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 3ihb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTGAEKPGTG WDAAVYPRWQ EAAADRAALS AATGGGAVHE AAAAAARDEN DATA SEQUENCE DGPIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPERILPL 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 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 R N 0.935 121.450 120.500 0.024 0.000 2.428 2 R HA 0.499 4.865 4.340 0.044 0.000 0.294 2 R C -0.634 175.701 176.300 0.058 0.000 1.000 2 R CA -0.720 55.413 56.100 0.054 0.000 0.960 2 R CB 0.909 31.243 30.300 0.057 0.000 1.076 2 R HN 0.797 nan 8.270 nan 0.000 0.475 3 H N 4.401 123.483 119.070 0.021 0.000 3.004 3 H HA 0.034 4.616 4.556 0.043 0.000 0.316 3 H C -1.482 173.833 175.328 -0.022 0.000 1.014 3 H CA -1.463 54.584 56.048 -0.002 0.000 1.454 3 H CB 1.434 31.207 29.762 0.017 0.000 1.472 3 H HN 0.558 nan 8.280 nan 0.000 0.571 4 P HA -0.118 nan 4.420 nan 0.000 0.225 4 P C 1.709 179.109 177.300 0.166 0.000 1.156 4 P CA 0.346 63.504 63.100 0.097 0.000 0.787 4 P CB 0.596 32.308 31.700 0.019 0.000 0.802 5 I N 1.945 122.638 120.570 0.204 0.000 2.142 5 I HA -0.129 4.067 4.170 0.044 0.000 0.240 5 I C -0.340 175.818 176.117 0.068 0.000 1.078 5 I CA 1.742 63.046 61.300 0.008 0.000 1.343 5 I CB -2.818 34.893 38.000 -0.483 0.000 1.046 5 I HN 0.053 nan 8.210 nan 0.000 0.405 6 P HA -0.144 nan 4.420 nan 0.000 0.219 6 P C 0.934 178.292 177.300 0.097 0.000 1.146 6 P CA 1.462 64.606 63.100 0.073 0.000 0.808 6 P CB -0.061 31.687 31.700 0.080 0.000 0.779 7 D N -1.284 119.182 120.400 0.110 0.000 2.183 7 D HA -0.156 4.511 4.640 0.044 0.000 0.203 7 D C 1.943 178.300 176.300 0.096 0.000 0.969 7 D CA 0.865 54.917 54.000 0.087 0.000 0.842 7 D CB -0.974 39.877 40.800 0.085 0.000 0.957 7 D HN 0.226 nan 8.370 nan 0.000 0.484 8 Y N 1.413 121.748 120.300 0.059 0.000 2.181 8 Y HA -0.148 4.429 4.550 0.045 0.000 0.288 8 Y C 2.071 177.988 175.900 0.029 0.000 1.146 8 Y CA 1.332 59.471 58.100 0.065 0.000 1.164 8 Y CB -0.348 38.217 38.460 0.174 0.000 0.982 8 Y HN -0.106 nan 8.280 nan 0.000 0.515 9 L N -0.032 121.265 121.223 0.124 0.000 2.046 9 L HA -0.234 4.133 4.340 0.044 0.000 0.208 9 L C 2.829 179.621 176.870 -0.130 0.000 1.077 9 L CA 1.213 56.055 54.840 0.003 0.000 0.747 9 L CB -1.030 41.092 42.059 0.105 0.000 0.896 9 L HN 0.378 nan 8.230 nan 0.000 0.432 10 A N -0.778 121.995 122.820 -0.078 0.000 1.902 10 A HA -0.185 4.161 4.320 0.044 0.000 0.217 10 A C 2.515 180.026 177.584 -0.122 0.000 1.181 10 A CA 2.053 54.037 52.037 -0.088 0.000 0.623 10 A CB -0.562 18.417 19.000 -0.036 0.000 0.818 10 A HN 0.361 nan 8.150 nan 0.000 0.443 11 S N -0.638 114.970 115.700 -0.152 0.000 2.368 11 S HA -0.115 4.381 4.470 0.044 0.000 0.224 11 S C 1.850 176.322 174.600 -0.214 0.000 1.029 11 S CA 1.373 59.473 58.200 -0.167 0.000 0.988 11 S CB -0.380 62.709 63.200 -0.185 0.000 0.838 11 S HN 0.456 nan 8.310 nan 0.000 0.462 12 L N 1.735 122.749 121.223 -0.349 0.000 2.046 12 L HA -0.026 4.341 4.340 0.044 0.000 0.208 12 L C 2.185 178.977 176.870 -0.131 0.000 1.077 12 L CA 1.460 56.120 54.840 -0.300 0.000 0.747 12 L CB -0.681 41.125 42.059 -0.422 0.000 0.896 12 L HN 0.112 nan 8.230 nan 0.000 0.432 13 V N -0.892 118.900 119.914 -0.202 0.000 2.343 13 V HA -0.315 3.831 4.120 0.044 0.000 0.247 13 V C 2.447 178.550 176.094 0.015 0.000 1.051 13 V CA 2.282 64.438 62.300 -0.240 0.000 1.036 13 V CB -0.878 30.727 31.823 -0.364 0.000 0.654 13 V HN 0.534 nan 8.190 nan 0.000 0.451 14 T N -0.875 113.662 114.554 -0.028 0.000 2.777 14 T HA -0.200 4.176 4.350 0.044 0.000 0.266 14 T C 1.853 176.566 174.700 0.021 0.000 1.040 14 T CA 1.706 63.810 62.100 0.006 0.000 1.141 14 T CB -0.118 68.737 68.868 -0.022 0.000 0.868 14 T HN 0.622 nan 8.240 nan 0.000 0.444 15 E N 0.744 120.942 120.200 -0.004 0.000 2.015 15 E HA -0.070 4.306 4.350 0.044 0.000 0.191 15 E C 2.052 178.671 176.600 0.031 0.000 0.991 15 E CA 0.901 57.299 56.400 -0.004 0.000 0.802 15 E CB -0.154 29.522 29.700 -0.039 0.000 0.759 15 E HN 0.406 nan 8.360 nan 0.000 0.447 16 L N -0.077 121.195 121.223 0.083 0.000 2.376 16 L HA 0.026 4.392 4.340 0.044 0.000 0.219 16 L C 2.345 179.265 176.870 0.082 0.000 1.133 16 L CA 0.669 55.568 54.840 0.098 0.000 0.816 16 L CB -0.245 41.923 42.059 0.182 0.000 0.933 16 L HN 0.250 nan 8.230 nan 0.000 0.449 17 G N -0.422 108.487 108.800 0.181 0.000 2.848 17 G HA2 0.001 3.987 3.960 0.044 0.000 0.208 17 G HA3 0.001 3.987 3.960 0.044 0.000 0.208 17 G C 1.689 176.608 174.900 0.032 0.000 1.152 17 G CA 0.569 45.749 45.100 0.134 0.000 0.789 17 G HN 0.405 nan 8.290 nan 0.000 0.531 18 A N -0.226 122.604 122.820 0.018 0.000 2.070 18 A HA 0.333 4.679 4.320 0.044 0.000 0.220 18 A C 1.305 178.876 177.584 -0.022 0.000 1.159 18 A CA 1.570 53.606 52.037 -0.002 0.000 0.656 18 A CB -0.352 18.645 19.000 -0.004 0.000 0.800 18 A HN 0.933 nan 8.150 nan 0.000 0.453 19 V N -4.844 115.045 119.914 -0.042 0.000 3.167 19 V HA 0.807 4.953 4.120 0.044 0.000 0.310 19 V C -0.793 175.241 176.094 -0.100 0.000 1.207 19 V CA -0.902 61.362 62.300 -0.059 0.000 1.059 19 V CB 1.941 33.733 31.823 -0.053 0.000 1.079 19 V HN 0.118 nan 8.190 nan 0.000 0.446 20 N N 1.597 120.236 118.700 -0.101 0.000 2.805 20 N HA 0.411 5.177 4.740 0.044 0.000 0.216 20 N C -2.763 172.682 175.510 -0.109 0.000 1.447 20 N CA -0.581 52.386 53.050 -0.137 0.000 0.785 20 N CB 0.928 39.334 38.487 -0.134 0.000 1.458 20 N HN 0.857 nan 8.380 nan 0.000 0.547 21 P HA 0.614 nan 4.420 nan 0.000 0.276 21 P C 0.605 177.859 177.300 -0.077 0.000 1.252 21 P CA 0.371 63.427 63.100 -0.073 0.000 0.802 21 P CB 0.937 32.602 31.700 -0.059 0.000 1.035 22 G N 0.631 109.397 108.800 -0.057 0.000 2.500 22 G HA2 -0.049 3.937 3.960 0.044 0.000 0.209 22 G HA3 -0.049 3.937 3.960 0.044 0.000 0.209 22 G C -1.408 173.461 174.900 -0.052 0.000 1.283 22 G CA -0.581 44.487 45.100 -0.053 0.000 0.960 22 G HN 0.653 nan 8.290 nan 0.000 0.528 23 E N -0.912 119.259 120.200 -0.049 0.000 2.408 23 E HA 0.581 4.957 4.350 0.044 0.000 0.275 23 E C -0.107 176.460 176.600 -0.055 0.000 0.935 23 E CA -0.417 55.955 56.400 -0.046 0.000 0.775 23 E CB 1.950 31.632 29.700 -0.030 0.000 1.277 23 E HN 0.884 nan 8.360 nan 0.000 0.455 24 T N -1.420 113.099 114.554 -0.058 0.000 2.899 24 T HA 0.473 4.850 4.350 0.044 0.000 0.295 24 T C 0.500 175.154 174.700 -0.078 0.000 1.033 24 T CA -0.824 61.236 62.100 -0.067 0.000 1.084 24 T CB 1.052 69.884 68.868 -0.059 0.000 0.979 24 T HN 0.548 nan 8.240 nan 0.000 0.532 25 A N 2.608 125.359 122.820 -0.114 0.000 2.540 25 A HA 0.096 4.443 4.320 0.044 0.000 0.264 25 A C 1.531 178.983 177.584 -0.219 0.000 1.080 25 A CA -0.352 51.558 52.037 -0.211 0.000 0.776 25 A CB -0.159 18.635 19.000 -0.344 0.000 1.011 25 A HN 0.847 nan 8.150 nan 0.000 0.514 26 Q N 2.027 121.748 119.800 -0.131 0.000 2.163 26 Q HA -0.119 4.247 4.340 0.044 0.000 0.198 26 Q C 1.326 177.308 176.000 -0.030 0.000 0.954 26 Q CA 1.790 57.562 55.803 -0.053 0.000 0.851 26 Q CB -0.380 28.372 28.738 0.023 0.000 0.928 26 Q HN 1.118 nan 8.270 nan 0.000 0.459 27 Y N -0.499 119.798 120.300 -0.004 0.000 2.621 27 Y HA 0.309 4.884 4.550 0.043 0.000 0.330 27 Y C 0.132 176.030 175.900 -0.003 0.000 1.219 27 Y CA 0.015 58.112 58.100 -0.004 0.000 1.286 27 Y CB -0.468 37.990 38.460 -0.005 0.000 1.053 27 Y HN -0.129 nan 8.280 nan 0.000 0.498 28 I N 2.656 123.157 120.570 -0.115 0.000 2.588 28 I HA 0.150 4.346 4.170 0.044 0.000 0.278 28 I C -1.718 174.356 176.117 -0.072 0.000 1.144 28 I CA -2.061 59.191 61.300 -0.079 0.000 1.074 28 I CB 2.102 40.015 38.000 -0.146 0.000 1.235 28 I HN -0.205 nan 8.210 nan 0.000 0.472 29 P HA -0.283 nan 4.420 nan 0.000 0.219 29 P C 1.667 178.954 177.300 -0.022 0.000 1.158 29 P CA 1.479 64.568 63.100 -0.019 0.000 0.895 29 P CB 0.608 32.306 31.700 -0.003 0.000 0.792 30 V N -0.465 119.438 119.914 -0.018 0.000 2.469 30 V HA -0.203 3.943 4.120 0.044 0.000 0.251 30 V C 2.546 178.632 176.094 -0.014 0.000 1.064 30 V CA 1.631 63.926 62.300 -0.008 0.000 1.066 30 V CB -0.982 30.841 31.823 0.001 0.000 0.667 30 V HN 0.000 nan 8.190 nan 0.000 0.461 31 L N -0.447 120.750 121.223 -0.044 0.000 2.249 31 L HA 0.138 4.504 4.340 0.044 0.000 0.207 31 L C 2.646 179.483 176.870 -0.055 0.000 1.090 31 L CA 1.042 55.852 54.840 -0.050 0.000 0.802 31 L CB -0.648 41.349 42.059 -0.104 0.000 0.947 31 L HN 0.375 nan 8.230 nan 0.000 0.453 32 A N -0.360 122.421 122.820 -0.065 0.000 2.014 32 A HA -0.117 4.229 4.320 0.044 0.000 0.218 32 A C 2.027 179.593 177.584 -0.029 0.000 1.163 32 A CA 1.125 53.130 52.037 -0.053 0.000 0.652 32 A CB -0.129 18.843 19.000 -0.047 0.000 0.808 32 A HN 0.283 nan 8.150 nan 0.000 0.449 33 E N 0.117 120.307 120.200 -0.017 0.000 2.442 33 E HA 0.232 4.609 4.350 0.044 0.000 0.195 33 E C 0.986 177.589 176.600 0.004 0.000 1.030 33 E CA 0.543 56.940 56.400 -0.005 0.000 0.869 33 E CB -0.445 29.255 29.700 0.001 0.000 0.857 33 E HN 0.548 nan 8.360 nan 0.000 0.505 34 A N 2.117 124.942 122.820 0.009 0.000 2.507 34 A HA -0.052 4.295 4.320 0.044 0.000 0.235 34 A C 0.181 177.777 177.584 0.020 0.000 1.070 34 A CA -0.142 51.914 52.037 0.032 0.000 0.768 34 A CB 0.050 19.083 19.000 0.055 0.000 1.011 34 A HN -0.024 nan 8.150 nan 0.000 0.502 35 D N 1.806 122.227 120.400 0.035 0.000 2.382 35 D HA 0.190 4.856 4.640 0.044 0.000 0.259 35 D C -1.042 175.248 176.300 -0.018 0.000 1.224 35 D CA -1.407 52.602 54.000 0.016 0.000 0.894 35 D CB 0.810 41.630 40.800 0.034 0.000 1.127 35 D HN 0.226 nan 8.370 nan 0.000 0.487 36 P HA -0.051 nan 4.420 nan 0.000 0.229 36 P C 0.165 177.398 177.300 -0.111 0.000 1.160 36 P CA 0.265 63.310 63.100 -0.093 0.000 0.777 36 P CB 0.298 31.952 31.700 -0.077 0.000 0.814 37 D N 1.245 121.606 120.400 -0.066 0.000 2.801 37 D HA 0.107 4.773 4.640 0.044 0.000 0.232 37 D C -0.240 176.035 176.300 -0.041 0.000 1.128 37 D CA -0.013 53.956 54.000 -0.051 0.000 1.003 37 D CB -0.459 40.329 40.800 -0.020 0.000 