.515 159 N HA -0.031 4.710 4.740 0.002 0.000 0.185 159 N C 0.863 176.396 175.510 0.038 0.000 1.109 159 N CA 0.658 53.774 53.050 0.110 0.000 0.903 159 N CB -0.732 37.855 38.487 0.166 0.000 0.969 159 N HN 0.446 nan 8.380 nan 0.000 0.450 160 S N -0.670 115.038 115.700 0.014 0.000 2.593 160 S HA 0.144 4.615 4.470 0.002 0.000 0.217 160 S C 0.822 175.406 174.600 -0.028 0.000 0.966 160 S CA -0.096 58.098 58.200 -0.009 0.000 0.914 160 S CB 0.101 63.282 63.200 -0.031 0.000 0.776 160 S HN 0.380 nan 8.310 nan 0.000 0.523 161 S N 1.359 117.020 115.700 -0.065 0.000 2.701 161 S HA 0.156 4.627 4.470 0.002 0.000 0.242 161 S C -1.388 173.100 174.600 -0.186 0.000 1.025 161 S CA -0.490 57.632 58.200 -0.129 0.000 1.016 161 S CB 0.146 63.243 63.200 -0.171 0.000 0.977 161 S HN 0.400 nan 8.310 nan 0.000 0.546 162 P HA -0.132 nan 4.420 nan 0.000 0.216 162 P C 0.901 177.972 177.300 -0.382 0.000 1.153 162 P CA 1.341 64.231 63.100 -0.351 0.000 0.858 162 P CB -0.232 31.155 31.700 -0.521 0.000 0.789 163 F N -0.551 119.396 119.950 -0.004 0.000 2.456 163 F HA 0.026 4.554 4.527 0.002 0.000 0.298 163 F C 2.836 178.718 175.800 0.137 0.000 1.104 163 F CA 0.307 58.384 58.000 0.129 0.000 1.435 163 F CB -0.526 38.620 39.000 0.245 0.000 1.078 163 F HN -0.172 nan 8.300 nan 0.000 0.546 164 R N 0.803 121.263 120.500 -0.067 0.000 2.073 164 R HA 0.007 4.348 4.340 0.002 0.000 0.229 164 R C 2.246 178.351 176.300 -0.325 0.000 1.120 164 R CA 1.154 56.922 56.100 -0.554 0.000 0.967 164 R CB -0.262 29.591 30.300 -0.746 0.000 0.862 164 R HN -0.094 nan 8.270 nan 0.000 0.436 165 R N 0.204 120.479 120.500 -0.375 0.000 2.075 165 R HA 0.032 4.373 4.340 0.002 0.000 0.232 165 R C 2.089 178.167 176.300 -0.369 0.000 1.126 165 R CA 1.388 57.142 56.100 -0.576 0.000 0.963 165 R CB -0.932 28.670 30.300 -1.163 0.000 0.858 165 R HN 0.331 nan 8.270 nan 0.000 0.435 166 A N 0.693 123.447 122.820 -0.110 0.000 1.865 166 A HA -0.191 4.130 4.320 0.002 0.000 0.217 166 A C 2.649 180.315 177.584 0.138 0.000 1.191 166 A CA 1.719 53.855 52.037 0.165 0.000 0.623 166 A CB -1.014 18.086 19.000 0.166 0.000 0.826 166 A HN 0.402 nan 8.150 nan 0.000 0.444 167 C N 0.231 119.622 119.300 0.151 0.000 2.429 167 C HA -0.103 4.358 4.460 0.002 0.000 0.277 167 C C 2.666 177.711 174.990 0.091 0.000 1.262 167 C CA 1.194 60.312 59.018 0.167 0.000 1.733 167 C CB -1.370 26.552 27.740 0.305 0.000 2.010 167 C HN 0.837 nan 8.230 nan 0.000 0.483 168 E N 1.366 121.582 120.200 0.026 0.000 2.274 168 E HA -0.020 4.331 4.350 0.002 0.000 0.194 168 E C 1.834 178.461 176.600 0.045 0.000 0.996 168 E CA 1.262 57.667 56.400 0.007 0.000 0.840 168 E CB -0.206 29.460 29.700 -0.057 0.000 0.772 168 E HN 0.616 nan 8.360 nan 0.000 0.491 169 A N 1.065 123.938 122.820 0.088 0.000 2.169 169 A HA 0.253 4.574 4.320 0.002 0.000 0.210 169 A C 0.964 178.612 177.584 0.107 0.000 1.168 169 A CA -0.011 52.106 52.037 0.134 0.000 0.813 169 A CB 0.232 19.397 19.000 0.275 0.000 0.861 169 A HN 0.159 nan 8.150 nan 0.000 0.481 170 L N 0.779 122.061 121.223 0.100 0.000 2.417 170 L HA 0.309 4.650 4.340 0.002 0.000 0.259 170 L C -1.845 175.069 176.870 0.074 0.000 1.023 170 L CA -1.642 53.248 54.840 0.083 0.000 0.901 170 L CB 2.093 44.204 42.059 0.087 0.000 1.227 170 L HN 0.043 nan 8.230 nan 0.000 0.454 171 P HA -0.163 nan 4.420 nan 0.000 0.223 171 P C 0.698 178.031 177.300 0.055 0.000 1.144 171 P CA 1.183 64.317 63.100 0.056 0.000 0.783 171 P CB 0.115 31.842 31.700 0.045 0.000 0.771 172 N N 0.180 118.914 118.700 0.058 0.000 2.457 172 N HA -0.078 4.663 4.740 0.002 0.000 0.180 172 N C 0.892 176.435 175.510 0.055 0.000 1.050 172 N CA 0.103 53.188 53.050 0.058 0.000 0.906 172 N CB -0.947 37.580 38.487 0.066 0.000 0.968 172 N HN 0.239 nan 8.380 nan 0.000 0.445 173 L N 2.714 123.969 121.223 0.054 0.000 2.462 173 L HA 0.086 4.427 4.340 0.002 0.000 0.283 173 L C 1.208 178.088 176.870 0.018 0.000 1.166 173 L CA -0.355 54.503 54.840 0.031 0.000 0.964 173 L CB 0.542 42.632 42.059 0.053 0.000 1.294 173 L HN 0.005 nan 8.230 nan 0.000 0.449 174 V N 1.003 120.895 119.914 -0.036 0.000 3.235 174 V HA 0.173 4.294 4.120 0.002 0.000 0.259 174 V C 0.628 176.675 176.094 -0.078 0.000 1.133 174 V CA 0.264 62.541 62.300 -0.039 0.000 1.128 174 V CB -0.566 31.234 31.823 -0.039 0.000 0.757 174 V HN 0.781 nan 8.190 nan 0.000 0.469 175 H N -0.603 118.212 119.070 -0.425 0.000 3.112 175 H HA 0.613 5.170 4.556 0.002 0.000 0.347 175 H C -2.023 172.934 175.328 -0.618 0.000 1.188 175 H CA -0.706 55.019 56.048 -0.539 0.000 1.240 175 H CB 2.409 31.785 29.762 -0.643 0.000 1.920 175 H HN 0.232 nan 8.280 nan 0.000 0.535 176 I N 3.008 122.699 120.570 -1.464 0.000 2.545 176 I HA 0.202 4.373 4.170 0.002 0.000 0.292 176 I C -0.370 175.229 176.117 -0.864 0.000 1.040 176 I CA -0.597 60.097 61.300 -1.010 0.000 1.068 176 I CB 2.404 39.755 38.000 -1.081 0.000 1.251 176 I HN 0.451 nan 8.210 nan 0.000 0.424 177 T N 3.411 117.737 114.554 -0.379 0.000 2.809 177 T HA 0.359 4.710 4.350 0.002 0.000 0.296 177 T C -0.279 174.322 174.700 -0.165 0.000 1.015 177 T CA -0.423 61.577 62.100 -0.167 0.000 0.954 177 T