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 3h1c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 L N 3.106 124.332 121.223 0.006 0.000 2.333 2 L HA 0.721 5.062 4.340 0.002 0.000 0.280 2 L C 0.116 176.992 176.870 0.010 0.000 1.004 2 L CA -0.910 53.936 54.840 0.010 0.000 0.820 2 L CB 2.048 44.114 42.059 0.012 0.000 1.247 2 L HN 0.887 nan 8.230 nan 0.000 0.416 3 N N 3.609 122.317 118.700 0.013 0.000 2.362 3 N HA 0.557 5.298 4.740 0.002 0.000 0.298 3 N C -2.474 173.048 175.510 0.020 0.000 1.048 3 N CA -1.178 51.881 53.050 0.014 0.000 0.858 3 N CB 2.436 40.931 38.487 0.013 0.000 1.218 3 N HN 0.389 nan 8.380 nan 0.000 0.488 4 P HA 0.365 nan 4.420 nan 0.000 0.279 4 P C -0.707 176.611 177.300 0.030 0.000 1.252 4 P CA -0.250 62.868 63.100 0.029 0.000 0.811 4 P CB 1.416 33.135 31.700 0.030 0.000 1.035 5 I N 1.456 122.047 120.570 0.035 0.000 2.330 5 I HA 0.259 4.431 4.170 0.002 0.000 0.289 5 I C 0.432 176.574 176.117 0.041 0.000 1.001 5 I CA -0.886 60.435 61.300 0.034 0.000 1.193 5 I CB 1.542 39.561 38.000 0.032 0.000 1.345 5 I HN 0.128 nan 8.210 nan 0.000 0.461 6 V N 3.480 123.418 119.914 0.040 0.000 2.919 6 V HA 0.712 4.834 4.120 0.002 0.000 0.316 6 V C -0.432 175.697 176.094 0.057 0.000 1.077 6 V CA -0.853 61.476 62.300 0.049 0.000 0.977 6 V CB 2.063 33.911 31.823 0.041 0.000 1.039 6 V HN 0.816 nan 8.190 nan 0.000 0.441 7 R N 1.619 122.167 120.500 0.080 0.000 2.512 7 R HA 0.482 4.823 4.340 0.002 0.000 0.291 7 R C -1.182 175.214 176.300 0.160 0.000 1.097 7 R CA -0.573 55.592 56.100 0.109 0.000 0.940 7 R CB 1.976 32.342 30.300 0.109 0.000 1.198 7 R HN 0.923 nan 8.270 nan 0.000 0.429 8 K N 4.236 124.716 120.400 0.133 0.000 2.138 8 K HA 0.459 4.780 4.320 0.002 0.000 0.263 8 K C -0.988 175.732 176.600 0.200 0.000 0.965 8 K CA -0.533 55.810 56.287 0.093 0.000 0.868 8 K CB 1.285 33.803 32.500 0.029 0.000 1.083 8 K HN 0.371 nan 8.250 nan 0.000 0.443 9 F N -1.266 118.702 119.950 0.030 0.000 2.619 9 F HA 0.333 4.861 4.527 0.002 0.000 0.308 9 F C -0.890 174.951 175.800 0.070 0.000 1.097 9 F CA -1.328 56.694 58.000 0.037 0.000 0.953 9 F CB 1.102 40.114 39.000 0.020 0.000 1.287 9 F HN 0.149 nan 8.300 nan 0.000 0.446 10 Q N 2.326 122.249 119.800 0.205 0.000 2.286 10 Q HA 0.207 4.549 4.340 0.002 0.000 0.257 10 Q C -1.765 174.420 176.000 0.307 0.000 0.941 10 Q CA -0.128 55.760 55.803 0.142 0.000 0.912 10 Q CB 1.801 30.602 28.738 0.104 0.000 1.192 10 Q HN 0.839 nan 8.270 nan 0.000 0.410 11 Y N 1.396 121.732 120.300 0.059 0.000 2.344 11 Y HA 0.395 4.947 4.550 0.002 0.000 0.328 11 Y C 0.638 176.582 175.900 0.073 0.000 1.067 11 Y CA 0.409 58.579 58.100 0.117 0.000 1.247 11 Y CB 0.519 39.083 38.460 0.173 0.000 1.113 11 Y HN 0.843 nan 8.280 nan 0.000 0.465 12 G N 4.088 112.736 108.800 -0.253 0.000 3.274 12 G HA2 -0.307 3.655 3.960 0.002 0.000 0.313 12 G HA3 -0.307 3.655 3.960 0.002 0.000 0.313 12 G C 0.620 175.412 174.900 -0.180 0.000 1.295 12 G CA 0.839 45.778 45.100 -0.270 0.000 1.004 12 G HN 0.503 nan 8.290 nan 0.000 0.614 13 Q N 1.267 120.900 119.800 -0.278 0.000 2.164 13 Q HA 0.211 4.553 4.340 0.002 0.000 0.226 13 Q C 0.154 175.850 176.000 -0.507 0.000 0.813 13 Q CA 0.318 55.884 55.803 -0.395 0.000 0.978 13 Q CB 0.924 29.373 28.738 -0.482 0.000 1.149 13 Q HN 0.820 nan 8.270 nan 0.000 0.489 14 H N 0.014 119.070 119.070 -0.024 0.000 2.679 14 H HA 0.402 4.960 4.556 0.002 0.000 0.367 14 H C -0.405 174.906 175.328 -0.028 0.000 1.162 14 H CA -0.376 55.664 56.048 -0.014 0.000 1.181 14 H CB 1.653 31.417 29.762 0.003 0.000 1.693 14 H HN -0.220 nan 8.280 nan 0.000 0.538 15 T N 2.704 117.294 114.554 0.059 0.000 2.832 15 T HA 0.223 4.575 4.350 0.002 0.000 0.313 15 T C 0.504 175.107 174.700 -0.162 0.000 1.035 15 T CA -0.601 61.460 62.100 -0.064 0.000 0.950 15 T CB 0.072 68.915 68.868 -0.042 0.000 0.984 15 T HN 0.195 nan 8.240 nan 0.000 0.486 16 V N 4.514 124.186 119.914 -0.404 0.000 2.530 16 V HA 0.316 4.438 4.120 0.002 0.000 0.282 16 V C 0.678 176.476 176.094 -0.493 0.000 1.048 16 V CA -0.364 61.637 62.300 -0.499 0.000 0.997 16 V CB 0.876 32.268 31.823 -0.718 0.000 0.987 16 V HN 0.870 nan 8.190 nan 0.000 0.477 17 T N 6.717 121.151 114.554 -0.201 0.000 2.807 17 T HA 0.689 5.040 4.350 0.002 0.000 0.279 17 T C -0.479 174.225 174.700 0.007 0.000 0.993 17 T CA -0.390 61.665 62.100 -0.076 0.000 0.970 17 T CB 1.155 70.003 68.868 -0.034 0.000 0.950 17 T HN 0.365 nan 8.240 nan 0.000 0.441 18 L N 2.737 124.002 121.223 0.070 0.000 2.333 18 L HA 0.621 4.963 4.340 0.002 0.000 0.280 18 L C 0.033 176.950 176.870 0.079 0.000 1.004 18 L CA -0.657 54.239 54.840 0.093 0.000 0.820 18 L CB 1.918 44.059 42.059 0.137 0.000 1.247 18 L HN 0.620 nan 8.230 nan 0.000 0.416 19 E N 1.822 122.070 120.200 0.080 0.000 2.266 19 E HA 0.634 4.985 4.350 0.002 0.000 0.268 19 E C -1.486 175.169 176.600 0.091 0.000 0.879 19 E CA -0.372 56.074 56.400 0.078 0.000 0.762 19 E CB 2.571 32.316 29.700 0.074 0.000 1.199 19 E HN 0.499 nan 8.360 nan 0.000 0.422 20 T N 1.407 116.007 114.554 0.077 0.000 2.868 20 T HA 0.557 4.909 4.350 0.002 0.000 0.306 20 T C -0.058 174.683 174.700 0.068 0.000 1.224 20 T CA 0.435 62.583 62.100 0.078 0.000 1.012 20 T CB 1.252 70.153 68.868 0.054 0.000 1.221 20 T HN 0.869 nan 8.240 nan 0.000 0.499 21 G N 2.111 110.955 108.800 0.073 0.000 2.182 21 G HA2 -0.190 3.771 3.960 0.002 0.000 0.248 21 G HA3 -0.190 3.771 3.960 0.002 0.000 0.248 21 G C 0.291 175.224 174.900 0.055 0.000 1.042 21 G CA 0.763 45.899 45.100 0.060 0.000 0.775 21 G HN 0.801 nan 8.290 nan 0.000 0.501 22 M N -2.229 117.410 119.600 0.065 0.000 1.999 22 M HA 0.408 4.889 4.480 0.002 0.000 0.312 22 M C 1.839 178.162 176.300 0.038 0.000 0.982 22 M CA 0.350 55.677 55.300 0.044 0.000 1.125 22 M CB 0.386 33.004 32.600 0.030 0.000 2.053 22 M HN 0.272 nan 8.290 nan 0.000 0.703 23 M N 0.676 120.317 119.600 0.068 0.000 2.422 23 M HA 0.337 4.819 4.480 0.002 0.000 0.219 23 M C 0.634 176.993 176.300 0.099 0.000 1.251 23 M CA 0.736 56.060 55.300 0.040 0.000 1.236 23 M CB 0.243 32.819 32.600 -0.040 0.000 1.113 23 M HN 0.201 nan 8.290 nan 0.000 0.478 24 A N 0.381 123.326 122.820 0.209 0.000 2.294 24 A HA 0.391 4.713 4.320 0.002 0.000 0.316 24 A C 0.494 178.147 177.584 0.115 0.000 1.359 24 A CA -0.405 51.736 52.037 0.173 0.000 0.956 24 A CB 0.081 19.224 19.000 0.239 0.000 1.155 24 A HN 0.484 nan 8.150 nan 0.000 0.544 25 R N 0.777 121.325 120.500 0.081 0.000 2.156 25 R HA -0.015 4.327 4.340 0.002 0.000 0.207 25 R C 1.379 177.716 176.300 0.061 0.000 1.040 25 R CA 0.485 56.624 56.100 0.065 0.000 1.013 25 R CB 0.090 30.421 30.300 0.051 0.000 0.931 25 R HN 0.704 nan 8.270 nan 0.000 0.465 26 Q N 0.617 120.453 119.800 0.059 0.000 2.230 26 Q HA 0.087 4.429 4.340 0.002 0.000 0.202 26 Q C 0.548 176.585 176.000 0.060 0.000 0.963 26 Q CA 0.685 56.521 55.803 0.054 0.000 0.866 26 Q CB 0.008 28.774 28.738 0.047 0.000 0.931 26 Q HN 0.190 nan 8.270 nan 0.000 0.452 27 A N 1.127 123.985 122.820 0.064 0.000 2.388 27 A HA 0.211 4.532 4.320 0.002 0.000 0.257 27 A C 1.396 179.018 177.584 0.063 0.000 1.095 27 A CA 0.292 52.364 52.037 0.058 0.000 0.791 27 A CB 0.317 19.344 19.000 0.044 0.000 1.029 27 A HN 0.364 nan 8.150 nan 0.000 0.489 28 T N -0.624 113.976 114.554 0.076 0.000 2.881 28 T HA 0.277 4.628 4.350 0.002 0.000 0.270 28 T C 0.623 175.357 174.700 0.057 0.000 1.068 28 T CA 1.196 63.359 62.100 0.104 0.000 1.131 28 T CB -0.287 68.684 68.868 0.170 0.000 0.871 28 T HN 1.718 nan 8.240 nan 0.000 0.479 29 A N 0.037 122.863 122.820 0.010 0.000 2.488 29 A HA 0.833 5.154 4.320 0.002 0.000 0.298 29 A C -0.945 176.601 177.584 -0.063 0.000 1.044 29 A CA -0.536 51.483 52.037 -0.029 0.000 0.693 29 A CB 1.551 20.507 19.000 -0.073 0.000 1.272 29 A HN 1.033 nan 8.150 nan 0.000 0.402 30 A N 1.358 124.146 122.820 -0.053 0.000 2.497 30 A HA 0.667 4.988 4.320 0.002 0.000 0.280 30 A C -0.728 176.835 177.584 -0.034 0.000 1.065 30 A CA 0.053 52.033 52.037 -0.095 0.000 0.781 30 A CB 0.721 19.754 19.000 0.055 0.000 1.289 30 A HN 2.266 nan 8.150 nan 0.000 0.415 31 V N 0.006 119.847 119.914 -0.123 0.000 2.876 31 V HA 0.852 4.973 4.120 0.002 0.000 0.312 31 V C -0.331 175.799 176.094 0.060 0.000 1.085 31 V CA -0.910 61.391 62.300 0.002 0.000 0.945 31 V CB 1.891 33.706 31.823 -0.013 0.000 1.017 31 V HN 0.972 nan 8.190 nan 0.000 0.428 32 M N 4.319 124.042 119.600 0.204 0.000 2.072 32 M HA 0.651 5.133 4.480 0.002 0.000 0.331 32 M C -1.342 175.041 176.300 0.139 0.000 1.004 32 M CA -0.538 54.927 55.300 0.275 0.000 0.952 32 M CB 1.405 34.194 32.600 0.315 0.000 1.511 32 M HN 0.736 nan 8.290 nan 0.000 0.422 33 V N 3.080 123.059 119.914 0.108 0.000 2.481 33 V HA 0.543 4.664 4.120 0.002 0.000 0.286 33 V C -0.061 176.065 176.094 0.053 0.000 1.042 33 V CA -0.542 61.798 62.300 0.066 0.000 0.928 33 V CB 1.483 33.337 31.823 0.052 0.000 0.986 33 V HN 0.851 nan 8.190 nan 0.000 0.462 34 S N 4.205 119.917 115.700 0.020 0.000 2.721 34 S HA 0.392 4.863 4.470 0.002 0.000 0.264 34 S C 0.451 175.032 174.600 -0.032 0.000 1.161 34 S CA -0.595 57.607 58.200 0.003 0.000 1.113 34 S CB 1.146 64.350 63.200 0.006 0.000 1.079 34 S HN 0.795 nan 8.310 nan 0.000 0.479 35 M N 3.059 122.640 119.600 -0.031 0.000 2.066 35 M HA -0.032 4.449 4.480 0.002 0.000 0.259 35 M C 1.110 177.386 176.300 -0.040 0.000 1.074 35 M CA 2.366 57.640 55.300 -0.045 0.000 1.114 35 M CB -0.042 32.524 32.600 -0.057 0.000 1.306 35 M HN 0.736 nan 8.290 nan 0.000 0.411 36 D N -2.466 117.903 120.400 -0.053 0.000 2.412 36 D HA -0.001 4.641 4.640 0.002 0.000 0.298 36 D C 0.724 177.023 176.300 -0.001 0.000 1.136 36 D CA 0.817 54.817 54.000 -0.001 0.000 0.988 36 D CB 0.373 41.194 40.800 0.033 0.000 1.712 36 D HN 0.352 nan 8.370 nan 0.000 0.503 37 D N -1.058 119.332 120.400 -0.018 0.000 2.292 37 D HA 0.091 4.732 4.640 0.002 0.000 0.322 37 D C -0.609 175.689 176.300 -0.003 0.000 1.087 37 D CA 0.442 54.440 54.000 -0.003 0.000 0.857 37 D CB 0.701 41.504 40.800 0.005 0.000 1.445 37 D HN -0.025 nan 8.370 nan 0.000 0.528 38 T N 1.029 115.573 114.554 -0.017 0.000 2.780 38 T HA 0.704 5.055 4.350 0.002 0.000 0.294 38 T C -0.104 174.602 174.700 0.011 0.000 0.949 38 T CA -0.173 61.924 62.100 -0.004 0.000 1.074 38 T CB 1.420 70.279 68.868 -0.015 0.000 0.910 38 T HN 0.214 nan 8.240 nan 0.000 0.501 39 A N 3.269 126.107 122.820 0.029 0.000 2.355 39 A HA 0.755 5.077 4.320 0.002 0.000 0.317 39 A C -0.776 176.850 177.584 0.069 0.000 1.094 39 A CA -0.672 51.395 52.037 0.050 0.000 0.764 39 A CB 1.236 20.269 19.000 0.055 0.000 1.230 39 A HN 0.657 nan 8.150 nan 0.000 0.448 40 V N 2.570 122.538 119.914 0.091 0.000 2.483 40 V HA 0.362 4.483 4.120 0.002 0.000 0.297 40 V C -1.047 175.141 176.094 0.158 0.000 1.027 40 V CA -0.351 62.012 62.300 0.106 0.000 0.855 40 V CB 1.337 33.223 31.823 0.104 0.000 0.995 40 V HN 0.812 nan 8.190 nan 0.000 0.424 41 F N 6.243 126.198 119.950 0.008 0.000 2.404 41 F HA 0.654 5.183 4.527 0.002 0.000 0.358 41 F C -0.181 175.624 175.800 0.007 0.000 1.120 41 F CA -0.409 57.597 58.000 0.011 0.000 1.144 41 F CB 1.074 40.083 39.000 0.015 0.000 1.133 41 F HN 0.269 nan 8.300 nan 0.000 0.495 42 V N 5.082 124.703 119.914 -0.488 0.000 2.495 42 V HA 0.525 4.646 4.120 0.002 0.000 0.298 42 V C -0.317 175.428 176.094 -0.581 0.000 1.031 42 V CA -0.642 61.417 62.300 -0.401 0.000 0.871 42 V CB 1.827 33.542 31.823 -0.180 0.000 0.988 42 V HN 0.838 nan 8.190 nan 0.000 0.432 43 T N 1.477 115.774 114.554 -0.429 0.000 2.861 43 T HA 0.790 5.141 4.350 0.002 0.000 0.287 43 T C -0.858 173.739 174.700 -0.171 0.000 1.003 43 T CA -0.771 61.138 62.100 -0.319 0.000 0.977 43 T CB 1.826 70.535 68.868 -0.265 0.000 0.996 43 T HN 0.284 nan 8.240 nan 0.000 0.448 44 V N 2.922 122.756 119.914 -0.133 0.000 2.444 44 V HA 0.558 4.679 4.120 0.002 0.000 0.294 44 V C -0.491 175.574 176.094 -0.049 0.000 1.022 44 V CA -0.759 61.483 62.300 -0.098 0.000 0.850 44 V CB 1.704 33.448 31.823 -0.131 0.000 0.992 44 V HN 0.898 nan 8.190 nan 0.000 0.426 45 V N 3.946 123.846 119.914 -0.024 0.000 2.409 45 V HA 0.853 4.975 4.120 0.002 0.000 0.291 45 V C 0.520 176.640 176.094 0.043 0.000 1.020 45 V CA -0.235 62.079 62.300 0.023 0.000 0.848 45 V CB 1.732 33.570 31.823 0.025 0.000 0.990 45 V HN 0.959 nan 8.190 nan 0.000 0.430 46 G N 3.462 112.327 108.800 0.109 0.000 2.617 46 G HA2 0.598 4.560 3.960 0.002 0.000 0.306 46 G HA3 0.598 4.560 3.960 0.002 0.000 0.306 46 G C -1.061 174.072 174.900 0.388 0.000 1.360 46 G CA -0.559 44.641 45.100 0.167 0.000 0.983 46 G HN 0.573 nan 8.290 nan 0.000 0.496 47 Q N 0.851 120.847 119.800 0.327 0.000 2.299 47 Q HA 0.231 4.573 4.340 0.002 0.000 0.246 47 Q C 0.874 177.148 176.000 0.457 0.000 0.935 47 Q CA -0.336 55.646 55.803 0.299 0.000 0.887 47 Q CB 2.301 31.116 28.738 0.129 0.000 1.223 47 Q HN 0.565 nan 8.270 nan 0.000 0.439 48 K N 1.081 121.543 120.400 0.103 0.000 2.076 48 K HA -0.034 4.288 4.320 0.002 0.000 0.204 48 K C 0.309 176.909 176.600 0.001 0.000 1.051 48 K CA 0.974 57.115 56.287 -0.243 0.000 0.949 48 K CB 0.319 32.547 32.500 -0.455 0.000 0.726 48 K HN 0.235 nan 8.250 nan 0.000 0.443 49 K N 0.703 121.108 120.400 0.008 0.000 2.521 49 K HA 0.309 4.630 4.320 0.002 0.000 0.248 49 K C -1.147 175.461 176.600 0.012 0.000 0.978 49 K CA -0.462 55.836 56.287 0.018 0.000 0.947 49 K CB 1.540 34.036 32.500 -0.006 0.000 1.165 49 K HN 0.060 nan 8.250 nan 0.000 0.445 50 A N 1.979 124.799 122.820 0.000 0.000 2.250 50 A HA 0.360 4.681 4.320 0.002 0.000 0.283 50 A C -0.289 177.270 177.584 -0.040 0.000 1.206 50 A CA -0.546 51.469 52.037 -0.036 0.000 0.840 50 A CB 0.350 19.296 19.000 -0.090 0.000 1.220 50 A HN 0.501 nan 8.150 nan 0.000 0.505 51 K N 0.683 121.046 120.400 -0.061 0.000 2.276 51 K HA 0.269 4.591 4.320 0.002 0.000 0.259 51 K C -1.768 174.802 176.600 -0.051 0.000 1.001 51 K CA -0.217 56.038 56.287 -0.052 0.000 0.927 51 K CB 0.178 32.640 32.500 -0.063 0.000 0.969 51 K HN 0.734 nan 8.250 nan 0.000 0.490 52 P HA 0.079 nan 4.420 nan 0.000 0.234 52 P C 0.756 178.042 177.300 -0.024 0.000 1.175 52 P CA 0.586 63.673 63.100 -0.022 0.000 0.801 52 P CB 0.255 31.948 31.700 -0.010 0.000 0.891 53 G N 0.652 109.435 108.800 -0.028 0.000 3.562 53 G HA2 0.061 4.022 3.960 0.002 0.000 0.279 53 G HA3 0.061 4.022 3.960 0.002 0.000 0.279 53 G C 0.273 175.148 174.900 -0.042 0.000 1.314 53 G CA -0.078 45.011 45.100 -0.019 0.000 1.189 53 G HN 0.128 nan 8.290 nan 0.000 0.562 54 Q N 0.721 120.469 119.800 -0.087 0.000 2.316 54 Q HA 0.216 4.557 4.340 0.002 0.000 0.264 54 Q C -0.162 175.765 176.000 -0.122 0.000 0.987 54 Q CA -0.426 55.264 55.803 -0.189 0.000 0.852 54 Q CB 2.256 30.814 28.738 -0.300 0.000 1.287 54 Q HN 0.480 nan 8.270 nan 0.000 0.448 55 D N 0.617 120.970 120.400 -0.079 0.000 2.454 55 D HA 0.020 4.661 4.640 0.002 0.000 0.219 55 D C 0.323 176.683 176.300 0.101 0.000 1.081 55 D CA 0.173 54.198 54.000 0.041 0.000 0.867 55 D CB 0.066 40.931 40.800 0.110 0.000 1.054 55 D HN 0.317 nan 8.370 nan 0.000 0.500 56 F N -0.227 119.739 119.950 0.026 0.000 2.492 56 F HA 0.605 5.133 4.527 0.003 0.000 0.327 56 F C -0.549 175.299 175.800 0.079 0.000 1.079 56 F CA -2.296 55.732 58.000 0.046 0.000 0.967 56 F CB 0.852 39.863 39.000 0.019 0.000 1.169 56 F HN -0.252 nan 8.300 nan 0.000 0.472 57 F N 5.687 125.673 119.950 0.059 0.000 2.462 57 F HA 0.460 4.989 4.527 0.002 0.000 0.360 57 F C -2.392 173.415 175.800 0.012 0.000 1.134 57 F CA -3.495 54.471 58.000 -0.056 0.000 1.148 57 F CB 0.373 39.355 39.000 -0.031 0.000 1.147 57 F HN 0.278 nan 8.300 nan 0.000 0.550 58 P HA 0.212 nan 4.420 nan 0.000 0.226 58 P C -0.889 176.044 177.300 -0.611 0.000 1.832 58 P CA -0.116 62.775 63.100 -0.350 0.000 1.092 58 P CB 0.543 32.079 31.700 -0.273 0.000 1.873 59 L N 1.747 122.487 121.223 -0.804 0.000 2.282 59 L HA 0.654 4.996 4.340 0.002 0.000 0.288 59 L C -0.345 176.350 176.870 -0.292 0.000 1.033 59 L CA -0.060 54.382 54.840 -0.662 0.000 0.807 59 L CB 1.602 43.163 42.059 -0.830 0.000 1.209 59 L HN 0.109 nan 8.230 nan 0.000 0.423 60 T N 4.450 118.886 114.554 -0.196 0.000 2.879 60 T HA 0.596 4.948 4.350 0.002 0.000 0.290 60 T C -1.170 173.487 174.700 -0.071 0.000 0.993 60 T CA -0.445 61.593 62.100 -0.104 0.000 0.975 60 T CB 1.123 69.946 68.868 -0.075 0.000 0.981 60 T HN 0.329 nan 8.240 nan 0.000 0.439 61 V N 6.189 126.079 119.914 -0.041 0.000 2.384 61 V HA 0.539 4.660 4.120 0.002 0.000 0.287 61 V C -0.410 175.692 176.094 0.015 0.000 1.020 61 V CA -1.055 61.237 62.300 -0.013 0.000 0.850 61 V CB 1.559 33.381 31.823 -0.002 0.000 0.987 61 V HN 0.811 nan 8.190 nan 0.000 0.436 62 N N 3.612 122.326 118.700 0.024 0.000 2.511 62 N HA 0.317 5.059 4.740 0.002 0.000 0.249 62 N C -1.106 174.451 175.510 0.078 0.000 0.971 62 N CA -0.339 52.736 53.050 0.041 0.000 0.938 62 N CB 1.435 39.927 38.487 0.009 0.000 1.131 62 N HN 0.731 nan 8.380 nan 0.000 0.505 63 Y N 2.479 122.765 120.300 -0.023 0.000 2.320 63 Y HA 0.279 4.831 4.550 0.002 0.000 0.334 63 Y C -0.360 175.530 175.900 -0.017 0.000 1.055 63 Y CA -0.473 57.615 58.100 -0.021 0.000 1.143 63 Y CB 0.832 39.280 38.460 -0.021 0.000 1.193 63 Y HN 0.403 nan 8.280 nan 0.000 0.477 64 Q N 4.338 123.812 119.800 -0.544 0.000 2.268 64 Q HA 0.409 4.751 4.340 0.002 0.000 0.266 64 Q C -1.700 174.006 176.000 -0.490 0.000 1.006 64 Q CA -0.939 54.636 55.803 -0.380 0.000 0.824 64 Q CB 2.167 30.794 28.738 -0.185 0.000 1.306 64 Q HN 0.652 nan 8.270 nan 0.000 0.424 65 E N 2.610 122.599 120.200 -0.351 0.000 2.115 65 E HA 0.288 4.639 4.350 0.002 0.000 0.282 65 E C -0.581 175.874 176.600 -0.241 0.000 0.987 65 E CA -0.812 55.417 56.400 -0.284 0.000 0.797 65 E CB 1.162 30.774 29.700 -0.148 0.000 1.086 65 E HN 0.239 nan 8.360 nan 0.000 0.397 66 R N 1.414 121.716 120.500 -0.331 0.000 2.441 66 R HA 0.067 4.409 4.340 0.002 0.000 0.284 66 R C 1.234 177.255 176.300 -0.466 0.000 1.070 66 R CA 0.037 55.840 56.100 -0.496 0.000 1.047 66 R CB 0.748 30.475 30.300 -0.955 0.000 1.016 66 R HN 0.661 nan 8.270 nan 0.000 0.477 67 T N -1.144 113.209 114.554 -0.336 0.000 2.995 67 T HA -0.134 4.217 4.350 0.002 0.000 0.269 67 T C 1.620 176.257 174.700 -0.105 0.000 1.091 67 T CA 1.010 63.017 62.100 -0.155 0.000 1.128 67 T CB -0.330 68.513 68.868 -0.041 0.000 0.891 67 T HN 0.748 nan 8.240 nan 0.000 0.492 68 Y N 0.700 120.996 120.300 -0.007 0.000 2.578 68 Y HA 0.662 5.214 4.550 0.003 0.000 0.297 68 Y C 2.367 178.262 175.900 -0.008 0.000 1.176 68 Y CA -0.499 57.597 58.100 -0.008 0.000 1.315 68 Y CB -0.745 37.708 38.460 -0.012 0.000 1.031 68 Y HN 0.238 nan 8.280 nan 0.000 0.524 69 A N 1.427 124.180 122.820 -0.111 0.000 1.873 69 A HA 0.017 4.338 4.320 0.002 0.000 0.215 69 A C 2.413 180.005 177.584 0.012 0.000 1.186 69 A CA 1.694 53.709 52.037 -0.037 0.000 0.616 69 A CB -1.113 17.814 19.000 -0.122 0.000 0.823 69 A HN 0.589 nan 8.150 nan 0.000 0.442 70 A N -2.094 120.724 122.820 -0.003 0.000 2.021 70 A HA 0.416 4.737 4.320 0.002 0.000 0.216 70 A C 1.681 179.283 177.584 0.030 0.000 1.163 70 A CA 1.392 53.436 52.037 0.012 0.000 0.676 70 A CB -0.602 18.400 19.000 0.004 0.000 0.818 