1.110 37 D HN 0.087 nan 8.370 nan 0.000 0.477 38 R N 1.350 121.788 120.500 -0.104 0.000 2.626 38 R HA 0.493 4.859 4.340 0.044 0.000 0.274 38 R C -1.471 174.757 176.300 -0.120 0.000 1.031 38 R CA -0.915 55.123 56.100 -0.103 0.000 0.898 38 R CB 1.927 32.136 30.300 -0.153 0.000 1.222 38 R HN 0.073 nan 8.270 nan 0.000 0.455 39 F N 0.832 120.664 119.950 -0.197 0.000 2.881 39 F HA 0.526 5.078 4.527 0.041 0.000 0.348 39 F C -1.292 174.496 175.800 -0.019 0.000 1.240 39 F CA -0.639 57.264 58.000 -0.162 0.000 1.130 39 F CB 1.696 40.625 39.000 -0.118 0.000 1.417 39 F HN 0.624 nan 8.300 nan 0.000 0.585 40 G N 4.982 113.845 108.800 0.106 0.000 2.619 40 G HA2 0.771 4.757 3.960 0.044 0.000 0.296 40 G HA3 0.771 4.757 3.960 0.044 0.000 0.296 40 G C -2.155 172.752 174.900 0.010 0.000 1.334 40 G CA -0.925 44.182 45.100 0.012 0.000 0.934 40 G HN 0.801 nan 8.290 nan 0.000 0.476 41 I N -0.177 120.379 120.570 -0.023 0.000 2.775 41 I HA 0.727 4.924 4.170 0.044 0.000 0.295 41 I C -1.017 175.142 176.117 0.070 0.000 1.287 41 I CA -0.918 60.404 61.300 0.037 0.000 1.029 41 I CB 2.126 40.110 38.000 -0.028 0.000 1.282 41 I HN 0.901 nan 8.210 nan 0.000 0.426 42 A N 7.374 130.258 122.820 0.106 0.000 2.539 42 A HA 0.862 5.208 4.320 0.044 0.000 0.296 42 A C -2.036 175.614 177.584 0.110 0.000 1.073 42 A CA -0.555 51.542 52.037 0.100 0.000 0.700 42 A CB 1.872 20.921 19.000 0.082 0.000 1.296 42 A HN 0.622 nan 8.150 nan 0.000 0.405 43 L N 1.255 122.540 121.223 0.104 0.000 2.381 43 L HA 0.721 5.087 4.340 0.044 0.000 0.274 43 L C 0.070 176.952 176.870 0.020 0.000 0.988 43 L CA -0.667 54.232 54.840 0.100 0.000 0.824 43 L CB 2.053 44.213 42.059 0.169 0.000 1.263 43 L HN 0.867 nan 8.230 nan 0.000 0.410 44 A N 1.722 124.545 122.820 0.005 0.000 2.303 44 A HA 0.715 5.061 4.320 0.044 0.000 0.320 44 A C 0.118 177.677 177.584 -0.040 0.000 1.192 44 A CA -0.474 51.533 52.037 -0.049 0.000 0.821 44 A CB 1.167 20.145 19.000 -0.037 0.000 1.188 44 A HN 0.694 nan 8.150 nan 0.000 0.492 45 T N 0.432 114.941 114.554 -0.074 0.000 2.847 45 T HA 0.496 4.872 4.350 0.044 0.000 0.279 45 T C -1.935 172.745 174.700 -0.032 0.000 0.984 45 T CA -1.449 60.628 62.100 -0.039 0.000 0.988 45 T CB 0.881 69.725 68.868 -0.039 0.000 1.040 45 T HN 0.241 nan 8.240 nan 0.000 0.528 46 P HA -0.023 nan 4.420 nan 0.000 0.217 46 P C 1.598 178.893 177.300 -0.009 0.000 1.150 46 P CA 1.198 64.291 63.100 -0.011 0.000 0.832 46 P CB -0.218 31.482 31.700 0.000 0.000 0.787 47 T N -5.340 109.210 114.554 -0.006 0.000 3.113 47 T HA 0.291 4.667 4.350 0.044 0.000 0.256 47 T C 1.362 176.060 174.700 -0.004 0.000 1.131 47 T CA 0.590 62.690 62.100 0.001 0.000 1.074 47 T CB -0.637 68.236 68.868 0.008 0.000 0.944 47 T HN 0.231 nan 8.240 nan 0.000 0.516 48 G N 0.807 109.594 108.800 -0.022 0.000 2.145 48 G HA2 -0.114 3.872 3.960 0.044 0.000 0.145 48 G HA3 -0.114 3.872 3.960 0.044 0.000 0.145 48 G C -0.162 174.701 174.900 -0.061 0.000 1.017 48 G CA -0.870 44.216 45.100 -0.024 0.000 0.682 48 G HN 0.545 nan 8.290 nan 0.000 0.504 49 R N -0.776 119.657 120.500 -0.112 0.000 2.598 49 R HA 0.901 5.267 4.340 0.044 0.000 0.279 49 R C -0.409 175.692 176.300 -0.331 0.000 0.984 49 R CA -1.086 54.879 56.100 -0.225 0.000 0.999 49 R CB 1.424 31.562 30.300 -0.270 0.000 1.114 49 R HN 0.394 nan 8.270 nan 0.000 0.493 50 L N 2.378 123.348 121.223 -0.422 0.000 2.504 50 L HA 0.390 4.756 4.340 0.044 0.000 0.265 50 L C -1.484 175.172 176.870 -0.357 0.000 0.975 50 L CA -0.236 54.404 54.840 -0.333 0.000 0.864 50 L CB 0.973 42.946 42.059 -0.143 0.000 1.212 50 L HN 0.616 nan 8.230 nan 0.000 0.416 51 H N 3.676 122.715 119.070 -0.051 0.000 2.463 51 H HA 0.807 5.388 4.556 0.042 0.000 0.332 51 H C -0.196 175.132 175.328 0.001 0.000 1.127 51 H CA -0.326 55.694 56.048 -0.046 0.000 1.238 51 H CB 1.719 31.437 29.762 -0.073 0.000 1.478 51 H HN 0.875 nan 8.280 nan 0.000 0.499 52 C N 0.319 119.697 119.300 0.130 0.000 3.320 52 C HA 0.982 5.468 4.460 0.044 0.000 0.335 52 C C -0.782 174.240 174.990 0.054 0.000 1.430 52 C CA -0.534 58.534 59.018 0.082 0.000 1.271 52 C CB 1.093 28.867 27.740 0.057 0.000 1.609 52 C HN 1.096 nan 8.230 nan 0.000 0.457 53 A N 0.035 122.865 122.820 0.018 0.000 2.597 53 A HA 0.989 5.335 4.320 0.044 0.000 0.292 53 A C 0.186 177.737 177.584 -0.056 0.000 1.057 53 A CA 0.862 52.886 52.037 -0.022 0.000 0.674 53 A CB 0.285 19.253 19.000 -0.052 0.000 1.278 53 A HN 3.298 nan 8.150 nan 0.000 0.416 54 G N 0.438 109.202 108.800 -0.060 0.000 2.601 54 G HA2 -0.130 3.856 3.960 0.044 0.000 0.261 54 G HA3 -0.130 3.856 3.960 0.044 0.000 0.261 54 G C -0.415 174.498 174.900 0.023 0.000 1.289 54 G CA 0.224 45.291 45.100 -0.056 0.000 0.920 54 G HN 1.150 nan 8.290 nan 0.000 0.571 55 D N 1.656 122.100 120.400 0.074 0.000 2.597 55 D HA 0.365 5.032 4.640 0.044 0.000 0.228 55 D C 1.216 177.653 176.300 0.229 0.000 1.120 55 D CA 0.824 54.923 54.000 0.166 0.000 1.083 55 D CB 0.029 40.972 40.800 0.238 0.000 1.116 55 D HN 0.872 nan 8.370 nan 0.000 0.487 56 A N 0.850 123.757 122.820 0.145 0.000 2.345 56 A HA 0.028 4.374 4.320 0.044 0.000 0.225 56 A C 1.092 178.739 177.584 0.105 0.000 1.243 56 A CA -0.072 52.052 52.037 0.145 0.000 0.875 56 A CB 0.504 19.561 19.000 0.095 0.000 0.929 56 A HN 0.133 nan 8.150 nan 0.000 0.502 57 D N -0.261 120.195 120.400 0.094 0.000 2.513 57 D HA 0.181 4.847 4.640 0.044 0.000 0.222 57 D C -0.482 175.839 176.300 0.034 0.000 1.210 57 D CA 0.283 54.310 54.000 0.044 0.000 0.825 57 D CB 1.138 41.958 40.800 0.034 0.000 1.037 57 D HN 0.114 nan 8.370 nan 0.000 0.506 58 V N 2.005 121.970 119.914 0.083 0.000 2.406 58 V HA 0.118 4.264 4.120 0.044 0.000 0.272 58 V C 0.644 176.698 176.094 -0.066 0.000 1.043 58 V CA -0.483 61.861 62.300 0.074 0.000 0.915 58 V CB 1.618 33.589 31.823 0.246 0.000 0.988 58 V HN -0.056 nan 8.190 nan 0.000 0.466 59 E N 4.562 124.686 120.200 -0.127 0.000 2.366 59 E HA 0.561 4.937 4.350 0.044 0.000 0.266 59 E C -0.937 175.499 176.600 -0.274 0.000 1.051 59 E CA -0.076 56.136 56.400 -0.312 0.000 0.884 59 E CB 1.156 30.718 29.700 -0.230 0.000 1.006 59 E HN 0.613 nan 8.360 nan 0.000 0.417 60 F N -2.414 117.359 119.950 -0.295 0.000 2.693 60 F HA 0.304 4.856 4.527 0.042 0.000 0.309 60 F C -0.379 175.315 175.800 -0.176 0.000 1.129 60 F CA -1.418 56.428 58.000 -0.256 0.000 0.948 60 F CB 0.376 39.105 39.000 -0.452 0.000 1.315 60 F HN 0.231 nan 8.300 nan 0.000 0.447 61 T N 0.090 114.683 114.554 0.064 0.000 2.888 61 T HA 0.203 4.579 4.350 0.044 0.000 0.301 61 T C 0.918 175.704 174.700 0.143 0.000 1.001 61 T CA -0.291 61.810 62.100 0.001 0.000 1.147 61 T CB 0.967 69.834 68.868 -0.002 0.000 0.931 61 T HN 0.886 nan 8.240 nan 0.000 0.541 62 I N 1.519 122.103 120.570 0.023 0.000 2.676 62 I HA -0.156 4.040 4.170 0.044 0.000 0.259 62 I C 1.301 177.501 176.117 0.137 0.000 1.194 62 I CA 0.768 62.145 61.300 0.128 0.000 1.473 62 I CB -0.216 37.809 38.000 0.041 0.000 1.096 62 I HN 0.762 nan 8.210 nan 0.000 0.443 63 Q N -0.069 119.766 119.800 0.059 0.000 1.795 63 Q HA -0.370 3.996 4.340 0.044 0.000 0.404 63 Q C 1.524 177.567 176.000 0.071 0.000 0.847 63 Q CA 1.859 57.683 55.803 0.035 0.000 0.799 63 Q CB -1.693 27.085 28.738 0.067 0.000 3.822 63 Q HN 0.382 nan 8.270 nan 0.000 0.742 64 S N 0.742 116.507 115.700 0.108 0.000 2.407 64 S HA -0.179 4.317 4.470 0.044 0.000 0.235 64 S C 1.571 176.237 174.600 0.110 0.000 1.036 64 S CA 1.665 59.944 58.200 0.132 0.000 1.013 64 S CB -0.420 62.865 63.200 0.142 0.000 0.820 64 S HN 0.635 nan 8.310 nan 0.000 0.476 65 A N 1.050 123.944 122.820 0.122 0.000 2.225 65 A HA -0.058 4.288 4.320 0.044 0.000 0.215 65 A C 2.159 179.862 177.584 0.198 0.000 1.164 65 A CA 1.555 53.672 52.037 0.134 0.000 0.710 65 A CB -0.606 18.510 19.000 0.194 0.000 0.780 65 A HN 0.631 nan 8.150 nan 0.000 0.473 66 S N -0.519 115.303 115.700 0.203 0.000 2.470 66 S HA -0.034 4.462 4.470 0.044 0.000 0.225 66 S C 1.679 176.416 174.600 0.228 0.000 1.006 66 S CA 0.792 59.172 58.200 0.301 0.000 0.934 66 S CB -0.203 63.103 63.200 0.177 0.000 0.778 66 S HN 0.576 nan 8.310 nan 0.000 0.517 67 K N 2.132 122.610 120.400 0.129 0.000 2.089 67 K HA -0.079 4.267 4.320 0.044 0.000 0.210 67 K C -0.749 175.852 176.600 0.001 0.000 1.048 67 K CA 1.861 58.196 56.287 0.080 0.000 0.926 67 K CB -1.110 31.415 32.500 0.043 0.000 0.714 67 K HN 0.453 nan 8.250 nan 0.000 0.448 68 P HA -0.122 nan 4.420 nan 0.000 0.229 68 P C 0.840 178.001 177.300 -0.231 0.000 1.160 68 P CA 1.235 64.204 63.100 -0.218 0.000 0.777 68 P CB 0.011 31.461 31.700 -0.416 0.000 0.814 69 F N 0.828 120.828 119.950 0.084 0.000 2.270 69 F HA -0.056 4.500 4.527 0.049 0.000 0.295 69 F C 2.564 178.398 175.800 0.057 0.000 1.087 69 F CA 1.547 59.580 58.000 0.055 0.000 1.365 69 F CB -1.288 37.732 39.000 0.033 0.000 1.056 69 F HN -0.068 nan 8.300 nan 0.000 0.506 70 T N -2.571 112.125 114.554 0.237 0.000 2.951 70 T HA -0.217 4.159 4.350 0.044 0.000 0.268 70 T C 1.770 176.564 174.700 0.156 0.000 1.073 70 T CA 0.891 63.087 62.100 0.160 0.000 1.134 70 T CB -0.844 68.118 68.868 0.158 0.000 0.884 70 T HN 0.271 nan 8.240 nan 0.000 0.479 71 Y N 2.779 123.077 120.300 -0.004 0.000 2.200 71 Y HA 0.182 4.754 4.550 0.038 0.000 0.290 71 Y C 2.731 178.585 175.900 -0.076 0.000 1.137 71 Y CA 0.446 58.513 58.100 -0.054 0.000 1.163 71 Y CB -1.149 37.266 38.460 -0.075 0.000 0.988 71 Y HN 0.286 nan 8.280 nan 0.000 0.518 72 A N 0.470 123.285 122.820 -0.007 0.000 1.883 72 A HA -0.137 4.209 4.320 0.044 0.000 0.217 72 A C 2.504 180.041 177.584 -0.079 0.000 1.186 72 A CA 2.353 54.327 52.037 -0.104 0.000 0.624 72 A CB -1.501 17.508 19.000 0.015 0.000 0.822 72 A HN 0.557 nan 8.150 nan 0.000 0.444 73 A N -0.372 122.447 122.820 -0.003 0.000 1.930 73 A HA 0.201 4.548 4.320 0.044 0.000 0.217 73 A C 2.486 180.045 177.584 -0.043 0.000 1.175 73 A CA 1.988 54.018 52.037 -0.011 0.000 0.627 73 A CB -0.947 18.061 19.000 0.012 0.000 0.815 73 A HN 1.058 nan 8.150 