CB 1.145 70.039 68.868 0.043 0.000 0.950 177 T HN 0.472 nan 8.240 nan 0.000 0.450 178 T N 3.310 117.765 114.554 -0.165 0.000 2.771 178 T HA 0.593 4.944 4.350 0.002 0.000 0.281 178 T C -0.218 174.441 174.700 -0.068 0.000 0.982 178 T CA -0.561 61.463 62.100 -0.126 0.000 0.978 178 T CB 1.063 69.854 68.868 -0.129 0.000 0.930 178 T HN 0.318 nan 8.240 nan 0.000 0.447 179 V N 2.037 121.916 119.914 -0.058 0.000 2.588 179 V HA 0.790 4.911 4.120 0.002 0.000 0.304 179 V C 0.952 177.002 176.094 -0.074 0.000 1.042 179 V CA -0.245 62.019 62.300 -0.059 0.000 0.877 179 V CB 1.344 33.128 31.823 -0.064 0.000 0.996 179 V HN 1.148 nan 8.190 nan 0.000 0.425 180 G N 3.724 112.487 108.800 -0.062 0.000 2.192 180 G HA2 -0.153 3.808 3.960 0.002 0.000 0.193 180 G HA3 -0.153 3.808 3.960 0.002 0.000 0.193 180 G C 0.017 174.900 174.900 -0.028 0.000 0.999 180 G CA -0.360 44.695 45.100 -0.075 0.000 0.659 180 G HN 0.588 nan 8.290 nan 0.000 0.503 181 L N 1.368 122.607 121.223 0.027 0.000 2.525 181 L HA 0.451 4.792 4.340 0.002 0.000 0.278 181 L C 1.189 178.173 176.870 0.191 0.000 1.218 181 L CA 0.683 55.612 54.840 0.148 0.000 0.878 181 L CB 0.239 42.432 42.059 0.224 0.000 1.127 181 L HN 0.649 nan 8.230 nan 0.000 0.492 182 R N 1.895 122.575 120.500 0.300 0.000 2.741 182 R HA 0.799 5.140 4.340 0.002 0.000 0.276 182 R C -0.750 175.696 176.300 0.244 0.000 1.028 182 R CA -0.568 55.693 56.100 0.267 0.000 0.865 182 R CB 1.595 31.951 30.300 0.092 0.000 1.268 182 R HN 0.754 nan 8.270 nan 0.000 0.475 183 G N -0.030 108.918 108.800 0.247 0.000 2.375 183 G HA2 0.052 4.013 3.960 0.002 0.000 0.663 183 G HA3 0.052 4.013 3.960 0.002 0.000 0.663 183 G C -0.140 174.893 174.900 0.221 0.000 1.391 183 G CA -0.462 44.722 45.100 0.140 0.000 0.949 183 G HN 0.455 nan 8.290 nan 0.000 0.646 184 L N -0.594 120.701 121.223 0.120 0.000 2.240 184 L HA 0.215 4.556 4.340 0.002 0.000 0.211 184 L C 1.751 178.712 176.870 0.152 0.000 1.106 184 L CA 0.800 55.716 54.840 0.127 0.000 0.793 184 L CB -0.023 42.076 42.059 0.067 0.000 0.927 184 L HN 0.474 nan 8.230 nan 0.000 0.446 185 R N -0.203 120.339 120.500 0.071 0.000 2.534 185 R HA 0.506 4.847 4.340 0.002 0.000 0.301 185 R C -1.744 174.504 176.300 -0.087 0.000 0.961 185 R CA -0.482 55.649 56.100 0.052 0.000 0.871 185 R CB 1.504 31.792 30.300 -0.019 0.000 1.170 185 R HN -0.209 nan 8.270 nan 0.000 0.446 186 F N 0.921 120.896 119.950 0.041 0.000 2.588 186 F HA 0.180 4.708 4.527 0.001 0.000 0.310 186 F C -0.105 175.715 175.800 0.033 0.000 1.082 186 F CA -0.930 57.099 58.000 0.050 0.000 0.929 186 F CB 1.820 40.848 39.000 0.046 0.000 1.254 186 F HN 0.409 nan 8.300 nan 0.000 0.455 187 D N 4.867 125.382 120.400 0.192 0.000 2.344 187 D HA 0.160 4.801 4.640 0.002 0.000 0.253 187 D C -1.492 174.891 176.300 0.138 0.000 1.255 187 D CA -2.292 51.779 54.000 0.117 0.000 0.894 187 D CB 1.190 42.038 40.800 0.080 0.000 1.067 187 D HN 0.142 nan 8.370 nan 0.000 0.492 188 P HA -0.195 nan 4.420 nan 0.000 0.216 188 P C 1.101 178.437 177.300 0.060 0.000 1.150 188 P CA 0.778 63.922 63.100 0.075 0.000 0.837 188 P CB 0.493 32.222 31.700 0.048 0.000 0.786 189 E N 0.515 120.746 120.200 0.050 0.000 2.072 189 E HA -0.120 4.231 4.350 0.002 0.000 0.191 189 E C 2.029 178.674 176.600 0.076 0.000 0.985 189 E CA 1.318 57.742 56.400 0.039 0.000 0.801 189 E CB -0.528 29.178 29.700 0.011 0.000 0.750 189 E HN 0.118 nan 8.360 nan 0.000 0.452 190 A N 0.664 123.549 122.820 0.109 0.000 1.873 190 A HA -0.107 4.215 4.320 0.002 0.000 0.215 190 A C 2.585 180.313 177.584 0.241 0.000 1.186 190 A CA 1.535 53.699 52.037 0.212 0.000 0.616 190 A CB -0.714 18.410 19.000 0.207 0.000 0.823 190 A HN 0.177 nan 8.150 nan 0.000 0.442 191 V N -0.087 119.922 119.914 0.158 0.000 2.295 191 V HA -0.241 3.880 4.120 0.002 0.000 0.246 191 V C 3.052 179.163 176.094 0.029 0.000 1.049 191 V CA 1.982 64.333 62.300 0.085 0.000 1.024 191 V CB -1.231 30.624 31.823 0.054 0.000 0.648 191 V HN 0.608 nan 8.190 nan 0.000 0.447 192 A N -0.130 122.711 122.820 0.036 0.000 1.930 192 A HA -0.062 4.259 4.320 0.002 0.000 0.217 192 A C 2.403 179.992 177.584 0.009 0.000 1.175 192 A CA 1.964 54.007 52.037 0.009 0.000 0.627 192 A CB -0.702 18.305 19.000 0.011 0.000 0.815 192 A HN 0.560 nan 8.150 nan 0.000 0.443 193 A N -0.120 122.738 122.820 0.065 0.000 1.898 193 A HA 0.201 4.522 4.320 0.002 0.000 0.216 193 A C 2.497 180.085 177.584 0.007 0.000 1.181 193 A CA 1.949 54.045 52.037 0.099 0.000 0.620 193 A CB -0.977 18.152 19.000 0.215 0.000 0.819 193 A HN 1.003 nan 8.150 nan 0.000 0.442 194 A N -0.116 122.647 122.820 -0.095 0.000 1.902 194 A HA -0.163 4.158 4.320 0.002 0.000 0.217 194 A C 2.259 179.620 177.584 -0.371 0.000 1.181 194 A CA 1.525 53.219 52.037 -0.572 0.000 0.623 194 A CB -0.465 18.217 19.000 -0.531 0.000 0.818 194 A HN 0.543 nan 8.150 nan 0.000 0.443 195 R N -0.628 119.770 120.500 -0.171 0.000 2.075 195 R HA -0.051 4.290 4.340 0.002 0.000 0.232 195 R C 2.384 178.627 176.300 -0.095 0.000 1.126 195 R CA 1.144 57.180 56.100 -0.107 0.000 0.963 195 R CB -0.447 29.814 30.300 -0.065 0.000 0.858 195 R HN 0.499 nan 8.270 nan 