70 A HN 1.975 nan 8.150 nan 0.000 0.453 71 G N -0.904 107.924 108.800 0.046 0.000 2.309 71 G HA2 -0.117 3.845 3.960 0.002 0.000 0.183 71 G HA3 -0.117 3.845 3.960 0.002 0.000 0.183 71 G C -0.205 174.721 174.900 0.043 0.000 1.063 71 G CA -0.067 45.067 45.100 0.056 0.000 0.768 71 G HN 0.558 nan 8.290 nan 0.000 0.490 72 R N -0.843 119.683 120.500 0.042 0.000 2.673 72 R HA 0.587 4.928 4.340 0.002 0.000 0.281 72 R C 0.049 176.372 176.300 0.038 0.000 0.991 72 R CA -1.041 55.078 56.100 0.032 0.000 0.896 72 R CB 1.758 32.071 30.300 0.021 0.000 1.201 72 R HN 0.211 nan 8.270 nan 0.000 0.457 73 I N 4.540 125.130 120.570 0.033 0.000 2.416 73 I HA 0.148 4.319 4.170 0.002 0.000 0.288 73 I C -1.518 174.616 176.117 0.028 0.000 1.051 73 I CA -1.691 59.629 61.300 0.034 0.000 1.375 73 I CB 0.613 38.627 38.000 0.023 0.000 1.407 73 I HN 0.277 nan 8.210 nan 0.000 0.516 74 P HA -0.012 nan 4.420 nan 0.000 0.266 74 P C 0.670 177.992 177.300 0.037 0.000 1.193 74 P CA -0.097 63.024 63.100 0.034 0.000 0.770 74 P CB 0.568 32.294 31.700 0.043 0.000 0.836 75 G N 0.980 109.805 108.800 0.041 0.000 3.181 75 G HA2 0.065 4.027 3.960 0.002 0.000 0.219 75 G HA3 0.065 4.027 3.960 0.002 0.000 0.219 75 G C 0.573 175.514 174.900 0.069 0.000 1.182 75 G CA -0.084 45.043 45.100 0.045 0.000 0.791 75 G HN 0.656 nan 8.290 nan 0.000 0.537 76 S N -0.947 114.806 115.700 0.088 0.000 2.614 76 S HA 0.336 4.808 4.470 0.002 0.000 0.265 76 S C 0.935 175.627 174.600 0.153 0.000 1.303 76 S CA -0.665 57.622 58.200 0.145 0.000 1.000 76 S CB 1.078 64.381 63.200 0.172 0.000 0.935 76 S HN 0.105 nan 8.310 nan 0.000 0.551 77 F N 0.541 120.514 119.950 0.038 0.000 2.234 77 F HA 0.111 4.640 4.527 0.003 0.000 0.299 77 F C 1.271 176.962 175.800 -0.182 0.000 1.087 77 F CA 0.925 58.867 58.000 -0.098 0.000 1.340 77 F CB -0.267 38.621 39.000 -0.186 0.000 1.031 77 F HN 0.614 nan 8.300 nan 0.000 0.500 78 F N 0.208 120.210 119.950 0.088 0.000 2.797 78 F HA 0.182 4.710 4.527 0.002 0.000 0.302 78 F C 0.898 176.678 175.800 -0.032 0.000 1.130 78 F CA 0.096 58.101 58.000 0.009 0.000 1.387 78 F CB -0.061 38.986 39.000 0.078 0.000 1.107 78 F HN -0.242 nan 8.300 nan 0.000 0.577 79 R N 0.891 121.454 120.500 0.106 0.000 3.641 79 R HA -0.223 4.118 4.340 0.002 0.000 0.286 79 R C -0.157 176.196 176.300 0.088 0.000 1.153 79 R CA 0.505 56.641 56.100 0.060 0.000 0.775 79 R CB -2.105 28.196 30.300 0.001 0.000 1.215 79 R HN 0.394 nan 8.270 nan 0.000 0.474 80 R N 1.189 121.764 120.500 0.125 0.000 2.522 80 R HA 0.081 4.422 4.340 0.002 0.000 0.283 80 R C 0.208 176.553 176.300 0.076 0.000 1.074 80 R CA -0.551 55.603 56.100 0.089 0.000 0.925 80 R CB 1.433 31.782 30.300 0.081 0.000 1.205 80 R HN 0.129 nan 8.270 nan 0.000 0.436 81 E N 2.682 122.910 120.200 0.047 0.000 2.468 81 E HA 0.102 4.454 4.350 0.002 0.000 0.263 81 E C -0.395 176.215 176.600 0.016 0.000 1.192 81 E CA 0.529 56.947 56.400 0.029 0.000 1.016 81 E CB 0.821 30.521 29.700 0.000 0.000 0.980 81 E HN 0.796 nan 8.360 nan 0.000 0.467 82 G N 0.165 108.971 108.800 0.010 0.000 3.064 82 G HA2 0.342 4.304 3.960 0.002 0.000 0.151 82 G HA3 0.342 4.304 3.960 0.002 0.000 0.151 82 G C -0.089 174.809 174.900 -0.004 0.000 1.489 82 G CA 0.109 45.204 45.100 -0.008 0.000 1.066 82 G HN 0.764 nan 8.290 nan 0.000 0.740 83 R N 1.191 121.695 120.500 0.006 0.000 2.390 83 R HA 0.695 5.037 4.340 0.002 0.000 0.291 83 R C -2.352 173.960 176.300 0.019 0.000 1.070 83 R CA -1.150 54.957 56.100 0.011 0.000 1.014 83 R CB -0.976 29.333 30.300 0.015 0.000 1.007 83 R HN 0.407 nan 8.270 nan 0.000 0.466 84 P HA 0.164 nan 4.420 nan 0.000 0.268 84 P C -0.183 177.143 177.300 0.043 0.000 1.204 84 P CA -0.207 62.913 63.100 0.034 0.000 0.768 84 P CB 1.327 33.053 31.700 0.043 0.000 0.842 85 S N 1.333 117.063 115.700 0.050 0.000 2.652 85 S HA 0.342 4.814 4.470 0.002 0.000 0.267 85 S C 1.911 176.546 174.600 0.059 0.000 1.201 85 S CA 0.311 58.544 58.200 0.054 0.000 0.996 85 S CB 0.235 63.467 63.200 0.053 0.000 1.054 85 S HN 0.498 nan 8.310 nan 0.000 0.561 86 E N 0.194 120.430 120.200 0.061 0.000 2.153 86 E HA -0.013 4.338 4.350 0.002 0.000 0.194 86 E C 2.029 178.656 176.600 0.045 0.000 0.988 86 E CA 1.646 58.081 56.400 0.058 0.000 0.811 86 E CB -1.519 28.223 29.700 0.071 0.000 0.746 86 E HN 0.802 nan 8.360 nan 0.000 0.466 87 G N 0.436 109.267 108.800 0.052 0.000 2.394 87 G HA2 -0.191 3.771 3.960 0.002 0.000 0.214 87 G HA3 -0.191 3.771 3.960 0.002 0.000 0.214 87 G C 1.682 176.621 174.900 0.065 0.000 1.176 87 G CA 0.826 45.955 45.100 0.048 0.000 0.786 87 G HN 0.573 nan 8.290 nan 0.000 0.533 88 E N 0.003 120.273 120.200 0.116 0.000 2.204 88 E HA -0.061 4.291 4.350 0.002 0.000 0.194 88 E C 2.659 179.351 176.600 0.153 0.000 0.989 88 E CA 1.250 57.785 56.400 0.226 0.000 0.824 88 E CB -0.045 29.773 29.700 0.195 0.000 0.756 88 E HN 0.357 nan 8.360 nan 0.000 0.477 89 T N 1.408 116.004 114.554 0.070 0.000 2.857 89 T HA -0.044 4.308 4.350 0.002 0.000 0.266 89 T C 1.739 176.426 174.700 -0.022 0.000 1.048 89 T CA 0.378 62.497 62.100 0.031 0.000 1.139 89 T CB 0.065 68.949 68.868 0.027 0.000 0.874 89 T HN 0.047 nan 8.240 nan 0.000 0.455 90 L N 1.028 122.228 121.223 -0.040 0.000 2.141 90 L HA 0.020 4.362 4.340 0.002 0.000 0.209 90 L C 2.250 179.038 176.870 -0.136 0.000 1.094 90 L CA 1.316 56.107 54.840 -0.082 0.000 0.763 90 L CB -0.855 41.164 42.059 -0.068 0.000 0.908 90 L HN 0.276 nan 8.230 nan 0.000 0.437 91 I N -0.323 120.123 120.570 -0.205 0.000 2.439 91 I HA -0.127 4.044 4.170 0.002 0.000 0.251 91 I C 2.744 178.645 176.117 -0.360 0.000 1.139 91 I CA 1.074 62.131 61.300 -0.404 0.000 1.438 91 I CB -1.590 35.891 38.000 -0.866 0.000 1.085 91 I HN 0.080 nan 8.210 nan 0.000 0.427 92 A N 1.036 123.738 122.820 -0.197 0.000 1.933 92 A HA -0.185 4.136 4.320 0.002 0.000 0.218 92 A C 2.494 180.038 177.584 -0.067 0.000 1.175 92 A CA 1.338 53.339 52.037 -0.060 0.000 0.628 92 A CB -0.535 18.486 19.000 0.034 0.000 0.814 92 A HN 0.309 nan 8.150 nan 0.000 0.444 93 R N -1.506 118.943 120.500 -0.085 0.000 2.148 93 R HA 0.066 4.408 4.340 0.002 0.000 0.223 93 R C 1.833 178.081 176.300 -0.087 0.000 1.088 93 R CA 0.854 56.904 56.100 -0.084 0.000 0.985 93 R CB -0.285 29.950 30.300 -0.108 0.000 0.880 93 R HN 0.450 nan 8.270 nan 0.000 0.451 94 L N 0.392 121.548 121.223 -0.112 0.000 2.376 94 L HA -0.025 4.317 4.340 0.002 0.000 0.219 94 L C 1.602 178.427 176.870 -0.076 0.000 1.133 94 L CA 1.415 56.193 54.840 -0.103 0.000 0.816 94 L CB 0.174 42.153 42.059 -0.134 0.000 0.933 94 L HN 0.128 nan 8.230 nan 0.000 0.449 95 I N -1.736 118.788 120.570 -0.076 0.000 3.081 95 I HA -0.065 4.106 4.170 0.002 0.000 0.274 95 I C 1.972 178.092 176.117 0.005 0.000 1.178 95 I CA 0.504 61.782 61.300 -0.036 0.000 1.460 95 I CB -0.205 37.771 38.000 -0.041 0.000 1.137 95 I HN 0.177 nan 8.210 nan 0.000 0.443 96 D N 1.972 122.372 120.400 -0.001 0.000 2.084 96 D HA -0.197 4.445 4.640 0.002 0.000 0.196 96 D C 2.396 178.732 176.300 0.060 0.000 0.985 96 D CA 2.113 56.130 54.000 0.030 0.000 0.826 96 D CB 0.140 40.943 40.800 0.005 0.000 0.978 96 D HN 0.121 nan 8.370 nan 0.000 0.456 97 R N 0.770 121.286 120.500 0.026 0.000 2.096 97 R HA -0.126 4.215 4.340 0.002 0.000 0.240 97 R C 0.014 176.352 176.300 0.063 0.000 1.139 97 R CA 2.159 58.279 56.100 0.032 0.000 0.952 97 R CB -2.579 27.714 30.300 -0.011 0.000 0.854 97 R HN 0.443 nan 8.270 nan 0.000 0.436 98 P HA -0.009 nan 4.420 nan 0.000 0.222 98 P C 1.419 178.798 177.300 0.132 0.000 1.153 98 P CA 1.170 64.313 63.100 0.072 0.000 0.798 98 P CB -0.143 31.589 31.700 0.053 0.000 0.796 99 I N -3.278 117.417 120.570 0.208 0.000 2.876 99 I HA 0.082 4.254 4.170 0.002 0.000 0.264 99 I C 2.462 178.891 176.117 0.521 0.000 1.204 99 I CA 0.639 62.179 61.300 0.399 0.000 1.485 99 I CB -0.452 37.765 38.000 0.361 0.000 1.103 99 I HN -0.260 nan 8.210 nan 0.000 0.446 100 R N 1.918 122.653 120.500 0.393 0.000 2.070 100 R HA -0.067 4.274 4.340 0.002 0.000 0.233 100 R C -0.433 176.096 176.300 0.382 0.000 1.137 100 R CA 2.050 58.418 56.100 0.448 0.000 0.945 100 R CB -1.174 29.292 30.300 0.276 0.000 0.845 100 R HN 0.338 nan 8.270 nan 0.000 0.430 101 P HA -0.042 nan 4.420 nan 0.000 0.229 101 P C 0.772 178.087 177.300 0.025 0.000 1.160 101 P CA 0.916 64.079 63.100 0.105 0.000 0.777 101 P CB 0.055 31.789 31.700 0.056 0.000 0.814 102 L N -2.586 118.619 121.223 -0.030 0.000 2.376 102 L HA 0.006 4.347 4.340 0.002 0.000 0.219 102 L C 0.837 177.485 176.870 -0.370 0.000 1.133 102 L CA 0.220 54.878 54.840 -0.304 0.000 0.816 102 L CB -0.672 40.986 42.059 -0.667 0.000 0.933 102 L HN -0.107 nan 8.230 nan 0.000 0.449 103 F N 1.561 121.392 119.950 -0.198 0.000 2.484 103 F HA 0.154 4.682 4.527 0.002 0.000 0.360 103 F C -1.342 174.248 175.800 -0.349 0.000 1.101 103 F CA -2.303 55.476 58.000 -0.369 0.000 1.251 103 F CB -0.286 38.360 39.000 -0.590 0.000 1.132 103 F HN -0.138 nan 8.300 nan 0.000 0.570 104 P HA -0.033 nan 4.420 nan 0.000 0.269 104 P C -0.686 176.616 177.300 0.002 0.000 1.215 104 P CA -0.366 62.680 63.100 -0.091 0.000 0.780 104 P CB 0.585 32.249 31.700 -0.061 0.000 0.898 105 E N 0.586 120.848 120.200 0.102 0.000 2.324 105 E HA 0.297 4.649 4.350 0.002 0.000 0.271 105 E C 0.874 177.636 176.600 0.271 0.000 1.028 105 E CA 0.386 56.868 56.400 0.138 0.000 0.890 105 E CB -0.541 29.228 29.700 0.116 0.000 1.004 105 E HN 0.781 nan 8.360 nan 0.000 0.431 106 G N 4.108 113.058 108.800 0.250 0.000 2.179 106 G HA2 -0.270 3.691 3.960 0.002 0.000 0.220 106 G HA3 -0.270 3.691 3.960 0.002 0.000 0.220 106 G C -0.265 174.932 174.900 0.494 0.000 0.990 106 G CA -0.154 45.157 45.100 0.352 0.000 0.646 106 G HN 0.536 nan 8.290 nan 0.000 0.517 107 F N 1.829 121.815 119.950 0.060 0.000 2.413 107 F HA 0.582 5.110 4.527 0.002 0.000 0.359 107 F C 0.973 176.730 175.800 -0.071 0.000 1.122 107 F CA -0.318 57.551 58.000 -0.218 0.000 1.160 107 F CB 1.536 40.092 39.000 -0.740 0.000 1.146 107 F HN -0.095 nan 8.300 nan 0.000 0.514 108 V N 4.694 124.414 119.914 -0.324 0.000 3.380 108 V HA 0.112 4.234 4.120 0.002 0.000 0.307 108 V C 0.169 176.087 176.094 -0.293 0.000 1.434 108 V CA -0.293 61.910 62.300 -0.162 0.000 1.075 108 V CB -0.803 30.963 31.823 -0.095 0.000 0.954 108 V HN 0.588 nan 8.190 nan 0.000 0.444 109 N N 2.250 120.548 118.700 -0.669 0.000 2.513 109 N HA 0.109 4.850 4.740 0.002 0.000 0.268 109 N C 0.099 175.492 175.510 -0.194 0.000 1.180 109 N CA 0.155 52.938 53.050 -0.444 0.000 0.948 109 N CB 0.883 39.044 38.487 -0.543 0.000 1.083 109 N HN 0.483 nan 8.380 nan 0.000 0.455 110 E N 1.418 121.532 120.200 -0.143 0.000 2.257 110 E HA 0.247 4.599 4.350 0.002 0.000 0.278 110 E C -0.800 175.750 176.600 -0.083 0.000 1.049 110 E CA -0.605 55.700 56.400 -0.158 0.000 0.876 110 E CB 0.474 30.096 29.700 -0.129 0.000 1.035 110 E HN 0.358 nan 8.360 nan 0.000 0.419 111 V N 1.638 121.459 119.914 -0.154 0.000 2.735 111 V HA 0.505 4.627 4.120 0.002 0.000 0.310 111 V C -0.765 175.254 176.094 -0.125 0.000 1.061 111 V CA -1.007 61.241 62.300 -0.087 0.000 0.913 111 V CB 1.646 33.454 31.823 -0.025 0.000 1.005 111 V HN 0.750 nan 8.190 nan 0.000 0.428 112 Q N 2.263 122.020 119.800 -0.072 0.000 2.321 112 Q HA 0.691 5.032 4.340 0.002 0.000 0.270 112 Q C -1.834 174.130 176.000 -0.060 0.000 1.032 112 Q CA -0.664 55.098 55.803 -0.069 0.000 0.784 112 Q CB 2.486 31.195 28.738 -0.048 0.000 1.264 112 Q HN 0.830 nan 8.270 nan 0.000 0.448 113 V N 5.952 125.830 119.914 -0.060 0.000 2.294 113 V HA 0.346 4.467 4.120 0.002 0.000 0.272 113 V C -0.424 175.643 176.094 -0.045 0.000 1.027 113 V CA -0.532 61.731 62.300 -0.061 0.000 0.823 113 V CB 0.763 32.552 31.823 -0.057 0.000 1.030 113 V HN 0.652 nan 8.190 nan 0.000 0.457 114 I N 4.544 125.078 120.570 -0.060 0.000 2.297 114 I HA 0.596 4.767 4.170 0.002 0.000 0.291 114 I C 0.616 176.692 176.117 -0.068 0.000 1.033 114 I CA 0.145 61.416 61.300 -0.047 0.000 1.253 114 I CB 1.383 39.360 38.000 -0.038 0.000 1.396 114 I HN 0.613 nan 8.210 nan 0.000 0.476 115 A N 4.417 127.222 122.820 -0.026 0.000 2.267 115 A HA 0.693 5.014 4.320 0.002 0.000 0.315 115 A C -0.078 177.447 177.584 -0.098 0.000 1.297 115 A CA -0.485 51.541 52.037 -0.018 0.000 0.865 115 A CB 0.811 19.882 19.000 0.119 0.000 1.165 115 A HN 0.551 nan 8.150 nan 0.000 0.513 116 T N 2.129 116.646 114.554 -0.062 0.000 2.807 116 T HA 0.501 4.852 4.350 0.002 0.000 0.279 116 T C -0.474 174.190 174.700 -0.060 0.000 0.993 116 T CA -0.321 61.722 62.100 -0.095 0.000 0.970 116 T CB 0.635 69.512 68.868 0.015 0.000 0.950 116 T HN 0.486 nan 8.240 nan 0.000 0.441 117 V N 6.726 126.535 119.914 -0.176 0.000 2.508 117 V HA 0.167 4.289 4.120 0.002 0.000 0.281 117 V C 1.255 177.302 176.094 -0.078 0.000 1.041 117 V CA -0.087 62.147 62.300 -0.110 0.000 1.016 117 V CB 1.062 32.790 31.823 -0.158 0.000 0.984 117 V HN 0.891 nan 8.190 nan 0.000 0.478 118 V N 3.588 123.514 119.914 0.021 0.000 2.403 118 V HA 0.085 4.206 4.120 0.002 0.000 0.239 118 V C 0.940 177.084 176.094 0.083 0.000 1.041 118 V CA 1.432 63.788 62.300 0.094 0.000 1.051 118 V CB 0.623 32.513 31.823 0.112 0.000 0.704 118 V HN 0.939 nan 8.190 nan 0.000 0.472 119 S N -1.210 114.521 115.700 0.051 0.000 2.599 119 S HA 0.774 5.245 4.470 0.002 0.000 0.287 119 S C -1.185 173.425 174.600 0.017 0.000 1.105 119 S CA -0.584 57.641 58.200 0.042 0.000 0.899 119 S CB 2.337 65.567 63.200 0.051 0.000 1.100 119 S HN 0.141 nan 8.310 nan 0.000 0.482 120 V N 1.301 121.222 119.914 0.012 0.000 2.808 120 V HA 0.644 4.766 4.120 0.002 0.000 0.308 120 V C -1.639 174.459 176.094 0.006 0.000 1.099 120 V CA -0.664 61.639 62.300 0.006 0.000 0.920 120 V CB 2.143 33.966 31.823 -0.000 0.000 1.014 120 V HN 1.071 nan 8.190 nan 0.000 0.425 121 N N 5.900 124.599 118.700 -0.000 0.000 2.408 121 N HA 0.598 5.339 4.740 0.002 0.000 0.280 121 N C -2.136 173.374 175.510 0.001 0.000 1.002 121 N CA -1.911 51.139 53.050 0.000 0.000 0.907 121 N CB 2.546 41.028 38.487 -0.008 0.000 1.161 121 N HN 0.334 nan 8.380 nan 0.000 0.488 122 P HA -0.097 nan 4.420 nan 0.000 0.234 122 P C 0.342 177.650 177.300 0.013 0.000 1.162 122 P CA 0.978 64.085 63.100 0.012 0.000 0.759 122 P CB 0.353 32.062 31.700 0.014 0.000 0.813 123 Q N -1.123 118.683 119.800 0.010 0.000 2.387 123 Q HA 0.091 4.432 4.340 0.002 0.000 0.208 123 Q C 0.848 176.847 176.000 -0.001 0.000 0.935 123 Q CA 0.715 56.529 55.803 0.017 0.000 0.891 123 Q CB -0.283 28.478 28.738 0.039 0.000 1.007 123 Q HN 0.189 nan 8.270 nan 0.000 0.548 124 V N 1.244 121.131 119.914 -0.044 0.000 2.465 124 V HA 0.420 4.541 4.120 0.002 0.000 0.279 124 V C 0.188 176.259 176.094 -0.039 0.000 1.045 124 V CA -1.180 61.067 62.300 -0.089 0.000 0.938 124 V CB 0.913 32.593 31.823 -0.237 0.000 0.986 124 V HN -0.004 nan 8.190 nan 0.000 0.467 125 N N 5.466 124.156 118.700 -0.017 0.000 2.444 125 N HA 0.410 5.152 4.740 0.002 0.000 0.255 125 N C -1.795 173.722 175.510 0.012 0.000 1.255 125 N CA -1.938 51.116 53.050 0.007 0.000 0.933 125 N CB 1.238 39.733 38.487 0.013 0.000 1.143 125 N HN 0.497 nan 8.380 nan 0.000 0.453 126 P HA 0.197 nan 4.420 nan 0.000 0.282 126 P C -0.163 177.177 177.300 0.066 0.000 1.327 126 P CA -0.006 63.134 63.100 0.067 0.000 0.949 126 P CB 0.749 32.523 31.700 0.124 0.000 1.445 127 D N 1.031 121.439 120.400 0.014 0.000 2.137 127 D HA -0.130 4.511 4.640 0.002 0.000 0.193 127 D C 1.959 178.246 176.300 -0.022 0.000 0.993 127 D CA 1.291 55.256 54.000 -0.059 0.000 0.846 127 D CB -0.678 40.083 40.800 -0.066 0.000 0.990 127 D HN 0.133 nan 8.370 nan 0.000 0.448 128 I N 0.826 121.400 120.570 0.006 0.000 2.700 128 I HA -0.195 3.976 4.170 0.002 0.000 0.261 128 I C 2.165 178.305 176.117 0.038 0.000 1.219 128 I CA 0.272 61.590 61.300 0.029 0.000 1.463 128 I CB 0.002 38.045 38.000 0.072 0.000 1.092 128 I HN -0.093 nan 8.210 nan 0.000 0.452 129 V N 0.802 120.741 119.914 0.041 0.000 2.453 129 V HA -0.203 3.918 4.120 0.002 0.000 0.247 129 V C 2.665 178.790 176.094 0.052 0.000 1.048 129 V CA 1.797 64.124 62.300 0.045 0.000 1.049 129 V CB -0.965 30.884 31.823 0.044 0.000 0.672 129 V HN 0.493 nan 8.190 nan 0.000 0.457 130 A N -0.513 122.350 122.820 0.070 0.000 2.014 130 A HA -0.085 4.236 4.320 0.002 0.000 0.218 130 A C 2.204 179.809 177.584 0.035 0.000 1.163 130 A CA 1.571 53.663 52.037 0.091 0.000 0.652 130 A CB -0.437 18.685 19.000 0.204 0.000 0.808 130 A HN 0.493 nan 8.150 nan 0.000 0.449 131 M N -0.737 118.869 119.600 0.010 0.000 2.319 131 M HA 0.013 4.494 4.480 0.002 0.000 0.265 131 M C 1.798 178.099 176.300 0.002 0.000 1.068 131 M CA 1.153 56.452 55.300 -0.001 0.000 1.118 131 M CB -0.367 32.229 32.600 -0.006 0.000 1.395 131 M HN 0.371 nan 8.290 nan 0.000 0.435 132 I N -0.306 120.267 120.570 0.005 0.000 2.353 132 I HA -0.133 4.038 4.170 0.002 0.000 0.248 132 I C 2.567 178.682 176.117 -0.003 0.000 1.119 132 I CA 1.174 62.474 61.300 0.000 0.000 1.417 132 I CB -0.813 37.194 38.000 0.011 0.000 1.078 132 I HN 0.333 nan 8.210 nan 0.000 0.421 133 G N 0.611 109.409 108.800 -0.004 0.000 2.421 133 G HA2 -0.216 3.745 3.960 0.002 0.000 0.216 133 G HA3 -0.216 3.745 3.960 0.002 0.000 0.216 133 G C 1.818 176.678 174.900 -0.067 0.000 1.171 133 G CA 0.734 45.816 45.100 -0.030 0.000 0.775 133 G HN 0.473 nan 8.290 nan 0.000 0.543 134 A N 0.118 122.902 122.820 -0.061 0.000 2.121 134 A HA 0.150 4.471 4.320 0.002 0.000 0.218 134 A C 2.486 179.989 177.584 -0.135 0.000 1.154 134 A CA 2.032 54.008 52.037 -0.101 0.000 0.679 134 A CB -0.359 18.603 19.000 -0.063 0.000 0.795 134 A HN 0.391 nan 8.150 nan 0.000 0.458 135 S N -1.062 114.605 115.700 -0.056 0.000 2.421 135 S HA 0.217 4.689 4.470 0.002 0.000 0.224 135 S C 2.060 176.651 174.600 -0.016 0.000 1.035 135 S CA 1.062 59.265 58.200 0.006 0.000 0.953 135 S CB -0.230 62.992 63.200 0.036 0.000 0.810 135 S HN 0.698 nan 8.310 nan 0.000 0.497 136 A N 1.157 123.951 122.820 -0.042 0.000 1.903 136 A HA 0.463 4.784 4.320 0.002 0.000 0.213 136 A C 2.353 179.896 177.584 -0.068 0.000 1.185 136 A CA 1.324 53.338 52.037 -0.038 0.000 0.628 136 A CB -1.181 17.809 19.000 -0.017 0.000 0.830 136 A HN 0.617 nan 8.150 nan 0.000 0.446 137 A N 0.003 122.759 122.820 -0.105 0.000 1.873 137 A HA -0.006 4.315 4.320 0.002 0.000 0.215 137 A C 2.106 179.588 177.584 -0.172 0.000 1.186 137 A CA 1.429 53.389 52.037 -0.127 0.000 0.616 137 A CB -0.654 18.254 19.000 -0.153 0.000 0.823 137 A HN 0.443 nan 8.150 nan 0.000 0.442 138 L N 0.636 121.690 121.223 -0.281 0.000 2.201 138 L HA -0.153 4.188 4.340 0.002 0.000 0.212 138 L C 2.843 179.526 176.870 -0.313 0.000 1.105 138 L CA 1.430 55.996 54.840 -0.457 0.000 0.775 138 L CB -0.405 41.049 42.059 -1.008 0.000 0.913 138 L HN 0.611 nan 8.230 nan 0.000 0.440 139 S N -0.684 114.937 115.700 -0.131 0.000 2.436 139 S HA -0.054 4.417 4.470 0.002 0.000 0.228 139 S C 1.727 176.303 174.600 -0.040 0.000 1.014 139 S CA 0.400 58.597 58.200 -0.004 0.000 0.950 139 S CB -0.214 63.011 63.200 0.042 0.000 0.784 139 S HN 0.235 nan 8.310 nan 0.000 0.504 140 L N 2.487 123.677 121.223 -0.056 0.000 2.509 140 L HA 0.211 4.552 4.340 0.002 0.000 