nan 0.000 0.443 74 A N -0.183 122.613 122.820 -0.040 0.000 1.902 74 A HA -0.036 4.310 4.320 0.044 0.000 0.217 74 A C 2.152 179.666 177.584 -0.118 0.000 1.181 74 A CA 1.467 53.475 52.037 -0.048 0.000 0.623 74 A CB -0.604 18.403 19.000 0.012 0.000 0.818 74 A HN 0.465 nan 8.150 nan 0.000 0.443 75 L N -0.585 120.496 121.223 -0.237 0.000 2.046 75 L HA -0.174 4.192 4.340 0.044 0.000 0.208 75 L C 2.491 179.237 176.870 -0.206 0.000 1.077 75 L CA 1.172 55.778 54.840 -0.391 0.000 0.747 75 L CB -0.463 41.178 42.059 -0.696 0.000 0.896 75 L HN 0.255 nan 8.230 nan 0.000 0.432 76 V N -0.675 119.166 119.914 -0.122 0.000 2.453 76 V HA -0.222 3.924 4.120 0.044 0.000 0.247 76 V C 1.879 177.958 176.094 -0.025 0.000 1.048 76 V CA 1.626 63.900 62.300 -0.043 0.000 1.049 76 V CB -0.449 31.361 31.823 -0.023 0.000 0.672 76 V HN 0.408 nan 8.190 nan 0.000 0.457 77 D N -0.243 120.136 120.400 -0.035 0.000 2.234 77 D HA -0.031 4.635 4.640 0.044 0.000 0.205 77 D C 2.243 178.535 176.300 -0.014 0.000 0.962 77 D CA 0.774 54.762 54.000 -0.020 0.000 0.855 77 D CB 0.016 40.802 40.800 -0.024 0.000 0.951 77 D HN 0.311 nan 8.370 nan 0.000 0.500 78 R N -0.626 119.860 120.500 -0.023 0.000 2.435 78 R HA 0.367 4.733 4.340 0.044 0.000 0.221 78 R C 0.935 177.240 176.300 0.008 0.000 0.885 78 R CA 0.506 56.602 56.100 -0.007 0.000 1.018 78 R CB 0.637 30.931 30.300 -0.010 0.000 1.259 78 R HN 0.099 nan 8.270 nan 0.000 0.597 79 G N 1.010 109.809 108.800 -0.002 0.000 2.692 79 G HA2 -0.225 3.761 3.960 0.044 0.000 0.686 79 G HA3 -0.225 3.761 3.960 0.044 0.000 0.686 79 G C 0.238 175.176 174.900 0.063 0.000 1.243 79 G CA -0.500 44.645 45.100 0.075 0.000 0.782 79 G HN -0.020 nan 8.290 nan 0.000 0.625 80 F N 1.574 121.511 119.950 -0.021 0.000 2.091 80 F HA -0.039 4.510 4.527 0.038 0.000 0.299 80 F C 3.211 179.015 175.800 0.007 0.000 1.103 80 F CA 3.177 61.167 58.000 -0.017 0.000 1.228 80 F CB -0.836 38.151 39.000 -0.022 0.000 0.984 80 F HN 0.830 nan 8.300 nan 0.000 0.477 81 A N -0.042 122.899 122.820 0.202 0.000 1.892 81 A HA -0.170 4.176 4.320 0.044 0.000 0.218 81 A C 2.429 180.063 177.584 0.083 0.000 1.188 81 A CA 2.291 54.400 52.037 0.120 0.000 0.631 81 A CB -1.410 17.644 19.000 0.090 0.000 0.822 81 A HN 0.348 nan 8.150 nan 0.000 0.447 82 A N -0.947 121.912 122.820 0.064 0.000 1.898 82 A HA 0.076 4.422 4.320 0.044 0.000 0.216 82 A C 2.241 179.849 177.584 0.041 0.000 1.181 82 A CA 1.695 53.760 52.037 0.045 0.000 0.620 82 A CB -0.797 18.223 19.000 0.032 0.000 0.819 82 A HN 0.389 nan 8.150 nan 0.000 0.442 83 V N 0.628 120.557 119.914 0.025 0.000 2.323 83 V HA -0.187 3.959 4.120 0.044 0.000 0.244 83 V C 1.957 178.090 176.094 0.065 0.000 1.041 83 V CA 2.125 64.443 62.300 0.028 0.000 1.025 83 V CB -0.758 31.044 31.823 -0.035 0.000 0.656 83 V HN 0.472 nan 8.190 nan 0.000 0.451 84 D N -0.206 120.239 120.400 0.076 0.000 2.263 84 D HA -0.153 4.513 4.640 0.044 0.000 0.208 84 D C 2.222 178.570 176.300 0.079 0.000 0.971 84 D CA 0.850 54.909 54.000 0.098 0.000 0.867 84 D CB -0.266 40.609 40.800 0.126 0.000 0.929 84 D HN 0.337 nan 8.370 nan 0.000 0.492 85 R N 0.182 120.725 120.500 0.072 0.000 2.280 85 R HA -0.040 4.326 4.340 0.044 0.000 0.207 85 R C 1.338 177.678 176.300 0.067 0.000 1.043 85 R CA 0.831 56.972 56.100 0.068 0.000 1.006 85 R CB 0.286 30.624 30.300 0.064 0.000 0.885 85 R HN 0.039 nan 8.270 nan 0.000 0.467 86 Q N -0.925 118.911 119.800 0.060 0.000 2.391 86 Q HA 0.187 4.553 4.340 0.044 0.000 0.243 86 Q C -0.268 175.754 176.000 0.037 0.000 0.874 86 Q CA 0.374 56.209 55.803 0.053 0.000 0.950 86 Q CB 1.586 30.351 28.738 0.046 0.000 1.103 86 Q HN 0.052 nan 8.270 nan 0.000 0.544 87 V N 0.726 120.664 119.914 0.040 0.000 2.531 87 V HA 0.691 4.837 4.120 0.044 0.000 0.301 87 V C 0.439 176.545 176.094 0.021 0.000 1.034 87 V CA -0.747 61.558 62.300 0.008 0.000 0.865 87 V CB 1.448 33.263 31.823 -0.014 0.000 0.995 87 V HN 0.191 nan 8.190 nan 0.000 0.424 88 G N 2.631 111.428 108.800 -0.005 0.000 2.535 88 G HA2 0.561 4.547 3.960 0.044 0.000 0.282 88 G HA3 0.561 4.547 3.960 0.044 0.000 0.282 88 G C 0.075 174.977 174.900 0.003 0.000 1.350 88 G CA -0.477 44.626 45.100 0.005 0.000 1.039 88 G HN 0.666 nan 8.290 nan 0.000 0.509 89 L N 0.058 121.288 121.223 0.010 0.000 3.333 89 L HA 0.287 4.653 4.340 0.044 0.000 0.299 89 L C -0.166 176.703 176.870 -0.002 0.000 1.256 89 L CA -0.323 54.526 54.840 0.016 0.000 1.037 89 L CB 0.189 42.278 42.059 0.049 0.000 1.423 89 L HN 0.241 nan 8.230 nan 0.000 0.605 90 N N 2.026 120.716 118.700 -0.015 0.000 2.456 90 N HA 0.372 5.139 4.740 0.044 0.000 0.288 90 N C -2.515 172.980 175.510 -0.026 0.000 1.059 90 N CA -1.327 51.713 53.050 -0.017 0.000 0.946 90 N CB 1.295 39.770 38.487 -0.019 0.000 1.150 90 N HN -0.115 nan 8.380 nan 0.000 0.479 91 P HA 0.129 nan 4.420 nan 0.000 0.272 91 P C -0.357 176.943 177.300 0.000 0.000 1.240 91 P CA -0.071 63.015 63.100 -0.023 0.000 0.791 91 P CB 0.857 32.548 31.700 -0.016 0.000 0.978 92 S N -1.173 114.547 115.700 0.033 0.000 2.645 92 S HA 0.556 5.053 4.470 0.044 0.000 0.268 92 S C -0.390 174.303 174.600 0.155 0.000 1.110 92 S CA -0.697 57.539 58.200 0.059 0.000 0.823 92 S CB 0.238 63.451 63.200 0.022 0.000 1.091 92 S HN 0.607 nan 8.310 nan 0.000 0.466 93 G N -0.155 108.704 108.800 0.099 0.000 2.537 93 G HA2 0.450 4.436 3.960 0.044 0.000 0.273 93 G HA3 0.450 4.436 3.960 0.044 0.000 0.273 93 G C 0.420 175.352 174.900 0.053 0.000 1.189 93 G CA -0.065 45.078 45.100 0.072 0.000 0.881 93 G HN 0.872 nan 8.290 nan 0.000 0.535 94 E N 0.304 120.437 120.200 -0.113 0.000 2.268 94 E HA 0.059 4.436 4.350 0.044 0.000 0.195 94 E C 1.715 178.309 176.600 -0.010 0.000 0.995 94 E CA 0.631 56.991 56.400 -0.066 0.000 0.836 94 E CB -0.352 29.205 29.700 -0.238 0.000 0.763 94 E HN 0.613 nan 8.360 nan 0.000 0.491 95 A N 0.800 123.598 122.820 -0.036 0.000 2.524 95 A HA 0.165 4.511 4.320 0.044 0.000 0.250 95 A C -0.301 177.312 177.584 0.048 0.000 1.078 95 A CA -0.182 51.855 52.037 0.000 0.000 0.761 95 A CB -0.582 18.399 19.000 -0.031 0.000 1.012 95 A HN 0.346 nan 8.150 nan 0.000 0.500 96 F N 3.894 123.813 119.950 -0.052 0.000 2.410 96 F HA 0.415 4.968 4.527 0.042 0.000 0.348 96 F C 0.182 175.958 175.800 -0.041 0.000 1.106 96 F CA -0.459 57.513 58.000 -0.046 0.000 1.163 96 F CB 0.805 39.778 39.000 -0.046 0.000 1.129 96 F HN 0.594 nan 8.300 nan 0.000 0.516 97 N N 5.063 123.148 118.700 -1.025 0.000 2.399 97 N HA 0.085 4.852 4.740 0.044 0.000 0.280 97 N C 0.565 175.415 175.510 -1.099 0.000 1.008 97 N CA -0.239 52.360 53.050 -0.752 0.000 0.894 97 N CB 1.452 39.704 38.487 -0.392 0.000 1.273 97 N HN 0.935 nan 8.380 nan 0.000 0.486 98 E N 3.250 123.060 120.200 -0.649 0.000 2.160 98 E HA -0.126 4.250 4.350 0.044 0.000 0.195 98 E C 1.240 177.667 176.600 -0.288 0.000 0.991 98 E CA 0.933 57.140 56.400 -0.322 0.000 0.810 98 E CB 0.190 29.912 29.700 0.036 0.000 0.742 98 E HN 0.653 nan 8.360 nan 0.000 0.466 99 L N 0.847 121.922 121.223 -0.246 0.000 2.263 99 L HA -0.204 4.163 4.340 0.044 0.000 0.216 99 L C 2.570 179.313 176.870 -0.210 0.000 1.111 99 L CA 1.325 56.060 54.840 -0.175 0.000 0.773 99 L CB -0.498 41.479 42.059 -0.138 0.000 0.906 99 L HN 0.242 nan 8.230 nan 0.000 0.439 100 S N -0.636 114.890 115.700 -0.291 0.000 2.481 100 S HA -0.054 4.442 4.470 0.044 0.000 0.231 100 S C 1.682 176.153 174.600 -0.214 0.000 0.996 100 S CA 0.600 58.661 58.200 -0.233 0.000 0.942 100 S CB -0.218 62.836 63.200 -0.243 0.000 0.768 100 S HN 0.467 nan 8.310 nan 0.000 0.520 101 L N 0.261 121.308 121.223 -0.293 0.000 2.556 101 L HA 0.300 4.666 4.340 0.044 0.000 0.226 101 L C 2.387 179.052 176.870 -0.341 0.000 1.089 101 L CA 0.334 54.948 54.840 -0.376 0.000 0.864 101 L CB -0.285 41.326 42.059 -0.747 0.000 1.067 101 L HN 0.279 nan 8.230 nan 0.000 0.477 102 E N 1.330 121.390 120.200 -0.233 0.000 2.347 102 E HA 0.000 4.376 4.350 0.044 0.000 0.196 102 E C 1.065 177.534 176.600 -0.219 0.000 1.008 102 E CA 0.195 56.562 56.400 -0.056 0.000 0.852 102 E CB 0.147 29.862 29.700 0.025 0.000 0.783 102 E HN 0.418 nan 8.360 nan 0.000 0.505 103 A N 1.330 123.995 122.820 -0.257 0.000 2.507 103 A HA -0.071 4.275 4.320 0.044 0.000 0.235 103 A C 0.705 178.027 177.584 -0.436 0.000 1.070 103 A CA -0.123 51.766 52.037 -0.246 0.000 0.768 103 A CB 0.252 19.150 19.000 -0.170 0.000 1.011 103 A HN -0.001 nan 8.150 nan 0.000 0.502 104 E N 0.989 121.036 120.200 -0.256 0.000 2.448 104 E HA -0.109 4.267 4.350 0.044 0.000 0.203 104 E C 1.892 178.409 176.600 -0.138 0.000 1.046 104 E CA 1.645 57.935 56.400 -0.184 0.000 0.871 104 E CB -0.176 29.501 29.700 -0.039 0.000 0.790 104 E HN 0.598 nan 8.360 nan 0.000 0.545 105 S N -0.518 115.077 115.700 -0.175 0.000 2.348 105 S HA -0.075 4.421 4.470 0.044 0.000 0.219 105 S C 0.146 174.774 174.600 0.045 0.000 1.033 105 S CA 0.468 58.643 58.200 -0.042 0.000 0.974 105 S CB -0.093 63.080 63.200 -0.044 0.000 0.868 105 S HN 0.354 nan 8.310 nan 0.000 0.459 106 H N 1.780 120.861 119.070 0.020 0.000 2.904 106 H HA -0.099 4.483 4.556 0.044 0.000 0.333 106 H C 0.029 175.365 175.328 0.013 0.000 1.271 106 H CA 1.149 57.217 56.048 0.032 0.000 1.183 106 H CB -1.583 28.247 29.762 0.113 0.000 1.519 106 H HN 0.621 nan 8.280 nan 0.000 0.441 107 R N -0.753 119.768 120.500 0.035 0.000 2.629 107 R HA 0.483 4.849 4.340 0.044 0.000 0.266 107 R C -3.439 172.859 176.300 -0.004 0.000 1.051 107 R CA -1.837 54.281 56.100 0.030 0.000 0.895 107 R CB 2.295 32.618 30.300 0.039 0.000 1.246 107 R HN -0.126 nan 8.270 nan 0.000 0.459 108 P HA 0.009 nan 4.420 nan 0.000 0.269 108 P C -0.280 177.012 177.300 -0.013 0.000 1.215 108 P CA -0.084 63.027 63.100 0.019 0.000 0.780 108 P CB 0.759 32.474 31.700 0.026 0.000 0.898 109 D N 0.640 121.030 120.400 -0.016 0.000 2.126 109 D HA -0.137 4.529 4.640 0.044 0.000 0.190 109 D C 0.994 177.266 176.300 -0.047 0.000 1.001 109 D CA 1.774 55.755 54.000 -0.031 0.000 0.841 109 D CB 0.058 