0.000 0.435 196 A N 1.053 123.819 122.820 -0.089 0.000 2.067 196 A HA -0.113 4.208 4.320 0.002 0.000 0.219 196 A C 1.799 179.334 177.584 -0.081 0.000 1.158 196 A CA 0.986 52.986 52.037 -0.063 0.000 0.661 196 A CB -0.198 18.779 19.000 -0.039 0.000 0.801 196 A HN 0.207 nan 8.150 nan 0.000 0.452 197 R N -1.578 118.821 120.500 -0.169 0.000 2.317 197 R HA 0.211 4.552 4.340 0.002 0.000 0.208 197 R C 1.257 177.503 176.300 -0.090 0.000 0.914 197 R CA 0.527 56.512 56.100 -0.192 0.000 1.060 197 R CB 0.033 30.058 30.300 -0.458 0.000 1.015 197 R HN 0.639 nan 8.270 nan 0.000 0.498 198 G N 0.874 109.645 108.800 -0.049 0.000 2.176 198 G HA2 -0.256 3.705 3.960 0.002 0.000 0.253 198 G HA3 -0.256 3.705 3.960 0.002 0.000 0.253 198 G C -0.172 174.831 174.900 0.171 0.000 0.979 198 G CA -0.079 45.068 45.100 0.078 0.000 0.641 198 G HN 0.344 nan 8.290 nan 0.000 0.530 199 H N 0.875 119.832 119.070 -0.189 0.000 2.852 199 H HA 0.460 5.017 4.556 0.002 0.000 0.362 199 H C 0.742 175.933 175.328 -0.228 0.000 1.122 199 H CA 0.971 56.769 56.048 -0.416 0.000 1.419 199 H CB 0.490 29.940 29.762 -0.520 0.000 1.401 199 H HN 0.128 nan 8.280 nan 0.000 0.609 200 T N 3.780 118.246 114.554 -0.146 0.000 2.749 200 T HA 0.445 4.796 4.350 0.002 0.000 0.287 200 T C 0.686 175.341 174.700 -0.075 0.000 0.970 200 T CA -0.558 61.534 62.100 -0.013 0.000 0.980 200 T CB 0.323 69.259 68.868 0.113 0.000 0.924 200 T HN 0.310 nan 8.240 nan 0.000 0.456 201 I N 4.512 125.048 120.570 -0.056 0.000 2.355 201 I HA 0.421 4.592 4.170 0.002 0.000 0.288 201 I C -0.348 175.738 176.117 -0.053 0.000 0.999 201 I CA -0.634 60.627 61.300 -0.066 0.000 1.163 201 I CB 1.154 39.109 38.000 -0.075 0.000 1.316 201 I HN 0.496 nan 8.210 nan 0.000 0.454 202 I N 8.585 129.127 120.570 -0.047 0.000 2.428 202 I HA 0.314 4.485 4.170 0.002 0.000 0.279 202 I C -2.363 173.730 176.117 -0.040 0.000 1.040 202 I CA -1.935 59.341 61.300 -0.041 0.000 1.171 202 I CB 1.137 39.117 38.000 -0.033 0.000 1.312 202 I HN 0.200 nan 8.210 nan 0.000 0.470 203 P HA 0.049 nan 4.420 nan 0.000 0.268 203 P C 0.741 178.025 177.300 -0.027 0.000 1.208 203 P CA -0.313 62.764 63.100 -0.039 0.000 0.777 203 P CB 0.660 32.321 31.700 -0.064 0.000 0.875 204 M N 2.099 121.691 119.600 -0.015 0.000 2.202 204 M HA -0.179 4.302 4.480 0.002 0.000 0.262 204 M C 1.089 177.378 176.300 -0.017 0.000 1.063 204 M CA 1.881 57.168 55.300 -0.022 0.000 1.097 204 M CB -1.134 31.457 32.600 -0.015 0.000 1.382 204 M HN 0.235 nan 8.290 nan 0.000 0.413 205 D N 0.349 120.741 120.400 -0.013 0.000 2.182 205 D HA -0.174 4.467 4.640 0.002 0.000 0.201 205 D C 1.419 177.710 176.300 -0.016 0.000 0.986 205 D CA 1.470 55.463 54.000 -0.012 0.000 0.847 205 D CB -0.331 40.461 40.800 -0.013 0.000 0.942 205 D HN 0.460 nan 8.370 nan 0.000 0.467 206 D N -0.010 120.376 120.400 -0.022 0.000 2.149 206 D HA -0.075 4.566 4.640 0.002 0.000 0.201 206 D C 2.345 178.633 176.300 -0.020 0.000 0.972 206 D CA 0.239 54.226 54.000 -0.022 0.000 0.835 206 D CB -0.204 40.580 40.800 -0.026 0.000 0.966 206 D HN 0.075 nan 8.370 nan 0.000 0.476 207 V N 0.963 120.863 119.914 -0.023 0.000 2.343 207 V HA -0.231 3.890 4.120 0.002 0.000 0.247 207 V C 2.441 178.526 176.094 -0.015 0.000 1.051 207 V CA 1.916 64.201 62.300 -0.024 0.000 1.036 207 V CB -0.804 30.998 31.823 -0.035 0.000 0.654 207 V HN 0.227 nan 8.190 nan 0.000 0.451 208 T N 0.331 114.878 114.554 -0.011 0.000 2.737 208 T HA -0.108 4.243 4.350 0.002 0.000 0.265 208 T C 2.065 176.764 174.700 -0.003 0.000 1.038 208 T CA 1.568 63.666 62.100 -0.004 0.000 1.144 208 T CB -0.405 68.463 68.868 -0.000 0.000 0.866 208 T HN 0.561 nan 8.240 nan 0.000 0.434 209 A N 0.878 123.695 122.820 -0.006 0.000 1.930 209 A HA 0.025 4.346 4.320 0.002 0.000 0.217 209 A C 1.153 178.733 177.584 -0.005 0.000 1.175 209 A CA 1.452 53.486 52.037 -0.005 0.000 0.627 209 A CB -0.067 18.929 19.000 -0.008 0.000 0.815 209 A HN 0.489 nan 8.150 nan 0.000 0.443 210 D N -1.618 118.778 120.400 -0.008 0.000 2.474 210 D HA 0.109 4.750 4.640 0.002 0.000 0.234 210 D C 0.430 176.724 176.300 -0.009 0.000 1.323 210 D CA -0.512 53.483 54.000 -0.007 0.000 0.915 210 D CB -0.111 40.684 40.800 -0.007 0.000 1.487 210 D HN -0.033 nan 8.370 nan 0.000 0.524 211 L N 2.623 123.841 121.223 -0.008 0.000 2.079 211 L HA -0.058 4.283 4.340 0.002 0.000 0.210 211 L C 1.789 178.653 176.870 -0.010 0.000 1.081 211 L CA 2.471 57.305 54.840 -0.010 0.000 0.752 211 L CB -1.039 41.016 42.059 -0.007 0.000 0.896 211 L HN 0.485 nan 8.230 nan 0.000 0.433 212 A N 0.021 122.837 122.820 -0.007 0.000 1.883 212 A HA -0.169 4.152 4.320 0.002 0.000 0.217 212 A C 2.381 179.960 177.584 -0.008 0.000 1.186 212 A CA 1.774 53.807 52.037 -0.007 0.000 0.624 212 A CB -1.397 17.601 19.000 -0.004 0.000 0.822 212 A HN 0.510 nan 8.150 nan 0.000 0.444 213 G N -0.907 107.888 108.800 -0.009 0.000 2.432 213 G HA2 -0.076 3.885 3.960 0.002 0.000 0.219 213 G HA3 -0.076 3.885 3.960 0.002 0.000 0.219 213 G C 1.463 176.357 174.900 -0.010 0.000 1.135 213 G CA 1.222 46.316 45.100 -0.009 0.000 0.767 213 G HN 0.337 nan 8.290 nan 0.000 0.550 214 V N 0.921 