0.222 140 L C 2.647 179.502 176.870 -0.025 0.000 1.123 140 L CA 0.964 55.786 54.840 -0.029 0.000 0.856 140 L CB -0.397 41.650 42.059 -0.021 0.000 0.985 140 L HN 0.545 nan 8.230 nan 0.000 0.456 141 S N -1.181 114.476 115.700 -0.073 0.000 2.383 141 S HA 0.051 4.522 4.470 0.002 0.000 0.227 141 S C 1.830 176.412 174.600 -0.030 0.000 1.026 141 S CA 0.933 59.093 58.200 -0.066 0.000 0.981 141 S CB -0.274 62.827 63.200 -0.164 0.000 0.818 141 S HN 0.466 nan 8.310 nan 0.000 0.472 142 G N 1.036 109.777 108.800 -0.099 0.000 2.254 142 G HA2 -0.203 3.759 3.960 0.002 0.000 0.225 142 G HA3 -0.203 3.759 3.960 0.002 0.000 0.225 142 G C 0.088 174.749 174.900 -0.397 0.000 1.003 142 G CA -0.118 44.960 45.100 -0.036 0.000 0.622 142 G HN 0.580 nan 8.290 nan 0.000 0.507 143 I N 4.053 124.130 120.570 -0.822 0.000 2.668 143 I HA 0.185 4.356 4.170 0.002 0.000 0.285 143 I C -1.395 174.389 176.117 -0.556 0.000 1.168 143 I CA -1.377 59.311 61.300 -1.020 0.000 1.424 143 I CB 0.462 37.947 38.000 -0.857 0.000 1.377 143 I HN -0.032 nan 8.210 nan 0.000 0.560 144 P HA -0.080 nan 4.420 nan 0.000 0.253 144 P C -0.812 176.161 177.300 -0.545 0.000 1.170 144 P CA 0.647 63.474 63.100 -0.455 0.000 0.806 144 P CB -0.194 31.177 31.700 -0.547 0.000 0.775 145 F N 4.024 123.615 119.950 -0.599 0.000 2.689 145 F HA 0.323 4.851 4.527 0.002 0.000 0.332 145 F C -0.583 174.946 175.800 -0.451 0.000 1.209 145 F CA -0.978 56.584 58.000 -0.729 0.000 1.028 145 F CB 1.177 39.710 39.000 -0.777 0.000 1.291 145 F HN 0.026 nan 8.300 nan 0.000 0.500 146 N N 3.019 121.152 118.700 -0.946 0.000 2.424 146 N HA 0.706 5.448 4.740 0.002 0.000 0.257 146 N C 0.535 175.502 175.510 -0.905 0.000 1.250 146 N CA 1.026 53.650 53.050 -0.710 0.000 0.946 146 N CB 1.422 39.619 38.487 -0.484 0.000 1.175 146 N HN 1.079 nan 8.380 nan 0.000 0.477 147 G N 0.248 108.754 108.800 -0.491 0.000 2.390 147 G HA2 -0.121 3.840 3.960 0.002 0.000 0.202 147 G HA3 -0.121 3.840 3.960 0.002 0.000 0.202 147 G C -2.831 171.945 174.900 -0.208 0.000 1.210 147 G CA -0.608 44.278 45.100 -0.357 0.000 1.271 147 G HN 0.554 nan 8.290 nan 0.000 0.543 148 P HA 0.608 nan 4.420 nan 0.000 0.278 148 P C 0.086 177.342 177.300 -0.072 0.000 1.266 148 P CA -0.548 62.512 63.100 -0.067 0.000 0.807 148 P CB 0.716 32.429 31.700 0.022 0.000 1.094 149 I N -2.194 118.371 120.570 -0.009 0.000 2.581 149 I HA 0.654 4.826 4.170 0.002 0.000 0.288 149 I C 0.500 176.597 176.117 -0.034 0.000 1.047 149 I CA -0.618 60.672 61.300 -0.017 0.000 1.374 149 I CB 0.629 38.647 38.000 0.030 0.000 1.423 149 I HN 0.266 nan 8.210 nan 0.000 0.549 150 G N 3.253 112.022 108.800 -0.052 0.000 2.400 150 G HA2 0.692 4.653 3.960 0.002 0.000 0.333 150 G HA3 0.692 4.653 3.960 0.002 0.000 0.333 150 G C -1.025 173.860 174.900 -0.026 0.000 1.143 150 G CA -0.816 44.239 45.100 -0.075 0.000 0.914 150 G HN 1.010 nan 8.290 nan 0.000 0.480 151 A N 0.429 123.235 122.820 -0.024 0.000 2.303 151 A HA 0.889 5.210 4.320 0.002 0.000 0.320 151 A C 0.045 177.701 177.584 0.119 0.000 1.192 151 A CA -0.140 51.917 52.037 0.033 0.000 0.821 151 A CB 1.186 20.201 19.000 0.025 0.000 1.188 151 A HN 1.941 nan 8.150 nan 0.000 0.492 152 A N 2.628 125.527 122.820 0.132 0.000 2.455 152 A HA 0.779 5.100 4.320 0.002 0.000 0.300 152 A C -0.457 177.207 177.584 0.132 0.000 1.040 152 A CA -0.612 51.537 52.037 0.186 0.000 0.697 152 A CB 1.218 20.315 19.000 0.162 0.000 1.265 152 A HN 0.881 nan 8.150 nan 0.000 0.407 153 R N 1.727 122.309 120.500 0.138 0.000 2.387 153 R HA 0.653 4.994 4.340 0.002 0.000 0.314 153 R C -1.603 174.785 176.300 0.147 0.000 0.958 153 R CA -0.348 55.821 56.100 0.114 0.000 0.846 153 R CB 1.534 31.891 30.300 0.094 0.000 1.147 153 R HN 0.513 nan 8.270 nan 0.000 0.447 154 V N 3.673 123.679 119.914 0.153 0.000 2.417 154 V HA 0.562 4.684 4.120 0.002 0.000 0.291 154 V C 0.645 176.841 176.094 0.169 0.000 1.024 154 V CA -0.618 61.807 62.300 0.210 0.000 0.861 154 V CB 1.539 33.503 31.823 0.234 0.000 0.985 154 V HN 0.965 nan 8.190 nan 0.000 0.436 155 G N 2.323 111.225 108.800 0.171 0.000 2.552 155 G HA2 0.598 4.559 3.960 0.002 0.000 0.324 155 G HA3 0.598 4.559 3.960 0.002 0.000 0.324 155 G C -1.880 173.141 174.900 0.203 0.000 1.217 155 G CA -0.493 44.694 45.100 0.145 0.000 0.989 155 G HN 0.564 nan 8.290 nan 0.000 0.490 156 Y N 0.063 120.357 120.300 -0.011 0.000 2.359 156 Y HA 0.536 5.088 4.550 0.002 0.000 0.336 156 Y C -1.145 174.707 175.900 -0.081 0.000 1.098 156 Y CA -0.758 57.302 58.100 -0.067 0.000 1.272 156 Y CB 0.965 39.397 38.460 -0.046 0.000 1.112 156 Y HN 0.335 nan 8.280 nan 0.000 0.481 157 I N 4.989 125.366 120.570 -0.322 0.000 2.498 157 I HA 0.358 4.530 4.170 0.002 0.000 0.290 157 I C -0.332 175.564 176.117 -0.369 0.000 1.032 157 I CA -0.734 60.415 61.300 -0.251 0.000 1.073 157 I CB 1.735 39.654 38.000 -0.134 0.000 1.251 157 I HN 0.583 nan 8.210 nan 0.000 0.426 158 N N 4.508 123.033 118.700 -0.291 0.000 2.738 158 N HA -0.205 4.536 4.740 0.002 0.000 0.249 158 N C -0.571 174.710 175.510 -0.381 0.000 1.047 158 N CA 0.979 53.872 53.050 -0.261 0.000 0.707 158 N CB -0.985 37.390 38.487 -0.187 0.000 0.937 158 N HN 0.778 nan 8.380 nan 0.000 0.545 159 D N -1.476 118.579 120.400 -0.575 0.000 2.837 159 D HA -0.220 4.422 4.640 0.002 0.000 0.230 159 D C 0.073 175.876 176.300 -0.829 0.000 1.152 159 D CA 1.529 55.128 54.000 -0.668 0.000 0.736 159 D CB -0.719 39.943 40.800 -0.230 0.000 1.084 159 D HN 0.714 nan 8.370 nan 0.000 0.429 160 Q N -0.850 118.305 119.800 -1.076 0.000 2.340 160 Q HA 0.437 4.778 4.340 0.002 0.000 0.276 160 Q C -1.377 174.128 176.000 -0.825 0.000 1.048 160 Q CA -0.712 54.591 55.803 -0.834 0.000 0.832 160 Q CB 1.218 29.689 28.738 -0.445 0.000 1.373 160 Q HN 0.122 nan 8.270 nan 0.000 0.409 161 Y N 1.106 121.124 120.300 -0.469 0.000 2.377 161 Y HA 0.500 5.051 4.550 0.002 0.000 0.330 161 Y C -0.066 175.518 175.900 -0.527 0.000 1.108 161 Y CA -0.643 57.108 58.100 -0.582 0.000 1.308 161 Y CB 0.847 38.585 38.460 -1.203 0.000 1.216 161 Y HN 0.240 nan 8.280 nan 0.000 0.518 162 V N 5.241 125.102 119.914 -0.089 0.000 2.487 162 V HA 0.212 4.334 4.120 0.002 0.000 0.298 162 V C -0.494 175.719 176.094 0.198 0.000 1.028 162 V CA -0.953 61.372 62.300 0.042 0.000 0.860 162 V CB 1.655 33.480 31.823 0.005 0.000 0.991 162 V HN 0.558 nan 8.190 nan 0.000 0.427 163 L N 5.951 127.346 121.223 0.286 0.000 2.360 163 L HA 0.459 4.801 4.340 0.002 0.000 0.276 163 L C 0.534 177.459 176.870 0.091 0.000 1.121 163 L CA 0.526 55.503 54.840 0.227 0.000 0.845 163 L CB -0.119 41.999 42.059 0.098 0.000 1.143 163 L HN 0.792 nan 8.230 nan 0.000 0.452 164 N N 3.678 122.435 118.700 0.096 0.000 2.586 164 N HA -0.145 4.596 4.740 0.002 0.000 0.282 164 N C -2.471 173.102 175.510 0.104 0.000 1.171 164 N CA 0.536 53.643 53.050 0.095 0.000 0.733 164 N CB -1.095 37.448 38.487 0.093 0.000 0.910 164 N HN 0.480 nan 8.380 nan 0.000 0.548 165 P HA 0.160 nan 4.420 nan 0.000 0.285 165 P C 0.426 177.769 177.300 0.072 0.000 1.259 165 P CA -0.191 62.955 63.100 0.075 0.000 0.794 165 P CB 0.773 32.511 31.700 0.064 0.000 0.940 166 T N -0.284 114.313 114.554 0.072 0.000 2.754 166 T HA 0.082 4.433 4.350 0.002 0.000 0.286 166 T C 1.459 176.184 174.700 0.042 0.000 0.997 166 T CA -0.454 61.682 62.100 0.061 0.000 0.982 166 T CB 0.307 69.217 68.868 0.071 0.000 1.027 166 T HN 0.281 nan 8.240 nan 0.000 0.529 167 Q N 0.357 120.177 119.800 0.034 0.000 2.170 167 Q HA -0.118 4.224 4.340 0.002 0.000 0.203 167 Q C 1.722 177.736 176.000 0.025 0.000 0.976 167 Q CA 1.580 57.399 55.803 0.027 0.000 0.858 167 Q CB -0.446 28.306 28.738 0.023 0.000 0.907 167 Q HN 0.693 nan 8.270 nan 0.000 0.433 168 D N 0.477 120.892 120.400 0.025 0.000 2.194 168 D HA -0.083 4.559 4.640 0.002 0.000 0.204 168 D C 1.518 177.829 176.300 0.018 0.000 0.964 168 D CA 0.692 54.704 54.000 0.020 0.000 0.846 168 D CB 0.078 40.889 40.800 0.019 0.000 0.962 168 D HN 0.401 nan 8.370 nan 0.000 0.490 169 E N -0.055 120.158 120.200 0.023 0.000 2.216 169 E HA 0.032 4.383 4.350 0.002 0.000 0.192 169 E C 1.979 178.592 176.600 0.022 0.000 0.988 169 E CA 0.082 56.494 56.400 0.020 0.000 0.834 169 E CB 0.157 29.872 29.700 0.026 0.000 0.772 169 E HN 0.230 nan 8.360 nan 0.000 0.479 170 L N 0.814 122.053 121.223 0.027 0.000 2.376 170 L HA -0.095 4.246 4.340 0.002 0.000 0.219 170 L C 2.019 178.902 176.870 0.022 0.000 1.133 170 L CA 0.796 55.653 54.840 0.028 0.000 0.816 170 L CB -0.023 42.054 42.059 0.029 0.000 0.933 170 L HN -0.001 nan 8.230 nan 0.000 0.449 171 K N -0.368 120.043 120.400 0.017 0.000 2.217 171 K HA -0.093 4.228 4.320 0.002 0.000 0.202 171 K C 1.486 178.092 176.600 0.010 0.000 1.051 171 K CA 0.762 57.058 56.287 0.014 0.000 0.952 171 K CB 0.169 32.676 32.500 0.012 0.000 0.736 171 K HN 0.205 nan 8.250 nan 0.000 0.453 172 E N 0.193 120.399 120.200 0.009 0.000 2.460 172 E HA 0.054 4.405 4.350 0.002 0.000 0.200 172 E C 0.296 176.901 176.600 0.009 0.000 1.011 172 E CA 0.065 56.467 56.400 0.004 0.000 0.912 172 E CB 0.714 30.411 29.700 -0.006 0.000 0.953 172 E HN -0.012 nan 8.360 nan 0.000 0.494 173 S N 0.469 116.181 115.700 0.020 0.000 2.603 173 S HA 0.079 4.550 4.470 0.002 0.000 0.268 173 S C 1.164 175.797 174.600 0.056 0.000 1.317 173 S CA -0.168 58.056 58.200 0.041 0.000 1.012 173 S CB 1.243 64.473 63.200 0.050 0.000 0.926 173 S HN -0.105 nan 8.310 nan 0.000 0.539 174 K N 1.852 122.313 120.400 0.103 0.000 2.262 174 K HA 0.334 4.655 4.320 0.002 0.000 0.200 174 K C 0.509 177.140 176.600 0.051 0.000 1.058 174 K CA 0.096 56.435 56.287 0.088 0.000 0.974 174 K CB -0.350 32.238 32.500 0.146 0.000 0.910 174 K HN 0.669 nan 8.250 nan 0.000 0.484 175 L N 1.480 122.755 121.223 0.086 0.000 2.329 175 L HA 0.571 4.913 4.340 0.002 0.000 0.279 175 L C -1.643 175.262 176.870 0.059 0.000 1.014 175 L CA -0.463 54.395 54.840 0.030 0.000 0.814 175 L CB 1.907 43.947 42.059 -0.032 0.000 1.257 175 L HN 0.032 nan 8.230 nan 0.000 0.424 176 D N 5.026 125.442 120.400 0.027 0.000 2.358 176 D HA 0.418 5.059 4.640 0.002 0.000 0.253 176 D C -1.568 174.742 176.300 0.016 0.000 1.288 176 D CA -0.247 53.773 54.000 0.032 0.000 0.950 176 D CB 1.144 41.957 40.800 0.022 0.000 1.197 176 D HN 0.459 nan 8.370 nan 0.000 0.550 177 L N 0.901 122.143 121.223 0.032 0.000 2.370 177 L HA 0.832 5.174 4.340 0.002 0.000 0.266 177 L C -1.303 175.585 176.870 0.031 0.000 1.002 177 L CA -1.057 53.792 54.840 0.015 0.000 0.818 177 L CB 1.997 44.059 42.059 0.005 0.000 1.325 177 L HN -0.042 nan 8.230 nan 0.000 0.418 178 V N 2.921 122.841 119.914 0.011 0.000 2.384 178 V HA 0.615 4.736 4.120 0.002 0.000 0.287 178 V C -0.270 175.834 176.094 0.016 0.000 1.020 178 V CA -0.583 61.728 62.300 0.020 0.000 0.850 178 V CB 1.540 33.363 31.823 -0.000 0.000 0.987 178 V HN 0.721 nan 8.190 nan 0.000 0.436 179 V N 5.200 125.138 119.914 0.040 0.000 2.459 179 V HA 0.956 5.077 4.120 0.002 0.000 0.295 179 V C 0.052 176.176 176.094 0.051 0.000 1.029 179 V CA -0.035 62.291 62.300 0.043 0.000 0.874 179 V CB 1.519 33.381 31.823 0.064 0.000 0.985 179 V HN 1.090 nan 8.190 nan 0.000 0.438 180 A N 4.498 127.344 122.820 0.044 0.000 2.435 180 A HA 1.059 5.380 4.320 0.002 0.000 0.304 180 A C -0.094 177.527 177.584 0.062 0.000 1.064 180 A CA -0.019 52.045 52.037 0.045 0.000 0.727 180 A CB 1.938 20.953 19.000 0.026 0.000 1.284 180 A HN 2.074 nan 8.150 nan 0.000 0.415 181 G N -0.601 108.240 108.800 0.068 0.000 2.355 181 G HA2 0.541 4.503 3.960 0.002 0.000 0.296 181 G HA3 0.541 4.503 3.960 0.002 0.000 0.296 181 G C -0.431 174.500 174.900 0.053 0.000 1.507 181 G CA 0.256 45.402 45.100 0.077 0.000 0.823 181 G HN 1.110 nan 8.290 nan 0.000 0.569 182 T N -1.228 113.339 114.554 0.021 0.000 2.732 182 T HA 0.239 4.590 4.350 0.002 0.000 0.287 182 T C 1.547 176.260 174.700 0.022 0.000 0.993 182 T CA 0.867 62.947 62.100 -0.032 0.000 0.966 182 T CB 1.027 69.836 68.868 -0.098 0.000 1.047 182 T HN 0.660 nan 8.240 nan 0.000 0.527 183 E N -0.027 120.142 120.200 -0.050 0.000 2.110 183 E HA -0.120 4.231 4.350 0.002 0.000 0.193 183 E C 2.033 178.652 176.600 0.031 0.000 0.988 183 E CA 1.221 57.586 56.400 -0.058 0.000 0.804 183 E CB -0.366 29.284 29.700 -0.084 0.000 0.745 183 E HN 0.670 nan 8.360 nan 0.000 0.458 184 A N 0.614 123.447 122.820 0.021 0.000 1.898 184 A HA 0.339 4.660 4.320 0.002 0.000 0.214 184 A C 1.075 178.680 177.584 0.036 0.000 1.183 184 A CA 1.125 53.172 52.037 0.018 0.000 0.622 184 A CB -0.019 18.964 19.000 -0.029 0.000 0.824 184 A HN 0.341 nan 8.150 nan 0.000 0.444 185 A N -1.887 120.954 122.820 0.035 0.000 2.594 185 A HA 0.588 4.910 4.320 0.002 0.000 0.291 185 A C -0.601 176.935 177.584 -0.079 0.000 1.105 185 A CA -0.428 51.559 52.037 -0.082 0.000 0.694 185 A CB 0.573 19.519 19.000 -0.090 0.000 1.291 185 A HN 0.452 nan 8.150 nan 0.000 0.410 186 V N 0.922 120.685 119.914 -0.251 0.000 2.881 186 V HA 0.313 4.434 4.120 0.002 0.000 0.303 186 V C 0.842 176.909 176.094 -0.045 0.000 1.070 186 V CA 0.159 62.378 62.300 -0.136 0.000 1.074 186 V CB 0.959 32.671 31.823 -0.186 0.000 1.012 186 V HN 0.832 nan 8.190 nan 0.000 0.482 187 L N 1.735 122.956 121.223 -0.005 0.000 2.678 187 L HA 0.422 4.763 4.340 0.002 0.000 0.211 187 L C 0.503 177.375 176.870 0.004 0.000 1.043 187 L CA 0.394 55.234 54.840 -0.000 0.000 0.881 187 L CB 0.492 42.553 42.059 0.003 0.000 1.361 187 L HN 0.604 nan 8.230 nan 0.000 0.484 188 M N -0.431 119.170 119.600 0.002 0.000 2.775 188 M HA 0.675 5.156 4.480 0.002 0.000 0.296 188 M C -1.945 174.341 176.300 -0.024 0.000 1.248 188 M CA -0.647 54.644 55.300 -0.016 0.000 0.800 188 M CB 2.959 35.547 32.600 -0.019 0.000 1.765 188 M HN -0.249 nan 8.290 nan 0.000 0.472 189 V N 1.702 121.585 119.914 -0.052 0.000 2.809 189 V HA 0.295 4.416 4.120 0.002 0.000 0.290 189 V C -1.760 174.281 176.094 -0.088 0.000 1.305 189 V CA -0.642 61.622 62.300 -0.060 0.000 0.939 189 V CB 1.776 33.560 31.823 -0.066 0.000 1.081 189 V HN 0.850 nan 8.190 nan 0.000 0.439 190 E N 3.252 123.410 120.200 -0.071 0.000 2.129 190 E HA 0.724 5.076 4.350 0.002 0.000 0.268 190 E C -0.303 176.256 176.600 -0.068 0.000 0.900 190 E CA -0.141 56.210 56.400 -0.083 0.000 0.755 190 E CB 1.706 31.359 29.700 -0.079 0.000 1.117 190 E HN 0.859 nan 8.360 nan 0.000 0.410 191 S N 2.995 118.646 115.700 -0.082 0.000 2.607 191 S HA 0.674 5.145 4.470 0.002 0.000 0.303 191 S C -0.450 174.109 174.600 -0.068 0.000 1.086 191 S CA -0.887 57.273 58.200 -0.067 0.000 0.995 191 S CB 1.580 64.734 63.200 -0.077 0.000 1.084 191 S HN 0.498 nan 8.310 nan 0.000 0.507 192 E N 0.440 120.608 120.200 -0.053 0.000 2.542 192 E HA 0.544 4.895 4.350 0.002 0.000 0.298 192 E C -0.833 175.740 176.600 -0.045 0.000 0.980 192 E CA -0.469 55.900 56.400 -0.053 0.000 0.792 192 E CB 0.786 30.461 29.700 -0.042 0.000 1.463 192 E HN 0.940 nan 8.360 nan 0.000 0.389 193 A N 2.846 125.631 122.820 -0.059 0.000 2.468 193 A HA 0.561 4.882 4.320 0.002 0.000 0.270 193 A C 0.372 177.919 177.584 -0.062 0.000 1.217 193 A CA -0.408 51.593 52.037 -0.061 0.000 0.908 193 A CB 1.297 20.244 19.000 -0.088 0.000 1.423 193 A HN 0.538 nan 8.150 nan 0.000 0.459 194 Q N -1.132 118.631 119.800 -0.062 0.000 1.957 194 Q HA 0.369 4.711 4.340 0.002 0.000 0.251 194 Q C 0.345 176.309 176.000 -0.061 0.000 0.973 194 Q CA 1.047 56.818 55.803 -0.054 0.000 0.862 194 Q CB -0.219 28.499 28.738 -0.035 0.000 0.962 194 Q HN 0.596 nan 8.270 nan 0.000 0.473 195 L N 0.921 122.109 121.223 -0.059 0.000 3.483 195 L HA 0.288 4.629 4.340 0.002 0.000 0.327 195 L C -0.063 176.771 176.870 -0.059 0.000 1.318 195 L CA -0.256 54.552 54.840 -0.054 0.000 0.979 195 L CB 0.684 42.718 42.059 -0.041 0.000 1.404 195 L HN 0.069 nan 8.230 nan 0.000 0.615 196 L N 0.007 121.176 121.223 -0.091 0.000 2.424 196 L HA -0.019 4.322 4.340 0.002 0.000 0.274 196 L C 1.281 178.108 176.870 -0.071 0.000 1.284 196 L CA 0.455 55.226 54.840 -0.114 0.000 0.819 196 L CB 0.117 42.046 42.059 -0.218 0.000 1.081 196 L HN 0.388 nan 8.230 nan 0.000 0.577 197 S N -0.570 115.095 115.700 -0.059 0.000 2.623 197 S HA 0.217 4.688 4.470 0.002 0.000 0.278 197 S C 0.592 175.182 174.600 -0.018 0.000 1.148 197 S CA -0.715 57.469 58.200 -0.026 0.000 1.028 197 S CB 1.001 64.196 63.200 -0.009 0.000 1.145 197 S HN 0.541 nan 8.310 nan 0.000 0.523 198 E N 0.462 120.663 120.200 0.003 0.000 2.158 198 E HA 0.005 4.357 4.350 0.002 0.000 0.191 198 E C 1.322 177.937 176.600 0.026 0.000 0.982 198 E CA 0.970 57.380 56.400 0.018 0.000 0.823 198 E CB -0.249 29.466 29.700 0.026 0.000 0.766 198 E HN 0.727 nan 8.360 nan 0.000 0.468 199 D N 0.393 120.810 120.400 0.028 0.000 2.123 199 D HA -0.146 4.495 4.640 0.002 0.000 0.200 199 D C 1.890 178.232 176.300 0.069 0.000 0.976 199 D CA 1.160 55.187 54.000 0.045 0.000 0.831 199 D CB 0.037 40.865 40.800 0.046 0.000 0.974 199 D HN 0.282 nan 8.370 nan 0.000 0.469 200 Q N -0.884 118.950 119.800 0.058 0.000 2.311 200 Q HA -0.072 4.269 4.340 0.002 0.000 0.203 200 Q C 1.959 177.997 176.000 0.064 0.000 0.954 200 Q CA 0.655 56.517 55.803 0.099 0.000 0.885 200 Q CB -0.248 28.490 28.738 0.001 0.000 0.963 200 Q HN 0.219 nan 8.270 nan 0.000 0.471 201 M N 0.823 120.422 119.600 -0.002 0.000 2.200 201 M HA 0.050 4.531 4.480 0.002 0.000 0.265 201 M C 1.779 178.084 176.300 0.008 0.000 1.066 201 M CA 1.167 56.454 55.300 -0.021 0.000 1.127 201 M CB 0.007 32.589 32.600 -0.030 0.000 1.379 201 M HN 0.356 nan 8.290 nan 0.000 0.420 202 L N -1.124 120.117 121.223 0.030 0.000 2.179 202 L HA 0.093 4.434 4.340 0.002 0.000 0.208 202 L C 2.080 178.951 176.870 0.001 0.000 1.096 202 L CA 1.254 56.113 54.840 0.031 0.000 0.779 202 L CB -0.738 41.347 42.059 0.044 0.000 0.922 202 L HN 0.415 nan 8.230 nan 0.000 0.443 203 G N -0.893 107.915 108.800 0.013 0.000 2.432 203 G HA2 -0.249 3.712 3.960 0.002 0.000 0.219 203 G HA3 -0.249 3.712 3.960 0.002 0.000 0.219 203 G C 1.573 176.238 174.900 -0.392 0.000 1.135 203 G CA 0.645 45.708 45.100 -0.062 0.000 0.767 203 G HN 0.524 nan 8.290 nan 0.000 0.550 204 A N 0.076 122.694 122.820 -0.337 0.000 1.968 204 A HA 0.199 4.520 4.320 0.002 0.000 0.217 204 A C 2.522 180.057 177.584 -0.082 0.000 1.169 204 A CA 1.471 53.298 52.037 -0.350 0.000 0.638 204 A CB -0.279 18.706 19.000 -0.025 0.000 0.812 204 A HN 0.227 nan 8.150 nan 0.000 0.446 205 V N -0.378 119.510 119.914 -0.043 0.000 2.379 205 V HA -0.183 3.939 4.120 0.002 0.000 0.245 205 V C 2.512 178.618 176.094 0.020 0.000 1.044 205 V CA 1.879 64.181 62.300 0.004 0.000 1.036 205 V CB -0.690 31.134 31.823 0.002 0.000 0.664 205 V HN 0.362 nan 8.190 nan 0.000 0.453 206 V N -0.480 119.431 119.914 -0.005 0.000 2.427 206 V HA -0.221 3.900 4.120 0.002 0.000 0.248 206 V C 2.158 178.282 176.094 0.050 0.000 1.051 206 V CA 2.123 64.435 62.300 0.020 0.000 1.048 206 V CB -0.793 31.033 31.823 0.005 0.000 0.666 206 V HN 0.546 nan 8.190 nan 0.000 0.456 207 F N 2.338 122.189 119.950 -0.164 0.000 2.069 207 F HA -0.076 4.452 4.527 0.002 0.000 0.298 207 F C 2.233 178.004 175.800 -0.048 0.000 1.113 207 F CA 1.924 59.829 58.000 -0.158 0.000 1.214 207 F CB -0.855 37.916 39.000 -0.382 0.000 