40.842 40.800 -0.027 0.000 0.949 109 D HN 0.626 nan 8.370 nan 0.000 0.446 110 N N -2.262 116.394 118.700 -0.072 0.000 3.039 110 N HA 0.338 5.104 4.740 0.044 0.000 0.257 110 N C -0.211 175.171 175.510 -0.213 0.000 1.497 110 N CA -0.321 52.648 53.050 -0.135 0.000 0.861 110 N CB 1.330 39.740 38.487 -0.129 0.000 1.479 110 N HN -0.095 nan 8.380 nan 0.000 0.547 111 A N -0.322 122.267 122.820 -0.385 0.000 2.238 111 A HA 0.120 4.466 4.320 0.044 0.000 0.208 111 A C 1.370 178.776 177.584 -0.296 0.000 1.177 111 A CA 0.527 52.272 52.037 -0.487 0.000 0.804 111 A CB -0.461 17.841 19.000 -1.163 0.000 0.823 111 A HN 0.520 nan 8.150 nan 0.000 0.482 112 M N 0.026 119.489 119.600 -0.229 0.000 2.476 112 M HA 0.229 4.736 4.480 0.044 0.000 0.262 112 M C 0.897 177.162 176.300 -0.059 0.000 1.111 112 M CA 0.175 55.371 55.300 -0.173 0.000 1.127 112 M CB -1.016 31.418 32.600 -0.277 0.000 1.376 112 M HN 0.555 nan 8.290 nan 0.000 0.465 113 I N -1.738 118.816 120.570 -0.026 0.000 2.612 113 I HA 0.266 4.462 4.170 0.044 0.000 0.295 113 I C 1.138 177.255 176.117 -0.001 0.000 1.011 113 I CA -0.587 60.762 61.300 0.081 0.000 1.326 113 I CB 0.411 38.470 38.000 0.100 0.000 1.427 113 I HN -0.097 nan 8.210 nan 0.000 0.537 114 N N 3.552 122.254 118.700 0.003 0.000 2.037 114 N HA -0.235 4.532 4.740 0.044 0.000 0.196 114 N C 1.857 177.222 175.510 -0.242 0.000 1.034 114 N CA 2.235 55.202 53.050 -0.139 0.000 0.861 114 N CB -0.707 37.725 38.487 -0.091 0.000 1.039 114 N HN 0.873 nan 8.380 nan 0.000 0.427 115 A N 0.238 122.969 122.820 -0.148 0.000 1.917 115 A HA -0.078 4.268 4.320 0.044 0.000 0.219 115 A C 2.385 179.890 177.584 -0.133 0.000 1.182 115 A CA 2.124 54.068 52.037 -0.156 0.000 0.633 115 A CB -1.270 17.692 19.000 -0.064 0.000 0.819 115 A HN 0.407 nan 8.150 nan 0.000 0.448 116 G N -1.054 107.683 108.800 -0.105 0.000 2.421 116 G HA2 0.108 4.095 3.960 0.044 0.000 0.217 116 G HA3 0.108 4.095 3.960 0.044 0.000 0.217 116 G C 1.645 176.458 174.900 -0.145 0.000 1.143 116 G CA 1.174 46.204 45.100 -0.117 0.000 0.784 116 G HN 0.801 nan 8.290 nan 0.000 0.541 117 A N 0.452 123.166 122.820 -0.177 0.000 1.968 117 A HA 0.213 4.560 4.320 0.044 0.000 0.217 117 A C 2.335 179.812 177.584 -0.178 0.000 1.169 117 A CA 0.788 52.734 52.037 -0.152 0.000 0.638 117 A CB -0.262 18.657 19.000 -0.134 0.000 0.812 117 A HN 0.346 nan 8.150 nan 0.000 0.446 118 L N -1.023 120.016 121.223 -0.307 0.000 2.156 118 L HA -0.113 4.253 4.340 0.044 0.000 0.208 118 L C 2.953 179.789 176.870 -0.058 0.000 1.095 118 L CA 0.860 55.563 54.840 -0.228 0.000 0.770 118 L CB -0.372 41.516 42.059 -0.285 0.000 0.914 118 L HN 0.429 nan 8.230 nan 0.000 0.439 119 A N -0.536 122.249 122.820 -0.057 0.000 1.930 119 A HA -0.068 4.278 4.320 0.044 0.000 0.215 119 A C 2.302 179.902 177.584 0.028 0.000 1.176 119 A CA 1.008 53.040 52.037 -0.008 0.000 0.632 119 A CB -0.514 18.477 19.000 -0.016 0.000 0.819 119 A HN 0.151 nan 8.150 nan 0.000 0.445 120 V N -0.268 119.662 119.914 0.026 0.000 2.295 120 V HA -0.263 3.883 4.120 0.044 0.000 0.246 120 V C 2.532 178.676 176.094 0.083 0.000 1.049 120 V CA 2.153 64.491 62.300 0.063 0.000 1.024 120 V CB -0.965 30.897 31.823 0.064 0.000 0.648 120 V HN 0.750 nan 8.190 nan 0.000 0.447 121 H N 0.347 119.443 119.070 0.044 0.000 2.319 121 H HA -0.230 4.352 4.556 0.043 0.000 0.299 121 H C 2.406 177.762 175.328 0.047 0.000 1.092 121 H CA 2.441 58.530 56.048 0.068 0.000 1.302 121 H CB -0.041 29.783 29.762 0.102 0.000 1.373 121 H HN 0.486 nan 8.280 nan 0.000 0.497 122 Q N 0.860 120.777 119.800 0.195 0.000 2.248 122 Q HA -0.105 4.261 4.340 0.044 0.000 0.208 122 Q C 2.204 178.238 176.000 0.055 0.000 0.984 122 Q CA 1.525 57.404 55.803 0.125 0.000 0.875 122 Q CB -0.476 28.310 28.738 0.079 0.000 0.910 122 Q HN 0.553 nan 8.270 nan 0.000 0.433 123 L N -0.648 120.594 121.223 0.032 0.000 2.529 123 L HA 0.074 4.440 4.340 0.044 0.000 0.223 123 L C 1.920 178.780 176.870 -0.017 0.000 1.113 123 L CA -0.084 54.763 54.840 0.012 0.000 0.861 123 L CB -0.205 41.866 42.059 0.020 0.000 1.012 123 L HN 0.236 nan 8.230 nan 0.000 0.461 124 L N -0.611 120.577 121.223 -0.058 0.000 2.113 124 L HA -0.340 4.026 4.340 0.044 0.000 0.221 124 L C 2.029 178.864 176.870 -0.058 0.000 1.084 124 L CA 1.548 56.334 54.840 -0.091 0.000 0.787 124 L CB -0.334 41.593 42.059 -0.220 0.000 0.893 124 L HN 0.195 nan 8.230 nan 0.000 0.440 125 V N -3.017 116.873 119.914 -0.039 0.000 3.058 125 V HA 0.433 4.579 4.120 0.044 0.000 0.233 125 V C 0.608 176.696 176.094 -0.010 0.000 1.255 125 V CA 0.630 62.916 62.300 -0.023 0.000 1.267 125 V CB 1.028 32.840 31.823 -0.019 0.000 1.049 125 V HN 0.459 nan 8.190 nan 0.000 0.486 126 G N -0.477 108.321 108.800 -0.003 0.000 2.356 126 G HA2 0.404 4.390 3.960 0.044 0.000 0.294 126 G HA3 0.404 4.390 3.960 0.044 0.000 0.294 126 G C -2.872 172.033 174.900 0.009 0.000 1.423 126 G CA -0.040 45.062 45.100 0.004 0.000 0.806 126 G HN -0.049 nan 8.290 nan 0.000 0.527 127 P HA 0.092 nan 4.420 nan 0.000 0.223 127 P C 0.769 178.079 177.300 0.016 0.000 1.151 127 P CA 1.046 64.156 63.100 0.016 0.000 0.787 127 P CB 0.329 32.038 31.700 0.015 0.000 0.788 128 E N -0.808 119.400 120.200 0.014 0.000 2.496 128 E HA 0.347 4.723 4.350 0.044 0.000 0.200 128 E C 0.124 176.732 176.600 0.014 0.000 1.016 128 E CA -0.480 55.928 56.400 0.014 0.000 0.962 128 E CB 0.294 30.000 29.700 0.011 0.000 1.071 128 E HN 0.116 nan 8.360 nan 0.000 0.457 129 A N 1.480 124.310 122.820 0.016 0.000 2.316 129 A HA 0.426 4.772 4.320 0.044 0.000 0.284 129 A C 0.578 178.176 177.584 0.025 0.000 1.115 129 A CA -0.552 51.494 52.037 0.016 0.000 0.812 129 A CB 0.615 19.621 19.000 0.010 0.000 1.064 129 A HN 0.216 nan 8.150 nan 0.000 0.489 130 S N 1.349 117.064 115.700 0.026 0.000 2.645 130 S HA 0.284 4.780 4.470 0.044 0.000 0.266 130 S C 1.247 175.877 174.600 0.050 0.000 1.258 130 S CA -0.043 58.176 58.200 0.033 0.000 0.990 130 S CB 0.780 63.995 63.200 0.026 0.000 0.967 130 S HN 0.835 nan 8.310 nan 0.000 0.556 131 R N 0.873 121.409 120.500 0.060 0.000 2.091 131 R HA -0.150 4.217 4.340 0.044 0.000 0.238 131 R C 2.228 178.584 176.300 0.093 0.000 1.136 131 R CA 1.850 58.003 56.100 0.089 0.000 0.959 131 R CB -0.451 29.895 30.300 0.076 0.000 0.856 131 R HN 0.838 nan 8.270 nan 0.000 0.437 132 K N 0.547 120.984 120.400 0.062 0.000 2.057 132 K HA -0.153 4.193 4.320 0.044 0.000 0.206 132 K C 1.703 178.331 176.600 0.047 0.000 1.050 132 K CA 1.790 58.109 56.287 0.054 0.000 0.935 132 K CB 0.024 32.543 32.500 0.032 0.000 0.715 132 K HN 0.326 nan 8.250 nan 0.000 0.439 133 E N 0.123 120.344 120.200 0.034 0.000 2.110 133 E HA -0.174 4.202 4.350 0.044 0.000 0.193 133 E C 2.174 178.780 176.600 0.010 0.000 0.988 133 E CA 1.033 57.444 56.400 0.019 0.000 0.804 133 E CB 0.018 29.725 29.700 0.012 0.000 0.745 133 E HN 0.281 nan 8.360 nan 0.000 0.458 134 R N 0.500 121.011 120.500 0.018 0.000 2.090 134 R HA -0.000 4.366 4.340 0.044 0.000 0.228 134 R C 2.511 178.793 176.300 -0.031 0.000 1.110 134 R CA 0.515 56.591 56.100 -0.040 0.000 0.973 134 R CB -0.214 30.068 30.300 -0.031 0.000 0.869 134 R HN 0.190 nan 8.270 nan 0.000 0.440 135 L N 1.676 122.954 121.223 0.092 0.000 1.994 135 L HA -0.198 4.168 4.340 0.044 0.000 0.208 135 L C 1.202 178.107 176.870 0.059 0.000 1.071 135 L CA 2.227 57.149 54.840 0.136 0.000 0.745 135 L CB -0.468 41.679 42.059 0.147 0.000 0.892 135 L HN 0.271 nan 8.230 nan 0.000 0.431 136 D N -1.471 118.953 120.400 0.040 0.000 2.347 136 D HA -0.210 4.456 4.640 0.044 0.000 0.215 136 D C 2.026 178.324 176.300 -0.003 0.000 0.976 136 D CA 0.306 54.317 54.000 0.018 0.000 0.884 136 D CB -0.218 40.595 40.800 0.021 0.000 0.915 136 D HN 0.111 nan 8.370 nan 0.000 0.526 137 R N 1.235 121.727 120.500 -0.013 0.000 2.115 137 R HA 0.172 4.539 4.340 0.044 0.000 0.226 137 R C 1.851 178.135 176.300 -0.027 0.000 1.100 137 R CA 1.490 57.575 56.100 -0.026 0.000 0.980 137 R CB -0.885 29.389 30.300 -0.043 0.000 0.875 137 R HN 0.174 nan 8.270 nan 0.000 0.445 138 A N -0.068 122.735 122.820 -0.030 0.000 1.841 138 A HA -0.041 4.305 4.320 0.044 0.000 0.214 138 A C 2.252 179.830 177.584 -0.009 0.000 1.195 138 A CA 1.632 53.665 52.037 -0.007 0.000 0.611 138 A CB -0.817 18.198 19.000 0.025 0.000 0.835 138 A HN 0.134 nan 8.150 nan 0.000 0.443 139 V N 0.525 120.428 119.914 -0.018 0.000 2.469 139 V HA -0.294 3.852 4.120 0.044 0.000 0.251 139 V C 2.489 178.553 176.094 -0.050 0.000 1.064 139 V CA 2.386 64.660 62.300 -0.044 0.000 1.066 139 V CB -0.865 30.934 31.823 -0.039 0.000 0.667 139 V HN 0.784 nan 8.190 nan 0.000 0.461 140 E N 0.102 120.282 120.200 -0.034 0.000 2.028 140 E HA -0.243 4.133 4.350 0.044 0.000 0.191 140 E C 2.208 178.785 176.600 -0.039 0.000 0.988 140 E CA 1.572 57.951 56.400 -0.034 0.000 0.799 140 E CB -0.161 29.526 29.700 -0.022 0.000 0.755 140 E HN 0.468 nan 8.360 nan 0.000 0.447 141 I N 0.952 121.506 120.570 -0.026 0.000 2.163 141 I HA -0.274 3.922 4.170 0.044 0.000 0.243 141 I C 2.236 178.307 176.117 -0.077 0.000 1.085 141 I CA 1.576 62.866 61.300 -0.016 0.000 1.347 141 I CB -0.200 37.819 38.000 0.032 0.000 1.044 141 I HN 0.256 nan 8.210 nan 0.000 0.408 142 M N -0.707 118.817 119.600 -0.128 0.000 2.117 142 M HA -0.202 4.304 4.480 0.044 0.000 0.262 142 M C 2.319 178.475 176.300 -0.240 0.000 1.065 142 M CA 1.881 57.001 55.300 -0.299 0.000 1.114 142 M CB -0.399 32.044 32.600 -0.261 0.000 1.361 142 M HN 0.170 nan 8.290 nan 0.000 0.408 143 S N 0.751 116.363 115.700 -0.146 0.000 2.382 143 S HA -0.057 4.439 4.470 0.044 0.000 0.228 143 S C 1.818 176.369 174.600 -0.082 0.000 1.027 143 S CA 1.071 59.204 58.200 -0.111 0.000 0.991 143 S CB -0.375 62.775 63.200 -0.082 0.000 0.823 143 S HN 0.399 nan 8.310 nan 0.000 0.469 144 L N 0.860 122.044 121.223 -0.064 0.000 2.141 144 L HA -0.018 4.348 4.340 0.044 0.000 0.209 144 L C 1.988 178.871 176.870 0.022 0.000 1.094 144 L CA 0.883 55.706 54.840 -0.030 0.000 0.763 