120.828 119.914 -0.012 0.000 2.323 214 V HA -0.064 4.057 4.120 0.002 0.000 0.244 214 V C 2.870 178.958 176.094 -0.011 0.000 1.041 214 V CA 1.270 63.562 62.300 -0.014 0.000 1.025 214 V CB -0.383 31.428 31.823 -0.020 0.000 0.656 214 V HN 0.352 nan 8.190 nan 0.000 0.451 215 L N 0.399 121.615 121.223 -0.012 0.000 2.131 215 L HA -0.146 4.195 4.340 0.002 0.000 0.210 215 L C 2.587 179.452 176.870 -0.009 0.000 1.092 215 L CA 1.456 56.289 54.840 -0.011 0.000 0.759 215 L CB -0.819 41.231 42.059 -0.014 0.000 0.903 215 L HN 0.374 nan 8.230 nan 0.000 0.435 216 A N -0.578 122.236 122.820 -0.010 0.000 2.119 216 A HA -0.150 4.171 4.320 0.002 0.000 0.217 216 A C 2.120 179.698 177.584 -0.010 0.000 1.153 216 A CA 0.969 52.999 52.037 -0.011 0.000 0.692 216 A CB -0.234 18.760 19.000 -0.010 0.000 0.799 216 A HN 0.514 nan 8.150 nan 0.000 0.458 217 Q N -0.578 119.219 119.800 -0.005 0.000 2.408 217 Q HA 0.254 4.595 4.340 0.002 0.000 0.205 217 Q C -0.082 175.925 176.000 0.012 0.000 0.919 217 Q CA -0.227 55.577 55.803 0.002 0.000 0.932 217 Q CB 0.064 28.806 28.738 0.007 0.000 1.058 217 Q HN 0.582 nan 8.270 nan 0.000 0.517 218 L N 3.036 124.265 121.223 0.010 0.000 2.467 218 L HA 0.147 4.489 4.340 0.002 0.000 0.270 218 L C -1.771 175.099 176.870 -0.000 0.000 1.205 218 L CA -1.718 53.136 54.840 0.023 0.000 0.828 218 L CB -0.270 41.804 42.059 0.025 0.000 1.101 218 L HN -0.013 nan 8.230 nan 0.000 0.479 219 P HA 0.148 nan 4.420 nan 0.000 0.270 219 P C -1.181 176.060 177.300 -0.099 0.000 1.223 219 P CA -0.164 62.890 63.100 -0.076 0.000 0.785 219 P CB 0.669 32.309 31.700 -0.100 0.000 0.923 220 R N 0.027 120.444 120.500 -0.137 0.000 2.574 220 R HA 0.494 4.835 4.340 0.002 0.000 0.288 220 R C 0.457 176.678 176.300 -0.131 0.000 1.004 220 R CA -0.283 55.752 56.100 -0.108 0.000 0.895 220 R CB 1.627 31.883 30.300 -0.073 0.000 1.191 220 R HN 0.798 nan 8.270 nan 0.000 0.444 221 G N 1.705 110.438 108.800 -0.111 0.000 2.179 221 G HA2 -0.265 3.696 3.960 0.002 0.000 0.257 221 G HA3 -0.265 3.696 3.960 0.002 0.000 0.257 221 G C 0.045 174.862 174.900 -0.139 0.000 1.010 221 G CA 0.223 45.262 45.100 -0.101 0.000 0.736 221 G HN 0.422 nan 8.290 nan 0.000 0.513 222 Q N -0.387 119.287 119.800 -0.210 0.000 2.195 222 Q HA 0.381 4.722 4.340 0.002 0.000 0.250 222 Q C -0.090 175.803 176.000 -0.177 0.000 0.988 222 Q CA -0.902 54.731 55.803 -0.284 0.000 0.911 222 Q CB 0.681 29.014 28.738 -0.675 0.000 1.258 222 Q HN 0.253 nan 8.270 nan 0.000 0.475 223 N N 0.571 119.207 118.700 -0.107 0.000 2.414 223 N HA 0.265 5.006 4.740 0.002 0.000 0.256 223 N C -0.974 174.513 175.510 -0.039 0.000 1.029 223 N CA -0.014 53.012 53.050 -0.039 0.000 0.948 223 N CB 1.175 39.685 38.487 0.037 0.000 1.102 223 N HN 0.169 nan 8.380 nan 0.000 0.496 224 V N 3.218 123.057 119.914 -0.124 0.000 2.555 224 V HA 0.302 4.423 4.120 0.002 0.000 0.302 224 V C -0.732 175.207 176.094 -0.259 0.000 1.038 224 V CA -0.876 61.308 62.300 -0.193 0.000 0.887 224 V CB 1.549 33.151 31.823 -0.368 0.000 0.991 224 V HN 0.510 nan 8.190 nan 0.000 0.434 225 Y N 4.520 124.642 120.300 -0.296 0.000 2.335 225 Y HA 0.627 5.178 4.550 0.002 0.000 0.338 225 Y C -0.826 174.975 175.900 -0.165 0.000 0.977 225 Y CA -0.855 57.084 58.100 -0.269 0.000 1.114 225 Y CB 1.305 39.599 38.460 -0.278 0.000 1.182 225 Y HN 0.546 nan 8.280 nan 0.000 0.463 226 F N 4.311 124.095 119.950 -0.278 0.000 2.410 226 F HA 0.353 4.882 4.527 0.002 0.000 0.349 226 F C 0.346 176.066 175.800 -0.134 0.000 1.117 226 F CA -0.618 57.304 58.000 -0.130 0.000 1.104 226 F CB 1.510 40.436 39.000 -0.124 0.000 1.122 226 F HN 0.421 nan 8.300 nan 0.000 0.483 227 S N 3.915 119.824 115.700 0.348 0.000 2.566 227 S HA 0.577 5.048 4.470 0.002 0.000 0.324 227 S C -1.020 173.737 174.600 0.262 0.000 1.081 227 S CA -0.578 57.862 58.200 0.401 0.000 1.105 227 S CB 0.797 64.450 63.200 0.755 0.000 0.981 227 S HN 0.354 nan 8.310 nan 0.000 0.464 228 V N 5.454 125.462 119.914 0.156 0.000 2.313 228 V HA 0.370 4.492 4.120 0.002 0.000 0.278 228 V C -0.165 175.968 176.094 0.065 0.000 1.017 228 V CA -0.865 61.497 62.300 0.103 0.000 0.823 228 V CB 1.322 33.202 31.823 0.096 0.000 1.010 228 V HN 0.839 nan 8.190 nan 0.000 0.443 229 D N 3.908 124.340 120.400 0.053 0.000 2.280 229 D HA 0.150 4.791 4.640 0.002 0.000 0.243 229 D C 1.172 177.546 176.300 0.123 0.000 1.129 229 D CA -0.320 53.687 54.000 0.011 0.000 0.848 229 D CB 2.202 43.052 40.800 0.083 0.000 1.107 229 D HN 0.387 nan 8.370 nan 0.000 0.471 230 V N 2.100 122.115 119.914 0.168 0.000 2.688 230 V HA -0.206 3.915 4.120 0.002 0.000 0.256 230 V C 1.320 177.585 176.094 0.286 0.000 1.084 230 V CA 1.952 64.431 62.300 0.299 0.000 1.103 230 V CB -0.738 31.203 31.823 0.196 0.000 0.688 230 V HN 0.559 nan 8.190 nan 0.000 0.480 231 D N 1.169 121.675 120.400 0.175 0.000 2.378 231 D HA 0.059 4.700 4.640 0.002 0.000 0.227 231 D C 1.962 178.287 176.300 0.041 0.000 1.012 231 D CA 1.021 55.102 54.000 0.134 0.000 0.905 231 D CB -0.535 40.357 40.800 0.153 0.000 0.895 231 D HN 0.460 nan 8.370 nan 0.000 0.532 232 G N -0.702 108.088 108.800 -0.017 0.000 2.443 232 G HA2 -0.051 3.910 3.960 0.002 0.000 0.219 232 G HA3 -0.051 3.910 3.960 0.002 0.000 0.219 232 G C 0.309 175.036 174.900 -0.288 0.000 1.131 232 G CA -0.091 44.891 45.100 -0.197 0.000 0.775 232 G HN 0.224 nan 8.290 nan 0.000 0.547 233 F N 0.834 120.788 119.950 0.007 0.000 2.382 233 F HA 0.242 4.770 4.527 0.001 0.000 0.331 233 F C 0.866 176.681 175.800 0.024 0.000 1.121 233 F CA -1.122 56.887 58.000 0.014 0.000 1.183 233 F CB 0.691 39.707 39.000 0.026 0.000 1.207 233 F HN -0.109 nan 8.300 nan 0.000 0.555 234 D N 3.147 123.675 120.400 0.214 0.000 2.488 234 D HA -0.012 4.629 4.640 0.002 0.000 0.238 234 D C -1.739 174.646 176.300 0.141 0.000 1.138 234 D CA -0.978 53.104 54.000 0.135 0.000 0.873 234 D CB 1.462 42.331 40.800 0.115 0.000 1.183 234 D HN 0.198 nan 8.370 nan 0.000 0.458 235 P HA -0.072 nan 4.420 nan 0.000 0.222 235 P C 0.732 178.080 177.300 0.080 0.000 1.147 235 P CA 0.940 64.098 63.100 0.096 0.000 0.790 235 P CB 0.188 31.939 31.700 0.085 0.000 0.780 236 A N -0.834 122.030 122.820 0.074 0.000 1.968 236 A HA -0.093 4.228 4.320 0.002 0.000 0.217 236 A C 2.178 179.796 177.584 0.056 0.000 1.169 236 A CA 1.495 53.567 52.037 0.058 0.000 0.638 236 A CB -1.385 17.646 19.000 0.052 0.000 0.812 236 A HN 0.048 nan 8.150 nan 0.000 0.446 237 V N -0.153 119.807 119.914 0.076 0.000 2.331 237 V HA 0.034 4.155 4.120 0.002 0.000 0.242 237 V C 0.730 176.853 176.094 0.048 0.000 1.034 237 V CA 0.913 63.253 62.300 0.066 0.000 1.027 237 V CB -0.273 31.613 31.823 0.106 0.000 0.667 237 V HN 0.421 nan 8.190 nan 0.000 0.457 238 I N 2.441 123.058 120.570 0.078 0.000 2.621 238 I HA 0.255 4.426 4.170 0.002 0.000 0.276 238 I C -1.773 174.394 176.117 0.084 0.000 1.118 238 I CA -2.009 59.331 61.300 0.066 0.000 1.159 238 I CB 0.806 38.853 38.000 0.079 0.000 1.357 238 I HN 0.212 nan 8.210 nan 0.000 0.513 239 P HA -0.018 nan 4.420 nan 0.000 0.231 239 P C 0.949 178.286 177.300 0.061 0.000 1.168 239 P CA 0.551 63.689 63.100 0.063 0.000 0.779 239 P CB 0.534 32.262 31.700 0.047 0.000 0.844 240 G N 0.056 108.891 108.800 0.057 0.000 3.008 240 G HA2 0.268 4.229 3.960 0.002 0.000 0.272 240 G HA3 0.268 4.229 3.960 0.002 0.000 0.272 240 G C -0.441 174.502 174.900 0.070 0.000 0.764 240 G CA 0.255 45.389 45.100 0.055 0.000 2.029 240 G HN 0.233 nan 8.290 nan 0.000 0.587 241 T N -0.319 114.279 114.554 0.073 0.000 2.885 241 T HA 0.359 4.710 4.350 0.002 0.000 0.322 241 T C 1.338 176.085 174.700 0.079 0.000 1.387 241 T CA 0.252 62.405 62.100 0.090 0.000 1.041 241 T CB 1.521 70.463 68.868 0.123 0.000 1.287 241 T HN 0.184 nan 8.240 nan 0.000 0.491 242 S N 1.927 117.675 115.700 0.081 0.000 2.353 242 S HA -0.016 4.455 4.470 0.002 0.000 0.222 242 S C 0.816 175.532 174.600 0.194 0.000 1.035 242 S CA 1.693 59.930 58.200 0.061 0.000 1.025 242 S CB -0.193 63.060 63.200 0.088 0.000 0.902 242 S HN 0.648 nan 8.310 nan 0.000 0.440 243 S N 3.126 118.979 115.700 0.255 0.000 2.150 243 S HA 0.415 4.886 4.470 0.002 0.000 0.171 243 S C -2.667 172.105 174.600 0.287 0.000 1.620 243 S CA -1.085 57.306 58.200 0.317 0.000 1.190 243 S CB 1.612 64.959 63.200 0.244 0.000 1.102 243 S HN 0.521 nan 8.310 nan 0.000 0.464 244 P HA 0.373 nan 4.420 nan 0.000 0.271 244 P C -0.532 176.850 177.300 0.136 0.000 1.218 244 P CA -0.172 63.024 63.100 0.160 0.000 0.780 244 P CB 0.774 32.553 31.700 0.132 0.000 0.901 245 E N 2.698 122.948 120.200 0.084 0.000 2.246 245 E HA 0.404 4.755 4.350 0.002 0.000 0.266 245 E C -2.443 174.184 176.600 0.045 0.000 0.880 245 E CA -2.776 53.656 56.400 0.053 0.000 0.762 245 E CB 1.403 31.096 29.700 -0.011 0.000 1.180 245 E HN 0.301 nan 8.360 nan 0.000 0.416 246 P HA 0.081 nan 4.420 nan 0.000 0.271 246 P C -0.837 176.486 177.300 0.038 0.000 1.233 246 P CA 0.087 63.215 63.100 0.047 0.000 0.789 246 P CB 0.405 32.133 31.700 0.046 0.000 0.951 247 D N -1.028 119.396 120.400 0.039 0.000 2.956 247 D HA -0.117 4.524 4.640 0.002 0.000 0.240 247 D C 0.694 177.008 176.300 0.023 0.000 1.141 247 D CA 1.267 55.286 54.000 0.032 0.000 0.820 247 D CB -1.547 39.270 40.800 0.029 0.000 0.988 247 D HN 0.647 nan 8.370 nan 0.000 0.417 248 G N -0.545 108.273 108.800 0.029 0.000 2.971 248 G HA2 0.680 4.641 3.960 0.002 0.000 0.235 248 G HA3 0.680 4.641 3.960 0.002 0.000 0.235 248 G C 0.266 175.171 174.900 0.007 0.000 1.351 248 G CA -0.955 44.147 45.100 0.004 0.000 1.039 248 G HN 0.210 nan 8.290 nan 0.000 0.563 249 L N 1.178 122.369 121.223 -0.052 0.000 2.416 249 L HA 0.268 4.609 4.340 0.002 0.000 0.272 249 L C 1.411 178.377 176.870 0.161 0.000 1.161 249 L CA -0.520 54.292 54.840 -0.046 0.000 0.845 249 L CB 0.808 42.675 42.059 -0.321 0.000 1.119 249 L HN 0.697 nan 8.230 nan 0.000 0.464 250 T N -1.335 113.319 114.554 0.166 0.000 2.816 250 T HA 0.050 4.401 4.350 0.002 0.000 0.282 250 T C 0.894 175.820 174.700 0.377 0.000 0.993 250 T CA -0.295 61.947 62.100 0.236 0.000 0.994 250 T CB 0.644 69.604 68.868 0.154 0.000 1.025 250 T HN 0.538 nan 8.240 nan 0.000 0.529 251 Y N 1.266 121.679 120.300 0.189 0.000 2.165 251 Y HA -0.040 4.511 4.550 0.002 0.000 0.286 251 Y C 2.695 178.684 175.900 0.149 0.000 1.155 251 Y CA 