0.978 207 F HN 0.144 nan 8.300 nan 0.000 0.474 208 G N -1.175 107.641 108.800 0.026 0.000 2.422 208 G HA2 -0.293 3.669 3.960 0.002 0.000 0.218 208 G HA3 -0.293 3.669 3.960 0.002 0.000 0.218 208 G C 1.776 176.661 174.900 -0.023 0.000 1.140 208 G CA 0.940 46.032 45.100 -0.013 0.000 0.775 208 G HN 0.571 nan 8.290 nan 0.000 0.545 209 H N 0.663 119.691 119.070 -0.070 0.000 2.423 209 H HA 0.063 4.621 4.556 0.002 0.000 0.297 209 H C 2.207 177.484 175.328 -0.084 0.000 1.075 209 H CA 1.423 57.435 56.048 -0.060 0.000 1.342 209 H CB 0.234 29.969 29.762 -0.045 0.000 1.395 209 H HN 0.462 nan 8.280 nan 0.000 0.530 210 E N -0.155 119.976 120.200 -0.116 0.000 2.158 210 E HA -0.106 4.245 4.350 0.002 0.000 0.191 210 E C 2.302 178.776 176.600 -0.210 0.000 0.982 210 E CA 0.301 56.601 56.400 -0.167 0.000 0.823 210 E CB 0.291 29.917 29.700 -0.122 0.000 0.766 210 E HN 0.462 nan 8.360 nan 0.000 0.468 211 Q N 0.422 120.058 119.800 -0.274 0.000 2.187 211 Q HA -0.136 4.205 4.340 0.002 0.000 0.199 211 Q C 2.028 178.057 176.000 0.049 0.000 0.957 211 Q CA 1.024 56.706 55.803 -0.201 0.000 0.857 211 Q CB -0.046 28.460 28.738 -0.386 0.000 0.929 211 Q HN 0.504 nan 8.270 nan 0.000 0.453 212 Q N -0.252 119.553 119.800 0.008 0.000 2.472 212 Q HA -0.042 4.299 4.340 0.002 0.000 0.208 212 Q C 1.442 177.374 176.000 -0.114 0.000 0.958 212 Q CA 0.394 56.212 55.803 0.026 0.000 0.932 212 Q CB 0.055 28.780 28.738 -0.022 0.000 1.007 212 Q HN 0.146 nan 8.270 nan 0.000 0.508 213 Q N 0.683 120.394 119.800 -0.147 0.000 2.291 213 Q HA -0.082 4.259 4.340 0.002 0.000 0.206 213 Q C 2.158 178.067 176.000 -0.152 0.000 0.976 213 Q CA 1.263 56.960 55.803 -0.178 0.000 0.875 213 Q CB 0.004 28.638 28.738 -0.173 0.000 0.927 213 Q HN 0.404 nan 8.270 nan 0.000 0.450 214 V N -0.012 119.845 119.914 -0.095 0.000 2.358 214 V HA -0.196 3.925 4.120 0.002 0.000 0.246 214 V C 2.452 178.334 176.094 -0.354 0.000 1.047 214 V CA 1.345 63.572 62.300 -0.121 0.000 1.035 214 V CB -0.730 31.149 31.823 0.093 0.000 0.658 214 V HN 0.083 nan 8.190 nan 0.000 0.452 215 V N 0.199 119.884 119.914 -0.381 0.000 2.343 215 V HA -0.242 3.879 4.120 0.002 0.000 0.247 215 V C 2.231 178.090 176.094 -0.393 0.000 1.051 215 V CA 2.115 64.113 62.300 -0.504 0.000 1.036 215 V CB -0.614 30.968 31.823 -0.401 0.000 0.654 215 V HN 0.442 nan 8.190 nan 0.000 0.451 216 I N -0.180 120.226 120.570 -0.274 0.000 2.226 216 I HA -0.310 3.861 4.170 0.002 0.000 0.245 216 I C 2.675 178.667 176.117 -0.210 0.000 1.100 216 I CA 1.694 62.870 61.300 -0.207 0.000 1.374 216 I CB -0.471 37.423 38.000 -0.175 0.000 1.057 216 I HN 0.337 nan 8.210 nan 0.000 0.413 217 Q N 0.366 120.028 119.800 -0.231 0.000 2.167 217 Q HA -0.131 4.211 4.340 0.002 0.000 0.202 217 Q C 1.940 177.800 176.000 -0.234 0.000 0.970 217 Q CA 1.063 56.746 55.803 -0.200 0.000 0.855 217 Q CB -0.121 28.514 28.738 -0.173 0.000 0.911 217 Q HN 0.525 nan 8.270 nan 0.000 0.438 218 N N 0.405 118.878 118.700 -0.379 0.000 2.331 218 N HA -0.043 4.699 4.740 0.002 0.000 0.180 218 N C 1.707 177.064 175.510 -0.256 0.000 1.019 218 N CA 0.864 53.662 53.050 -0.419 0.000 0.881 218 N CB 0.147 38.054 38.487 -0.966 0.000 0.972 218 N HN 0.275 nan 8.380 nan 0.000 0.435 219 I N 1.235 121.669 120.570 -0.227 0.000 2.286 219 I HA -0.161 4.010 4.170 0.002 0.000 0.245 219 I C 1.814 177.878 176.117 -0.088 0.000 1.104 219 I CA 0.640 61.868 61.300 -0.120 0.000 1.397 219 I CB -0.207 37.734 38.000 -0.098 0.000 1.072 219 I HN 0.020 nan 8.210 nan 0.000 0.417 220 N N 0.795 119.434 118.700 -0.103 0.000 2.205 220 N HA -0.173 4.568 4.740 0.002 0.000 0.186 220 N C 1.689 177.161 175.510 -0.063 0.000 1.015 220 N CA 1.159 54.162 53.050 -0.078 0.000 0.862 220 N CB -0.153 38.281 38.487 -0.087 0.000 0.986 220 N HN 0.372 nan 8.380 nan 0.000 0.429 221 E N 0.788 120.945 120.200 -0.072 0.000 2.208 221 E HA -0.038 4.313 4.350 0.002 0.000 0.193 221 E C 2.064 178.645 176.600 -0.031 0.000 0.988 221 E CA 0.108 56.478 56.400 -0.051 0.000 0.828 221 E CB -0.160 29.506 29.700 -0.057 0.000 0.763 221 E HN 0.352 nan 8.360 nan 0.000 0.478 222 L N 0.383 121.587 121.223 -0.033 0.000 2.240 222 L HA -0.086 4.255 4.340 0.002 0.000 0.211 222 L C 2.143 179.009 176.870 -0.007 0.000 1.106 222 L CA 0.383 55.216 54.840 -0.011 0.000 0.793 222 L CB 0.155 42.212 42.059 -0.004 0.000 0.927 222 L HN -0.078 nan 8.230 nan 0.000 0.446 223 V N -0.686 119.218 119.914 -0.016 0.000 2.358 223 V HA -0.258 3.863 4.120 0.002 0.000 0.246 223 V C 2.485 178.577 176.094 -0.003 0.000 1.047 223 V CA 1.696 63.990 62.300 -0.010 0.000 1.035 223 V CB -0.522 31.290 31.823 -0.018 0.000 0.658 223 V HN 0.264 nan 8.190 nan 0.000 0.452 224 K N -0.927 119.468 120.400 -0.009 0.000 2.486 224 K HA 0.006 4.327 4.320 0.002 0.000 0.194 224 K C 1.843 178.444 176.600 0.002 0.000 1.033 224 K CA 0.819 57.104 56.287 -0.004 0.000 1.004 224 K CB 0.071 32.565 32.500 -0.010 0.000 0.798 224 K HN 0.776 nan 8.250 nan 0.000 0.495 225 E N -0.962 119.240 120.200 0.003 0.000 2.206 225 E HA 0.161 4.512 4.350 0.002 0.000 0.195 225 E C 1.436 178.045 176.600 0.015 0.000 0.935 225 E CA 0.725 57.131 56.400 0.009 0.000 0.875 225 E CB 0.454 30.159 29.700 0.009 0.000 0.841 225 E HN 0.317 nan 8.360 nan 0.000 0.477 226 A N 0.319 123.148 122.820 0.016 0.000 2.548 226 A HA 0.371 4.692 4.320 0.002 0.000 0.236 226 A C 0.864 178.463 177.584 0.024 0.000 1.246 226 A CA 0.282 52.333 52.037 0.022 0.000 0.993 226 A CB 0.631 19.646 19.000 0.026 0.000 1.209 226 A HN 0.205 nan 8.150 nan 0.000 0.570 227 G N 0.806 109.617 108.800 0.019 0.000 2.441 227 G HA2 0.397 4.359 3.960 0.002 0.000 0.243 227 G HA3 0.397 4.359 3.960 0.002 0.000 0.243 227 G C -0.130 174.790 174.900 0.035 0.000 1.281 227 G CA -0.229 44.884 45.100 0.021 0.000 0.854 227 G HN 0.393 nan 8.290 nan 0.000 0.560 228 K N 2.375 122.803 120.400 0.048 0.000 2.295 228 K HA 0.203 4.525 4.320 0.002 0.000 0.270 228 K C -1.825 174.827 176.600 0.086 0.000 1.011 228 K CA -1.058 55.273 56.287 0.074 0.000 0.953 228 K CB 0.689 33.250 32.500 0.102 0.000 0.956 228 K HN 0.371 nan 8.250 nan 0.000 0.477 229 P HA -0.017 nan 4.420 nan 0.000 0.269 229 P C -0.403 176.997 177.300 0.167 0.000 1.209 229 P CA 0.003 63.165 63.100 0.104 0.000 0.776 229 P CB 0.361 32.114 31.700 0.089 0.000 0.876 230 R N 1.937 122.527 120.500 0.149 0.000 2.643 230 R HA 0.062 4.403 4.340 0.002 0.000 0.270 230 R C -0.062 176.440 176.300 0.335 0.000 1.061 230 R CA -0.177 56.041 56.100 0.197 0.000 1.107 230 R CB -0.602 29.770 30.300 0.120 0.000 0.999 230 R HN 0.521 nan 8.270 nan 0.000 0.460 231 W N 0.873 122.221 121.300 0.081 0.000 2.210 231 W HA 0.175 4.837 4.660 0.003 0.000 0.330 231 W C 0.436 177.056 176.519 0.168 0.000 1.334 231 W CA -0.167 57.257 57.345 0.131 0.000 1.227 231 W CB 0.633 30.194 29.460 0.169 0.000 1.178 231 W HN 0.764 nan 8.180 nan 0.000 0.560 232 D N 3.236 123.816 120.400 0.301 0.000 2.608 232 D HA 0.026 4.667 4.640 0.002 0.000 0.224 232 D C -0.939 175.540 176.300 0.298 0.000 1.123 232 D CA -0.187 53.947 54.000 0.223 0.000 1.030 232 D CB -0.553 40.309 40.800 0.102 0.000 1.093 232 D HN 0.271 nan 8.370 nan 0.000 0.497 233 W N 2.195 123.621 121.300 0.210 0.000 2.478 233 W HA 0.570 5.231 4.660 0.003 0.000 0.318 233 W C -0.705 175.908 176.519 0.155 0.000 1.062 233 W CA -0.491 56.993 57.345 0.232 0.000 1.210 233 W CB 0.707 30.398 29.460 0.385 0.000 1.325 233 W HN 0.173 nan 8.180 nan 0.000 0.496 234 Q N 6.847 126.233 119.800 -0.690 0.000 2.337 234 Q HA 0.540 4.881 4.340 0.002 0.000 0.270 234 Q C -2.692 172.583 176.000 -1.210 0.000 1.043 234 Q CA -1.888 53.464 55.803 -0.753 0.000 0.794 234 Q CB 1.175 29.714 28.738 -0.332 0.000 1.281 234 Q HN 0.514 nan 8.270 nan 0.000 0.446 235 P HA 0.122 nan 4.420 nan 0.000 0.272 235 P C -0.374 176.737 177.300 -0.315 0.000 1.223 235 P CA -0.271 62.418 63.100 -0.685 0.000 0.784 235 P CB 0.783 32.317 31.700 -0.278 0.000 0.923 236 E N 2.788 122.897 120.200 -0.152 0.000 2.493 236 E HA 0.035 4.386 4.350 0.002 0.000 0.255 236 E C -1.480 175.083 176.600 -0.062 0.000 0.999 236 E CA -1.393 54.958 56.400 -0.082 0.000 0.934 236 E CB -0.138 29.551 29.700 -0.018 0.000 0.940 236 E HN 0.276 nan 8.360 nan 0.000 0.473 237 P HA -0.062 nan 4.420 nan 0.000 0.262 237 P C -0.385 176.902 177.300 -0.022 0.000 1.182 237 P CA -0.068 63.005 63.100 -0.045 0.000 0.761 237 P CB 0.443 32.118 31.700 -0.042 0.000 0.795 238 V N 0.482 120.387 119.914 -0.014 0.000 2.393 238 V HA 0.073 4.194 4.120 0.002 0.000 0.257 238 V C 0.632 176.725 176.094 -0.001 0.000 1.040 238 V CA -0.660 61.640 62.300 -0.001 0.000 1.097 238 V CB -1.173 30.652 31.823 0.003 0.000 1.101 238 V HN 0.414 nan 8.190 nan 0.000 0.479 239 N N 3.868 122.569 118.700 0.002 0.000 2.402 239 N HA 0.035 4.776 4.740 0.002 0.000 0.259 239 N C 0.973 176.487 175.510 0.006 0.000 1.167 239 N CA 0.327 53.379 53.050 0.002 0.000 0.949 239 N CB 0.805 39.294 38.487 0.004 0.000 1.212 239 N HN 0.873 nan 8.380 nan 0.000 0.493 240 E N 2.959 123.161 120.200 0.004 0.000 2.347 240 E HA -0.085 4.267 4.350 0.002 0.000 0.196 240 E C 1.275 177.878 176.600 0.005 0.000 1.008 240 E CA 0.619 57.022 56.400 0.005 0.000 0.852 240 E CB 0.146 29.847 29.700 0.003 0.000 0.783 240 E HN 0.721 nan 8.360 nan 0.000 0.505 241 A N 0.704 123.527 122.820 0.005 0.000 1.898 241 A HA -0.095 4.226 4.320 0.002 0.000 0.216 241 A C 2.047 179.635 177.584 0.007 0.000 1.181 241 A CA 0.836 52.876 52.037 0.005 0.000 0.620 241 A CB -0.349 18.654 19.000 0.004 0.000 0.819 241 A HN 0.302 nan 8.150 nan 0.000 0.442 242 L N -0.590 120.639 121.223 0.009 0.000 2.270 242 L HA -0.038 4.303 4.340 0.002 0.000 0.210 242 L C 1.699 178.578 176.870 0.015 0.000 1.104 242 L CA 0.451 55.299 54.840 0.012 0.000 0.804 242 L CB -0.354 41.713 42.059 0.014 0.000 0.937 242 L HN 0.274 nan 8.230 nan 0.000 0.450 243 N N 0.290 118.999 118.700 0.014 0.000 2.520 243 N HA -0.087 4.654 4.740 0.002 0.000 0.185 243 N C 1.467 176.985 175.510 0.013 0.000 1.068 243 N CA 1.144 54.204 53.050 0.016 0.000 0.911 243 N CB 0.059 38.555 38.487 0.016 0.000 0.961 243 N HN 0.294 nan 8.380 nan 0.000 0.446 244 A N -0.498 122.328 122.820 0.011 0.000 2.229 244 A HA 0.187 4.508 4.320 0.002 0.000 0.211 244 A C 2.120 179.709 177.584 0.010 0.000 1.193 244 A CA -0.008 52.034 52.037 0.009 0.000 0.879 244 A CB 0.195 19.199 19.000 0.007 0.000 0.911 244 A HN 0.095 nan 8.150 nan 0.000 0.492 245 R N -0.355 120.152 120.500 0.011 0.000 2.080 245 R HA 0.012 4.353 4.340 0.002 0.000 0.222 245 R C 1.554 177.862 176.300 0.013 0.000 1.107 245 R CA 1.503 57.609 56.100 0.011 0.000 0.980 245 R CB -0.063 30.244 30.300 0.010 0.000 0.879 245 R HN 0.250 nan 8.270 nan 0.000 0.439 246 V N 0.702 120.625 119.914 0.016 0.000 2.488 246 V HA -0.050 4.071 4.120 0.002 0.000 0.246 246 V C 2.306 178.411 176.094 0.018 0.000 1.046 246 V CA 1.643 63.954 62.300 0.019 0.000 1.053 246 V CB -0.302 31.535 31.823 0.024 0.000 0.679 246 V HN 0.461 nan 8.190 nan 0.000 0.458 247 A N 0.262 123.092 122.820 0.016 0.000 2.015 247 A HA 0.003 4.324 4.320 0.002 0.000 0.219 247 A C 2.281 179.873 177.584 0.012 0.000 1.163 247 A CA 1.609 53.655 52.037 0.015 0.000 0.646 247 A CB -0.550 18.457 19.000 0.012 0.000 0.806 247 A HN 0.556 nan 8.150 nan 0.000 0.448 248 A N -1.422 121.404 122.820 0.011 0.000 2.209 248 A HA 0.266 4.588 4.320 0.002 0.000 0.212 248 A C 1.868 179.458 177.584 0.010 0.000 1.158 248 A CA 1.279 53.322 52.037 0.010 0.000 0.742 248 A CB -0.281 18.724 19.000 0.008 0.000 0.790 248 A HN 0.549 nan 8.150 nan 0.000 0.472 249 L N -3.254 117.976 121.223 0.012 0.000 2.766 249 L HA 0.395 4.736 4.340 0.002 0.000 0.241 249 L C 2.162 179.041 176.870 0.015 0.000 1.080 249 L CA 1.003 55.850 54.840 0.013 0.000 0.909 249 L CB 0.250 42.317 42.059 0.013 0.000 1.277 249 L HN 0.245 nan 8.230 nan 0.000 0.510 250 A N -1.049 121.781 122.820 0.018 0.000 1.984 250 A HA 0.010 4.332 4.320 0.002 0.000 0.203 250 A C 1.929 179.528 177.584 0.024 0.000 1.292 250 A CA 0.490 52.540 52.037 0.022 0.000 0.782 250 A CB -0.154 18.861 19.000 0.026 0.000 0.924 250 A HN 0.306 nan 8.150 nan 0.000 0.475 251 E N 0.382 120.595 120.200 0.020 0.000 2.153 251 E HA -0.144 4.207 4.350 0.002 0.000 0.194 251 E C 1.989 178.601 176.600 0.020 0.000 0.988 251 E CA 0.990 57.401 56.400 0.018 0.000 0.811 251 E CB -0.137 29.569 29.700 0.011 0.000 0.746 251 E HN 0.554 nan 8.360 nan 0.000 0.466 252 A N 0.958 123.788 122.820 0.017 0.000 1.898 252 A HA -0.119 4.202 4.320 0.002 0.000 0.216 252 A C 2.109 179.705 177.584 0.020 0.000 1.181 252 A CA 1.123 53.169 52.037 0.016 0.000 0.620 252 A CB -0.226 18.781 19.000 0.012 0.000 0.819 252 A HN 0.129 nan 8.150 nan 0.000 0.442 253 R N -0.895 119.617 120.500 0.021 0.000 2.127 253 R HA 0.185 4.527 4.340 0.002 0.000 0.217 253 R C 1.836 178.155 176.300 0.032 0.000 1.074 253 R CA 0.769 56.881 56.100 0.020 0.000 0.991 253 R CB -0.316 29.991 30.300 0.012 0.000 0.895 253 R HN 0.454 nan 8.270 nan 0.000 0.450 254 L N 0.241 121.495 121.223 0.051 0.000 2.291 254 L HA -0.073 4.268 4.340 0.002 0.000 0.214 254 L C 2.445 179.413 176.870 0.164 0.000 1.120 254 L CA 0.688 55.592 54.840 0.106 0.000 0.799 254 L CB -0.205 41.923 42.059 0.114 0.000 0.925 254 L HN 0.149 nan 8.230 nan 0.000 0.446 255 S N -0.348 115.406 115.700 0.090 0.000 2.387 255 S HA -0.153 4.318 4.470 0.002 0.000 0.226 255 S C 1.521 176.171 174.600 0.084 0.000 1.026 255 S CA 1.245 59.491 58.200 0.077 0.000 0.972 255 S CB -0.039 63.182 63.200 0.034 0.000 0.814 255 S HN 0.402 nan 8.310 nan 0.000 0.477 256 D N 1.012 121.447 120.400 0.058 0.000 2.289 256 D HA 0.225 4.867 4.640 0.002 0.000 0.207 256 D C 1.932 178.247 176.300 0.026 0.000 0.966 256 D CA 0.841 54.863 54.000 0.037 0.000 0.868 256 D CB -0.272 40.539 40.800 0.019 0.000 0.943 256 D HN 0.452 nan 8.370 nan 0.000 0.514 257 A N -0.169 122.664 122.820 0.021 0.000 2.014 257 A HA -0.134 4.188 4.320 0.002 0.000 0.218 257 A C 1.111 178.600 177.584 -0.158 0.000 1.163 257 A CA 0.679 52.668 52.037 -0.080 0.000 0.652 257 A CB -0.625 18.295 19.000 -0.134 0.000 0.808 257 A HN 0.217 nan 8.150 nan 0.000 0.449 258 Y N -0.522 119.756 120.300 -0.037 0.000 2.676 258 Y HA 0.241 4.792 4.550 0.002 0.000 0.331 258 Y C 1.771 177.660 175.900 -0.018 0.000 1.128 258 Y CA 0.138 58.217 58.100 -0.036 0.000 1.360 258 Y CB 0.086 38.520 38.460 -0.042 0.000 1.176 258 Y HN 0.203 nan 8.280 nan 0.000 0.518 259 R N -0.395 120.145 120.500 0.067 0.000 2.476 259 R HA 0.278 4.620 4.340 0.002 0.000 0.276 259 R C -0.190 176.122 176.300 0.020 0.000 0.941 259 R CA -0.066 56.062 56.100 0.047 0.000 1.088 259 R CB 0.592 30.914 30.300 0.037 0.000 1.216 259 R HN 0.252 nan 8.270 nan 0.000 0.533 260 I N 0.816 121.382 120.570 -0.006 0.000 2.496 260 I HA 0.004 4.176 4.170 0.002 0.000 0.285 260 I C 1.353 177.474 176.117 0.006 0.000 1.080 260 I CA 0.089 61.382 61.300 -0.011 0.000 1.404 260 I CB 1.704 39.682 38.000 -0.037 0.000 1.403 260 I HN -0.012 nan 8.210 nan 0.000 0.539 261 T N 2.314 116.877 114.554 0.015 0.000 2.770 261 T HA -0.109 4.242 4.350 0.002 0.000 0.263 261 T C 0.571 175.291 174.700 0.033 0.000 1.039 261 T CA 0.753 62.869 62.100 0.026 0.000 1.142 261 T CB -0.257 68.624 68.868 0.021 0.000 0.868 261 T HN 0.630 nan 8.240 nan 0.000 0.435 262 D N 0.925 121.341 120.400 0.026 0.000 2.389 262 D HA 0.116 4.757 4.640 0.002 0.000 0.247 262 D C 1.064 177.398 176.300 0.056 0.000 1.128 262 D CA 0.066 54.086 54.000 0.034 0.000 0.884 262 D CB 0.865 41.679 40.800 0.023 0.000 1.194 262 D HN 0.029 nan 8.370 nan 0.000 0.441 263 K N 2.113 122.559 120.400 0.077 0.000 2.062 263 K HA -0.131 4.191 4.320 0.002 0.000 0.205 263 K C 1.615 178.309 176.600 0.156 0.000 1.051 263 K CA 0.964 57.337 56.287 0.144 0.000 0.941 263 K CB 0.151 32.709 32.500 0.096 0.000 0.719 263 K HN 0.547 nan 8.250 nan 0.000 0.440 264 Q N 0.248 120.090 119.800 0.070 0.000 2.119 264 Q HA -0.159 4.183 4.340 0.002 0.000 0.201 264 Q C 1.739 177.778 176.000 0.064 0.000 0.972 264 Q CA 1.538 57.373 55.803 0.054 0.000 0.847 264 Q CB 0.108 28.858 28.738 0.020 0.000 0.903 264 Q HN 0.403 nan 8.270 nan 0.000 0.433 265 E N 0.150 120.377 120.200 0.045 0.000 2.152 265 E HA -0.129 4.222 4.350 0.002 0.000 0.192 265 E C 1.969 178.571 176.600 0.004 0.000 0.983 265 E CA 0.403 56.816 56.400 0.021 0.000 0.818 265 E CB 0.053 29.758 29.700 0.008 0.000 0.758 265 E HN 0.167 nan 8.360 nan 0.000 0.467 266 R N -0.120 120.385 120.500 0.007 0.000 2.062 266 R HA -0.089 4.252 4.340 0.002 0.000 0.226 266 R C 1.811 178.036 176.300 -0.125 0.000 1.125 266 R CA 0.999 57.043 56.100 -0.094 0.000 0.966 266 R CB -0.077 30.142 30.300 -0.136 0.000 0.861 266 R HN 0.172 nan 8.270 nan 0.000 0.433 267 Y N -0.017 120.229 120.300 -0.090 0.000 2.352 267 Y HA -0.085 4.467 4.550 0.003 0.000 0.292 267 Y C 2.248 178.119 175.900 -0.049 0.000 1.136 267 Y CA 1.256 59.316 58.100 -0.067 0.000 1.227 267 Y CB 0.028 38.467 38.460 -0.035 0.000 0.991 267 Y HN 0.254 nan 8.280 nan 0.000 0.545 268 A N -0.781 122.097 122.820 0.096 0.000 2.016 268 A HA -0.174 4.147 4.320 0.002 0.000 0.217 268 A C 2.005 179.591 177.584 0.003 0.000 1.162 268 A CA 1.459 53.524 52.037 0.046 0.000 0.662 268 A CB -0.396 18.625 19.000 0.036 0.000 0.812 268 A HN 0.394 nan 8.150 nan 0.000 0.450 269 Q N 0.172 119.953 119.800 -0.031 0.000 2.062 269 Q HA -0.088 4.253 4.340 0.002 0.000 0.196 269 Q C 1.961 177.917 176.000 -0.074 0.000 0.967 269 Q CA 2.246 58.016 55.803 -0.055 0.000 0.832 269 Q CB -0.540 28.152 28.738 -0.076 0.000 0.899 269 Q HN 0.599 nan 8.270 nan 0.000 0.442 270 V N -1.076 118.758 119.914 -0.133 0.000 2.759 270 V HA -0.111 4.010 4.120 0.002 0.000 0.256 270 V C 1.749 177.806 176.094 -0.062 0.000 1.080 270 V CA 2.113 64.330 62.300 -0.138 0.000 1.101 270 V CB -0.695 30.964 31.823 -0.272 0.000 0.698 270 V HN 0.269 nan 8.190 nan 0.000 0.477 271 D N 0.633 121.014 120.400 -0.032 0.000 2.149 271 D HA -0.101 4.540 4.640 0.002 0.000 0.201 271 D C 1.974 178.279 176.300 0.008 0.000 0.972 271 D CA 1.481 55.486 54.000 0.008 0.000 0.835 271 D CB -0.008 40.813 40.800 0.035 0.000 0.966 271 D HN 0.322 nan 8.370 nan 0.000 0.476 272 V N 0.558 120.472 119.914 -0.000 0.000 2.358 272 V HA -0.186 3.936 4.120 0.002 0.000 0.246 272 V C 2.477 178.572 176.094 0.002 0.000 1.047 272 V CA 1.269 63.570 62.300 0.002 0.000 1.035 272 V CB -0.394 31.428 31.823 -0.002 0.000 0.658 272 V HN 0.280 nan 8.190 nan 0.000 0.452 273 I N -0.429 120.138 120.570 -0.005 0.000 2.226 273 I HA -0.246 3.925 4.170 0.002 0.000 0.245 273 I C 2.507 178.631 176.117 0.011 0.000 1.100 273 I CA 1.634 62.934 61.300 0.001 0.000 1.374 273 I CB -0.470 37.527 38.000 -0.005 0.000 1.057 273 I HN 0.217 nan 8.210 nan 0.000 0.413 274 K N 0.353 120.761 120.400 0.014 0.000 2.148 274 K HA -0.074 4.248 4.320 0.002 0.000 0.204 274 K C 2.345 178.962 176.600 0.027 0.000 1.050 274 K CA 1.295 57.598 56.287 0.027 0.000 0.942 274 K CB -0.035 32.486 32.500 0.035 0.000 0.724 274 K HN 0.208 nan 8.250 nan 0.000 0.446 275 S N 1.417 117.131 115.700 0.022 0.000 2.345 275 S HA -0.155 4.317 4.470 0.002 0.000 0.219 275 S C 1.846 176.457 