144 L CB -0.443 41.607 42.059 -0.015 0.000 0.908 144 L HN 0.302 nan 8.230 nan 0.000 0.437 145 L N -0.875 120.341 121.223 -0.011 0.000 2.249 145 L HA 0.033 4.400 4.340 0.044 0.000 0.207 145 L C 2.688 179.589 176.870 0.052 0.000 1.090 145 L CA 0.626 55.490 54.840 0.040 0.000 0.802 145 L CB -0.573 41.439 42.059 -0.078 0.000 0.947 145 L HN 0.156 nan 8.230 nan 0.000 0.453 146 A N -0.017 122.769 122.820 -0.057 0.000 2.119 146 A HA 0.154 4.500 4.320 0.044 0.000 0.217 146 A C 1.881 179.487 177.584 0.035 0.000 1.153 146 A CA 1.044 53.050 52.037 -0.051 0.000 0.692 146 A CB -0.509 18.410 19.000 -0.136 0.000 0.799 146 A HN 0.531 nan 8.150 nan 0.000 0.458 147 G N -0.820 108.003 108.800 0.040 0.000 2.159 147 G HA2 -0.278 3.708 3.960 0.044 0.000 0.256 147 G HA3 -0.278 3.708 3.960 0.044 0.000 0.256 147 G C 0.187 175.048 174.900 -0.065 0.000 0.977 147 G CA 0.638 45.715 45.100 -0.038 0.000 0.652 147 G HN 1.360 nan 8.290 nan 0.000 0.531 148 R N -1.555 118.908 120.500 -0.062 0.000 2.663 148 R HA 0.653 5.019 4.340 0.044 0.000 0.267 148 R C -0.272 175.986 176.300 -0.070 0.000 1.038 148 R CA -1.095 54.966 56.100 -0.064 0.000 0.886 148 R CB 1.003 31.267 30.300 -0.061 0.000 1.249 148 R HN 0.146 nan 8.270 nan 0.000 0.463 149 R N 3.013 123.476 120.500 -0.061 0.000 2.404 149 R HA 0.144 4.511 4.340 0.044 0.000 0.315 149 R C -0.654 175.604 176.300 -0.070 0.000 1.032 149 R CA 0.058 56.123 56.100 -0.059 0.000 0.992 149 R CB 0.178 30.452 30.300 -0.043 0.000 0.959 149 R HN 0.565 nan 8.270 nan 0.000 0.428 150 L N 2.381 123.553 121.223 -0.086 0.000 2.431 150 L HA 0.405 4.771 4.340 0.044 0.000 0.260 150 L C 0.261 177.073 176.870 -0.096 0.000 1.098 150 L CA -0.641 54.134 54.840 -0.108 0.000 0.800 150 L CB 1.772 43.748 42.059 -0.139 0.000 1.210 150 L HN 0.642 nan 8.230 nan 0.000 0.465 151 S N -0.510 115.119 115.700 -0.119 0.000 2.632 151 S HA 0.554 5.050 4.470 0.044 0.000 0.289 151 S C -0.873 173.600 174.600 -0.211 0.000 1.115 151 S CA -0.594 57.536 58.200 -0.116 0.000 0.889 151 S CB 2.375 65.534 63.200 -0.068 0.000 1.116 151 S HN 0.208 nan 8.310 nan 0.000 0.486 152 V N 1.828 121.550 119.914 -0.320 0.000 2.439 152 V HA 0.261 4.407 4.120 0.044 0.000 0.282 152 V C -0.251 175.414 176.094 -0.714 0.000 1.039 152 V CA -0.518 61.400 62.300 -0.637 0.000 0.913 152 V CB 1.341 32.463 31.823 -1.168 0.000 0.983 152 V HN 0.917 nan 8.190 nan 0.000 0.460 153 D N 3.733 123.839 120.400 -0.490 0.000 2.453 153 D HA 0.160 4.826 4.640 0.044 0.000 0.223 153 D C 0.604 176.746 176.300 -0.264 0.000 1.183 153 D CA -0.142 53.688 54.000 -0.283 0.000 0.933 153 D CB 0.354 41.069 40.800 -0.143 0.000 1.038 153 D HN 0.538 nan 8.370 nan 0.000 0.513 154 W N 2.002 123.319 121.300 0.029 0.000 2.387 154 W HA -0.088 4.599 4.660 0.045 0.000 0.272 154 W C 2.140 178.741 176.519 0.137 0.000 1.224 154 W CA 0.240 57.642 57.345 0.094 0.000 1.210 154 W CB -0.085 29.400 29.460 0.043 0.000 1.125 154 W HN 0.519 nan 8.180 nan 0.000 0.572 155 E N -0.016 120.319 120.200 0.226 0.000 2.077 155 E HA -0.193 4.183 4.350 0.044 0.000 0.193 155 E C 1.765 178.430 176.600 0.110 0.000 0.989 155 E CA 1.911 58.402 56.400 0.152 0.000 0.800 155 E CB -0.103 29.654 29.700 0.095 0.000 0.746 155 E HN 0.146 nan 8.360 nan 0.000 0.452 156 T N 0.029 114.628 114.554 0.074 0.000 2.812 156 T HA -0.157 4.219 4.350 0.044 0.000 0.264 156 T C 1.435 176.170 174.700 0.059 0.000 1.042 156 T CA 1.190 63.312 62.100 0.037 0.000 1.140 156 T CB -0.540 68.326 68.868 -0.003 0.000 0.870 156 T HN 0.335 nan 8.240 nan 0.000 0.445 157 Y N 2.659 122.941 120.300 -0.029 0.000 2.081 157 Y HA -0.235 4.341 4.550 0.043 0.000 0.280 157 Y C 2.379 178.323 175.900 0.073 0.000 1.163 157 Y CA 1.663 59.765 58.100 0.004 0.000 1.135 157 Y CB -0.289 38.190 38.460 0.033 0.000 0.970 157 Y HN 0.084 nan 8.280 nan 0.000 0.498 158 E N -0.268 119.964 120.200 0.053 0.000 2.051 158 E HA -0.216 4.160 4.350 0.044 0.000 0.192 158 E C 2.514 179.068 176.600 -0.076 0.000 0.991 158 E CA 1.294 57.662 56.400 -0.055 0.000 0.799 158 E CB -0.928 28.838 29.700 0.111 0.000 0.748 158 E HN 0.475 nan 8.360 nan 0.000 0.449 159 S N 0.796 116.487 115.700 -0.016 0.000 2.374 159 S HA -0.252 4.244 4.470 0.044 0.000 0.227 159 S C 2.025 176.602 174.600 -0.038 0.000 1.037 159 S CA 1.963 60.154 58.200 -0.016 0.000 1.024 159 S CB -0.066 63.135 63.200 0.001 0.000 0.861 159 S HN 0.374 nan 8.310 nan 0.000 0.456 160 E N -0.564 119.599 120.200 -0.063 0.000 2.112 160 E HA -0.021 4.355 4.350 0.044 0.000 0.190 160 E C 2.072 178.615 176.600 -0.096 0.000 0.979 160 E CA 0.734 57.104 56.400 -0.050 0.000 0.814 160 E CB -0.147 29.532 29.700 -0.035 0.000 0.762 160 E HN 0.412 nan 8.360 nan 0.000 0.460 161 M N 0.498 119.963 119.600 -0.225 0.000 2.358 161 M HA -0.065 4.441 4.480 0.044 0.000 0.264 161 M C 2.151 178.379 176.300 -0.120 0.000 1.064 161 M CA 1.200 56.352 55.300 -0.247 0.000 1.093 161 M CB -0.687 31.621 32.600 -0.488 0.000 1.401 161 M HN 0.278 nan 8.290 nan 0.000 0.440 162 A N -0.037 122.733 122.820 -0.085 0.000 2.119 162 A HA 0.108 4.454 4.320 0.044 0.000 0.216 162 A C 1.352 178.926 177.584 -0.015 0.000 1.152 162 A CA 0.991 53.004 52.037 -0.039 0.000 0.708 162 A CB -0.214 18.771 19.000 -0.026 0.000 0.805 162 A HN 0.360 nan 8.150 nan 0.000 0.460 163 V N -3.440 116.470 119.914 -0.007 0.000 2.711 163 V HA 0.401 4.547 4.120 0.044 0.000 0.335 163 V C 0.086 176.194 176.094 0.023 0.000 1.235 163 V CA 0.056 62.367 62.300 0.017 0.000 1.250 163 V CB -0.249 31.600 31.823 0.043 0.000 1.469 163 V HN 0.127 nan 8.190 nan 0.000 0.646 164 S N 0.607 116.311 115.700 0.006 0.000 2.561 164 S HA 0.164 4.660 4.470 0.044 0.000 0.245 164 S C 1.183 175.788 174.600 0.008 0.000 1.001 164 S CA -0.247 57.961 58.200 0.012 0.000 1.002 164 S CB -0.069 63.132 63.200 0.002 0.000 0.805 164 S HN 0.663 nan 8.310 nan 0.000 0.458 165 D N 2.470 122.872 120.400 0.004 0.000 2.123 165 D HA -0.156 4.510 4.640 0.044 0.000 0.196 165 D C 2.031 178.326 176.300 -0.008 0.000 0.992 165 D CA 0.999 55.002 54.000 0.005 0.000 0.833 165 D CB -0.003 40.798 40.800 0.001 0.000 0.954 165 D HN 0.389 nan 8.370 nan 0.000 0.455 166 R N 0.703 121.186 120.500 -0.029 0.000 2.080 166 R HA -0.118 4.248 4.340 0.044 0.000 0.236 166 R C 1.893 178.155 176.300 -0.064 0.000 1.137 166 R CA 1.333 57.400 56.100 -0.054 0.000 0.943 166 R CB 0.007 30.256 30.300 -0.085 0.000 0.846 166 R HN 0.056 nan 8.270 nan 0.000 0.431 167 N N 0.591 119.266 118.700 -0.042 0.000 2.309 167 N HA -0.130 4.636 4.740 0.044 0.000 0.182 167 N C 1.795 177.262 175.510 -0.072 0.000 1.018 167 N CA 0.956 53.971 53.050 -0.057 0.000 0.876 167 N CB -0.075 38.426 38.487 0.024 0.000 0.972 167 N HN 0.297 nan 8.380 nan 0.000 0.434 168 L N -0.007 121.198 121.223 -0.030 0.000 2.093 168 L HA -0.090 4.277 4.340 0.044 0.000 0.208 168 L C 2.481 179.371 176.870 0.034 0.000 1.085 168 L CA 0.690 55.522 54.840 -0.013 0.000 0.755 168 L CB -0.374 41.719 42.059 0.057 0.000 0.904 168 L HN 0.124 nan 8.230 nan 0.000 0.435 169 S N 0.242 115.950 115.700 0.012 0.000 2.348 169 S HA -0.161 4.335 4.470 0.044 0.000 0.221 169 S C 2.008 176.545 174.600 -0.106 0.000 1.033 169 S CA 1.232 59.429 58.200 -0.004 0.000 1.010 169 S CB -0.198 62.974 63.200 -0.046 0.000 0.891 169 S HN 0.299 nan 8.310 nan 0.000 0.442 170 L N 1.051 122.146 121.223 -0.214 0.000 2.042 170 L HA -0.100 4.266 4.340 0.044 0.000 0.210 170 L C 2.990 179.712 176.870 -0.246 0.000 1.076 170 L CA 1.368 55.988 54.840 -0.367 0.000 0.749 170 L CB -0.801 41.041 42.059 -0.361 0.000 0.893 170 L HN 0.431 nan 8.230 nan 0.000 0.432 171 A N -1.032 121.679 122.820 -0.183 0.000 1.902 171 A HA -0.220 4.126 4.320 0.044 0.000 0.217 171 A C 2.152 179.648 177.584 -0.147 0.000 1.181 171 A CA 1.345 53.276 52.037 -0.177 0.000 0.623 171 A CB -0.756 18.117 19.000 -0.211 0.000 0.818 171 A HN 0.408 nan 8.150 nan 0.000 0.443 172 H N -1.759 117.277 119.070 -0.057 0.000 2.353 172 H HA -0.107 4.475 4.556 0.044 0.000 0.300 172 H C 2.073 177.402 175.328 0.002 0.000 1.090 172 H CA 2.073 58.106 56.048 -0.024 0.000 1.327 172 H CB -0.263 29.485 29.762 -0.023 0.000 1.383 172 H HN 0.496 nan 8.280 nan 0.000 0.508 173 M N 0.738 120.399 119.600 0.101 0.000 2.086 173 M HA -0.100 4.406 4.480 0.044 0.000 0.261 173 M C 2.283 178.708 176.300 0.208 0.000 1.067 173 M CA 1.256 56.645 55.300 0.147 0.000 1.116 173 M CB -0.707 31.912 32.600 0.033 0.000 1.348 173 M HN 0.114 nan 8.290 nan 0.000 0.407 174 L N -0.843 120.422 121.223 0.069 0.000 2.129 174 L HA -0.268 4.098 4.340 0.044 0.000 0.212 174 L C 2.536 179.480 176.870 0.122 0.000 1.087 174 L CA 1.318 56.212 54.840 0.089 0.000 0.757 174 L CB -0.667 41.385 42.059 -0.011 0.000 0.896 174 L HN 0.331 nan 8.230 nan 0.000 0.434 175 R N -0.239 120.310 120.500 0.082 0.000 2.066 175 R HA -0.128 4.238 4.340 0.044 0.000 0.232 175 R C 2.668 179.011 176.300 0.072 0.000 1.131 175 R CA 1.613 57.752 56.100 0.065 0.000 0.955 175 R CB -0.461 29.867 30.300 0.047 0.000 0.851 175 R HN 0.475 nan 8.270 nan 0.000 0.432 176 S N 0.194 115.942 115.700 0.080 0.000 2.387 176 S HA -0.213 4.283 4.470 0.044 0.000 0.230 176 S C 1.620 176.147 174.600 -0.121 0.000 1.035 176 S CA 1.269 59.451 58.200 -0.030 0.000 1.014 176 S CB -0.545 62.616 63.200 -0.066 0.000 0.836 176 S HN 0.376 nan 8.310 nan 0.000 0.466 177 Y N 2.105 122.425 120.300 0.034 0.000 2.490 177 Y HA 0.391 4.968 4.550 0.045 0.000 0.281 177 Y C 1.914 177.806 175.900 -0.012 0.000 1.174 177 Y CA -0.094 58.020 58.100 0.024 0.000 1.295 177 Y CB -0.255 38.267 38.460 0.103 0.000 1.062 177 Y HN 0.467 nan 8.280 nan 0.000 0.522 178 G N -0.276 108.585 108.800 0.101 0.000 2.147 178 G HA2 -0.273 3.714 3.960 0.044 0.000 0.244 178 G HA3 -0.273 3.714 3.960 0.044 0.000 0.244 178 G C 0.733 175.676 174.900 0.072 0.000 1.005 178 G CA 0.535 45.668 45.100 0.056 0.000 0.713 178 G HN 0.271 nan 8.290 nan 0.000 0.515 179 V N -0.304 119.667 119.914 0.094 0.000 3.174 179 V HA 0.338 4.484 