2.006 60.175 58.100 0.115 0.000 1.164 251 Y CB -0.906 37.512 38.460 -0.071 0.000 0.978 251 Y HN 0.804 nan 8.280 nan 0.000 0.513 252 A N 0.233 123.248 122.820 0.325 0.000 1.908 252 A HA -0.269 4.052 4.320 0.002 0.000 0.218 252 A C 2.080 179.717 177.584 0.088 0.000 1.181 252 A CA 2.051 54.208 52.037 0.200 0.000 0.627 252 A CB -0.751 18.340 19.000 0.153 0.000 0.818 252 A HN 0.694 nan 8.150 nan 0.000 0.445 253 Q N -0.904 118.946 119.800 0.084 0.000 2.046 253 Q HA -0.077 4.264 4.340 0.002 0.000 0.200 253 Q C 2.277 178.263 176.000 -0.023 0.000 0.975 253 Q CA 1.170 56.987 55.803 0.023 0.000 0.836 253 Q CB -0.469 28.277 28.738 0.013 0.000 0.896 253 Q HN 0.673 nan 8.270 nan 0.000 0.428 254 G N 0.849 109.649 108.800 0.000 0.000 2.418 254 G HA2 -0.293 3.669 3.960 0.002 0.000 0.217 254 G HA3 -0.293 3.669 3.960 0.002 0.000 0.217 254 G C 1.378 176.223 174.900 -0.092 0.000 1.158 254 G CA 0.996 46.047 45.100 -0.082 0.000 0.771 254 G HN 0.179 nan 8.290 nan 0.000 0.545 255 M N 0.574 120.099 119.600 -0.124 0.000 2.175 255 M HA 0.132 4.613 4.480 0.002 0.000 0.264 255 M C 2.341 178.583 176.300 -0.098 0.000 1.063 255 M CA 1.335 56.531 55.300 -0.172 0.000 1.119 255 M CB -0.258 32.217 32.600 -0.209 0.000 1.377 255 M HN 0.130 nan 8.290 nan 0.000 0.415 256 K N -0.469 119.898 120.400 -0.055 0.000 2.097 256 K HA -0.083 4.238 4.320 0.002 0.000 0.205 256 K C 1.925 178.489 176.600 -0.059 0.000 1.050 256 K CA 1.509 57.773 56.287 -0.039 0.000 0.938 256 K CB -0.316 32.174 32.500 -0.016 0.000 0.718 256 K HN 0.380 nan 8.250 nan 0.000 0.442 257 I N 1.149 121.673 120.570 -0.078 0.000 2.179 257 I HA -0.300 3.871 4.170 0.002 0.000 0.242 257 I C 2.190 178.242 176.117 -0.109 0.000 1.088 257 I CA 1.270 62.522 61.300 -0.080 0.000 1.357 257 I CB -0.256 37.687 38.000 -0.095 0.000 1.051 257 I HN 0.100 nan 8.210 nan 0.000 0.409 258 L N 0.435 121.534 121.223 -0.207 0.000 2.046 258 L HA -0.190 4.151 4.340 0.002 0.000 0.208 258 L C 2.855 179.600 176.870 -0.208 0.000 1.077 258 L CA 1.318 55.922 54.840 -0.393 0.000 0.747 258 L CB -0.790 40.947 42.059 -0.537 0.000 0.896 258 L HN 0.237 nan 8.230 nan 0.000 0.432 259 A N 0.148 122.891 122.820 -0.127 0.000 1.902 259 A HA -0.190 4.131 4.320 0.002 0.000 0.217 259 A C 2.552 180.089 177.584 -0.078 0.000 1.181 259 A CA 1.829 53.824 52.037 -0.071 0.000 0.623 259 A CB -0.745 18.228 19.000 -0.044 0.000 0.818 259 A HN 0.402 nan 8.150 nan 0.000 0.443 260 A N -0.176 122.608 122.820 -0.060 0.000 1.877 260 A HA 0.142 4.463 4.320 0.002 0.000 0.216 260 A C 2.515 180.086 177.584 -0.023 0.000 1.186 260 A CA 2.207 54.212 52.037 -0.054 0.000 0.620 260 A CB -1.036 17.944 19.000 -0.033 0.000 0.822 260 A HN 1.084 nan 8.150 nan 0.000 0.443 261 A N -0.301 122.554 122.820 0.057 0.000 1.930 261 A HA 0.212 4.533 4.320 0.002 0.000 0.217 261 A C 2.453 180.139 177.584 0.170 0.000 1.175 261 A CA 1.900 54.031 52.037 0.156 0.000 0.627 261 A CB -0.909 18.318 19.000 0.380 0.000 0.815 261 A HN 1.068 nan 8.150 nan 0.000 0.443 262 A N -0.372 122.584 122.820 0.227 0.000 2.015 262 A HA 0.246 4.567 4.320 0.002 0.000 0.219 262 A C 2.317 179.888 177.584 -0.022 0.000 1.163 262 A CA 1.719 53.860 52.037 0.172 0.000 0.646 262 A CB -0.664 18.453 19.000 0.194 0.000 0.806 262 A HN 0.985 nan 8.150 nan 0.000 0.448 263 A N -0.547 122.156 122.820 -0.195 0.000 2.067 263 A HA 0.010 4.331 4.320 0.002 0.000 0.217 263 A C 1.414 178.920 177.584 -0.129 0.000 1.156 263 A CA 1.054 52.842 52.037 -0.416 0.000 0.683 263 A CB -0.146 18.437 19.000 -0.695 0.000 0.808 263 A HN 0.508 nan 8.150 nan 0.000 0.455 264 N N 0.105 118.759 118.700 -0.076 0.000 2.197 264 N HA 0.131 4.872 4.740 0.002 0.000 0.228 264 N C -0.797 174.680 175.510 -0.054 0.000 1.212 264 N CA 0.005 53.026 53.050 -0.048 0.000 0.883 264 N CB 0.482 38.940 38.487 -0.048 0.000 1.107 264 N HN 0.415 nan 8.380 nan 0.000 0.519 265 N N -0.250 118.416 118.700 -0.056 0.000 2.774 265 N HA 0.252 4.993 4.740 0.002 0.000 0.264 265 N C -1.046 174.411 175.510 -0.088 0.000 1.415 265 N CA -0.255 52.741 53.050 -0.089 0.000 0.815 265 N CB 1.589 39.999 38.487 -0.128 0.000 1.514 265 N HN -0.264 nan 8.380 nan 0.000 0.523 266 T N 0.939 115.432 114.554 -0.103 0.000 2.762 266 T HA 0.269 4.620 4.350 0.002 0.000 0.303 266 T C 0.202 174.825 174.700 -0.129 0.000 0.977 266 T CA -0.399 61.646 62.100 -0.093 0.000 0.961 266 T CB 0.271 69.102 68.868 -0.063 0.000 0.944 266 T HN 0.123 nan 8.240 nan 0.000 0.481 267 V N 5.316 125.137 119.914 -0.156 0.000 2.427 267 V HA 0.083 4.204 4.120 0.002 0.000 0.268 267 V C 1.485 177.515 176.094 -0.107 0.000 1.046 267 V CA -0.093 62.075 62.300 -0.219 0.000 0.970 267 V CB 0.800 32.512 31.823 -0.186 0.000 1.001 267 V HN 0.854 nan 8.190 nan 0.000 0.476 268 V N 2.101 121.987 119.914 -0.047 0.000 3.590 268 V HA 0.732 4.853 4.120 0.002 0.000 0.265 268 V C 0.743 177.000 176.094 0.271 0.000 1.239 268 V CA 0.887 63.277 62.300 0.150 0.000 1.117 268 V CB -0.139 31.864 31.823 0.299 0.000 0.818 268 V HN 1.023 nan 8.190 nan 0.000 0.451 269 G N -0.405 108.416 108.800 0.035 0.000 2.328 269 G HA2 0.522 4.483 3.960 0.002 0.000 0.295 269 G