174.600 0.019 0.000 1.031 275 S CA 1.525 59.738 58.200 0.022 0.000 0.984 275 S CB -0.129 63.082 63.200 0.019 0.000 0.874 275 S HN 0.486 nan 8.310 nan 0.000 0.451 276 E N 0.759 120.968 120.200 0.016 0.000 2.285 276 E HA -0.056 4.296 4.350 0.002 0.000 0.194 276 E C 1.529 178.138 176.600 0.015 0.000 0.997 276 E CA 1.289 57.697 56.400 0.014 0.000 0.845 276 E CB -0.576 29.130 29.700 0.011 0.000 0.782 276 E HN 0.307 nan 8.360 nan 0.000 0.491 277 T N 1.791 116.356 114.554 0.017 0.000 2.737 277 T HA -0.036 4.316 4.350 0.002 0.000 0.265 277 T C 1.949 176.661 174.700 0.020 0.000 1.038 277 T CA 1.194 63.305 62.100 0.019 0.000 1.144 277 T CB -0.169 68.712 68.868 0.022 0.000 0.866 277 T HN 0.158 nan 8.240 nan 0.000 0.434 278 I N 1.462 122.046 120.570 0.023 0.000 2.315 278 I HA -0.110 4.062 4.170 0.002 0.000 0.248 278 I C 2.927 179.056 176.117 0.020 0.000 1.117 278 I CA 0.892 62.206 61.300 0.024 0.000 1.404 278 I CB -0.481 37.535 38.000 0.028 0.000 1.071 278 I HN 0.178 nan 8.210 nan 0.000 0.419 279 A N 0.609 123.440 122.820 0.018 0.000 1.933 279 A HA -0.188 4.133 4.320 0.002 0.000 0.218 279 A C 2.381 179.973 177.584 0.014 0.000 1.175 279 A CA 2.416 54.462 52.037 0.016 0.000 0.628 279 A CB -1.006 18.003 19.000 0.014 0.000 0.814 279 A HN 0.401 nan 8.150 nan 0.000 0.444 280 T N 0.151 114.713 114.554 0.013 0.000 2.857 280 T HA 0.016 4.368 4.350 0.002 0.000 0.266 280 T C 1.755 176.462 174.700 0.012 0.000 1.048 280 T CA 1.239 63.346 62.100 0.012 0.000 1.139 280 T CB -0.282 68.592 68.868 0.011 0.000 0.874 280 T HN 0.338 nan 8.240 nan 0.000 0.455 281 L N 0.311 121.542 121.223 0.014 0.000 2.156 281 L HA 0.080 4.421 4.340 0.002 0.000 0.208 281 L C 2.264 179.142 176.870 0.013 0.000 1.095 281 L CA 0.818 55.666 54.840 0.014 0.000 0.770 281 L CB -0.426 41.643 42.059 0.017 0.000 0.914 281 L HN 0.232 nan 8.230 nan 0.000 0.439 282 L N -0.835 120.396 121.223 0.014 0.000 2.240 282 L HA -0.083 4.259 4.340 0.002 0.000 0.211 282 L C 2.706 179.582 176.870 0.011 0.000 1.106 282 L CA 0.778 55.625 54.840 0.013 0.000 0.793 282 L CB -0.494 41.573 42.059 0.014 0.000 0.927 282 L HN 0.205 nan 8.230 nan 0.000 0.446 283 A N -0.586 122.240 122.820 0.011 0.000 2.014 283 A HA -0.116 4.206 4.320 0.002 0.000 0.218 283 A C 2.161 179.750 177.584 0.008 0.000 1.163 283 A CA 0.950 52.992 52.037 0.009 0.000 0.652 283 A CB -0.142 18.863 19.000 0.009 0.000 0.808 283 A HN 0.272 nan 8.150 nan 0.000 0.449 284 E N 0.802 121.007 120.200 0.009 0.000 2.015 284 E HA -0.066 4.286 4.350 0.002 0.000 0.191 284 E C -0.240 176.364 176.600 0.007 0.000 0.991 284 E CA 1.415 57.820 56.400 0.008 0.000 0.802 284 E CB -0.227 29.478 29.700 0.008 0.000 0.759 284 E HN 0.853 nan 8.360 nan 0.000 0.447 285 D N -1.605 118.800 120.400 0.008 0.000 2.717 285 D HA 0.144 4.785 4.640 0.002 0.000 0.223 285 D C -0.377 175.928 176.300 0.009 0.000 1.240 285 D CA -0.469 53.535 54.000 0.008 0.000 0.801 285 D CB 0.522 41.326 40.800 0.007 0.000 1.556 285 D HN -0.201 nan 8.370 nan 0.000 0.462 286 E N -0.151 120.054 120.200 0.008 0.000 2.476 286 E HA 0.023 4.374 4.350 0.002 0.000 0.191 286 E C 1.081 177.686 176.600 0.008 0.000 1.064 286 E CA 0.555 56.960 56.400 0.009 0.000 0.866 286 E CB 0.213 29.918 29.700 0.008 0.000 0.952 286 E HN 0.677 nan 8.360 nan 0.000 0.492 287 T N -1.078 113.480 114.554 0.008 0.000 2.937 287 T HA 0.011 4.362 4.350 0.002 0.000 0.260 287 T C 1.089 175.794 174.700 0.008 0.000 1.051 287 T CA -0.074 62.030 62.100 0.007 0.000 1.141 287 T CB -0.252 68.619 68.868 0.006 0.000 0.879 287 T HN 0.002 nan 8.240 nan 0.000 0.459 288 L N 2.921 124.150 121.223 0.010 0.000 2.640 288 L HA 0.072 4.414 4.340 0.002 0.000 0.280 288 L C 0.300 177.178 176.870 0.014 0.000 1.229 288 L CA -0.081 54.766 54.840 0.012 0.000 0.919 288 L CB -0.148 41.919 42.059 0.013 0.000 1.168 288 L HN 0.238 nan 8.230 nan 0.000 0.496 289 D N 3.231 123.640 120.400 0.014 0.000 2.346 289 D HA -0.023 4.619 4.640 0.002 0.000 0.260 289 D C 1.041 177.353 176.300 0.021 0.000 1.252 289 D CA 0.134 54.143 54.000 0.016 0.000 0.895 289 D CB 0.775 41.584 40.800 0.015 0.000 1.097 289 D HN 0.573 nan 8.370 nan 0.000 0.489 290 E N 3.481 123.694 120.200 0.022 0.000 2.072 290 E HA -0.387 3.964 4.350 0.002 0.000 0.218 290 E C 1.128 177.747 176.600 0.032 0.000 1.051 290 E CA 1.632 58.048 56.400 0.026 0.000 0.880 290 E CB 0.092 29.808 29.700 0.027 0.000 0.783 290 E HN 0.463 nan 8.360 nan 0.000 0.473 291 N N 0.573 119.293 118.700 0.032 0.000 2.036 291 N HA -0.266 4.476 4.740 0.002 0.000 0.199 291 N C 1.751 177.285 175.510 0.039 0.000 1.036 291 N CA 1.688 54.760 53.050 0.038 0.000 0.870 291 N CB -0.846 37.661 38.487 0.033 0.000 1.055 291 N HN 0.266 nan 8.380 nan 0.000 0.436 292 E N 1.008 121.228 120.200 0.034 0.000 2.200 292 E HA -0.192 4.159 4.350 0.002 0.000 0.211 292 E C 1.986 178.611 176.600 0.041 0.000 1.048 292 E CA 1.301 57.722 56.400 0.035 0.000 0.851 292 E CB -0.510 29.206 29.700 0.027 0.000 0.747 292 E HN 0.443 nan 8.360 nan 0.000 0.462 293 L N -1.034 120.213 121.223 0.040 0.000 2.141 293 L HA -0.036 4.306 4.340 0.002 0.000 0.209 293 L C 2.514 179.419 176.870 0.058 0.000 1.094 293 L CA 1.047 55.913 54.840 0.044 0.000 0.763 293 L CB -0.722 41.359 42.059 0.038 0.000 0.908 293 L HN 0.313 nan 8.230 nan 0.000 0.437 294 G N -0.449 108.387 108.800 0.061 0.000 2.448 294 G HA2 -0.199 3.762 3.960 0.002 0.000 0.219 294 G HA3 -0.199 3.762 3.960 0.002 0.000 0.219 294 G C 1.465 176.424 174.900 0.100 0.000 1.127 294 G CA 0.405 45.552 45.100 0.077 0.000 0.766 294 G HN 0.420 nan 8.290 nan 0.000 0.552 295 E N -0.443 119.806 120.200 0.082 0.000 2.250 295 E HA 0.124 4.475 4.350 0.002 0.000 0.192 295 E C 2.374 179.044 176.600 0.117 0.000 0.986 295 E CA -0.106 56.350 56.400 0.094 0.000 0.849 295 E CB 0.079 29.817 29.700 0.063 0.000 0.797 295 E HN 0.448 nan 8.360 nan 0.000 0.482 296 I N 0.959 121.581 120.570 0.087 0.000 2.202 296 I HA -0.254 3.917 4.170 0.002 0.000 0.242 296 I C 2.208 178.372 176.117 0.080 0.000 1.091 296 I CA 0.949 62.293 61.300 0.073 0.000 1.368 296 I CB -0.066 37.965 38.000 0.051 0.000 1.058 296 I HN 0.092 nan 8.210 nan 0.000 0.410 297 L N -0.255 121.020 121.223 0.087 0.000 2.083 297 L HA -0.264 4.077 4.340 0.002 0.000 0.209 297 L C 2.588 179.516 176.870 0.096 0.000 1.083 297 L CA 1.446 56.334 54.840 0.081 0.000 0.752 297 L CB -0.686 41.421 42.059 0.079 0.000 0.899 297 L HN 0.312 nan 8.230 nan 0.000 0.433 298 H N -0.618 118.478 119.070 0.045 0.000 2.428 298 H HA -0.038 4.520 4.556 0.002 0.000 0.296 298 H C 2.133 177.481 175.328 0.035 0.000 1.062 298 H CA 1.132 57.209 56.048 0.048 0.000 1.350 298 H CB 0.261 30.058 29.762 0.059 0.000 1.403 298 H HN 0.296 nan 8.280 nan 0.000 0.533 299 A N 0.155 123.060 122.820 0.141 0.000 1.968 299 A HA -0.040 4.281 4.320 0.002 0.000 0.217 299 A C 2.289 179.878 177.584 0.008 0.000 1.169 299 A CA 1.175 53.259 52.037 0.078 0.000 0.638 299 A CB -0.487 18.561 19.000 0.080 0.000 0.812 299 A HN 0.467 nan 8.150 nan 0.000 0.446 300 I N -0.385 120.186 120.570 0.002 0.000 2.252 300 I HA -0.223 3.948 4.170 0.002 0.000 0.245 300 I C 2.375 178.442 176.117 -0.083 0.000 1.102 300 I CA 1.365 62.651 61.300 -0.023 0.000 1.385 300 I CB -0.409 37.593 38.000 0.004 0.000 1.064 300 I HN 0.375 nan 8.210 nan 0.000 0.414 301 E N 0.802 120.938 120.200 -0.108 0.000 2.118 301 E HA -0.276 4.075 4.350 0.002 0.000 0.195 301 E C 2.114 178.513 176.600 -0.335 0.000 0.992 301 E CA 1.125 57.390 56.400 -0.226 0.000 0.804 301 E CB -0.070 29.528 29.700 -0.170 0.000 0.741 301 E HN 0.369 nan 8.360 nan 0.000 0.458 302 K N 0.718 120.987 120.400 -0.219 0.000 2.103 302 K HA -0.130 4.191 4.320 0.002 0.000 0.204 302 K C 1.957 178.480 176.600 -0.128 0.000 1.052 302 K CA 1.066 57.261 56.287 -0.154 0.000 0.945 302 K CB 0.081 32.549 32.500 -0.053 0.000 0.722 302 K HN -0.068 nan 8.250 nan 0.000 0.443 303 N N 0.079 118.716 118.700 -0.105 0.000 2.270 303 N HA -0.099 4.643 4.740 0.002 0.000 0.181 303 N C 1.478 176.925 175.510 -0.105 0.000 1.016 303 N CA 0.797 53.800 53.050 -0.078 0.000 0.870 303 N CB 0.134 38.594 38.487 -0.045 0.000 0.979 303 N HN -0.047 nan 8.380 nan 0.000 0.431 304 V N -0.324 119.494 119.914 -0.160 0.000 2.358 304 V HA -0.145 3.976 4.120 0.002 0.000 0.246 304 V C 2.206 178.179 176.094 -0.201 0.000 1.047 304 V CA 1.234 63.431 62.300 -0.172 0.000 1.035 304 V CB -0.353 31.350 31.823 -0.201 0.000 0.658 304 V HN 0.138 nan 8.190 nan 0.000 0.452 305 V N -0.134 119.600 119.914 -0.301 0.000 2.270 305 V HA -0.215 3.906 4.120 0.002 0.000 0.245 305 V C 2.530 178.552 176.094 -0.119 0.000 1.043 305 V CA 2.004 64.161 62.300 -0.239 0.000 1.014 305 V CB -0.769 30.878 31.823 -0.294 0.000 0.645 305 V HN 0.434 nan 8.190 nan 0.000 0.447 306 R N -0.086 120.353 120.500 -0.101 0.000 2.096 306 R HA -0.125 4.216 4.340 0.002 0.000 0.235 306 R C 2.647 178.921 176.300 -0.043 0.000 1.127 306 R CA 1.555 57.622 56.100 -0.055 0.000 0.968 306 R CB -0.506 29.770 30.300 -0.040 0.000 0.861 306 R HN 0.456 nan 8.270 nan 0.000 0.440 307 S N 0.322 115.992 115.700 -0.050 0.000 2.406 307 S HA -0.056 4.415 4.470 0.002 0.000 0.228 307 S C 1.847 176.427 174.600 -0.034 0.000 1.020 307 S CA 0.931 59.109 58.200 -0.037 0.000 0.965 307 S CB 0.067 63.245 63.200 -0.036 0.000 0.798 307 S HN 0.241 nan 8.310 nan 0.000 0.488 308 R N 0.070 120.546 120.500 -0.039 0.000 2.115 308 R HA 0.049 4.391 4.340 0.002 0.000 0.226 308 R C 2.110 178.395 176.300 -0.025 0.000 1.100 308 R CA 1.199 57.281 56.100 -0.029 0.000 0.980 308 R CB -0.255 30.029 30.300 -0.027 0.000 0.875 308 R HN 0.321 nan 8.270 nan 0.000 0.445 309 V N 1.157 121.054 119.914 -0.028 0.000 2.453 309 V HA -0.168 3.953 4.120 0.002 0.000 0.247 309 V C 2.153 178.229 176.094 -0.031 0.000 1.048 309 V CA 1.408 63.693 62.300 -0.024 0.000 1.049 309 V CB -0.292 31.520 31.823 -0.019 0.000 0.672 309 V HN 0.249 nan 8.190 nan 0.000 0.457 310 L N 0.255 121.460 121.223 -0.030 0.000 2.141 310 L HA -0.078 4.264 4.340 0.002 0.000 0.209 310 L C 2.636 179.483 176.870 -0.037 0.000 1.094 310 L CA 1.399 56.218 54.840 -0.034 0.000 0.763 310 L CB -0.659 41.385 42.059 -0.025 0.000 0.908 310 L HN 0.339 nan 8.230 nan 0.000 0.437 311 A N -0.641 122.161 122.820 -0.031 0.000 1.968 311 A HA 0.151 4.472 4.320 0.002 0.000 0.217 311 A C 1.876 179.442 177.584 -0.030 0.000 1.169 311 A CA 1.335 53.355 52.037 -0.028 0.000 0.638 311 A CB -0.389 18.598 19.000 -0.022 0.000 0.812 311 A HN 0.519 nan 8.150 nan 0.000 0.446 312 G N -1.274 107.507 108.800 -0.031 0.000 2.192 312 G HA2 -0.144 3.817 3.960 0.002 0.000 0.193 312 G HA3 -0.144 3.817 3.960 0.002 0.000 0.193 312 G C -0.151 174.736 174.900 -0.022 0.000 0.999 312 G CA 0.112 45.194 45.100 -0.031 0.000 0.659 312 G HN 0.546 nan 8.290 nan 0.000 0.503 313 E N 1.271 121.461 120.200 -0.018 0.000 2.390 313 E HA 0.390 4.741 4.350 0.002 0.000 0.261 313 E C -2.054 174.542 176.600 -0.007 0.000 1.076 313 E CA -1.541 54.853 56.400 -0.011 0.000 0.905 313 E CB 0.654 30.349 29.700 -0.008 0.000 0.984 313 E HN 0.145 nan 8.360 nan 0.000 0.427 314 P HA -0.037 nan 4.420 nan 0.000 0.267 314 P C -0.291 177.016 177.300 0.011 0.000 1.201 314 P CA 0.366 63.468 63.100 0.004 0.000 0.775 314 P CB 0.580 32.285 31.700 0.007 0.000 0.854 315 R N 1.308 121.818 120.500 0.016 0.000 2.896 315 R HA 0.166 4.507 4.340 0.002 0.000 0.258 315 R C 1.887 178.215 176.300 0.047 0.000 1.240 315 R CA -0.694 55.422 56.100 0.028 0.000 1.109 315 R CB -0.235 30.082 30.300 0.029 0.000 1.081 315 R HN 0.334 nan 8.270 nan 0.000 0.562 316 I N 1.423 122.034 120.570 0.069 0.000 2.076 316 I HA -0.275 3.897 4.170 0.002 0.000 0.237 316 I C 1.733 177.892 176.117 0.070 0.000 1.059 316 I CA 1.717 63.077 61.300 0.099 0.000 1.317 316 I CB -1.337 36.746 38.000 0.139 0.000 1.037 316 I HN 0.726 nan 8.210 nan 0.000 0.398 317 D N 0.955 121.391 120.400 0.061 0.000 2.338 317 D HA 0.036 4.677 4.640 0.002 0.000 0.239 317 D C 1.237 177.557 176.300 0.033 0.000 1.095 317 D CA 0.708 54.736 54.000 0.046 0.000 0.888 317 D CB -0.525 40.303 40.800 0.046 0.000 0.899 317 D HN 0.506 nan 8.370 nan 0.000 0.525 318 G N 0.843 109.663 108.800 0.032 0.000 2.324 318 G HA2 -0.298 3.664 3.960 0.002 0.000 0.292 318 G HA3 -0.298 3.664 3.960 0.002 0.000 0.292 318 G C -0.213 174.696 174.900 0.016 0.000 1.079 318 G CA -0.180 44.934 45.100 0.022 0.000 1.026 318 G HN 0.461 nan 8.290 nan 0.000 0.506 319 R N -0.290 120.220 120.500 0.017 0.000 2.686 319 R HA 0.414 4.755 4.340 0.002 0.000 0.286 319 R C 0.275 176.577 176.300 0.004 0.000 0.969 319 R CA -1.044 55.062 56.100 0.010 0.000 0.898 319 R CB 1.303 31.611 30.300 0.014 0.000 1.183 319 R HN 0.267 nan 8.270 nan 0.000 0.456 320 E N 2.485 122.682 120.200 -0.005 0.000 2.569 320 E HA -0.089 4.263 4.350 0.002 0.000 0.258 320 E C 0.953 177.546 176.600 -0.011 0.000 1.390 320 E CA 0.216 56.609 56.400 -0.011 0.000 1.049 320 E CB 0.509 30.198 29.700 -0.018 0.000 1.009 320 E HN 0.561 nan 8.360 nan 0.000 0.580 321 K N 0.613 121.002 120.400 -0.018 0.000 2.044 321 K HA -0.129 4.193 4.320 0.002 0.000 0.204 321 K C 0.919 177.509 176.600 -0.016 0.000 1.049 321 K CA 1.727 58.004 56.287 -0.017 0.000 0.945 321 K CB -0.153 32.330 32.500 -0.028 0.000 0.724 321 K HN 0.297 nan 8.250 nan 0.000 0.440 322 D N 0.318 120.704 120.400 -0.024 0.000 2.349 322 D HA 0.009 4.650 4.640 0.002 0.000 0.224 322 D C 0.599 176.874 176.300 -0.043 0.000 1.029 322 D CA 0.155 54.138 54.000 -0.027 0.000 0.879 322 D CB -0.049 40.733 40.800 -0.029 0.000 0.906 322 D HN 0.185 nan 8.370 nan 0.000 0.528 323 M N 0.756 120.332 119.600 -0.040 0.000 2.249 323 M HA 0.367 4.848 4.480 0.002 0.000 0.351 323 M C 0.087 176.363 176.300 -0.040 0.000 1.180 323 M CA -0.733 54.533 55.300 -0.057 0.000 1.127 323 M CB 1.642 34.218 32.600 -0.040 0.000 1.546 323 M HN 0.053 nan 8.290 nan 0.000 0.461 324 I N -0.611 119.922 120.570 -0.061 0.000 3.133 324 I HA 0.627 4.799 4.170 0.002 0.000 0.311 324 I C -0.440 175.681 176.117 0.007 0.000 1.072 324 I CA -1.259 60.033 61.300 -0.013 0.000 1.015 324 I CB 1.578 39.580 38.000 0.002 0.000 1.233 324 I HN 0.587 nan 8.210 nan 0.000 0.473 325 R N 0.864 121.385 120.500 0.035 0.000 2.649 325 R HA 0.453 4.795 4.340 0.002 0.000 0.270 325 R C 0.268 176.594 176.300 0.042 0.000 1.105 325 R CA -0.152 55.969 56.100 0.034 0.000 1.193 325 R CB 0.536 30.856 30.300 0.034 0.000 1.120 325 R HN 0.929 nan 8.270 nan 0.000 0.561 326 G N 0.716 109.531 108.800 0.025 0.000 2.544 326 G HA2 0.324 4.285 3.960 0.002 0.000 0.242 326 G HA3 0.324 4.285 3.960 0.002 0.000 0.242 326 G C -0.575 174.310 174.900 -0.026 0.000 1.247 326 G CA -0.479 44.633 45.100 0.019 0.000 0.840 326 G HN 0.260 nan 8.290 nan 0.000 0.578 327 L N 0.874 122.074 121.223 -0.038 0.000 2.362 327 L HA 0.455 4.797 4.340 0.002 0.000 0.271 327 L C -0.945 175.835 176.870 -0.149 0.000 1.002 327 L CA -0.932 53.825 54.840 -0.139 0.000 0.818 327 L CB 2.411 44.423 42.059 -0.077 0.000 1.298 327 L HN 0.415 nan 8.230 nan 0.000 0.420 328 D N 2.071 122.321 120.400 -0.250 0.000 2.620 328 D HA 0.424 5.065 4.640 0.002 0.000 0.252 328 D C -1.363 174.840 176.300 -0.162 0.000 1.207 328 D CA -0.221 53.683 54.000 -0.160 0.000 0.884 328 D CB 2.162 42.888 40.800 -0.123 0.000 1.262 328 D HN 0.070 nan 8.370 nan 0.000 0.552 329 V N 5.368 125.256 119.914 -0.045 0.000 2.384 329 V HA 0.537 4.659 4.120 0.002 0.000 0.287 329 V C 0.181 176.304 176.094 0.048 0.000 1.020 329 V CA -0.619 61.714 62.300 0.056 0.000 0.850 329 V CB 1.386 33.278 31.823 0.115 0.000 0.987 329 V HN 0.392 nan 8.190 nan 0.000 0.436 330 R N 2.731 123.271 120.500 0.067 0.000 2.451 330 R HA 0.578 4.919 4.340 0.002 0.000 0.307 330 R C -0.823 175.513 176.300 0.059 0.000 0.965 330 R CA -0.501 55.627 56.100 0.048 0.000 0.865 330 R CB 2.163 32.482 30.300 0.031 0.000 1.174 330 R HN 0.650 nan 8.270 nan 0.000 0.455 331 T N 0.865 115.447 114.554 0.046 0.000 2.795 331 T HA 0.435 4.786 4.350 0.002 0.000 0.282 331 T C 0.635 175.352 174.700 0.029 0.000 0.980 331 T CA -0.154 61.972 62.100 0.042 0.000 1.012 331 T CB 1.634 70.524 68.868 0.038 0.000 0.936 331 T HN 0.833 nan 8.240 nan 0.000 0.457 332 G N 1.744 110.561 108.800 0.027 0.000 2.401 332 G HA2 -0.195 3.766 3.960 0.002 0.000 0.283 332 G HA3 -0.195 3.766 3.960 0.002 0.000 0.283 332 G C 0.727 175.635 174.900 0.014 0.000 1.117 332 G CA 0.138 45.249 45.100 0.018 0.000 1.051 332 G HN 0.743 nan 8.290 nan 0.000 0.510 333 V N 0.193 120.117 119.914 0.017 0.000 2.535 333 V HA 0.343 4.465 4.120 0.002 0.000 0.246 333 V C 1.536 177.632 176.094 0.003 0.000 1.045 333 V CA 1.666 63.973 62.300 0.012 0.000 1.058 333 V CB -0.111 31.723 31.823 0.019 0.000 0.689 333 V HN 0.490 nan 8.190 nan 0.000 0.461 334 L N 1.095 122.319 121.223 0.001 0.000 2.357 334 L HA 0.366 4.707 4.340 0.002 0.000 0.273 334 L C -1.073 175.788 176.870 -0.015 0.000 1.080 334 L CA -1.333 53.502 54.840 -0.009 0.000 0.803 334 L CB 1.142 43.194 42.059 -0.011 0.000 1.174 334 L HN 0.133 nan 8.230 nan 0.000 0.443 335 P HA 0.032 nan 4.420 nan 0.000 0.216 335 P C 0.546 177.822 177.300 -0.041 0.000 1.151 335 P CA 0.736 63.820 63.100 -0.026 0.000 0.863 335 P CB 0.372 32.058 31.700 -0.024 0.000 0.790 336 R N -0.036 120.433 120.500 -0.051 0.000 3.863 336 R HA 0.369 4.711 4.340 0.002 0.000 0.304 336 R C -0.011 176.221 176.300 -0.113 0.000 1.485 336 R CA 0.081 56.134 56.100 -0.077 0.000 1.355 336 R CB -0.033 30.228 30.300 -0.065 0.000 1.457 336 R HN 0.144 nan 8.270 nan 0.000 0.669 337 T N -2.230 112.254 114.554 -0.116 0.000 2.887 337 T HA 0.222 4.573 4.350 0.002 0.000 0.292 337 T C 0.818 175.418 174.700 -0.166 0.000 1.087 337 T CA -0.560 61.451 62.100 -0.148 0.000 1.009 337 T CB 1.298 70.134 68.868 -0.053 0.000 1.203 337 T HN 0.381 nan 8.240 nan 0.000 0.518 338 H N 0.827 119.894 119.070 -0.006 0.000 2.307 338 H HA 0.337 4.892 4.556 -0.001 0.000 0.303 338 H C 1.194 176.520 175.328 -0.003 0.000 1.073 338 H CA 1.246 57.291 56.048 -0.004 0.000 1.338 338 H CB 0.129 29.890 29.762 -0.001 0.000 1.389 338 H HN 0.610 nan 8.280 nan 0.000 0.503 339 G N -0.820 108.054 108.800 0.123 0.000 2.682 339 G HA2 0.502 4.463 3.960 0.002 0.000 0.300 339 G HA3 0.502 4.463 3.960 0.002 0.000 0.300 339 G C -1.267 173.657 174.900 0.040 0.000 1.391 339 G CA -0.396 44.743 45.100 0.065 0.000 0.990 339 G HN 0.334 nan 8.290 nan 0.000 0.501 340 S N -0.572 115.147 115.700 0.031 0.000 2.541 340 S HA 0.913 5.385 4.470 0.002 0.000 0.271 340 S C -0.596 174.027 174.600 0.038 0.000 1.133 340 S CA -0.378 57.839 58.200 0.028 0.000 0.876 340 S CB 2.046 65.257 63.200 0.018 0.000 1.105 340 S HN 2.148 nan 8.310 nan 0.000 0.470 341 A N 1.160 124.010 122.820 0.049 0.000 2.520 341 A HA 0.806 5.127 4.320 0.002 0.000 0.298 341 A C -1.682 175.958 177.584 0.093 0.000 1.051 341 A CA -0.680 51.402 52.037 0.074 0.000 0.690 341 A CB 1.697 20.748 19.000 0.086 0.000 1.281 341 A HN 1.410 nan 8.150 nan 0.000 0.402 342 L N 2.169 123.457 121.223 0.107 0.000 2.417 342 L HA 0.665 5.006 4.340 0.002 0.000 0.259 342 L C -1.594 175.367 176.870 0.152 0.000 1.023 342 L CA -0.333 54.572 54.840 0.108 0.000 