4.120 0.044 0.000 0.254 179 V C 1.457 177.578 176.094 0.045 0.000 1.120 179 V CA 1.132 63.475 62.300 0.072 0.000 1.114 179 V CB 0.055 31.923 31.823 0.075 0.000 0.756 179 V HN 0.418 nan 8.190 nan 0.000 0.467 180 L N -0.461 120.785 121.223 0.038 0.000 2.342 180 L HA 0.428 4.794 4.340 0.044 0.000 0.271 180 L C 0.486 177.369 176.870 0.022 0.000 1.008 180 L CA -0.380 54.473 54.840 0.021 0.000 0.818 180 L CB 2.120 44.178 42.059 -0.002 0.000 1.296 180 L HN 0.032 nan 8.230 nan 0.000 0.427 181 Q N -0.308 119.505 119.800 0.021 0.000 2.548 181 Q HA 0.134 4.501 4.340 0.044 0.000 0.230 181 Q C -0.156 175.854 176.000 0.016 0.000 0.899 181 Q CA 0.385 56.199 55.803 0.020 0.000 0.936 181 Q CB 0.429 29.180 28.738 0.022 0.000 1.114 181 Q HN 0.518 nan 8.270 nan 0.000 0.606 182 D N 0.895 121.307 120.400 0.019 0.000 2.393 182 D HA 0.090 4.757 4.640 0.044 0.000 0.246 182 D C 0.250 176.550 176.300 0.001 0.000 1.275 182 D CA 0.194 54.204 54.000 0.017 0.000 0.979 182 D CB 0.345 41.163 40.800 0.030 0.000 1.101 182 D HN 0.159 nan 8.370 nan 0.000 0.505 183 S N -1.018 114.682 115.700 -0.002 0.000 2.579 183 S HA 0.298 4.794 4.470 0.044 0.000 0.275 183 S C 1.065 175.617 174.600 -0.081 0.000 1.345 183 S CA -0.188 57.998 58.200 -0.025 0.000 1.031 183 S CB 1.361 64.560 63.200 -0.002 0.000 0.892 183 S HN 0.486 nan 8.310 nan 0.000 0.529 184 A N 1.447 124.153 122.820 -0.191 0.000 1.940 184 A HA -0.125 4.221 4.320 0.044 0.000 0.219 184 A C 2.179 179.644 177.584 -0.197 0.000 1.176 184 A CA 1.561 53.394 52.037 -0.340 0.000 0.631 184 A CB -0.941 17.467 19.000 -0.987 0.000 0.814 184 A HN 0.967 nan 8.150 nan 0.000 0.446 185 E N 0.172 120.303 120.200 -0.115 0.000 2.051 185 E HA -0.235 4.141 4.350 0.044 0.000 0.192 185 E C 1.985 178.581 176.600 -0.006 0.000 0.991 185 E CA 1.590 57.969 56.400 -0.035 0.000 0.799 185 E CB -0.307 29.397 29.700 0.007 0.000 0.748 185 E HN 0.765 nan 8.360 nan 0.000 0.449 186 E N -0.099 120.100 120.200 -0.002 0.000 2.051 186 E HA -0.169 4.207 4.350 0.044 0.000 0.192 186 E C 2.193 178.799 176.600 0.010 0.000 0.991 186 E CA 1.059 57.473 56.400 0.024 0.000 0.799 186 E CB 0.003 29.722 29.700 0.031 0.000 0.748 186 E HN 0.227 nan 8.360 nan 0.000 0.449 187 I N 0.880 121.439 120.570 -0.018 0.000 2.252 187 I HA -0.185 4.011 4.170 0.044 0.000 0.245 187 I C 2.522 178.583 176.117 -0.093 0.000 1.102 187 I CA 0.674 61.947 61.300 -0.045 0.000 1.385 187 I CB -1.028 36.956 38.000 -0.027 0.000 1.064 187 I HN 0.087 nan 8.210 nan 0.000 0.414 188 V N 1.460 121.345 119.914 -0.048 0.000 2.407 188 V HA -0.243 3.903 4.120 0.044 0.000 0.248 188 V C 2.828 178.961 176.094 0.065 0.000 1.055 188 V CA 1.718 64.027 62.300 0.013 0.000 1.049 188 V CB -0.999 30.821 31.823 -0.004 0.000 0.662 188 V HN 0.441 nan 8.190 nan 0.000 0.455 189 A N 0.443 123.303 122.820 0.067 0.000 1.902 189 A HA -0.104 4.242 4.320 0.044 0.000 0.217 189 A C 2.425 180.108 177.584 0.166 0.000 1.181 189 A CA 1.965 54.118 52.037 0.194 0.000 0.623 189 A CB -1.206 17.919 19.000 0.209 0.000 0.818 189 A HN 0.525 nan 8.150 nan 0.000 0.443 190 G N -1.846 106.923 108.800 -0.052 0.000 2.422 190 G HA2 -0.249 3.738 3.960 0.044 0.000 0.218 190 G HA3 -0.249 3.738 3.960 0.044 0.000 0.218 190 G C 1.555 176.251 174.900 -0.340 0.000 1.146 190 G CA 1.284 46.241 45.100 -0.239 0.000 0.769 190 G HN 0.624 nan 8.290 nan 0.000 0.547 191 Y N 1.256 121.263 120.300 -0.487 0.000 2.263 191 Y HA -0.019 4.556 4.550 0.042 0.000 0.292 191 Y C 2.637 178.530 175.900 -0.013 0.000 1.130 191 Y CA 1.214 59.202 58.100 -0.188 0.000 1.179 191 Y CB -0.174 38.203 38.460 -0.138 0.000 0.998 191 Y HN 0.025 nan 8.280 nan 0.000 0.532 192 V N 0.623 120.488 119.914 -0.082 0.000 2.515 192 V HA -0.249 3.898 4.120 0.044 0.000 0.250 192 V C 2.630 178.743 176.094 0.031 0.000 1.058 192 V CA 1.608 63.856 62.300 -0.087 0.000 1.064 192 V CB -1.488 30.367 31.823 0.055 0.000 0.675 192 V HN 0.555 nan 8.190 nan 0.000 0.461 193 A N -0.435 122.440 122.820 0.092 0.000 1.897 193 A HA -0.239 4.107 4.320 0.044 0.000 0.215 193 A C 2.271 179.738 177.584 -0.194 0.000 1.181 193 A CA 1.664 53.614 52.037 -0.145 0.000 0.620 193 A CB -0.484 18.352 19.000 -0.273 0.000 0.821 193 A HN 0.575 nan 8.150 nan 0.000 0.443 194 Q N -0.420 119.319 119.800 -0.102 0.000 2.077 194 Q HA -0.240 4.127 4.340 0.044 0.000 0.206 194 Q C 1.918 177.836 176.000 -0.135 0.000 0.989 194 Q CA 2.290 58.057 55.803 -0.060 0.000 0.853 194 Q CB -0.423 28.360 28.738 0.075 0.000 0.907 194 Q HN 0.625 nan 8.270 nan 0.000 0.418 195 C N 0.168 119.319 119.300 -0.248 0.000 2.456 195 C HA 0.115 4.601 4.460 0.044 0.000 0.279 195 C C 2.389 177.292 174.990 -0.145 0.000 1.427 195 C CA 0.528 59.413 59.018 -0.222 0.000 1.778 195 C CB -1.027 26.500 27.740 -0.355 0.000 1.842 195 C HN 0.616 nan 8.230 nan 0.000 0.531 196 A N -0.159 122.559 122.820 -0.170 0.000 2.275 196 A HA 0.301 4.648 4.320 0.044 0.000 0.212 196 A C 0.801 178.245 177.584 -0.233 0.000 1.201 196 A CA 0.270 52.197 52.037 -0.183 0.000 0.843 196 A CB -0.174 18.700 19.000 -0.210 0.000 0.873 196 A HN 0.308 nan 8.150 nan 0.000 0.492 197 V N 1.269 121.055 119.914 -0.214 0.000 2.599 197 V HA 0.046 4.192 4.120 0.044 0.000 0.300 197 V C 0.259 176.221 176.094 -0.219 0.000 1.034 197 V CA 0.383 62.552 62.300 -0.219 0.000 1.115 197 V CB 0.668 32.388 31.823 -0.171 0.000 0.934 197 V HN 0.424 nan 8.190 nan 0.000 0.485 198 L N 6.559 127.638 121.223 -0.240 0.000 2.292 198 L HA 0.658 5.025 4.340 0.044 0.000 0.284 198 L C -0.121 176.539 176.870 -0.351 0.000 1.065 198 L CA -0.157 54.509 54.840 -0.290 0.000 0.806 198 L CB 1.379 43.297 42.059 -0.236 0.000 1.175 198 L HN 0.647 nan 8.230 nan 0.000 0.431 199 V N -0.594 118.985 119.914 -0.558 0.000 3.159 199 V HA 0.825 4.971 4.120 0.044 0.000 0.308 199 V C -0.207 175.368 176.094 -0.864 0.000 1.190 199 V CA -0.612 61.348 62.300 -0.568 0.000 1.037 199 V CB 1.903 33.450 31.823 -0.459 0.000 1.060 199 V HN 0.749 nan 8.190 nan 0.000 0.437 200 T N -1.617 112.634 114.554 -0.505 0.000 2.938 200 T HA 0.578 4.954 4.350 0.044 0.000 0.285 200 T C 0.944 175.595 174.700 -0.082 0.000 1.028 200 T CA -0.003 61.892 62.100 -0.342 0.000 1.005 200 T CB 1.482 70.263 68.868 -0.144 0.000 1.157 200 T HN 0.825 nan 8.240 nan 0.000 0.550 201 V N 1.254 121.267 119.914 0.166 0.000 2.469 201 V HA -0.155 3.991 4.120 0.044 0.000 0.251 201 V C 2.575 178.744 176.094 0.124 0.000 1.064 201 V CA 1.729 64.176 62.300 0.245 0.000 1.066 201 V CB -0.957 31.023 31.823 0.261 0.000 0.667 201 V HN 0.855 nan 8.190 nan 0.000 0.461 202 K N -0.475 119.960 120.400 0.058 0.000 2.228 202 K HA -0.072 4.274 4.320 0.044 0.000 0.202 202 K C 1.774 178.374 176.600 -0.001 0.000 1.051 202 K CA 1.023 57.327 56.287 0.028 0.000 0.960 202 K CB -0.186 32.321 32.500 0.012 0.000 0.743 202 K HN 0.495 nan 8.250 nan 0.000 0.458 203 D N 1.647 122.025 120.400 -0.038 0.000 2.084 203 D HA -0.134 4.532 4.640 0.044 0.000 0.194 203 D C 2.079 178.355 176.300 -0.039 0.000 0.990 203 D CA 0.994 54.952 54.000 -0.070 0.000 0.826 203 D CB -0.200 40.515 40.800 -0.142 0.000 0.971 203 D HN 0.090 nan 8.370 nan 0.000 0.453 204 L N 1.058 122.286 121.223 0.008 0.000 2.013 204 L HA -0.237 4.129 4.340 0.044 0.000 0.212 204 L C 2.692 179.624 176.870 0.103 0.000 1.073 204 L CA 1.309 56.206 54.840 0.095 0.000 0.753 204 L CB -0.530 41.638 42.059 0.181 0.000 0.890 204 L HN -0.012 nan 8.230 nan 0.000 0.432 205 A N -0.301 122.569 122.820 0.083 0.000 1.892 205 A HA -0.193 4.153 4.320 0.044 0.000 0.218 205 A C 2.287 179.889 177.584 0.030 0.000 1.188 205 A CA 2.238 54.316 52.037 0.068 0.000 0.631 205 A CB -0.925 18.108 19.000 0.056 0.000 0.822 205 A HN 0.237 nan 8.150 nan 0.000 0.447 206 V N -0.420 119.492 119.914 -0.003 0.000 2.358 206 V HA -0.290 3.856 4.120 0.044 0.000 0.246 206 V C 2.623 178.671 176.094 -0.078 0.000 1.047 206 V CA 2.185 64.450 62.300 -0.058 0.000 1.035 206 V CB -0.749 31.046 31.823 -0.047 0.000 0.658 206 V HN 0.564 nan 8.190 nan 0.000 0.452 207 M N 0.526 120.107 119.600 -0.032 0.000 2.117 207 M HA -0.080 4.426 4.480 0.044 0.000 0.262 207 M C 2.269 178.679 176.300 0.183 0.000 1.065 207 M CA 2.162 57.460 55.300 -0.004 0.000 1.114 207 M CB -0.843 31.663 32.600 -0.156 0.000 1.361 207 M HN 0.468 nan 8.290 nan 0.000 0.408 208 G N -0.311 108.600 108.800 0.185 0.000 2.422 208 G HA2 -0.084 3.902 3.960 0.044 0.000 0.218 208 G HA3 -0.084 3.902 3.960 0.044 0.000 0.218 208 G C 1.613 176.559 174.900 0.077 0.000 1.140 208 G CA 0.841 46.037 45.100 0.160 0.000 0.775 208 G HN 0.540 nan 8.290 nan 0.000 0.545 209 A N -0.015 122.819 122.820 0.024 0.000 1.972 209 A HA -0.048 4.298 4.320 0.044 0.000 0.219 209 A C 2.519 180.081 177.584 -0.038 0.000 1.169 209 A CA 1.642 53.668 52.037 -0.018 0.000 0.635 209 A CB -0.884 18.080 19.000 -0.060 0.000 0.810 209 A HN 0.409 nan 8.150 nan 0.000 0.446 210 C N -0.758 118.508 119.300 -0.055 0.000 2.425 210 C HA -0.050 4.436 4.460 0.044 0.000 0.277 210 C C 2.599 177.603 174.990 0.022 0.000 1.280 210 C CA 1.036 60.025 59.018 -0.048 0.000 1.744 210 C CB -1.443 26.274 27.740 -0.038 0.000 1.989 210 C HN 0.633 nan 8.230 nan 0.000 0.491 211 L N 0.929 122.187 121.223 0.058 0.000 2.109 211 L HA -0.038 4.329 4.340 0.044 0.000 0.207 211 L C 2.862 179.750 176.870 0.030 0.000 1.086 211 L CA 1.388 56.257 54.840 0.049 0.000 0.760 211 L CB -0.811 41.274 42.059 0.043 0.000 0.910 211 L HN 0.266 nan 8.230 nan 0.000 0.437 212 A N 0.209 123.046 122.820 0.028 0.000 2.019 212 A HA -0.176 4.171 4.320 0.044 0.000 0.219 212 A C 2.323 179.918 177.584 0.018 0.000 1.164 212 A CA 2.005 54.056 52.037 0.023 0.000 0.644 212 A CB -0.809 18.206 19.000 0.025 0.000 0.805 212 A HN 0.516 nan 8.150 nan 0.000 0.449 213 T N -4.770 109.791 114.554 0.011 0.000 3.100 213 T HA 0.395 4.771 4.350 0.044 0.000 0.253 213 T C 1.292 176.003 174.700 0.018 0.000 1.118 213 T CA 1.090 63.196 62.100 0.011 0.000 1.058 213 T CB 0.072 68.941 68.868 0.002 0.000 0.953 