HA3 0.522 4.483 3.960 0.002 0.000 0.295 269 G C -2.134 172.539 174.900 -0.379 0.000 1.413 269 G CA -0.138 44.938 45.100 -0.039 0.000 0.817 269 G HN 0.697 nan 8.290 nan 0.000 0.546 270 L N 0.443 121.442 121.223 -0.373 0.000 2.513 270 L HA 0.726 5.067 4.340 0.002 0.000 0.261 270 L C -1.826 174.951 176.870 -0.155 0.000 0.945 270 L CA -0.832 53.827 54.840 -0.302 0.000 0.848 270 L CB 2.427 44.482 42.059 -0.006 0.000 1.334 270 L HN 0.901 nan 8.230 nan 0.000 0.407 271 D N 4.172 124.548 120.400 -0.041 0.000 2.457 271 D HA 0.449 5.091 4.640 0.002 0.000 0.240 271 D C -1.456 174.910 176.300 0.111 0.000 1.041 271 D CA -0.521 53.585 54.000 0.176 0.000 0.861 271 D CB 2.308 43.334 40.800 0.378 0.000 1.394 271 D HN 0.438 nan 8.370 nan 0.000 0.473 272 L N 2.696 123.976 121.223 0.094 0.000 2.377 272 L HA 0.587 4.928 4.340 0.002 0.000 0.270 272 L C -1.011 175.893 176.870 0.057 0.000 0.991 272 L CA -0.729 54.150 54.840 0.066 0.000 0.851 272 L CB 0.663 42.753 42.059 0.052 0.000 1.218 272 L HN 0.634 nan 8.230 nan 0.000 0.420 273 V N 2.172 122.093 119.914 0.011 0.000 3.113 273 V HA 0.717 4.838 4.120 0.002 0.000 0.316 273 V C 0.277 176.372 176.094 0.002 0.000 1.125 273 V CA -0.551 61.739 62.300 -0.016 0.000 1.026 273 V CB 1.968 33.709 31.823 -0.136 0.000 1.080 273 V HN 0.762 nan 8.190 nan 0.000 0.444 274 E N -0.521 119.703 120.200 0.040 0.000 3.496 274 E HA -0.197 4.154 4.350 0.002 0.000 0.300 274 E C -0.118 176.534 176.600 0.087 0.000 0.877 274 E CA 0.980 57.426 56.400 0.077 0.000 1.050 274 E CB -0.997 28.760 29.700 0.096 0.000 1.532 274 E HN 0.770 nan 8.360 nan 0.000 0.447 275 L N 0.687 121.960 121.223 0.083 0.000 2.410 275 L HA 0.317 4.658 4.340 0.002 0.000 0.273 275 L C 0.221 177.143 176.870 0.088 0.000 1.152 275 L CA 0.415 55.307 54.840 0.087 0.000 0.855 275 L CB 0.538 42.649 42.059 0.087 0.000 1.129 275 L HN 0.127 nan 8.230 nan 0.000 0.463 276 A N 6.742 129.613 122.820 0.085 0.000 2.536 276 A HA 0.501 4.822 4.320 0.002 0.000 0.329 276 A C -2.045 175.594 177.584 0.091 0.000 1.321 276 A CA -1.279 50.812 52.037 0.091 0.000 0.804 276 A CB 0.700 19.737 19.000 0.062 0.000 1.126 276 A HN 0.616 nan 8.150 nan 0.000 0.480 277 P HA -0.186 nan 4.420 nan 0.000 0.218 277 P C 1.320 178.649 177.300 0.049 0.000 1.148 277 P CA 1.445 64.592 63.100 0.079 0.000 0.822 277 P CB 0.107 31.862 31.700 0.092 0.000 0.784 278 N N -0.070 118.671 118.700 0.069 0.000 2.453 278 N HA -0.108 4.633 4.740 0.002 0.000 0.183 278 N C 1.206 176.726 175.510 0.016 0.000 1.041 278 N CA 0.989 54.054 53.050 0.026 0.000 0.900 278 N CB -1.037 37.489 38.487 0.065 0.000 0.961 278 N HN 0.264 nan 8.380 nan 0.000 0.443 279 L N -0.445 120.793 121.223 0.025 0.000 2.628 279 L HA 0.218 4.560 4.340 0.002 0.000 0.229 279 L C -0.134 176.745 176.870 0.014 0.000 1.137 279 L CA 0.016 54.862 54.840 0.009 0.000 0.909 279 L CB 0.029 42.090 42.059 0.004 0.000 1.137 279 L HN -0.040 nan 8.230 nan 0.000 0.470 280 D N 0.422 120.832 120.400 0.016 0.000 2.363 280 D HA 0.177 4.818 4.640 0.002 0.000 0.258 280 D C -1.791 174.512 176.300 0.005 0.000 1.259 280 D CA -1.667 52.342 54.000 0.014 0.000 0.921 280 D CB 1.540 42.353 40.800 0.022 0.000 1.201 280 D HN -0.160 nan 8.370 nan 0.000 0.524 281 P HA -0.077 nan 4.420 nan 0.000 0.234 281 P C 1.118 178.413 177.300 -0.009 0.000 1.167 281 P CA 0.724 63.818 63.100 -0.009 0.000 0.763 281 P CB 0.034 31.727 31.700 -0.012 0.000 0.835 282 T N -4.770 109.781 114.554 -0.004 0.000 3.067 282 T HA 0.195 4.546 4.350 0.002 0.000 0.261 282 T C 1.734 176.430 174.700 -0.007 0.000 1.110 282 T CA 0.949 63.045 62.100 -0.006 0.000 1.113 282 T CB -1.070 67.796 68.868 -0.004 0.000 0.917 282 T HN 0.209 nan 8.240 nan 0.000 0.499 283 G N 2.571 111.370 108.800 -0.002 0.000 2.189 283 G HA2 -0.420 3.541 3.960 0.002 0.000 0.267 283 G HA3 -0.420 3.541 3.960 0.002 0.000 0.267 283 G C 1.053 175.953 174.900 -0.000 0.000 0.975 283 G CA 0.754 45.854 45.100 0.001 0.000 0.644 283 G HN 0.841 nan 8.290 nan 0.000 0.537 284 R N 0.238 120.735 120.500 -0.005 0.000 2.148 284 R HA 0.157 4.498 4.340 0.002 0.000 0.227 284 R C 2.299 178.593 176.300 -0.011 0.000 1.103 284 R CA 1.802 57.893 56.100 -0.015 0.000 0.983 284 R CB -0.552 29.736 30.300 -0.020 0.000 0.874 284 R HN 0.288 nan 8.270 nan 0.000 0.451 285 S N 1.788 117.490 115.700 0.004 0.000 2.348 285 S HA -0.165 4.306 4.470 0.002 0.000 0.221 285 S C 1.794 176.404 174.600 0.016 0.000 1.033 285 S CA 1.693 59.899 58.200 0.010 0.000 1.010 285 S CB -0.184 63.034 63.200 0.030 0.000 0.891 285 S HN 0.625 nan 8.310 nan 0.000 0.442 286 E N 1.506 121.724 120.200 0.030 0.000 2.152 286 E HA -0.061 4.290 4.350 0.002 0.000 0.192 286 E C 2.066 178.690 176.600 0.039 0.000 0.983 286 E CA 0.673 57.102 56.400 0.047 0.000 0.818 286 E CB -0.626 29.109 29.700 0.059 0.000 0.758 286 E HN 0.434 nan 8.360 nan 0.000 0.467 287 L N 0.102 121.334 121.223 0.015 0.000 2.017 287 L HA -0.182 4.159 4.340 0.002 0.000 0.208 287 L C 2.627 179.490 176.870 -0.012 0.000 1.073 287 L CA 0.799 55.638 54.840 -0.001 0.000 0.745 287 L CB -0.376 41.671 42.059 -0.019 0.000 0.894 287 L HN 0.102 nan 8.230 