0.901 342 L CB 0.414 42.508 42.059 0.057 0.000 1.227 342 L HN 0.598 nan 8.230 nan 0.000 0.454 343 F N 3.467 123.442 119.950 0.040 0.000 2.410 343 F HA 0.723 5.251 4.527 0.001 0.000 0.349 343 F C -0.161 175.667 175.800 0.045 0.000 1.117 343 F CA 0.032 58.059 58.000 0.044 0.000 1.104 343 F CB 1.302 40.336 39.000 0.057 0.000 1.122 343 F HN 0.451 nan 8.300 nan 0.000 0.483 344 T N 6.698 120.907 114.554 -0.575 0.000 2.848 344 T HA 0.403 4.754 4.350 0.002 0.000 0.285 344 T C -0.910 173.465 174.700 -0.541 0.000 0.995 344 T CA -0.730 61.142 62.100 -0.380 0.000 0.970 344 T CB 1.444 70.201 68.868 -0.186 0.000 0.976 344 T HN 0.634 nan 8.240 nan 0.000 0.441 345 R N 2.040 122.372 120.500 -0.280 0.000 2.412 345 R HA 0.535 4.877 4.340 0.002 0.000 0.304 345 R C 1.063 177.337 176.300 -0.043 0.000 1.066 345 R CA 0.451 56.458 56.100 -0.155 0.000 0.923 345 R CB -0.018 30.276 30.300 -0.010 0.000 1.156 345 R HN 0.958 nan 8.270 nan 0.000 0.513 346 G N 4.022 112.796 108.800 -0.043 0.000 3.274 346 G HA2 -0.434 3.527 3.960 0.002 0.000 0.313 346 G HA3 -0.434 3.527 3.960 0.002 0.000 0.313 346 G C 0.274 175.170 174.900 -0.006 0.000 1.295 346 G CA 0.694 45.789 45.100 -0.008 0.000 1.004 346 G HN 0.697 nan 8.290 nan 0.000 0.614 347 E N -0.298 119.910 120.200 0.012 0.000 2.812 347 E HA 0.481 4.832 4.350 0.002 0.000 0.211 347 E C 0.164 176.777 176.600 0.022 0.000 0.986 347 E CA 0.523 56.931 56.400 0.014 0.000 1.119 347 E CB 0.810 30.524 29.700 0.023 0.000 1.046 347 E HN 0.575 nan 8.360 nan 0.000 0.474 348 T N -0.139 114.432 114.554 0.027 0.000 2.881 348 T HA 0.600 4.952 4.350 0.002 0.000 0.290 348 T C -1.245 173.485 174.700 0.049 0.000 1.000 348 T CA 0.219 62.348 62.100 0.048 0.000 0.978 348 T CB 1.643 70.561 68.868 0.082 0.000 0.997 348 T HN 0.352 nan 8.240 nan 0.000 0.443 349 Q N 1.386 121.221 119.800 0.058 0.000 2.418 349 Q HA 0.858 5.199 4.340 0.002 0.000 0.282 349 Q C -1.304 174.756 176.000 0.099 0.000 1.044 349 Q CA -0.630 55.216 55.803 0.072 0.000 0.813 349 Q CB 1.848 30.602 28.738 0.027 0.000 1.428 349 Q HN 1.494 nan 8.270 nan 0.000 0.402 350 A N 1.080 123.989 122.820 0.149 0.000 2.353 350 A HA 0.706 5.027 4.320 0.002 0.000 0.299 350 A C -1.034 176.624 177.584 0.123 0.000 1.089 350 A CA -0.537 51.580 52.037 0.134 0.000 0.736 350 A CB 1.190 20.302 19.000 0.187 0.000 1.195 350 A HN 1.543 nan 8.150 nan 0.000 0.447 351 L N 4.150 125.419 121.223 0.076 0.000 2.385 351 L HA 0.479 4.821 4.340 0.002 0.000 0.285 351 L C -0.776 176.126 176.870 0.053 0.000 1.125 351 L CA 0.238 55.115 54.840 0.063 0.000 0.890 351 L CB 0.452 42.538 42.059 0.044 0.000 1.251 351 L HN 0.411 nan 8.230 nan 0.000 0.445 352 V N 3.763 123.716 119.914 0.065 0.000 2.398 352 V HA 0.626 4.748 4.120 0.002 0.000 0.286 352 V C 0.320 176.422 176.094 0.012 0.000 1.026 352 V CA -0.362 61.961 62.300 0.039 0.000 0.868 352 V CB 1.528 33.396 31.823 0.075 0.000 0.982 352 V HN 0.820 nan 8.190 nan 0.000 0.443 353 T N 1.693 116.232 114.554 -0.026 0.000 2.887 353 T HA 0.890 5.241 4.350 0.002 0.000 0.288 353 T C -0.419 174.253 174.700 -0.046 0.000 1.021 353 T CA -0.669 61.420 62.100 -0.019 0.000 1.000 353 T CB 2.130 70.993 68.868 -0.010 0.000 1.034 353 T HN 0.992 nan 8.240 nan 0.000 0.467 354 A N 1.761 124.579 122.820 -0.005 0.000 2.350 354 A HA 0.842 5.163 4.320 0.002 0.000 0.324 354 A C -0.132 177.489 177.584 0.060 0.000 1.118 354 A CA -0.847 51.189 52.037 -0.002 0.000 0.783 354 A CB 1.302 20.314 19.000 0.020 0.000 1.236 354 A HN 0.930 nan 8.150 nan 0.000 0.457 355 T N 1.934 116.510 114.554 0.036 0.000 2.893 355 T HA 0.616 4.968 4.350 0.002 0.000 0.293 355 T C -0.628 174.040 174.700 -0.052 0.000 1.027 355 T CA -0.298 61.854 62.100 0.086 0.000 0.988 355 T CB 1.075 69.998 68.868 0.093 0.000 1.043 355 T HN 0.489 nan 8.240 nan 0.000 0.461 356 L N 1.550 122.590 121.223 -0.305 0.000 2.342 356 L HA 0.919 5.260 4.340 0.002 0.000 0.271 356 L C 0.622 177.379 176.870 -0.189 0.000 1.008 356 L CA -0.582 54.084 54.840 -0.290 0.000 0.818 356 L CB 2.032 43.809 42.059 -0.469 0.000 1.296 356 L HN 0.919 nan 8.230 nan 0.000 0.427 357 G N 0.107 108.883 108.800 -0.041 0.000 2.619 357 G HA2 0.525 4.487 3.960 0.002 0.000 0.305 357 G HA3 0.525 4.487 3.960 0.002 0.000 0.305 357 G C -1.252 173.713 174.900 0.108 0.000 1.330 357 G CA -0.417 44.698 45.100 0.026 0.000 0.789 357 G HN 0.393 nan 8.290 nan 0.000 0.487 358 T N 0.322 114.924 114.554 0.081 0.000 2.874 358 T HA 0.489 4.841 4.350 0.002 0.000 0.281 358 T C 1.716 176.429 174.700 0.022 0.000 0.994 358 T CA 0.417 62.555 62.100 0.062 0.000 1.015 358 T CB 1.546 70.436 68.868 0.038 0.000 1.028 358 T HN 1.083 nan 8.240 nan 0.000 0.523 359 A N 0.542 123.346 122.820 -0.025 0.000 2.178 359 A HA 0.091 4.413 4.320 0.002 0.000 0.218 359 A C 2.506 180.086 177.584 -0.006 0.000 1.157 359 A CA 1.483 53.503 52.037 -0.029 0.000 0.689 359 A CB -0.951 18.009 19.000 -0.066 0.000 0.787 359 A HN 0.871 nan 8.150 nan 0.000 0.465 360 R N -0.009 120.491 120.500 0.000 0.000 2.189 360 R HA -0.040 4.302 4.340 0.002 0.000 0.218 360 R C 1.123 177.433 176.300 0.017 0.000 1.074 360 R CA 1.432 57.536 56.100 0.007 0.000 0.991 360 R CB -0.919 29.385 30.300 0.007 0.000 0.883 360 R HN 0.501 nan 8.270 nan 0.000 0.457 361 D N 0.255 120.668 120.400 0.022 0.000 2.319 361 D HA 0.258 4.899 4.640 0.002 0.000 0.230 361 D C 0.127 176.447 176.300 0.033 0.000 1.094 361 D CA 0.507 54.524 54.000 0.029 0.000 0.856 361 D CB 0.224 41.044 40.800 0.033 0.000 0.915 361 D HN 0.614 nan 8.370 nan 0.000 0.517 362 A N 0.632 123.470 122.820 0.031 0.000 2.425 362 A HA 0.123 4.445 4.320 0.002 0.000 0.249 362 A C 0.521 178.128 177.584 0.039 0.000 1.084 362 A CA -0.304 51.755 52.037 0.036 0.000 0.781 362 A CB 0.296 19.316 19.000 0.032 0.000 1.019 362 A HN 0.114 nan 8.150 nan 0.000 0.490 363 Q N 2.156 121.983 119.800 0.046 0.000 2.286 363 Q HA 0.333 4.675 4.340 0.002 0.000 0.265 363 Q C -0.999 175.028 176.000 0.045 0.000 1.080 363 Q CA -0.250 55.583 55.803 0.050 0.000 0.906 363 Q CB 0.344 29.119 28.738 0.061 0.000 1.227 363 Q HN 0.523 nan 8.270 nan 0.000 0.409 364 V N 7.134 127.072 119.914 0.041 0.000 2.352 364 V HA 0.111 4.233 4.120 0.002 0.000 0.253 364 V C 0.171 176.289 176.094 0.040 0.000 1.083 364 V CA -0.140 62.182 62.300 0.037 0.000 0.993 364 V CB -0.004 31.838 31.823 0.032 0.000 1.111 364 V HN 0.710 nan 8.190 nan 0.000 0.490 365 L N 4.199 125.446 121.223 0.041 0.000 2.281 365 L HA 0.360 4.702 4.340 0.002 0.000 0.285 365 L C 0.439 177.331 176.870 0.037 0.000 1.074 365 L CA -0.173 54.692 54.840 0.042 0.000 0.817 365 L CB 0.785 42.871 42.059 0.045 0.000 1.168 365 L HN 0.485 nan 8.230 nan 0.000 0.434 366 D N 3.891 124.313 120.400 0.037 0.000 2.639 366 D HA 0.123 4.764 4.640 0.002 0.000 0.233 366 D C 0.156 176.474 176.300 0.030 0.000 1.161 366 D CA -0.212 53.807 54.000 0.032 0.000 1.003 366 D CB 0.265 41.084 40.800 0.033 0.000 1.034 366 D HN 0.436 nan 8.370 nan 0.000 0.514 367 E N 0.701 120.919 120.200 0.030 0.000 2.371 367 E HA 0.024 4.375 4.350 0.002 0.000 0.257 367 E C 0.988 177.601 176.600 0.021 0.000 1.134 367 E CA -0.724 55.694 56.400 0.030 0.000 0.919 367 E CB 1.318 31.038 29.700 0.033 0.000 1.025 367 E HN 0.188 nan 8.360 nan 0.000 0.438 368 L N 1.791 123.025 121.223 0.019 0.000 2.109 368 L HA -0.104 4.237 4.340 0.002 0.000 0.207 368 L C 1.801 178.676 176.870 0.010 0.000 1.086 368 L CA 1.784 56.627 54.840 0.005 0.000 0.760 368 L CB -0.330 41.726 42.059 -0.006 0.000 0.910 368 L HN 0.687 nan 8.230 nan 0.000 0.437 369 M N -1.358 118.253 119.600 0.018 0.000 2.288 369 M HA 0.191 4.672 4.480 0.002 0.000 0.266 369 M C 0.809 177.119 176.300 0.017 0.000 1.072 369 M CA 0.924 56.234 55.300 0.018 0.000 1.132 369 M CB -0.225 32.387 32.600 0.021 0.000 1.386 369 M HN 0.371 nan 8.290 nan 0.000 0.432 370 G N 0.215 109.026 108.800 0.019 0.000 2.442 370 G HA2 0.158 4.119 3.960 0.002 0.000 0.296 370 G HA3 0.158 4.119 3.960 0.002 0.000 0.296 370 G C -1.867 173.046 174.900 0.022 0.000 1.564 370 G CA -0.813 44.298 45.100 0.019 0.000 0.828 370 G HN 0.148 nan 8.290 nan 0.000 0.571 371 E N 0.324 120.536 120.200 0.021 0.000 2.223 371 E HA 0.501 4.853 4.350 0.002 0.000 0.282 371 E C 0.484 177.098 176.600 0.024 0.000 1.046 371 E CA -0.459 55.955 56.400 0.023 0.000 0.857 371 E CB 0.488 30.201 29.700 0.021 0.000 1.055 371 E HN 0.614 nan 8.360 nan 0.000 0.409 372 R N 1.273 121.790 120.500 0.028 0.000 2.795 372 R HA 0.498 4.839 4.340 0.002 0.000 0.275 372 R C -1.176 175.144 176.300 0.033 0.000 0.981 372 R CA -0.900 55.217 56.100 0.029 0.000 0.917 372 R CB 1.384 31.702 30.300 0.031 0.000 1.202 372 R HN 0.348 nan 8.270 nan 0.000 0.469 373 T N -1.006 113.568 114.554 0.033 0.000 2.794 373 T HA 0.259 4.610 4.350 0.002 0.000 0.280 373 T C -0.673 174.055 174.700 0.047 0.000 0.987 373 T CA -0.830 61.292 62.100 0.037 0.000 0.993 373 T CB 1.430 70.316 68.868 0.030 0.000 0.939 373 T HN 0.555 nan 8.240 nan 0.000 0.449 374 D N 1.841 122.274 120.400 0.055 0.000 2.274 374 D HA 0.370 5.011 4.640 0.002 0.000 0.239 374 D C 0.963 177.312 176.300 0.081 0.000 1.104 374 D CA -0.403 53.641 54.000 0.073 0.000 0.840 374 D CB 1.633 42.476 40.800 0.072 0.000 1.100 374 D HN 0.583 nan 8.370 nan 0.000 0.477 375 T N 2.895 117.516 114.554 0.111 0.000 2.901 375 T HA 0.023 4.375 4.350 0.002 0.000 0.252 375 T C 0.692 175.499 174.700 0.178 0.000 1.035 375 T CA 0.227 62.405 62.100 0.129 0.000 1.142 375 T CB -0.154 68.796 68.868 0.136 0.000 0.869 375 T HN 0.377 nan 8.240 nan 0.000 0.442 376 F N 2.413 122.401 119.950 0.063 0.000 2.420 376 F HA 0.538 5.065 4.527 0.000 0.000 0.352 376 F C -0.812 175.018 175.800 0.049 0.000 1.108 376 F CA -1.371 56.671 58.000 0.069 0.000 1.162 376 F CB 0.243 39.290 39.000 0.079 0.000 1.118 376 F HN -0.023 nan 8.300 nan 0.000 0.510 377 L N 7.286 128.149 121.223 -0.600 0.000 2.346 377 L HA 0.477 4.818 4.340 0.002 0.000 0.276 377 L C -1.268 175.132 176.870 -0.784 0.000 1.006 377 L CA -0.717 53.808 54.840 -0.526 0.000 0.817 377 L CB 1.915 43.788 42.059 -0.309 0.000 1.272 377 L HN 0.595 nan 8.230 nan 0.000 0.421 378 F N 1.363 120.882 119.950 -0.717 0.000 2.547 378 F HA 0.492 5.022 4.527 0.005 0.000 0.316 378 F C -0.548 174.953 175.800 -0.499 0.000 1.121 378 F CA -0.352 57.348 58.000 -0.501 0.000 0.911 378 F CB 1.486 40.371 39.000 -0.191 0.000 1.179 378 F HN 0.447 nan 8.300 nan 0.000 0.443 379 H N 3.920 123.053 119.070 0.105 0.000 2.589 379 H HA 0.309 4.865 4.556 0.001 0.000 0.351 379 H C -1.832 173.667 175.328 0.286 0.000 1.074 379 H CA -0.816 55.339 56.048 0.179 0.000 1.203 379 H CB 2.042 31.828 29.762 0.040 0.000 1.558 379 H HN 0.577 nan 8.280 nan 0.000 0.522 380 Y N 3.132 123.625 120.300 0.321 0.000 2.328 380 Y HA 0.360 4.911 4.550 0.002 0.000 0.333 380 Y C -1.203 174.820 175.900 0.204 0.000 0.958 380 Y CA -0.793 57.469 58.100 0.270 0.000 1.167 380 Y CB 0.836 39.463 38.460 0.278 0.000 1.151 380 Y HN 0.630 nan 8.280 nan 0.000 0.470 381 N N 6.584 125.136 118.700 -0.248 0.000 2.392 381 N HA 0.240 4.981 4.740 0.002 0.000 0.283 381 N C -1.880 173.415 175.510 -0.359 0.000 1.003 381 N CA -0.400 52.532 53.050 -0.197 0.000 0.892 381 N CB 1.744 40.167 38.487 -0.105 0.000 1.193 381 N HN 0.654 nan 8.380 nan 0.000 0.487 382 F N 4.440 124.192 119.950 -0.331 0.000 2.451 382 F HA 0.384 4.913 4.527 0.002 0.000 0.367 382 F C -2.108 173.562 175.800 -0.217 0.000 1.100 382 F CA -1.803 56.026 58.000 -0.285 0.000 1.171 382 F CB 0.930 39.872 39.000 -0.097 0.000 1.405 382 F HN 0.289 nan 8.300 nan 0.000 0.482 383 P HA 0.260 nan 4.420 nan 0.000 0.276 383 P C -2.390 174.544 177.300 -0.609 0.000 1.244 383 P CA -1.461 61.327 63.100 -0.520 0.000 0.801 383 P CB 0.848 32.099 31.700 -0.749 0.000 1.006 384 P HA -0.125 nan 4.420 nan 0.000 0.223 384 P C 1.275 178.465 177.300 -0.184 0.000 1.151 384 P CA 1.288 64.278 63.100 -0.184 0.000 0.787 384 P CB -0.405 31.270 31.700 -0.042 0.000 0.788 385 Y N -0.163 120.042 120.300 -0.158 0.000 2.583 385 Y HA 0.069 4.620 4.550 0.002 0.000 0.293 385 Y C 2.180 177.977 175.900 -0.173 0.000 1.157 385 Y CA 0.553 58.571 58.100 -0.137 0.000 1.315 385 Y CB -1.448 36.947 38.460 -0.108 0.000 1.021 385 Y HN -0.047 nan 8.280 nan 0.000 0.536 386 S N 0.695 116.097 115.700 -0.497 0.000 2.357 386 S HA -0.174 4.297 4.470 0.002 0.000 0.221 386 S C 1.797 176.254 174.600 -0.238 0.000 1.031 386 S CA 1.166 59.109 58.200 -0.427 0.000 0.982 386 S CB -1.154 61.575 63.200 -0.784 0.000 0.853 386 S HN 0.450 nan 8.310 nan 0.000 0.458 387 V N -1.593 118.184 119.914 -0.229 0.000 2.951 387 V HA 0.536 4.657 4.120 0.002 0.000 0.255 387 V C 1.563 177.591 176.094 -0.109 0.000 1.088 387 V CA 0.303 62.535 62.300 -0.112 0.000 1.109 387 V CB -1.344 30.463 31.823 -0.026 0.000 0.724 387 V HN 1.025 nan 8.190 nan 0.000 0.471 388 G N 0.971 109.723 108.800 -0.080 0.000 2.309 388 G HA2 -0.110 3.851 3.960 0.002 0.000 0.183 388 G HA3 -0.110 3.851 3.960 0.002 0.000 0.183 388 G C -0.236 174.645 174.900 -0.031 0.000 1.063 388 G CA 0.204 45.277 45.100 -0.044 0.000 0.768 388 G HN 1.040 nan 8.290 nan 0.000 0.490 389 E N -1.441 118.747 120.200 -0.021 0.000 2.421 389 E HA 0.791 5.143 4.350 0.002 0.000 0.265 389 E C -0.284 176.320 176.600 0.006 0.000 0.990 389 E CA -0.492 55.904 56.400 -0.006 0.000 0.874 389 E CB 0.976 30.671 29.700 -0.008 0.000 1.646 389 E HN 0.608 nan 8.360 nan 0.000 0.451 390 T N -1.787 112.773 114.554 0.010 0.000 2.855 390 T HA 0.808 5.160 4.350 0.002 0.000 0.281 390 T C 0.183 174.891 174.700 0.014 0.000 1.007 390 T CA -0.116 61.992 62.100 0.015 0.000 1.009 390 T CB 1.488 70.364 68.868 0.014 0.000 0.983 390 T HN 0.849 nan 8.240 nan 0.000 0.455 391 G N 1.875 110.684 108.800 0.016 0.000 2.548 391 G HA2 0.517 4.478 3.960 0.002 0.000 0.301 391 G HA3 0.517 4.478 3.960 0.002 0.000 0.301 391 G C -1.132 173.779 174.900 0.018 0.000 1.349 391 G CA -1.121 43.989 45.100 0.017 0.000 0.792 391 G HN 0.704 nan 8.290 nan 0.000 0.481 392 M N 0.616 120.227 119.600 0.019 0.000 2.233 392 M HA 0.545 5.027 4.480 0.002 0.000 0.350 392 M C -0.299 176.014 176.300 0.022 0.000 1.176 392 M CA -0.434 54.878 55.300 0.019 0.000 1.150 392 M CB 0.982 33.592 32.600 0.017 0.000 1.530 392 M HN 0.405 nan 8.290 nan 0.000 0.459 393 V N 2.255 122.180 119.914 0.019 0.000 2.808 393 V HA 0.856 4.978 4.120 0.002 0.000 0.308 393 V C 0.077 176.180 176.094 0.015 0.000 1.099 393 V CA 0.714 63.025 62.300 0.019 0.000 0.920 393 V CB 1.947 33.782 31.823 0.019 0.000 1.014 393 V HN 1.037 nan 8.190 nan 0.000 0.425 394 G N 4.276 113.085 108.800 0.015 0.000 4.399 394 G HA2 0.028 3.990 3.960 0.002 0.000 0.158 394 G HA3 0.028 3.990 3.960 0.002 0.000 0.158 394 G C 0.127 175.033 174.900 0.011 0.000 1.911 394 G CA 0.349 45.455 45.100 0.010 0.000 0.926 394 G HN 1.676 nan 8.290 nan 0.000 0.292 395 S N 2.870 118.581 115.700 0.017 0.000 2.462 395 S HA 0.717 5.188 4.470 0.002 0.000 0.294 395 S C -2.437 172.186 174.600 0.038 0.000 1.144 395 S CA -1.073 57.140 58.200 0.022 0.000 1.088 395 S CB 1.958 65.170 63.200 0.020 0.000 1.009 395 S HN 0.490 nan 8.310 nan 0.000 0.484 396 P HA 0.195 nan 4.420 nan 0.000 0.271 396 P C -0.240 177.105 177.300 0.075 0.000 1.220 396 P CA -0.444 62.704 63.100 0.079 0.000 0.768 396 P CB 0.548 32.306 31.700 0.098 0.000 0.848 397 K N 2.672 123.123 120.400 0.085 0.000 2.318 397 K HA 0.307 4.628 4.320 0.002 0.000 0.243 397 K C 1.270 177.904 176.600 0.056 0.000 1.047 397 K CA -0.789 55.535 56.287 0.062 0.000 0.937 397 K CB 0.799 33.333 32.500 0.057 0.000 1.225 397 K HN 0.058 nan 8.250 nan 0.000 0.506 398 R N 0.058 120.574 120.500 0.026 0.000 2.171 398 R HA -0.272 4.069 4.340 0.002 0.000 0.226 398 R C 2.898 179.187 176.300 -0.019 0.000 1.113 398 R CA 2.949 59.048 56.100 -0.002 0.000 0.887 398 R CB -1.153 29.133 30.300 -0.022 0.000 0.830 398 R HN 0.755 nan 8.270 nan 0.000 0.432 399 R N 1.626 122.105 120.500 -0.035 0.000 2.179 399 R HA -0.296 4.046 4.340 0.002 0.000 0.238 399 R C 2.067 178.387 176.300 0.034 0.000 1.119 399 R CA 2.458 58.507 56.100 -0.085 0.000 0.915 399 R CB -1.978 28.340 30.300 0.030 0.000 0.870 399 R HN 0.632 nan 8.270 nan 0.000 0.432 400 E N -0.027 120.305 120.200 0.220 0.000 2.245 400 E HA -0.262 4.090 4.350 0.002 0.000 0.217 400 E C 2.091 178.873 176.600 0.302 0.000 1.069 400 E CA 1.958 58.616 56.400 0.429 0.000 0.877 400 E CB -0.488 29.404 29.700 0.320 0.000 0.757 400 E HN 0.747 nan 8.360 nan 0.000 0.464 401 I N -0.019 120.631 120.570 0.134 0.000 2.406 401 I HA -0.090 4.081 4.170 0.002 0.000 0.249 401 I C 2.593 178.699 176.117 -0.018 0.000 1.122 401 I CA 0.873 62.225 61.300 0.087 0.000 1.431 401 I CB -0.486 37.550 38.000 0.060 0.000 1.087 401 I HN 0.126 nan 8.210 nan 0.000 0.424 402 G N 0.349 109.071 108.800 -0.130 0.000 2.404 402 G HA2 -0.237 3.725 3.960 0.002 0.000 0.215 402 G HA3 -0.237 3.725 3.960 0.002 0.000 0.215 402 G C 1.361 176.057 174.900 -0.340 0.000 1.174 402 G CA 0.761 45.706 45.100 -0.260 0.000 0.780 402 G HN 0.427 nan 8.290 nan 0.000 0.537 403 H N -0.142 118.737 119.070 -0.318 0.000 2.495 403 H HA 0.098 4.656 4.556 0.002 0.000 0.287 403 H C 2.753 177.793 175.328 -0.480 0.000 1.033 403 H CA 0.619 56.334 56.048 -0.555 0.000 1.307 403 H CB 0.140 29.236 29.762 -1.110 0.000 1.401 403 H HN 0.392 nan 8.280 nan 0.000 0.555 404 G N 0.345 109.066 108.800 -0.132 0.000 2.403 404 G HA2 -0.251 3.711 3.960 0.002 0.000 0.216 404 G HA3 -0.251 3.711 3.960 0.002 0.000 0.216 404 G C 1.769 176.643 174.900 -0.044 0.000 1.154 404 G CA 0.320 45.473 45.100 0.088 0.000 0.784 404 G HN 0.208 nan 8.290 nan 0.000 0.538 405 R N -0.346 120.113 120.500 -0.069 0.000 2.115 405 R HA 0.143 4.485 4.340 0.002 0.000 0.226 405 R C 2.305 178.518 176.300 -0.146 0.000 1.100 405 R CA 0.600 56.651 56.100 -0.082 0.000 0.980 405 R CB -0.583 29.679 30.300 -0.063 0.000 0.875 405 R HN 0.346 nan 8.270 nan 0.000 0.445 406 L N -0.076 121.038 121.223 -0.183 0.000 2.017 406 L HA 0.037 4.378 4.340 0.002 0.000 0.208 406 L C 1.960 178.683 176.870 -0.245 0.000 1.073 406 L CA 2.278 57.004 54.840 -0.189 0.000 0.745 406 L CB -0.860 41.097 42.059 -0.171 0.000 0.894 406 L HN 0.194 nan 8.230 nan 0.000 0.432 407 A N -1.020 121.582 122.820 -0.363 0.000 2.067 407 A HA -0.192 4.129 4.320 0.002 0.000 0.219 407 A C 2.407 179.520 177.584 -0.785 0.000 1.158 407 A CA 1.583 53.273 52.037 -0.577 0.000 0.661 407 A CB -0.571 17.993 19.000 -0.726 0.000 0.801 407 A HN 0.517 nan 8.150 nan 0.000 0.452 408 K N -0.233 119.804 120.400 -0.604 0.000 2.062 408 K HA -0.076 4.245 4.320 0.002 0.000 0.205 408 K C 2.156 178.702 176.600 -0.090 0.000 1.051 408 K CA 1.048 57.226 56.287 -0.182 0.000 0.941 408 K CB -0.127 32.396 32.500 0.037 0.000 0.719 408 K HN 0.430 nan 8.250 nan 0.000 0.440 409 R N -0.583 119.838 120.500 -0.132 0.000 2.115 409 R HA -0.048 4.293 4.340 0.002 0.000 0.230 409 R C 2.262 178.487 176.300 -0.126 0.000 1.111 409 R CA 1.185 57.220 56.100 -0.109 0.000 0.976 409 R CB -0.234 30.004 30.300 -0.103 0.000 0.870 409 R HN 0.284 nan 8.270 nan 0.000 0.445 410 G N -0.300 108.410 108.800 -0.150 0.000 2.650 410 G HA2 -0.073 3.888 3.960 0.002 