213 T HN 1.672 nan 8.240 nan 0.000 0.515 214 G N 0.082 108.895 108.800 0.022 0.000 2.131 214 G HA2 0.196 4.183 3.960 0.044 0.000 0.223 214 G HA3 0.196 4.183 3.960 0.044 0.000 0.223 214 G C 0.927 175.844 174.900 0.029 0.000 0.990 214 G CA 0.196 45.311 45.100 0.025 0.000 0.671 214 G HN 1.722 nan 8.290 nan 0.000 0.521 215 G N -1.282 107.536 108.800 0.030 0.000 2.231 215 G HA2 -0.136 3.851 3.960 0.044 0.000 0.206 215 G HA3 -0.136 3.851 3.960 0.044 0.000 0.206 215 G C 0.330 175.253 174.900 0.039 0.000 0.996 215 G CA 0.065 45.187 45.100 0.037 0.000 0.645 215 G HN 1.192 nan 8.290 nan 0.000 0.498 216 I N 2.343 122.931 120.570 0.031 0.000 2.395 216 I HA 0.275 4.471 4.170 0.044 0.000 0.289 216 I C 0.756 176.895 176.117 0.036 0.000 1.023 216 I CA -0.953 60.373 61.300 0.044 0.000 1.350 216 I CB 0.894 38.916 38.000 0.036 0.000 1.409 216 I HN 0.077 nan 8.210 nan 0.000 0.507 217 H N 8.974 128.050 119.070 0.010 0.000 2.899 217 H HA 0.117 4.702 4.556 0.047 0.000 0.303 217 H C -1.662 173.666 175.328 0.000 0.000 1.042 217 H CA -1.716 54.334 56.048 0.004 0.000 1.479 217 H CB 1.506 31.265 29.762 -0.005 0.000 1.493 217 H HN 0.386 nan 8.280 nan 0.000 0.534 218 P HA -0.125 nan 4.420 nan 0.000 0.222 218 P C 1.157 178.521 177.300 0.107 0.000 1.147 218 P CA 0.916 64.024 63.100 0.014 0.000 0.790 218 P CB 0.380 32.038 31.700 -0.070 0.000 0.780 219 M N -0.859 118.913 119.600 0.286 0.000 2.509 219 M HA 0.073 4.579 4.480 0.044 0.000 0.250 219 M C 1.652 178.011 176.300 0.098 0.000 1.132 219 M CA 1.337 56.744 55.300 0.178 0.000 1.080 219 M CB -1.026 31.689 32.600 0.191 0.000 1.408 219 M HN 0.128 nan 8.290 nan 0.000 0.484 220 T N -4.673 109.954 114.554 0.123 0.000 3.115 220 T HA 0.382 4.758 4.350 0.044 0.000 0.256 220 T C 1.433 176.157 174.700 0.041 0.000 0.970 220 T CA 0.962 63.076 62.100 0.024 0.000 1.010 220 T CB 0.572 69.398 68.868 -0.070 0.000 1.151 220 T HN 0.374 nan 8.240 nan 0.000 0.479 221 G N 2.267 111.113 108.800 0.078 0.000 2.159 221 G HA2 -0.176 3.810 3.960 0.044 0.000 0.227 221 G HA3 -0.176 3.810 3.960 0.044 0.000 0.227 221 G C -0.207 174.721 174.900 0.048 0.000 0.986 221 G CA 0.168 45.301 45.100 0.055 0.000 0.651 221 G HN 1.064 nan 8.290 nan 0.000 0.523 222 E N -0.108 120.125 120.200 0.055 0.000 2.277 222 E HA 0.627 5.003 4.350 0.044 0.000 0.274 222 E C 0.223 176.859 176.600 0.060 0.000 1.022 222 E CA -1.096 55.328 56.400 0.040 0.000 0.853 222 E CB 1.326 31.035 29.700 0.015 0.000 1.086 222 E HN 0.307 nan 8.360 nan 0.000 0.397 223 R N 2.949 123.475 120.500 0.043 0.000 2.316 223 R HA 0.085 4.451 4.340 0.044 0.000 0.314 223 R C 0.540 176.869 176.300 0.048 0.000 1.069 223 R CA -0.223 55.904 56.100 0.046 0.000 0.959 223 R CB 0.512 30.831 30.300 0.033 0.000 0.987 223 R HN 0.714 nan 8.270 nan 0.000 0.446 224 M N 4.068 123.706 119.600 0.063 0.000 2.534 224 M HA 0.189 4.695 4.480 0.044 0.000 0.263 224 M C -0.075 176.255 176.300 0.049 0.000 1.152 224 M CA 0.727 56.064 55.300 0.062 0.000 1.145 224 M CB -0.157 32.500 32.600 0.096 0.000 1.333 224 M HN 0.481 nan 8.290 nan 0.000 0.477 225 L N 0.039 121.290 121.223 0.048 0.000 2.469 225 L HA 0.468 4.834 4.340 0.044 0.000 0.256 225 L C -2.492 174.402 176.870 0.039 0.000 1.006 225 L CA -1.883 52.982 54.840 0.041 0.000 0.832 225 L CB 2.576 44.663 42.059 0.046 0.000 1.421 225 L HN -0.144 nan 8.230 nan 0.000 0.410 226 P HA 0.096 nan 4.420 nan 0.000 0.278 226 P C 0.375 177.702 177.300 0.045 0.000 1.238 226 P CA -0.382 62.744 63.100 0.043 0.000 0.794 226 P CB 1.431 33.162 31.700 0.052 0.000 0.955 227 S N 2.349 118.071 115.700 0.037 0.000 2.383 227 S HA -0.213 4.283 4.470 0.044 0.000 0.229 227 S C 1.825 176.450 174.600 0.042 0.000 1.030 227 S CA 1.053 59.274 58.200 0.034 0.000 1.002 227 S CB -1.200 62.015 63.200 0.025 0.000 0.829 227 S HN 0.385 nan 8.310 nan 0.000 0.467 228 I N 1.674 122.272 120.570 0.047 0.000 2.361 228 I HA -0.054 4.142 4.170 0.044 0.000 0.251 228 I C 2.228 178.445 176.117 0.167 0.000 1.133 228 I CA 0.780 62.114 61.300 0.058 0.000 1.413 228 I CB -0.379 37.616 38.000 -0.008 0.000 1.073 228 I HN 0.204 nan 8.210 nan 0.000 0.424 229 V N 0.722 120.736 119.914 0.166 0.000 2.453 229 V HA -0.182 3.964 4.120 0.044 0.000 0.247 229 V C 2.642 178.746 176.094 0.016 0.000 1.048 229 V CA 1.592 63.960 62.300 0.114 0.000 1.049 229 V CB -1.190 30.651 31.823 0.029 0.000 0.672 229 V HN 0.533 nan 8.190 nan 0.000 0.457 230 A N -0.228 122.610 122.820 0.029 0.000 1.968 230 A HA -0.191 4.155 4.320 0.044 0.000 0.217 230 A C 2.386 179.982 177.584 0.021 0.000 1.169 230 A CA 1.640 53.687 52.037 0.016 0.000 0.638 230 A CB -0.510 18.508 19.000 0.028 0.000 0.812 230 A HN 0.452 nan 8.150 nan 0.000 0.446 231 R N -0.558 119.966 120.500 0.039 0.000 2.081 231 R HA -0.199 4.168 4.340 0.044 0.000 0.235 231 R C 2.391 178.721 176.300 0.050 0.000 1.131 231 R CA 1.870 57.995 56.100 0.041 0.000 0.960 231 R CB -0.194 30.130 30.300 0.040 0.000 0.856 231 R HN 0.412 nan 8.270 nan 0.000 0.436 232 R N 0.220 120.762 120.500 0.070 0.000 2.075 232 R HA -0.063 4.303 4.340 0.044 0.000 0.232 232 R C 1.935 178.271 176.300 0.059 0.000 1.126 232 R CA 1.692 57.839 56.100 0.078 0.000 0.963 232 R CB -0.695 29.662 30.300 0.095 0.000 0.858 232 R HN 0.131 nan 8.270 nan 0.000 0.435 233 V N -0.213 119.701 119.914 0.001 0.000 2.307 233 V HA -0.178 3.968 4.120 0.044 0.000 0.245 233 V C 2.256 178.371 176.094 0.034 0.000 1.045 233 V CA 1.743 64.070 62.300 0.046 0.000 1.024 233 V CB -0.347 31.459 31.823 -0.028 0.000 0.651 233 V HN 0.190 nan 8.190 nan 0.000 0.449 234 V N -0.408 119.515 119.914 0.015 0.000 2.667 234 V HA -0.180 3.966 4.120 0.044 0.000 0.252 234 V C 2.509 178.618 176.094 0.024 0.000 1.065 234 V CA 1.924 64.230 62.300 0.010 0.000 1.083 234 V CB -0.421 31.412 31.823 0.015 0.000 0.692 234 V HN 0.520 nan 8.190 nan 0.000 0.468 235 S N 0.007 115.731 115.700 0.040 0.000 2.368 235 S HA -0.136 4.360 4.470 0.044 0.000 0.224 235 S C 1.968 176.592 174.600 0.039 0.000 1.029 235 S CA 1.443 59.670 58.200 0.044 0.000 0.988 235 S CB -0.076 63.160 63.200 0.059 0.000 0.838 235 S HN 0.408 nan 8.310 nan 0.000 0.462 236 V N 1.714 121.662 119.914 0.056 0.000 2.719 236 V HA -0.056 4.090 4.120 0.044 0.000 0.252 236 V C 2.081 178.150 176.094 -0.042 0.000 1.065 236 V CA 1.189 63.502 62.300 0.022 0.000 1.086 236 V CB -0.594 31.270 31.823 0.068 0.000 0.700 236 V HN 0.454 nan 8.190 nan 0.000 0.467 237 M N -0.288 119.290 119.600 -0.036 0.000 2.086 237 M HA -0.173 4.333 4.480 0.044 0.000 0.261 237 M C 2.319 178.578 176.300 -0.068 0.000 1.067 237 M CA 2.208 57.460 55.300 -0.079 0.000 1.116 237 M CB -0.708 31.856 32.600 -0.061 0.000 1.348 237 M HN 0.322 nan 8.290 nan 0.000 0.407 238 T N 0.185 114.733 114.554 -0.010 0.000 2.746 238 T HA -0.116 4.260 4.350 0.044 0.000 0.267 238 T C 1.938 176.648 174.700 0.016 0.000 1.039 238 T CA 1.887 64.006 62.100 0.032 0.000 1.142 238 T CB -0.346 68.553 68.868 0.053 0.000 0.866 238 T HN 0.560 nan 8.240 nan 0.000 0.444 239 S N 0.419 116.115 115.700 -0.007 0.000 2.446 239 S HA 0.078 4.574 4.470 0.044 0.000 0.225 239 S C 1.883 176.448 174.600 -0.059 0.000 1.016 239 S CA 0.763 58.955 58.200 -0.012 0.000 0.943 239 S CB -0.008 63.191 63.200 -0.002 0.000 0.786 239 S HN 0.305 nan 8.310 nan 0.000 0.508 240 S N -0.088 115.540 115.700 -0.119 0.000 2.687 240 S HA 0.374 4.870 4.470 0.044 0.000 0.247 240 S C 1.741 176.099 174.600 -0.404 0.000 1.050 240 S CA 0.023 58.094 58.200 -0.215 0.000 1.063 240 S CB 0.324 63.411 63.200 -0.187 0.000 1.039 240 S HN 0.620 nan 8.310 nan 0.000 0.580 241 G N 2.168 110.765 108.800 -0.339 0.000 2.469 241 G HA2 -0.171 3.815 3.960 0.044 0.000 0.219 241 G HA3 -0.171 3.815 3.960 0.044 0.000 0.219 241 G C 1.041 175.579 174.900 -0.602 0.000 1.150 241 G CA 0.892 45.733 45.100 -0.431 0.000 0.763 241 G HN 0.376 nan 8.290 nan 0.000 0.561 242 M N -0.121 119.190 119.600 -0.482 0.000 2.475 242 M HA 0.329 4.835 4.480 0.044 0.000 0.261 242 M C 0.246 176.517 176.300 -0.048 0.000 1.177 242 M CA -1.100 54.003 55.300 -0.327 0.000 0.979 242 M CB -1.146 31.223 32.600 -0.386 0.000 1.482 242 M HN 0.365 nan 8.290 nan 0.000 0.484 243 Y N -0.199 120.050 120.300 -0.086 0.000 2.877 243 Y HA -0.434 4.147 4.550 0.050 0.000 0.467 243 Y C 1.406 177.291 175.900 -0.025 0.000 1.184 243 Y CA 1.418 59.489 58.100 -0.050 0.000 2.567 243 Y CB -1.516 36.916 38.460 -0.047 0.000 1.217 243 Y HN 0.197 nan 8.280 nan 0.000 0.629 244 D N 0.370 120.886 120.400 0.192 0.000 2.348 244 D HA 0.098 4.764 4.640 0.044 0.000 0.216 244 D C 1.513 177.868 176.300 0.091 0.000 0.970 244 D CA 1.207 55.267 54.000 0.100 0.000 0.889 244 D CB -0.299 40.543 40.800 0.070 0.000 0.912 244 D HN 0.506 nan 8.370 nan 0.000 0.524 245 A N 0.194 123.081 122.820 0.112 0.000 2.345 245 A HA 0.428 4.774 4.320 0.044 0.000 0.225 245 A C 2.068 179.743 177.584 0.152 0.000 1.243 245 A CA 0.582 52.692 52.037 0.121 0.000 0.875 245 A CB 0.102 19.179 19.000 0.128 0.000 0.929 245 A HN 0.120 nan 8.150 nan 0.000 0.502 246 A N 0.129 123.013 122.820 0.108 0.000 1.908 246 A HA 0.066 4.413 4.320 0.044 0.000 0.218 246 A C 2.294 179.982 177.584 0.173 0.000 1.181 246 A CA 1.948 54.060 52.037 0.126 0.000 0.627 246 A CB -1.166 17.859 19.000 0.041 0.000 0.818 246 A HN 0.690 nan 8.150 nan 0.000 0.445 247 G N -0.797 108.075 108.800 0.121 0.000 2.480 247 G HA2 -0.326 3.660 3.960 0.044 0.000 0.216 247 G HA3 -0.326 3.660 3.960 0.044 0.000 0.216 247 G C 1.611 176.584 174.900 0.122 0.000 1.200 247 G CA 1.371 46.533 45.100 0.104 0.000 0.782 247 G HN 0.584 nan 8.290 nan 0.000 0.554 248 Q N -0.637 119.242 119.800 0.131 0.000 2.096 248 Q HA -0.137 4.230 4.340 0.044 0.000 0.204 248 Q C 2.169 178.262 176.000 0.155 0.000 0.982 248 Q CA 1.737 57.615 55.803 0.126 0.000 0.850 248 Q CB -0.461 28.354 28.738 0.129 0.000 0.901 248 Q HN 0.679 nan 8.270 nan 0.000 0.422 249 W N 0.073 121.391 121.300 0.030 0.000 2.381 249 W HA -0.147 4.530 4.660 0.028 