nan 0.000 0.432 288 L N -1.182 120.024 121.223 -0.028 0.000 2.093 288 L HA -0.177 4.164 4.340 0.002 0.000 0.208 288 L C 2.452 179.354 176.870 0.053 0.000 1.085 288 L CA 1.632 56.452 54.840 -0.033 0.000 0.755 288 L CB -0.557 41.464 42.059 -0.063 0.000 0.904 288 L HN 0.231 nan 8.230 nan 0.000 0.435 289 M N -1.467 118.145 119.600 0.019 0.000 2.319 289 M HA -0.023 4.458 4.480 0.002 0.000 0.265 289 M C 2.366 178.726 176.300 0.100 0.000 1.068 289 M CA 1.385 56.701 55.300 0.026 0.000 1.118 289 M CB -1.316 31.297 32.600 0.022 0.000 1.395 289 M HN 0.283 nan 8.290 nan 0.000 0.435 290 A N 0.015 122.906 122.820 0.118 0.000 1.930 290 A HA -0.151 4.170 4.320 0.002 0.000 0.217 290 A C 2.378 180.047 177.584 0.142 0.000 1.175 290 A CA 1.471 53.618 52.037 0.183 0.000 0.627 290 A CB -0.624 18.453 19.000 0.129 0.000 0.815 290 A HN 0.452 nan 8.150 nan 0.000 0.443 291 R N -0.700 119.850 120.500 0.083 0.000 2.092 291 R HA -0.098 4.243 4.340 0.002 0.000 0.231 291 R C 2.035 178.411 176.300 0.128 0.000 1.119 291 R CA 1.544 57.675 56.100 0.052 0.000 0.970 291 R CB -0.408 29.883 30.300 -0.016 0.000 0.864 291 R HN 0.439 nan 8.270 nan 0.000 0.440 292 L N 0.670 122.005 121.223 0.187 0.000 2.042 292 L HA -0.169 4.172 4.340 0.002 0.000 0.210 292 L C 2.138 179.046 176.870 0.063 0.000 1.076 292 L CA 1.451 56.334 54.840 0.072 0.000 0.749 292 L CB -0.239 41.761 42.059 -0.097 0.000 0.893 292 L HN -0.006 nan 8.230 nan 0.000 0.432 293 V N -0.757 119.236 119.914 0.133 0.000 2.295 293 V HA -0.309 3.812 4.120 0.002 0.000 0.246 293 V C 2.542 178.782 176.094 0.242 0.000 1.049 293 V CA 1.856 64.273 62.300 0.194 0.000 1.024 293 V CB -0.560 31.453 31.823 0.316 0.000 0.648 293 V HN 0.403 nan 8.190 nan 0.000 0.447 294 M N -0.437 119.303 119.600 0.232 0.000 2.132 294 M HA -0.150 4.331 4.480 0.002 0.000 0.263 294 M C 2.165 178.531 176.300 0.110 0.000 1.065 294 M CA 1.610 57.040 55.300 0.217 0.000 1.122 294 M CB -1.236 31.444 32.600 0.134 0.000 1.365 294 M HN 0.506 nan 8.290 nan 0.000 0.411 295 E N -0.382 119.824 120.200 0.011 0.000 2.106 295 E HA -0.137 4.214 4.350 0.002 0.000 0.192 295 E C 1.673 178.310 176.600 0.061 0.000 0.984 295 E CA 1.531 57.922 56.400 -0.015 0.000 0.806 295 E CB 0.210 29.915 29.700 0.008 0.000 0.750 295 E HN 0.408 nan 8.360 nan 0.000 0.458 296 T N 1.311 115.902 114.554 0.062 0.000 2.746 296 T HA -0.124 4.227 4.350 0.002 0.000 0.267 296 T C 1.817 176.617 174.700 0.167 0.000 1.039 296 T CA 1.070 63.200 62.100 0.049 0.000 1.142 296 T CB -0.154 68.698 68.868 -0.026 0.000 0.866 296 T HN 0.165 nan 8.240 nan 0.000 0.444 297 L N 0.357 121.730 121.223 0.251 0.000 2.131 297 L HA -0.112 4.229 4.340 0.002 0.000 0.210 297 L C 2.862 179.990 176.870 0.430 0.000 1.092 297 L CA 0.746 55.820 54.840 0.391 0.000 0.759 297 L CB -0.698 41.636 42.059 0.458 0.000 0.903 297 L HN 0.391 nan 8.230 nan 0.000 0.435 298 C N -0.219 119.271 119.300 0.317 0.000 2.432 298 C HA -0.128 4.333 4.460 0.002 0.000 0.277 298 C C 2.768 177.925 174.990 0.278 0.000 1.249 298 C CA 0.562 59.754 59.018 0.291 0.000 1.725 298 C CB -0.634 27.221 27.740 0.193 0.000 2.028 298 C HN 0.504 nan 8.230 nan 0.000 0.477 299 E N 0.519 120.858 120.200 0.230 0.000 2.051 299 E HA -0.140 4.211 4.350 0.002 0.000 0.192 299 E C 2.310 179.087 176.600 0.294 0.000 0.991 299 E CA 1.020 57.567 56.400 0.245 0.000 0.799 299 E CB -0.707 29.076 29.700 0.139 0.000 0.748 299 E HN 0.497 nan 8.360 nan 0.000 0.449 300 V N 0.848 120.909 119.914 0.245 0.000 2.255 300 V HA -0.245 3.876 4.120 0.002 0.000 0.247 300 V C 2.094 178.213 176.094 0.042 0.000 1.051 300 V CA 1.803 64.187 62.300 0.139 0.000 1.018 300 V CB -0.613 31.264 31.823 0.090 0.000 0.641 300 V HN 0.139 nan 8.190 nan 0.000 0.445 301 F N -0.073 119.960 119.950 0.139 0.000 2.771 301 F HA -0.035 4.493 4.527 0.002 0.000 0.299 301 F C 1.924 177.767 175.800 0.072 0.000 1.177 301 F CA 0.941 59.001 58.000 0.099 0.000 1.450 301 F CB -0.311 38.745 39.000 0.093 0.000 1.114 301 F HN 0.196 nan 8.300 nan 0.000 0.587 302 D N -1.607 118.913 120.400 0.199 0.000 2.305 302 D HA -0.032 4.609 4.640 0.002 0.000 0.206 302 D C 0.969 177.105 176.300 -0.273 0.000 0.974 302 D CA 1.096 55.089 54.000 -0.012 0.000 0.871 302 D CB -0.028 40.756 40.800 -0.027 0.000 0.947 302 D HN 0.308 nan 8.370 nan 0.000 0.516 303 H N -1.462 117.635 119.070 0.045 0.000 2.662 303 H HA 0.300 4.857 4.556 0.002 0.000 0.268 303 H C -0.173 175.143 175.328 -0.020 0.000 1.152 303 H CA -0.337 55.721 56.048 0.017 0.000 1.072 303 H CB 0.587 30.361 29.762 0.020 0.000 1.660 303 H HN -0.189 nan 8.280 nan 0.000 0.584 304 V N 1.841 121.769 119.914 0.023 0.000 2.715 304 V HA 0.024 4.145 4.120 0.002 0.000 0.299 304 V C 0.304 176.388 176.094 -0.016 0.000 1.054 304 V CA -0.214 62.056 62.300 -0.050 0.000 1.077 304 V CB 0.624 32.345 31.823 -0.169 0.000 0.972 304 V HN 0.157 nan 8.190 nan 0.000 0.484 305 L N 0.000 121.210 121.223 -0.021 0.000 2.949 305 L HA 0.000 4.341 4.340 0.002 0.000 0.249 305 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 305 L CB 0.000 42.056 42.059 -0.006 0.000 0.961 305 L HN 0.000 nan 8.230 nan 0.000 0.502