0.000 0.214 410 G HA3 -0.073 3.888 3.960 0.002 0.000 0.214 410 G C 1.153 175.979 174.900 -0.124 0.000 1.136 410 G CA 0.325 45.346 45.100 -0.131 0.000 0.789 410 G HN 0.144 nan 8.290 nan 0.000 0.536 411 V N -0.350 119.476 119.914 -0.146 0.000 3.455 411 V HA 0.168 4.290 4.120 0.002 0.000 0.250 411 V C 2.234 178.143 176.094 -0.308 0.000 1.230 411 V CA 0.080 62.278 62.300 -0.171 0.000 1.105 411 V CB 0.448 32.234 31.823 -0.061 0.000 0.850 411 V HN 0.261 nan 8.190 nan 0.000 0.461 412 L N 1.586 122.622 121.223 -0.312 0.000 2.127 412 L HA -0.106 4.235 4.340 0.002 0.000 0.211 412 L C 2.421 179.165 176.870 -0.209 0.000 1.089 412 L CA 2.337 56.983 54.840 -0.323 0.000 0.757 412 L CB -0.532 41.424 42.059 -0.172 0.000 0.899 412 L HN 0.278 nan 8.230 nan 0.000 0.434 413 A N -1.813 120.916 122.820 -0.152 0.000 2.014 413 A HA -0.070 4.252 4.320 0.002 0.000 0.218 413 A C 2.171 179.690 177.584 -0.107 0.000 1.163 413 A CA 1.621 53.594 52.037 -0.108 0.000 0.652 413 A CB -0.641 18.306 19.000 -0.087 0.000 0.808 413 A HN 0.280 nan 8.150 nan 0.000 0.449 414 V N 0.054 119.889 119.914 -0.132 0.000 2.446 414 V HA -0.042 4.080 4.120 0.002 0.000 0.244 414 V C 1.215 177.232 176.094 -0.129 0.000 1.039 414 V CA 0.452 62.684 62.300 -0.115 0.000 1.045 414 V CB -0.658 31.101 31.823 -0.107 0.000 0.681 414 V HN 0.469 nan 8.190 nan 0.000 0.459 415 M N 2.356 121.838 119.600 -0.196 0.000 2.255 415 M HA 0.078 4.560 4.480 0.002 0.000 0.356 415 M C -2.031 174.209 176.300 -0.100 0.000 1.338 415 M CA -1.224 53.960 55.300 -0.193 0.000 0.962 415 M CB -0.493 31.899 32.600 -0.347 0.000 1.877 415 M HN 0.122 nan 8.290 nan 0.000 0.463 416 P HA 0.088 nan 4.420 nan 0.000 0.272 416 P C -0.758 176.576 177.300 0.055 0.000 1.223 416 P CA -0.368 62.730 63.100 -0.003 0.000 0.784 416 P CB 0.291 31.989 31.700 -0.003 0.000 0.923 417 D N 1.794 122.227 120.400 0.055 0.000 2.384 417 D HA 0.019 4.660 4.640 0.002 0.000 0.244 417 D C 1.359 177.715 176.300 0.094 0.000 1.251 417 D CA -0.346 53.690 54.000 0.060 0.000 0.961 417 D CB 0.275 41.096 40.800 0.034 0.000 1.116 417 D HN 0.120 nan 8.370 nan 0.000 0.484 418 M N -0.018 119.619 119.600 0.063 0.000 2.374 418 M HA -0.085 4.397 4.480 0.002 0.000 0.264 418 M C 1.823 178.131 176.300 0.014 0.000 1.067 418 M CA 1.670 56.993 55.300 0.037 0.000 1.103 418 M CB -1.454 31.151 32.600 0.009 0.000 1.402 418 M HN 0.741 nan 8.290 nan 0.000 0.444 419 D N 0.202 120.617 120.400 0.025 0.000 2.219 419 D HA -0.157 4.484 4.640 0.002 0.000 0.205 419 D C 2.186 178.507 176.300 0.034 0.000 0.970 419 D CA 1.485 55.494 54.000 0.016 0.000 0.851 419 D CB -0.096 40.714 40.800 0.016 0.000 0.943 419 D HN 0.473 nan 8.370 nan 0.000 0.488 420 K N -2.453 117.993 120.400 0.077 0.000 2.287 420 K HA 0.203 4.524 4.320 0.002 0.000 0.199 420 K C -0.654 176.079 176.600 0.222 0.000 1.061 420 K CA -0.145 56.215 56.287 0.121 0.000 0.976 420 K CB 0.541 33.111 32.500 0.117 0.000 0.898 420 K HN 0.296 nan 8.250 nan 0.000 0.492 421 F N 2.933 122.910 119.950 0.044 0.000 2.676 421 F HA 0.355 4.879 4.527 -0.005 0.000 0.371 421 F C -2.540 173.282 175.800 0.037 0.000 1.141 421 F CA -2.569 55.493 58.000 0.104 0.000 1.133 421 F CB 1.816 40.898 39.000 0.136 0.000 1.376 421 F HN -0.102 nan 8.300 nan 0.000 0.491 422 P HA 0.214 nan 4.420 nan 0.000 0.209 422 P C -1.666 175.117 177.300 -0.862 0.000 1.843 422 P CA 0.085 62.882 63.100 -0.504 0.000 0.985 422 P CB -0.464 30.952 31.700 -0.474 0.000 1.904 423 Y N -0.824 119.245 120.300 -0.386 0.000 2.492 423 Y HA 0.360 4.918 4.550 0.013 0.000 0.346 423 Y C 0.936 176.818 175.900 -0.029 0.000 0.997 423 Y CA -0.919 57.004 58.100 -0.295 0.000 1.025 423 Y CB 1.645 39.771 38.460 -0.556 0.000 1.263 423 Y HN -0.127 nan 8.280 nan 0.000 0.454 424 T N 0.138 114.778 114.554 0.143 0.000 2.814 424 T HA 0.551 4.903 4.350 0.002 0.000 0.297 424 T C -0.443 174.342 174.700 0.142 0.000 0.956 424 T CA -0.588 61.590 62.100 0.131 0.000 1.123 424 T CB 0.233 69.145 68.868 0.074 0.000 0.902 424 T HN 0.342 nan 8.240 nan 0.000 0.528 425 V N 4.146 124.155 119.914 0.159 0.000 2.459 425 V HA 0.573 4.694 4.120 0.002 0.000 0.295 425 V C 0.279 176.317 176.094 -0.093 0.000 1.029 425 V CA -1.051 61.311 62.300 0.104 0.000 0.874 425 V CB 1.438 33.413 31.823 0.254 0.000 0.985 425 V HN 0.960 nan 8.190 nan 0.000 0.438 426 R N 3.385 123.818 120.500 -0.113 0.000 2.360 426 R HA 0.708 5.049 4.340 0.002 0.000 0.318 426 R C -1.711 174.443 176.300 -0.244 0.000 0.950 426 R CA -0.378 55.603 56.100 -0.199 0.000 0.837 426 R CB 1.753 32.020 30.300 -0.053 0.000 1.165 426 R HN 0.586 nan 8.270 nan 0.000 0.458 427 V N 5.505 125.133 119.914 -0.476 0.000 2.384 427 V HA 0.363 4.484 4.120 0.002 0.000 0.287 427 V C -0.346 175.368 176.094 -0.634 0.000 1.020 427 V CA -0.770 61.191 62.300 -0.564 0.000 0.850 427 V CB 1.655 33.013 31.823 -0.776 0.000 0.987 427 V HN 0.473 nan 8.190 nan 0.000 0.436 428 V N 3.707 123.421 119.914 -0.333 0.000 2.384 428 V HA 0.481 4.602 4.120 0.002 0.000 0.287 428 V C 0.224 176.238 176.094 -0.133 0.000 1.020 428 V CA -0.255 61.942 62.300 -0.172 0.000 0.850 428 V CB 1.811 33.609 31.823 -0.043 0.000 0.987 428 V HN 0.840 nan 8.190 nan 0.000 0.436 429 S N 3.925 119.598 115.700 -0.045 0.000 2.433 429 S HA 0.485 4.956 4.470 0.002 0.000 0.310 429 S C -0.541 174.057 174.600 -0.004 0.000 1.097 429 S CA -0.637 57.596 58.200 0.055 0.000 1.103 429 S CB 0.645 64.013 63.200 0.281 0.000 0.992 429 S HN 0.711 nan 8.310 nan 0.000 0.469 430 E N 4.399 124.590 120.200 -0.016 0.000 2.102 430 E HA 0.275 4.627 4.350 0.002 0.000 0.263 430 E C -0.408 176.145 176.600 -0.078 0.000 0.894 430 E CA -0.655 55.706 56.400 -0.066 0.000 0.746 430 E CB 0.962 30.651 29.700 -0.017 0.000 1.129 430 E HN 0.569 nan 8.360 nan 0.000 0.416 431 I N 3.790 124.246 120.570 -0.190 0.000 2.483 431 I HA -0.045 4.126 4.170 0.002 0.000 0.291 431 I C 1.859 177.830 176.117 -0.244 0.000 1.112 431 I CA 0.372 61.560 61.300 -0.186 0.000 1.350 431 I CB -0.321 37.536 38.000 -0.238 0.000 1.419 431 I HN 0.421 nan 8.210 nan 0.000 0.523 432 T N 2.984 117.491 114.554 -0.078 0.000 2.894 432 T HA 0.036 4.387 4.350 0.002 0.000 0.258 432 T C 0.508 175.198 174.700 -0.017 0.000 1.043 432 T CA 0.223 62.341 62.100 0.031 0.000 1.141 432 T CB 0.159 69.079 68.868 0.087 0.000 0.873 432 T HN 0.683 nan 8.240 nan 0.000 0.449 433 E N -0.135 120.035 120.200 -0.050 0.000 2.366 433 E HA 0.614 4.966 4.350 0.002 0.000 0.278 433 E C -1.627 174.953 176.600 -0.035 0.000 0.923 433 E CA -1.103 55.263 56.400 -0.058 0.000 0.761 433 E CB 1.953 31.648 29.700 -0.008 0.000 1.231 433 E HN 0.010 nan 8.360 nan 0.000 0.443 434 S N 0.957 116.641 115.700 -0.026 0.000 2.614 434 S HA 0.404 4.875 4.470 0.002 0.000 0.288 434 S C -0.850 173.802 174.600 0.087 0.000 1.137 434 S CA -0.446 57.801 58.200 0.078 0.000 0.992 434 S CB 1.326 64.652 63.200 0.211 0.000 1.026 434 S HN 0.666 nan 8.310 nan 0.000 0.486 435 N N 3.246 122.007 118.700 0.102 0.000 2.428 435 N HA 0.312 5.053 4.740 0.002 0.000 0.249 435 N C 0.939 176.526 175.510 0.128 0.000 1.092 435 N CA 1.100 54.212 53.050 0.103 0.000 0.833 435 N CB 0.366 38.902 38.487 0.081 0.000 1.575 435 N HN 0.628 nan 8.380 nan 0.000 0.476 436 G N -0.652 108.216 108.800 0.113 0.000 2.474 436 G HA2 0.260 4.221 3.960 0.002 0.000 0.205 436 G HA3 0.260 4.221 3.960 0.002 0.000 0.205 436 G C -0.760 174.188 174.900 0.081 0.000 1.934 436 G CA 0.020 45.179 45.100 0.100 0.000 0.713 436 G HN 0.176 nan 8.290 nan 0.000 0.773 437 S N -0.078 115.673 115.700 0.085 0.000 2.442 437 S HA 0.579 5.050 4.470 0.002 0.000 0.297 437 S C 0.556 175.216 174.600 0.100 0.000 1.131 437 S CA -0.376 57.864 58.200 0.067 0.000 1.092 437 S CB 1.567 64.809 63.200 0.070 0.000 0.998 437 S HN 0.242 nan 8.310 nan 0.000 0.478 438 S N 2.510 118.255 115.700 0.074 0.000 2.527 438 S HA -0.008 4.463 4.470 0.002 0.000 0.227 438 S C 2.069 176.790 174.600 0.202 0.000 1.059 438 S CA 0.470 58.782 58.200 0.186 0.000 0.919 438 S CB 0.047 63.431 63.200 0.308 0.000 0.805 438 S HN 0.838 nan 8.310 nan 0.000 0.500 439 S N 2.370 118.059 115.700 -0.018 0.000 2.368 439 S HA -0.020 4.452 4.470 0.002 0.000 0.224 439 S C 1.902 176.507 174.600 0.008 0.000 1.029 439 S CA 0.819 58.981 58.200 -0.063 0.000 0.988 439 S CB -0.417 62.711 63.200 -0.120 0.000 0.838 439 S HN 0.175 nan 8.310 nan 0.000 0.462 440 M N 2.542 122.153 119.600 0.018 0.000 2.139 440 M HA 0.074 4.556 4.480 0.002 0.000 0.260 440 M C 2.827 179.146 176.300 0.032 0.000 1.078 440 M CA 1.829 57.140 55.300 0.018 0.000 1.106 440 M CB -2.130 30.493 32.600 0.039 0.000 1.275 440 M HN 0.471 nan 8.290 nan 0.000 0.425 441 A N 0.600 123.484 122.820 0.106 0.000 1.894 441 A HA -0.280 4.042 4.320 0.002 0.000 0.220 441 A C 2.452 180.039 177.584 0.005 0.000 1.237 441 A CA 3.194 55.313 52.037 0.136 0.000 0.660 441 A CB -1.387 17.834 19.000 0.368 0.000 0.835 441 A HN 0.593 nan 8.150 nan 0.000 0.461 442 S N -0.645 115.136 115.700 0.136 0.000 2.412 442 S HA -0.323 4.149 4.470 0.002 0.000 0.246 442 S C 1.994 176.663 174.600 0.116 0.000 1.073 442 S CA 2.746 61.061 58.200 0.192 0.000 1.186 442 S CB -1.473 61.922 63.200 0.325 0.000 1.084 442 S HN 1.210 nan 8.310 nan 0.000 0.434 443 V N 0.253 120.192 119.914 0.042 0.000 2.439 443 V HA -0.286 3.835 4.120 0.002 0.000 0.253 443 V C 2.154 178.196 176.094 -0.086 0.000 1.074 443 V CA 1.969 64.265 62.300 -0.008 0.000 1.076 443 V CB -1.938 29.841 31.823 -0.073 0.000 0.664 443 V HN 0.651 nan 8.190 nan 0.000 0.461 444 C N 1.494 120.638 119.300 -0.261 0.000 2.457 444 C HA 0.187 4.648 4.460 0.002 0.000 0.278 444 C C 3.063 177.815 174.990 -0.397 0.000 1.309 444 C CA 0.611 59.310 59.018 -0.531 0.000 1.735 444 C CB -1.778 25.156 27.740 -1.343 0.000 1.992 444 C HN 0.690 nan 8.230 nan 0.000 0.493 445 G N 0.375 109.039 108.800 -0.228 0.000 2.421 445 G HA2 0.090 4.051 3.960 0.002 0.000 0.217 445 G HA3 0.090 4.051 3.960 0.002 0.000 0.217 445 G C 1.829 176.763 174.900 0.057 0.000 1.143 445 G CA 0.911 46.013 45.100 0.003 0.000 0.784 445 G HN 0.587 nan 8.290 nan 0.000 0.541 446 A N 0.645 123.531 122.820 0.110 0.000 1.898 446 A HA 0.029 4.351 4.320 0.002 0.000 0.216 446 A C 2.594 180.240 177.584 0.104 0.000 1.181 446 A CA 2.140 54.281 52.037 0.173 0.000 0.620 446 A CB -0.752 18.499 19.000 0.418 0.000 0.819 446 A HN 0.378 nan 8.150 nan 0.000 0.442 447 S N -0.589 115.139 115.700 0.046 0.000 2.399 447 S HA -0.069 4.402 4.470 0.002 0.000 0.231 447 S C 1.839 176.443 174.600 0.007 0.000 1.022 447 S CA 1.397 59.603 58.200 0.010 0.000 0.983 447 S CB -0.448 62.734 63.200 -0.030 0.000 0.803 447 S HN 0.481 nan 8.310 nan 0.000 0.480 448 L N 0.635 121.865 121.223 0.012 0.000 2.179 448 L HA 0.129 4.470 4.340 0.002 0.000 0.208 448 L C 2.815 179.705 176.870 0.034 0.000 1.096 448 L CA 0.960 55.817 54.840 0.028 0.000 0.779 448 L CB -0.508 41.583 42.059 0.054 0.000 0.922 448 L HN 0.350 nan 8.230 nan 0.000 0.443 449 A N 0.069 122.913 122.820 0.040 0.000 1.929 449 A HA -0.056 4.265 4.320 0.002 0.000 0.216 449 A C 2.219 179.822 177.584 0.031 0.000 1.176 449 A CA 1.045 53.103 52.037 0.037 0.000 0.628 449 A CB -0.504 18.515 19.000 0.032 0.000 0.816 449 A HN 0.314 nan 8.150 nan 0.000 0.444 450 L N -1.038 120.205 121.223 0.033 0.000 2.156 450 L HA -0.145 4.197 4.340 0.002 0.000 0.208 450 L C 2.792 179.650 176.870 -0.021 0.000 1.095 450 L CA 1.109 55.959 54.840 0.015 0.000 0.770 450 L CB -0.391 41.687 42.059 0.032 0.000 0.914 450 L HN 0.412 nan 8.230 nan 0.000 0.439 451 M N -0.629 118.963 119.600 -0.013 0.000 2.064 451 M HA -0.219 4.263 4.480 0.002 0.000 0.260 451 M C 1.976 178.270 176.300 -0.010 0.000 1.073 451 M CA 1.834 57.120 55.300 -0.023 0.000 1.124 451 M CB -0.559 32.033 32.600 -0.013 0.000 1.326 451 M HN 0.110 nan 8.290 nan 0.000 0.410 452 D N 0.397 120.802 120.400 0.008 0.000 2.190 452 D HA -0.159 4.483 4.640 0.002 0.000 0.200 452 D C 1.759 178.074 176.300 0.024 0.000 0.992 452 D CA 1.680 55.691 54.000 0.017 0.000 0.854 452 D CB 0.126 40.942 40.800 0.026 0.000 0.936 452 D HN 0.334 nan 8.370 nan 0.000 0.462 453 A N -0.935 121.901 122.820 0.026 0.000 1.929 453 A HA 0.313 4.635 4.320 0.002 0.000 0.216 453 A C 2.032 179.630 177.584 0.023 0.000 1.176 453 A CA 1.713 53.778 52.037 0.047 0.000 0.628 453 A CB -0.342 18.685 19.000 0.045 0.000 0.816 453 A HN 0.555 nan 8.150 nan 0.000 0.444 454 G N -2.610 106.178 108.800 -0.020 0.000 2.198 454 G HA2 -0.079 3.883 3.960 0.002 0.000 0.156 454 G HA3 -0.079 3.883 3.960 0.002 0.000 0.156 454 G C -0.005 174.812 174.900 -0.139 0.000 1.012 454 G CA -0.101 44.977 45.100 -0.037 0.000 0.692 454 G HN 0.733 nan 8.290 nan 0.000 0.492 455 V N 2.855 122.629 119.914 -0.234 0.000 2.439 455 V HA 0.356 4.477 4.120 0.002 0.000 0.271 455 V C -1.324 174.553 176.094 -0.360 0.000 1.040 455 V CA -0.891 61.093 62.300 -0.527 0.000 1.002 455 V CB 1.099 32.675 31.823 -0.413 0.000 1.000 455 V HN 0.236 nan 8.190 nan 0.000 0.477 456 P HA 0.202 nan 4.420 nan 0.000 0.252 456 P C 0.018 177.221 177.300 -0.161 0.000 1.727 456 P CA -0.145 62.839 63.100 -0.192 0.000 1.134 456 P CB -0.215 31.414 31.700 -0.119 0.000 1.876 457 I N -1.204 119.285 120.570 -0.136 0.000 2.779 457 I HA 0.155 4.326 4.170 0.002 0.000 0.285 457 I C 1.342 177.417 176.117 -0.071 0.000 1.134 457 I CA -0.440 60.798 61.300 -0.103 0.000 1.398 457 I CB 0.687 38.636 38.000 -0.086 0.000 1.404 457 I HN -0.033 nan 8.210 nan 0.000 0.587 458 K N 3.595 123.957 120.400 -0.064 0.000 2.001 458 K HA 0.142 4.463 4.320 0.002 0.000 0.208 458 K C 0.558 177.134 176.600 -0.039 0.000 1.048 458 K CA 1.590 57.850 56.287 -0.046 0.000 0.932 458 K CB -0.131 32.342 32.500 -0.045 0.000 0.715 458 K HN 0.864 nan 8.250 nan 0.000 0.437 459 A N -0.082 122.713 122.820 -0.043 0.000 2.594 459 A HA 0.643 4.964 4.320 0.002 0.000 0.295 459 A C -1.480 176.082 177.584 -0.037 0.000 1.071 459 A CA -0.749 51.267 52.037 -0.035 0.000 0.685 459 A CB 1.359 20.341 19.000 -0.030 0.000 1.285 459 A HN 0.161 nan 8.150 nan 0.000 0.405 460 A N 0.394 123.196 122.820 -0.030 0.000 2.520 460 A HA 0.490 4.812 4.320 0.002 0.000 0.245 460 A C 0.111 177.673 177.584 -0.036 0.000 1.072 460 A CA 0.318 52.337 52.037 -0.030 0.000 0.761 460 A CB -0.051 18.936 19.000 -0.021 0.000 1.004 460 A HN 2.007 nan 8.150 nan 0.000 0.499 461 V N 2.302 122.189 119.914 -0.046 0.000 2.628 461 V HA 0.821 4.942 4.120 0.002 0.000 0.306 461 V C 0.254 176.305 176.094 -0.072 0.000 1.045 461 V CA 0.400 62.668 62.300 -0.053 0.000 0.905 461 V CB 1.524 33.312 31.823 -0.058 0.000 0.997 461 V HN 1.587 nan 8.190 nan 0.000 0.436 462 A N 4.094 126.874 122.820 -0.067 0.000 2.507 462 A HA 1.088 5.410 4.320 0.002 0.000 0.284 462 A C -0.091 177.456 177.584 -0.061 0.000 1.281 462 A CA -0.352 51.633 52.037 -0.088 0.000 0.744 462 A CB 1.779 20.746 19.000 -0.056 0.000 1.332 462 A HN 2.072 nan 8.150 nan 0.000 0.454 463 G N -1.086 107.688 108.800 -0.044 0.000 2.498 463 G HA2 0.639 4.600 3.960 0.002 0.000 0.301 463 G HA3 0.639 4.600 3.960 0.002 0.000 0.301 463 G C -1.500 173.417 174.900 0.028 0.000 1.577 463 G CA 0.153 45.245 45.100 -0.013 0.000 0.868 463 G HN 1.711 nan 8.290 nan 0.000 0.599 464 I N -0.885 119.714 120.570 0.048 0.000 2.994 464 I HA 0.939 5.110 4.170 0.002 0.000 0.306 464 I C 0.137 176.296 176.117 0.071 0.000 1.195 464 I CA -1.669 59.677 61.300 0.077 0.000 1.001 464 I CB 1.913 39.973 38.000 0.100 0.000 1.244 464 I HN 0.957 nan 8.210 nan 0.000 0.437 465 A N 5.143 128.009 122.820 0.077 0.000 2.303 465 A HA 0.933 5.255 4.320 0.002 0.000 0.317 465 A C -0.298 177.351 177.584 0.109 0.000 1.149 465 A CA -0.597 51.488 52.037 0.081 0.000 0.822 465 A CB 0.775 19.810 19.000 0.059 0.000 1.131 465 A HN 0.683 nan 8.150 nan 0.000 0.493 466 M N 1.030 120.725 119.600 0.159 0.000 2.724 466 M HA 0.649 5.131 4.480 0.002 0.000 0.310 466 M C 0.373 176.756 176.300 0.139 0.000 1.217 466 M CA -0.354 55.039 55.300 0.154 0.000 0.894 466 M CB 1.512 34.227 32.600 0.192 0.000 1.719 466 M HN 0.868 nan 8.290 nan 0.000 0.479 467 G N 0.465 109.315 108.800 0.083 0.000 2.798 467 G HA2 0.828 4.790 3.960 0.002 0.000 0.286 467 G HA3 0.828 4.790 3.960 0.002 0.000 0.286 467 G C -2.332 172.589 174.900 0.036 0.000 1.389 467 G CA -0.478 44.661 45.100 0.066 0.000 0.894 467 G HN 0.576 nan 8.290 nan 0.000 0.488 468 L N -0.491 120.754 121.223 0.036 0.000 2.513 468 L HA 0.671 5.012 4.340 0.002 0.000 0.261 468 L C -1.276 175.617 176.870 0.038 0.000 0.945 468 L CA -0.574 54.287 54.840 0.035 0.000 0.848 468 L CB 2.447 44.515 42.059 0.014 0.000 1.334 468 L HN 0.384 nan 8.230 nan 0.000 0.407 469 V N 4.516 124.457 119.914 0.046 0.000 2.325 469 V HA 0.485 4.606 4.120 0.002 0.000 0.280 469 V C -0.276 175.851 176.094 0.054 0.000 1.016 469 V CA -0.613 61.708 62.300 0.035 0.000 0.818 469 V CB 1.174 33.006 31.823 0.015 0.000 1.019 469 V HN 0.695 nan 8.190 nan 0.000 0.434 470 K N 3.286 123.715 120.400 0.048 0.000 2.274 470 K HA 0.674 4.996 4.320 0.002 0.000 0.262 470 K C -0.909 175.711 176.600 0.033 0.000 0.961 470 K CA -0.559 55.763 56.287 0.057 0.000 0.833 470 K CB 1.661 34.182 32.500 0.036 0.000 1.102 470 K HN 0.626 nan 8.250 nan 0.000 0.436 471 E N 2.860 123.081 120.200 0.035 0.000 2.409 471 E HA 0.353 4.705 4.350 0.002 0.000 0.259 471 E C -0.055 176.557 176.600 0.020 0.000 0.932 471 E CA 0.500 56.912 56.400 0.020 0.000 0.809 471 E CB 1.117 30.824 29.700 0.012 0.000 1.341 471 E HN 0.840 nan 8.360 nan 0.000 0.405 472 G N 4.552 113.361 108.800 0.014 0.000 3.127 472 G HA2 -0.355 3.607 3.960 0.002 0.000 0.280 472 G HA3 -0.355 3.607 3.960 0.002 0.000 0.280 472 G C 0.590 175.499 174.900 0.016 0.000 1.491 472 G CA 0.626 45.733 45.100 0.012 0.000 1.029 472 G HN 0.624 nan 8.290 nan 0.000 0.582 473 D N 0.834 121.251 120.400 0.030 0.000 2.504 473 D HA 0.090 4.732 4.640 0.002 0.000 0.276 473 D C 0.884 177.247 176.300 0.104 0.000 1.073 473 D CA 0.801 54.826 54.000 0.042 0.000 0.905 473 D CB -0.833 39.985 40.800 0.030 0.000 1.350 473 D HN 0.754 nan 8.370 nan 0.000 0.496 474 N N 0.906 119.666 118.700 0.100 0.000 2.467 474 N HA 0.199 4.941 4.740 0.002 0.000 0.262 474 N C -0.336 175.289 175.510 0.192 0.000 1.234 474 N CA -0.195 52.935 53.050 0.134 0.000 0.952 474 N CB 0.833 39.333 38.487 0.022 0.000 1.158 474 N HN 0.417 nan 8.380 nan 0.000 0.463 475 Y N -3.684 116.596 120.300 -0.032 0.000 2.609 475 Y HA 0.678 5.230 4.550 0.002 0.000 0.336 475 Y C -1.751 174.126 175.900 -0.038 0.000 1.129 475 Y CA -1.377 56.701 58.100 -0.037 0.000 1.040 475 Y CB 1.061 39.493 38.460 -0.047 0.000 1.310 475 Y HN 0.216 nan 8.280 nan 0.000 0.460 476 V N 2.903 122.806 119.914 -0.018 0.000 2.525 476 V HA 0.461 4.582 4.120 0.002 0.000 0.299 476 V C -0.706 175.402 176.094 0.024 0.000 1.034 476 V CA -0.903 61.345 62.300 -0.087 0.000 0.863 476 V CB 1.535 33.316 31.823 -0.069 0.000 0.999 476 V HN 0.745 nan 8.190 nan 0.000 0.423 477 V N 6.262 126.185 119.914 0.015 0.000 2.432 477 V HA 0.428 4.549 4.120 0.002 0.000 0.275 477 V C -0.189 175.907 176.094 0.004 0.000 1.043 477 V CA -0.391 61.928 62.300 0.033 0.000 0.925 477 V CB 1.332 33.178 31.823 0.038 0.000 0.985 477 V HN 0.585 nan 8.190 nan 0.000 0.466 478 L N 4.104 125.335 121.223 0.013 0.000 2.309 478 L HA 0.520 4.861 4.340 0.002 0.000 0.282 478 L C 0.377 177.263 176.870 0.026 0.000 1.036 478 L CA 0.466 55.316 54.840 0.017 0.000 0.806 478 L CB 1.986 44.061 42.059 0.027 0.000 1.220 478 L HN 0.620 nan 8.230 nan 0.000 0.429 479 S N 1.341 117.055 115.700 0.023 0.000 2.437 479 S HA 0.332 4.804 4.470 0.002 0.000 0.305 479 S C -0.690 173.934 174.600 0.041 0.000 1.109 479 S CA -0.474 57.745 58.200 0.032 0.000 1.099 479 S CB 0.812 64.020 63.200 0.014 0.000 1.004 479 S HN 0.704 nan 8.310 nan 0.000 0.475 480 D N 2.070 122.506 120.400 0.059 0.000 3.278 480 D HA -0.171 4.470 4.640 0.002 0.000 0.233 480 D C -0.017 176.322 176.300 0.066 0.000 1.149 480 D CA 0.397 54.439 54.000 0.069 0.000 0.957 480 D CB -1.242 39.599 40.800 0.069 0.000 0.913 480 D HN 0.608 nan 8.370 nan 0.000 0.409 481 I N -1.417 119.195 120.570 0.069 0.000 2.836 481 I HA 0.297 4.469 4.170 0.002 0.000 0.285 481 I C 1.011 177.177 176.117 0.081 0.000 1.174 481 I CA -0.762 60.579 61.300 0.069 0.000 1.405 481 I CB 0.467 38.506 38.000 0.065 0.000 1.385 481 I HN 0.120 nan 8.210 nan 0.000 0.594 482 L N 3.258 124.537 121.223 0.093 0.000 2.569 482 L HA 0.429 4.771 4.340 0.002 0.000 0.247 482 L C 1.842 178.801 176.870 0.149 0.000 1.135 482 L CA -0.130 54.781 54.840 0.119 0.000 0.812 482 L CB 0.504 42.641 42.059 0.130 0.000 1.431 482 L HN 0.876 nan 8.230 nan 0.000 0.499 483 G N -1.194 107.727 108.800 0.202 0.000 2.408 483 G HA2 -0.182 3.779 3.960 0.002 0.000 0.217 483 G HA3 -0.182 3.779 3.960 0.002 0.000 0.217 483 G C 0.885 176.022 174.900 0.395 0.000 1.150 483 G CA 0.447 45.726 45.100 0.298 0.000 0.776 483 G HN 0.654 nan 8.290 nan 0.000 0.542 484 D N 0.358 120.948 120.400 0.317 0.000 2.317 484 D HA 0.023 4.664 4.640 0.002 0.000 0.211 484 D C 2.141 178.553 176.300 0.186 0.000 0.966 484 D CA 0.451 54.618 54.000 0.278 0.000 0.876 484 D CB 0.071 41.042 40.800 0.285 0.000 0.927 484 D HN 0.452 nan 8.370 nan 0.000 0.519 485 E N -0.128 120.163 120.200 0.152 0.000 2.474 485 E HA -0.051 4.301 4.350 0.002 0.000 0.194 485 E C 0.875 177.520 176.600 0.075 0.000 1.041 485 E CA 0.217 56.673 56.400 0.093 0.000 0.874 485 E CB 0.478 30.226 29.700 0.079 0.000 0.914 485 E HN 0.100 nan 8.360 nan 0.000 0.498 486 D N -0.452 119.992 120.400 0.075 0.000 2.431 486 D HA -0.031 4.610 4.640 0.002 0.000 0.235 486 D C 1.451 177.721 176.300 -0.050 0.000 0.980 486 D CA 0.872 54.861 54.000 -0.019 0.000 0.912 486 D CB 0.213 40.951 40.800 -0.104 0.000 1.056 486 D HN 0.117 nan 8.370 nan 0.000 0.494 487 H N -0.676 118.458 119.070 0.105 0.000 2.462 487 H HA 0.207 4.764 4.556 0.002 0.000 0.292 487 H C 1.387 176.785 175.328 0.117 0.000 1.049 487 H CA 0.937 57.059 56.048 0.123 0.000 1.334 487 H CB 0.327 30.183 29.762 0.157 0.000 1.404 487 H HN 0.134 nan 8.280 nan 0.000 0.544 488 L N -0.551 120.781 121.223 0.182 0.000 2.664 488 L HA 0.265 4.606 4.340 0.002 0.000 0.233 488 L C 1.550 178.458 176.870 0.062 0.000 1.113 488 L CA -0.196 54.703 54.840 0.099 0.000 0.896 488 L CB 0.371 42.441 42.059 0.018 0.000 1.163 488 L HN 0.180 nan 8.230 nan 0.000 0.497 489 G N -0.565 108.272 108.800 0.062 0.000 2.516 489 G HA2 0.056 4.018 3.960 0.002 0.000 0.276 489 G HA3 0.056 4.018 3.960 0.002 0.000 0.276 489 G C 0.016 174.943 174.900 0.045 0.000 1.390 489 G CA -0.146 44.980 45.100 0.044 0.000 1.050 489 G HN -0.011 nan 8.290 nan 0.000 0.519 490 D N -1.080 119.344 120.400 0.039 0.000 2.423 490 D HA 0.137 4.778 4.640 0.002 0.000 0.212 490 D C 1.024 177.348 176.300 0.040 0.000 1.060 490 D CA 0.692 54.713 54.000 0.036 0.000 0.872 490 D CB 0.442 41.257 40.800 0.026 0.000 1.012 490 D HN 0.476 nan 8.370 nan 0.000 0.503 491 M N -1.279 118.351 119.600 0.050 0.000 2.603 491 M HA 0.437 4.919 4.480 0.002 0.000 0.275 491 M C -1.938 174.410 176.300 0.080 0.000 1.226 491 M CA -0.814 54.529 55.300 0.071 0.000 0.870 491 M CB 3.006 35.667 32.600 0.102 0.000 1.716 491 M HN -0.432 nan 8.290 nan 0.000 0.482 492 D N 1.974 122.421 120.400 0.079 0.000 2.483 492 D HA 0.322 4.963 4.640 0.002 0.000 0.281 492 D C -1.716 174.638 176.300 0.090 0.000 1.174 492 D CA -0.191 53.848 54.000 0.066 0.000 0.938 492 D CB 0.227 41.034 40.800 0.013 0.000 1.002 492 D HN 0.563 nan 8.370 nan 0.000 0.501 493 F N 2.912 122.857 119.950 -0.009 0.000 2.619 493 F HA 0.206 4.735 4.527 0.002 0.000 0.350 493 F C 0.535 176.331 175.800 -0.007 0.000 1.259 493 F CA -0.411 57.583 58.000 -0.011 0.000 1.204 493 F CB -0.029 38.966 39.000 -0.009 0.000 1.556 493 F HN -0.145 nan 8.300 nan 0.000 0.650 494 K N 3.583 123.888 120.400 -0.158 0.000 2.276 494 K HA 0.517 4.838 4.320 0.002 0.000 0.283 494 K C -0.924 175.563 176.600 -0.188 0.000 1.044 494 K CA -0.455 55.765 56.287 -0.111 0.000 0.944 494 K CB 1.619 34.062 32.500 -0.096 0.000 1.012 494 K HN 0.208 nan 8.250 nan 0.000 0.472 495 V N 1.801 121.671 119.914 -0.072 0.000 2.686 495 V HA 0.643 4.764 4.120 0.002 0.000 0.306 495 V C -0.960 175.113 176.094 -0.035 0.000 1.065 495 V CA -0.924 61.338 62.300 -0.062 0.000 0.894 495 V CB 1.777 33.616 31.823 0.027 0.000 1.004 495 V HN 0.889 nan 8.190 nan 0.000 0.424 496 A N 3.007 125.794 122.820 -0.056 0.000 2.398 496 A HA 1.038 5.359 4.320 0.002 0.000 0.301 496 A C -0.111 177.442 177.584 -0.053 0.000 1.041 496 A CA 0.102 52.107 52.037 -0.052 0.000 0.711 496 A CB 1.956 20.912 19.000 -0.073 0.000 1.240 496 A HN 1.506 nan 8.150 nan 0.000 0.420 497 G N -0.033 108.742 108.800 -0.042 0.000 2.548 497 G HA2 0.674 4.636 3.960 0.002 0.000 0.301 497 G HA3 0.674 4.636 3.960 0.002 0.000 0.301 497 G C -0.206 174.673 174.900 -0.034 0.000 1.349 497 G CA 0.317 45.392 45.100 -0.041 0.000 0.792 497 G HN 1.623 nan 8.290 nan 0.000 0.481 498 S N -0.858 114.822 115.700 -0.032 0.000 2.623 498 S HA 0.517 4.988 4.470 0.002 0.000 0.287 498 S C 1.414 176.005 174.600 -0.014 0.000 1.123 498 S CA -0.150 58.033 58.200 -0.027 0.000 1.016 498 S CB 1.582 64.762 63.200 -0.033 0.000 1.233 498 S HN 0.655 nan 8.310 nan 0.000 0.512 499 R N 0.572 121.064 120.500 -0.012 0.000 2.092 499 R HA 0.016 4.358 4.340 0.002 0.000 0.231 499 R C 1.312 177.610 176.300 -0.003 0.000 1.119 499 R CA 1.978 58.076 56.100 -0.004 0.000 0.970 499 R CB -0.628 29.669 30.300 -0.004 0.000 0.864 499 R HN 0.699 nan 8.270 nan 0.000 0.440 500 D N -1.349 119.045 120.400 -0.009 0.000 2.202 500 D HA 0.111 4.752 4.640 0.002 0.000 0.214 500 D C 0.865 177.159 176.300 -0.011 0.000 0.967 500 D CA 1.522 55.516 54.000 -0.009 0.000 0.871 500 D CB 0.053 40.846 40.800 -0.013 0.000 1.020 500 D HN 0.358 nan 8.370 nan 0.000 0.474 501 G N -0.395 108.394 108.800 -0.019 0.000 3.135 501 G HA2 0.617 4.578 3.960 0.002 0.000 0.278 501 G HA3 0.617 4.578 3.960 0.002 0.000 0.278 501 G C -1.234 173.648 174.900 -0.029 0.000 1.302 501 G CA -0.627 44.458 45.100 -0.024 0.000 0.880 501 G HN 0.010 nan 8.290 nan 0.000 0.574 502 I N 1.297 121.844 120.570 -0.038 0.000 2.378 502 I HA 0.241 4.413 4.170 0.002 0.000 0.291 502 I C 1.346 177.427 176.117 -0.060 0.000 0.992 502 I CA -0.554 60.720 61.300 -0.043 0.000 1.154 502 I CB 2.297 40.275 38.000 -0.037 0.000 1.315 502 I HN 0.606 nan 8.210 nan 0.000 0.448 503 S N 4.758 120.419 115.700 -0.064 0.000 2.327 503 S HA 0.371 4.842 4.470 0.002 0.000 0.213 503 S C 0.715 175.266 174.600 -0.082 0.000 1.032 503 S CA 0.369 58.524 58.200 -0.076 0.000 0.960 503 S CB 0.160 63.310 63.200 -0.082 0.000 0.900 503 S HN 0.747 nan 8.310 nan 0.000 0.469 504 A N 0.625 123.393 122.820 -0.088 0.000 2.517 504 A HA 0.654 4.975 4.320 0.002 0.000 0.297 504 A C -1.432 176.085 177.584 -0.111 0.000 1.050 504 A CA -0.999 50.979 52.037 -0.098 0.000 0.694 504 A CB 1.193 20.131 19.000 -0.103 0.000 1.277 504 A HN 0.896 nan 8.150 nan 0.000 0.400 505 L N -0.722 120.421 121.223 -0.132 0.000 2.381 505 L HA 0.856 5.197 4.340 0.002 0.000 0.268 505 L C -0.464 176.276 176.870 -0.216 0.000 0.997 505 L CA -0.533 54.195 54.840 -0.186 0.000 0.818 505 L CB 1.917 43.841 42.059 -0.225 0.000 1.310 505 L HN 0.740 nan 8.230 nan 0.000 0.416 506 Q N 2.858 122.512 119.800 -0.243 0.000 2.322 506 Q HA 0.589 4.931 4.340 0.002 0.000 0.265 506 Q C -1.356 174.457 176.000 -0.313 0.000 0.985 506 Q CA -0.560 55.108 55.803 -0.225 0.000 0.849 506 Q CB 1.750 30.392 28.738 -0.160 0.000 1.274 506 Q HN 0.908 nan 8.270 nan 0.000 0.449 507 M N 4.485 123.919 119.600 -0.275 0.000 2.066 507 M HA 0.323 4.804 4.480 0.002 0.000 0.340 507 M C -1.629 174.609 176.300 -0.104 0.000 1.053 507 M CA -0.402 54.739 55.300 -0.266 0.000 0.983 507 M CB 0.817 33.279 32.600 -0.229 0.000 1.520 507 M HN 0.539 nan 8.290 nan 0.000 0.428 508 D N 7.371 127.740 120.400 -0.051 0.000 2.454 508 D HA 0.406 5.047 4.640 0.002 0.000 0.247 508 D C -0.730 175.588 176.300 0.031 0.000 1.129 508 D CA -0.024 53.969 54.000 -0.012 0.000 0.877 508 D CB 1.113 41.901 40.800 -0.021 0.000 1.082 508 D HN 0.542 nan 8.370 nan 0.000 0.537 509 I N 1.044 121.634 120.570 0.034 0.000 2.377 509 I HA 0.262 4.434 4.170 0.002 0.000 0.293 509 I C 1.396 177.531 176.117 0.030 0.000 0.987 509 I CA -0.644 60.681 61.300 0.041 0.000 1.185 509 I CB 2.030 40.052 38.000 0.036 0.000 1.341 509 I HN -0.047 nan 8.210 nan 0.000 0.455 510 K N 5.154 125.573 120.400 0.032 0.000 2.352 510 K HA 0.289 4.610 4.320 0.002 0.000 0.194 510 K C 0.179 176.793 176.600 0.022 0.000 1.038 510 K CA 0.477 56.786 56.287 0.037 0.000 1.023 510 K CB 0.308 32.837 32.500 0.049 0.000 0.840 510 K HN 0.603 nan 8.250 nan 0.000 0.519 511 I N -0.626 119.950 120.570 0.008 0.000 2.603 511 I HA 0.296 4.468 4.170 0.002 0.000 0.300 511 I C -0.737 175.364 176.117 -0.027 0.000 1.017 511 I CA -1.177 60.119 61.300 -0.008 0.000 1.098 511 I CB 1.832 39.830 38.000 -0.004 0.000 1.279 511 I HN -0.054 nan 8.210 nan 0.000 0.437 512 E N 3.218 123.393 120.200 -0.042 0.000 2.197 512 E HA 0.652 5.004 4.350 0.002 0.000 0.281 512 E C 0.376 176.944 176.600 -0.054 0.000 0.995 512 E CA -0.714 55.653 56.400 -0.056 0.000 0.808 512 E CB 1.494 31.149 29.700 -0.076 0.000 1.093 512 E HN 1.145 nan 8.360 nan 0.000 0.394 513 G N 3.268 112.031 108.800 -0.061 0.000 2.174 513 G HA2 -0.112 3.850 3.960 0.002 0.000 0.140 513 G HA3 -0.112 3.850 3.960 0.002 0.000 0.140 513 G C -0.102 174.748 174.900 -0.085 0.000 1.031 513 G CA -0.562 44.500 45.100 -0.064 0.000 0.728 513 G HN 0.447 nan 8.290 nan 0.000 0.496 514 I N 2.713 123.226 120.570 -0.094 0.000 2.634 514 I HA 0.413 4.585 4.170 0.002 0.000 0.284 514 I C 1.202 177.232 176.117 -0.145 0.000 1.124 514 I CA 0.427 61.654 61.300 -0.121 0.000 1.417 514 I CB 0.477 38.419 38.000 -0.097 0.000 1.396 514 I HN 0.335 nan 8.210 nan 0.000 0.571 515 T N 1.349 115.799 114.554 -0.173 0.000 2.942 515 T HA 0.547 4.899 4.350 0.002 0.000 0.289 515 T C 0.835 175.437 174.700 -0.162 0.000 1.044 515 T CA -0.468 61.534 62.100 -0.163 0.000 1.023 515 T CB 1.769 70.542 68.868 -0.159 0.000 1.123 515 T HN 0.611 nan 8.240 nan 0.000 0.512 516 K N 0.054 120.378 120.400 -0.127 0.000 2.288 516 K HA 0.043 4.365 4.320 0.002 0.000 0.201 516 K C 2.170 178.711 176.600 -0.098 0.000 1.048 516 K CA 1.608 57.836 56.287 -0.098 0.000 0.956 516 K CB -1.044 31.417 32.500 -0.065 0.000 0.746 516 K HN 0.659 nan 8.250 nan 0.000 0.461 517 E N 0.534 120.665 120.200 -0.115 0.000 2.072 517 E HA -0.061 4.290 4.350 0.002 0.000 0.190 517 E C 1.931 178.435 176.600 -0.161 0.000 0.982 517 E CA 1.223 57.560 56.400 -0.105 0.000 0.803 517 E CB -0.377 29.271 29.700 -0.087 0.000 0.755 517 E HN 0.821 nan 8.360 nan 0.000 0.453 518 I N -2.395 117.994 120.570 -0.302 0.000 3.251 518 I HA 0.161 4.332 4.170 0.002 0.000 0.277 518 I C 2.395 178.322 176.117 -0.317 0.000 1.268 518 I CA 0.986 62.008 61.300 -0.464 0.000 1.449 518 I CB -0.179 37.289 38.000 -0.888 0.000 1.083 518 I HN 0.180 nan 8.210 nan 0.000 0.464 519 M N 0.971 120.426 119.600 -0.242 0.000 2.254 519 M HA -0.131 4.350 4.480 0.002 0.000 0.265 519 M C 2.302 178.503 176.300 -0.165 0.000 1.066 519 M CA 1.751 56.918 55.300 -0.221 0.000 1.123 519 M CB -0.372 32.170 32.600 -0.097 0.000 1.388 519 M HN 0.367 nan 8.290 nan 0.000 0.425 520 Q N -0.812 118.928 119.800 -0.100 0.000 2.119 520 Q HA -0.129 4.213 4.340 0.002 0.000 0.201 520 Q C 1.719 177.692 176.000 -0.045 0.000 0.972 520 Q CA 1.701 57.477 55.803 -0.046 0.000 0.847 520 Q CB 0.061 28.786 28.738 -0.023 0.000 0.903 520 Q HN 0.437 nan 8.270 nan 0.000 0.433 521 V N 0.724 120.607 119.914 -0.051 0.000 2.358 521 V HA -0.207 3.915 4.120 0.002 0.000 0.246 521 V C 2.282 178.338 176.094 -0.063 0.000 1.047 521 V CA 1.692 63.985 62.300 -0.011 0.000 1.035 521 V CB -0.911 30.969 31.823 0.096 0.000 0.658 521 V HN 0.453 nan 8.190 nan 0.000 0.452 522 A N -0.369 122.338 122.820 -0.188 0.000 2.014 522 A HA -0.092 4.229 4.320 0.002 0.000 0.218 522 A C 2.102 179.577 177.584 -0.182 0.000 1.163 522 A CA 1.621 53.466 52.037 -0.321 0.000 0.652 522 A CB -0.363 18.146 19.000 -0.818 0.000 0.808 522 A HN 0.454 nan 8.150 nan 0.000 0.449 523 L N -0.140 121.029 121.223 -0.089 0.000 2.162 523 L HA 0.035 4.376 4.340 0.002 0.000 0.205 523 L C 1.847 178.753 176.870 0.059 0.000 1.086 523 L CA 2.186 57.078 54.840 0.087 0.000 0.778 523 L CB -0.589 41.529 42.059 0.098 0.000 0.928 523 L HN 0.387 nan 8.230 nan 0.000 0.446 524 N N -0.640 118.072 118.700 0.022 0.000 2.250 524 N HA -0.214 4.528 4.740 0.002 0.000 0.181 524 N C 1.901 177.425 175.510 0.024 0.000 1.017 524 N CA 1.435 54.498 53.050 0.023 0.000 0.866 524 N CB -0.097 38.399 38.487 0.014 0.000 0.985 524 N HN 0.545 nan 8.380 nan 0.000 0.429 525 Q N -0.701 119.108 119.800 0.015 0.000 2.230 525 Q HA 0.057 4.398 4.340 0.002 0.000 0.202 525 Q C 1.615 177.636 176.000 0.034 0.000 0.963 525 Q CA 1.136 56.949 55.803 0.016 0.000 0.866 525 Q CB -0.094 28.645 28.738 0.003 0.000 0.931 525 Q HN 0.445 nan 8.270 nan 0.000 0.452 526 A N 0.594 123.447 122.820 0.055 0.000 2.014 526 A HA -0.115 4.207 4.320 0.002 0.000 0.218 526 A C 2.172 179.797 177.584 0.068 0.000 1.163 526 A CA 1.667 53.753 52.037 0.081 0.000 0.652 526 A CB -0.694 18.387 19.000 0.136 0.000 0.808 526 A HN 0.421 nan 8.150 nan 0.000 0.449 527 K N -0.784 119.651 120.400 0.057 0.000 2.167 527 K HA 0.141 4.462 4.320 0.002 0.000 0.203 527 K C 2.225 178.854 176.600 0.049 0.000 1.052 527 K CA 1.421 57.736 56.287 0.048 0.000 0.956 527 K CB -1.542 30.982 32.500 0.039 0.000 0.735 527 K HN 0.590 nan 8.250 nan 0.000 0.451 528 G N 0.410 109.237 108.800 0.045 0.000 2.408 528 G HA2 0.085 4.046 3.960 0.002 0.000 0.217 528 G HA3 0.085 4.046 3.960 0.002 0.000 0.217 528 G C 1.929 176.870 174.900 0.067 0.000 1.150 528 G CA 1.190 46.318 45.100 0.047 0.000 0.776 528 G HN 0.735 nan 8.290 nan 0.000 0.542 529 A N 0.303 123.161 122.820 0.063 0.000 2.016 529 A HA 0.175 4.497 4.320 0.002 0.000 0.217 529 A C 2.257 179.919 177.584 0.130 0.000 1.162 529 A CA 1.428 53.516 52.037 0.084 0.000 0.662 529 A CB -0.305 18.730 19.000 0.059 0.000 0.812 529 A HN 0.332 nan 8.150 nan 0.000 0.450 530 R N -0.315 120.242 120.500 0.095 0.000 2.092 530 R HA 0.024 4.366 4.340 0.002 0.000 0.231 530 R C 1.670 178.018 176.300 0.081 0.000 1.119 530 R CA 1.173 57.321 56.100 0.080 0.000 0.970 530 R CB -0.320 30.011 30.300 0.051 0.000 0.864 530 R HN 0.509 nan 8.270 nan 0.000 0.440 531 L N -1.000 120.274 121.223 0.084 0.000 2.217 531 L HA -0.114 4.228 4.340 0.002 0.000 0.211 531 L C 2.230 179.157 176.870 0.095 0.000 1.107 531 L CA 1.098 55.981 54.840 0.073 0.000 0.783 531 L CB -0.383 41.713 42.059 0.063 0.000 0.919 531 L HN 0.320 nan 8.230 nan 0.000 0.442 532 H N 0.175 119.271 119.070 0.043 0.000 2.395 532 H HA -0.087 4.471 4.556 0.003 0.000 0.299 532 H C 2.163 177.533 175.328 0.070 0.000 1.070 532 H CA 1.323 57.401 56.048 0.050 0.000 1.356 532 H CB 0.329 30.120 29.762 0.048 0.000 1.401 532 H HN 0.060 nan 8.280 nan 0.000 0.524 533 I N 0.290 120.946 120.570 0.144 0.000 2.252 533 I HA -0.217 3.955 4.170 0.002 0.000 0.245 533 I C 2.185 178.343 176.117 0.068 0.000 1.102 533 I CA 1.045 62.428 61.300 0.139 0.000 1.385 533 I CB -1.014 37.090 38.000 0.174 0.000 1.064 533 I HN 0.355 nan 8.210 nan 0.000 0.414 534 L N 0.613 121.858 121.223 0.036 0.000 2.217 534 L HA -0.049 4.292 4.340 0.002 0.000 0.211 534 L C 2.609 179.475 176.870 -0.005 0.000 1.107 534 L CA 1.075 55.923 54.840 0.013 0.000 0.783 534 L CB -0.892 41.172 42.059 0.009 0.000 0.919 534 L HN 0.269 nan 8.230 nan 0.000 0.442 535 G N -0.550 108.229 108.800 -0.036 0.000 2.443 535 G HA2 -0.131 3.831 3.960 0.002 0.000 0.219 535 G HA3 -0.131 3.831 3.960 0.002 0.000 0.219 535 G C 1.459 176.319 174.900 -0.067 0.000 1.131 535 G CA 0.867 45.930 45.100 -0.061 0.000 0.775 535 G HN 0.246 nan 8.290 nan 0.000 0.547 536 V N 0.269 120.141 119.914 -0.070 0.000 2.825 536 V HA 0.081 4.202 4.120 0.002 0.000 0.246 536 V C 2.677 178.788 176.094 0.028 0.000 1.068 536 V CA 1.012 63.293 62.300 -0.033 0.000 1.088 536 V CB -0.131 31.668 31.823 -0.040 0.000 0.733 536 V HN 0.297 nan 8.190 nan 0.000 0.468 537 M N -0.132 119.500 119.600 0.053 0.000 2.175 537 M HA -0.130 4.351 4.480 0.002 0.000 0.264 537 M C 2.081 178.400 176.300 0.032 0.000 1.063 537 M CA 1.753 57.094 55.300 0.067 0.000 1.119 537 M CB -0.288 32.346 32.600 0.056 0.000 1.377 537 M HN 0.322 nan 8.290 nan 0.000 0.415 538 E N -0.280 119.928 120.200 0.014 0.000 2.358 538 E HA -0.186 4.166 4.350 0.002 0.000 0.195 538 E C 1.887 178.490 176.600 0.005 0.000 1.010 538 E CA 0.469 56.873 56.400 0.006 0.000 0.856 538 E CB -0.017 29.683 29.700 -0.000 0.000 0.795 538 E HN 0.522 nan 8.360 nan 0.000 0.504 539 Q N 0.371 120.174 119.800 0.005 0.000 2.172 539 Q HA -0.122 4.219 4.340 0.002 0.000 0.200 539 Q C 1.909 177.914 176.000 0.009 0.000 0.964 539 Q CA 1.223 57.028 55.803 0.003 0.000 0.855 539 Q CB 0.079 28.814 28.738 -0.004 0.000 0.918 539 Q HN 0.231 nan 8.270 nan 0.000 0.444 540 A N 0.829 123.659 122.820 0.017 0.000 1.844 540 A HA 0.166 4.488 4.320 0.002 0.000 0.212 540 A C 1.044 178.638 177.584 0.018 0.000 1.221 540 A CA 0.886 52.936 52.037 0.021 0.000 0.607 540 A CB -0.024 18.996 19.000 0.034 0.000 0.878 540 A HN 0.484 nan 8.150 nan 0.000 0.451 541 I N -3.495 117.086 120.570 0.019 0.000 2.582 541 I HA 0.598 4.769 4.170 0.002 0.000 0.292 541 I C -0.574 175.548 176.117 0.008 0.000 1.066 541 I CA -0.869 60.439 61.300 0.013 0.000 1.053 541 I CB 2.337 40.346 38.000 0.015 0.000 1.241 541 I HN 0.214 nan 8.210 nan 0.000 0.421 542 N N 3.358 122.060 118.700 0.003 0.000 2.145 542 N HA 0.460 5.202 4.740 0.002 0.000 0.219 542 N C -0.394 175.113 175.510 -0.005 0.000 1.266 542 N CA 0.000 53.049 53.050 -0.001 0.000 0.902 542 N CB 1.304 39.790 38.487 -0.000 0.000 1.078 542 N HN 0.820 nan 8.380 nan 0.000 0.513 543 A N 0.870 123.687 122.820 -0.005 0.000 2.455 543 A HA 0.725 5.046 4.320 0.002 0.000 0.300 543 A C -2.533 175.045 177.584 -0.011 0.000 1.040 543 A CA -1.004 51.029 52.037 -0.008 0.000 0.697 543 A CB 1.108 20.105 19.000 -0.004 0.000 1.265 543 A HN 0.157 nan 8.150 nan 0.000 0.407 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 544 P CB 0.000 31.669 31.700 -0.052 0.000 0.726