0.000 0.301 249 W C 1.504 178.030 176.519 0.010 0.000 1.205 249 W CA 0.934 58.291 57.345 0.021 0.000 1.285 249 W CB -0.263 29.204 29.460 0.012 0.000 1.133 249 W HN 0.333 nan 8.180 nan 0.000 0.521 250 L N 1.785 123.099 121.223 0.151 0.000 2.046 250 L HA -0.163 4.203 4.340 0.044 0.000 0.208 250 L C 2.338 179.225 176.870 0.028 0.000 1.077 250 L CA 2.571 57.438 54.840 0.046 0.000 0.747 250 L CB -1.494 40.633 42.059 0.113 0.000 0.896 250 L HN 0.026 nan 8.230 nan 0.000 0.432 251 A N -0.409 122.457 122.820 0.078 0.000 1.872 251 A HA -0.171 4.175 4.320 0.044 0.000 0.214 251 A C 1.852 179.513 177.584 0.128 0.000 1.187 251 A CA 1.530 53.641 52.037 0.123 0.000 0.614 251 A CB -0.492 18.545 19.000 0.062 0.000 0.826 251 A HN 0.492 nan 8.150 nan 0.000 0.442 252 D N -0.899 119.497 120.400 -0.007 0.000 2.234 252 D HA 0.009 4.675 4.640 0.044 0.000 0.205 252 D C 1.797 178.002 176.300 -0.158 0.000 0.962 252 D CA 1.302 55.265 54.000 -0.062 0.000 0.855 252 D CB 0.212 40.963 40.800 -0.082 0.000 0.951 252 D HN 0.279 nan 8.370 nan 0.000 0.500 253 V N -0.929 118.737 119.914 -0.413 0.000 2.948 253 V HA 0.265 4.411 4.120 0.044 0.000 0.234 253 V C 1.504 177.172 176.094 -0.710 0.000 1.205 253 V CA 0.673 62.595 62.300 -0.630 0.000 1.234 253 V CB 0.167 31.167 31.823 -1.372 0.000 1.020 253 V HN 0.234 nan 8.190 nan 0.000 0.491 254 G N 1.345 109.637 108.800 -0.847 0.000 2.176 254 G HA2 -0.245 3.741 3.960 0.044 0.000 0.252 254 G HA3 -0.245 3.741 3.960 0.044 0.000 0.252 254 G C -0.114 174.495 174.900 -0.484 0.000 1.024 254 G CA 0.492 44.991 45.100 -1.002 0.000 0.755 254 G HN 0.481 nan 8.290 nan 0.000 0.507 255 I N 0.455 120.887 120.570 -0.230 0.000 2.418 255 I HA 0.293 4.489 4.170 0.044 0.000 0.287 255 I C -2.327 173.954 176.117 0.274 0.000 1.008 255 I CA -2.623 58.698 61.300 0.036 0.000 1.104 255 I CB 2.371 40.414 38.000 0.072 0.000 1.264 255 I HN -0.191 nan 8.210 nan 0.000 0.438 256 P HA 0.160 nan 4.420 nan 0.000 0.261 256 P C -0.802 176.573 177.300 0.125 0.000 1.203 256 P CA 0.234 63.412 63.100 0.130 0.000 0.767 256 P CB 0.611 32.348 31.700 0.062 0.000 0.785 257 A N 3.047 125.910 122.820 0.072 0.000 2.606 257 A HA 0.800 5.146 4.320 0.044 0.000 0.293 257 A C -1.277 176.217 177.584 -0.150 0.000 1.082 257 A CA -0.571 51.468 52.037 0.002 0.000 0.685 257 A CB 1.708 20.776 19.000 0.113 0.000 1.284 257 A HN 0.289 nan 8.150 nan 0.000 0.408 258 K N 0.196 120.533 120.400 -0.106 0.000 2.513 258 K HA 0.649 4.995 4.320 0.044 0.000 0.251 258 K C -0.649 175.922 176.600 -0.048 0.000 0.939 258 K CA 0.011 56.224 56.287 -0.123 0.000 0.793 258 K CB 1.994 34.433 32.500 -0.102 0.000 1.241 258 K HN 0.913 nan 8.250 nan 0.000 0.431 259 S N 1.712 117.382 115.700 -0.050 0.000 2.687 259 S HA 0.871 5.367 4.470 0.044 0.000 0.283 259 S C -0.431 174.203 174.600 0.056 0.000 1.170 259 S CA -0.228 57.976 58.200 0.007 0.000 1.008 259 S CB 0.942 64.131 63.200 -0.018 0.000 1.026 259 S HN 0.713 nan 8.310 nan 0.000 0.541 260 G N 0.356 109.199 108.800 0.071 0.000 2.591 260 G HA2 0.463 4.450 3.960 0.044 0.000 0.306 260 G HA3 0.463 4.450 3.960 0.044 0.000 0.306 260 G C 0.593 175.532 174.900 0.065 0.000 1.334 260 G CA -0.303 44.852 45.100 0.093 0.000 0.981 260 G HN 1.291 nan 8.290 nan 0.000 0.491 261 V N -0.470 119.484 119.914 0.068 0.000 3.330 261 V HA 0.140 4.286 4.120 0.044 0.000 0.273 261 V C 1.877 177.966 176.094 -0.009 0.000 1.179 261 V CA 1.999 64.314 62.300 0.025 0.000 1.174 261 V CB -0.488 31.349 31.823 0.023 0.000 0.794 261 V HN 0.865 nan 8.190 nan 0.000 0.527 262 A N -0.341 122.497 122.820 0.030 0.000 2.308 262 A HA 0.586 4.933 4.320 0.044 0.000 0.217 262 A C 1.956 179.570 177.584 0.050 0.000 1.216 262 A CA 0.811 52.881 52.037 0.056 0.000 0.864 262 A CB -0.188 18.899 19.000 0.146 0.000 0.902 262 A HN 1.582 nan 8.150 nan 0.000 0.499 263 G N -1.884 106.908 108.800 -0.012 0.000 2.201 263 G HA2 -0.007 3.979 3.960 0.044 0.000 0.212 263 G HA3 -0.007 3.979 3.960 0.044 0.000 0.212 263 G C 0.657 175.517 174.900 -0.067 0.000 0.994 263 G CA 0.012 45.089 45.100 -0.037 0.000 0.644 263 G HN 1.330 nan 8.290 nan 0.000 0.508 264 G N -0.476 108.193 108.800 -0.219 0.000 2.395 264 G HA2 0.646 4.632 3.960 0.044 0.000 0.283 264 G HA3 0.646 4.632 3.960 0.044 0.000 0.283 264 G C -0.517 174.420 174.900 0.061 0.000 1.178 264 G CA 0.142 45.140 45.100 -0.171 0.000 0.837 264 G HN 1.020 nan 8.290 nan 0.000 0.518 265 V N 3.186 123.170 119.914 0.118 0.000 2.577 265 V HA 0.397 4.543 4.120 0.044 0.000 0.303 265 V C -0.180 176.007 176.094 0.154 0.000 1.042 265 V CA -0.862 61.508 62.300 0.116 0.000 0.872 265 V CB 1.726 33.614 31.823 0.109 0.000 0.998 265 V HN 0.702 nan 8.190 nan 0.000 0.423 266 L N 3.922 125.224 121.223 0.131 0.000 2.309 266 L HA 0.930 5.296 4.340 0.044 0.000 0.282 266 L C 0.220 177.157 176.870 0.111 0.000 1.036 266 L CA 0.075 55.000 54.840 0.141 0.000 0.806 266 L CB 1.563 43.702 42.059 0.133 0.000 1.220 266 L HN 0.831 nan 8.230 nan 0.000 0.429 267 G N 2.915 111.790 108.800 0.125 0.000 2.620 267 G HA2 0.756 4.742 3.960 0.044 0.000 0.301 267 G HA3 0.756 4.742 3.960 0.044 0.000 0.301 267 G C -1.772 173.187 174.900 0.099 0.000 1.347 267 G CA -0.323 44.850 45.100 0.122 0.000 0.971 267 G HN 0.862 nan 8.290 nan 0.000 0.488 268 A N 1.147 124.015 122.820 0.081 0.000 2.550 268 A HA 0.555 4.901 4.320 0.044 0.000 0.282 268 A C -1.547 176.068 177.584 0.053 0.000 1.071 268 A CA -0.458 51.615 52.037 0.061 0.000 0.838 268 A CB 1.263 20.290 19.000 0.045 0.000 1.361 268 A HN 1.288 nan 8.150 nan 0.000 0.408 269 L N 5.031 126.284 121.223 0.050 0.000 2.277 269 L HA 0.551 4.917 4.340 0.044 0.000 0.284 269 L C -2.229 174.662 176.870 0.033 0.000 1.028 269 L CA -1.896 52.968 54.840 0.040 0.000 0.835 269 L CB 0.868 42.951 42.059 0.040 0.000 1.215 269 L HN 0.424 nan 8.230 nan 0.000 0.425 270 P HA 0.021 nan 4.420 nan 0.000 0.261 270 P C 0.914 178.230 177.300 0.026 0.000 1.165 270 P CA 1.316 64.433 63.100 0.027 0.000 0.759 270 P CB 0.432 32.148 31.700 0.027 0.000 0.772 271 G N 3.636 112.449 108.800 0.022 0.000 2.220 271 G HA2 -0.354 3.632 3.960 0.044 0.000 0.269 271 G HA3 -0.354 3.632 3.960 0.044 0.000 0.269 271 G C 1.061 175.971 174.900 0.017 0.000 0.977 271 G CA 0.759 45.871 45.100 0.020 0.000 0.634 271 G HN 0.560 nan 8.290 nan 0.000 0.539 272 R N -1.713 118.798 120.500 0.019 0.000 2.437 272 R HA 0.660 5.026 4.340 0.044 0.000 0.184 272 R C 0.258 176.568 176.300 0.017 0.000 0.850 272 R CA 0.817 56.926 56.100 0.015 0.000 1.073 272 R CB 1.158 31.468 30.300 0.017 0.000 1.336 272 R HN 0.745 nan 8.270 nan 0.000 0.640 273 V N -0.399 119.532 119.914 0.027 0.000 3.177 273 V HA 0.655 4.801 4.120 0.044 0.000 0.287 273 V C -1.730 174.391 176.094 0.045 0.000 1.465 273 V CA -0.781 61.540 62.300 0.034 0.000 1.020 273 V CB 2.064 33.916 31.823 0.047 0.000 1.152 273 V HN 0.273 nan 8.190 nan 0.000 0.448 274 G N 4.680 113.506 108.800 0.042 0.000 2.372 274 G HA2 0.724 4.710 3.960 0.044 0.000 0.323 274 G HA3 0.724 4.710 3.960 0.044 0.000 0.323 274 G C -1.113 173.834 174.900 0.077 0.000 1.152 274 G CA -0.506 44.627 45.100 0.056 0.000 0.906 274 G HN 0.732 nan 8.290 nan 0.000 0.460 275 I N 1.200 121.832 120.570 0.103 0.000 2.530 275 I HA 0.648 4.845 4.170 0.044 0.000 0.297 275 I C 0.434 176.636 176.117 0.143 0.000 1.011 275 I CA -0.918 60.457 61.300 0.125 0.000 1.107 275 I CB 2.705 40.791 38.000 0.144 0.000 1.285 275 I HN 0.565 nan 8.210 nan 0.000 0.436 276 G N 4.613 113.504 108.800 0.151 0.000 2.666 276 G HA2 0.670 4.656 3.960 0.044 0.000 0.303 276 G HA3 0.670 4.656 3.960 0.044 0.000 0.303 276 G C -1.403 173.616 174.900 0.199 0.000 1.412 276 G CA -0.346 44.862 45.100 0.181 0.000 0.979 276 G HN 0.336 nan 8.290 nan 0.000 0.507 277 V N 2.104 122.151 119.914 0.222 0.000 2.876 277 V HA 0.727 4.873 4.120 0.044 0.000 0.312 277 V C -1.357 174.897 176.094 0.268 0.000 1.085 277 V CA -0.891 61.552 62.300 0.238 0.000 0.945 277 V CB 2.026 33.987 31.823 0.230 0.000 1.017 277 V HN 0.725 nan 8.190 nan 0.000 0.428 278 F N 2.765 122.761 119.950 0.077 0.000 2.557 278 F HA 0.802 5.354 4.527 0.042 0.000 0.316 278 F C -0.332 175.507 175.800 0.065 0.000 1.141 278 F CA -0.674 57.272 58.000 -0.091 0.000 0.922 278 F CB 2.079 41.006 39.000 -0.123 0.000 1.194 278 F HN 0.449 nan 8.300 nan 0.000 0.443 279 S N 7.717 123.154 115.700 -0.437 0.000 2.277 279 S HA 0.322 4.818 4.470 0.044 0.000 0.230 279 S C -2.408 171.926 174.600 -0.442 0.000 0.893 279 S CA -0.733 57.157 58.200 -0.517 0.000 1.044 279 S CB 1.002 63.986 63.200 -0.360 0.000 1.252 279 S HN 0.398 nan 8.310 nan 0.000 0.393 280 P HA -0.171 nan 4.420 nan 0.000 0.219 280 P C 0.026 177.228 177.300 -0.164 0.000 1.161 280 P CA 1.378 64.327 63.100 -0.252 0.000 0.909 280 P CB 0.053 31.619 31.700 -0.224 0.000 0.793 281 R N -0.084 120.308 120.500 -0.179 0.000 2.570 281 R HA 0.206 4.572 4.340 0.044 0.000 0.277 281 R C 0.134 176.369 176.300 -0.109 0.000 1.039 281 R CA -0.003 56.019 56.100 -0.131 0.000 1.065 281 R CB -0.147 30.073 30.300 -0.134 0.000 0.964 281 R HN 0.166 nan 8.270 nan 0.000 0.428 282 L N 2.380 123.560 121.223 -0.073 0.000 2.334 282 L HA 0.311 4.677 4.340 0.044 0.000 0.272 282 L C 0.240 177.087 176.870 -0.038 0.000 1.020 282 L CA -1.077 53.733 54.840 -0.048 0.000 0.812 282 L CB 1.446 43.489 42.059 -0.027 0.000 1.264 282 L HN 0.674 nan 8.230 nan 0.000 0.439 283 D N 0.037 120.421 120.400 -0.026 0.000 2.440 283 D HA -0.001 4.665 4.640 0.044 0.000 0.269 283 D C 0.853 177.146 176.300 -0.011 0.000 1.249 283 D CA -0.483 53.506 54.000 -0.018 0.000 1.055 283 D CB 0.298 41.095 40.800 -0.004 0.000 1.104 283 D HN 0.579 nan 8.370 nan 0.000 0.561 284 E N -0.228 119.967 120.200 -0.007 0.000 2.401 284 E HA -0.137 4.239 4.350 0.044 0.000 0.199 284 E C 1.443 178.036 176.600 -0.013 0.000 1.023 284 E CA 1.007 57.402 56.400 -0.008 0.000 0.859 284 E CB -0.741 28.956 29.700 -0.006 0.000 0.780 284 E HN 0.413 nan 8.360 nan 0.000 0.523 285 V N -3.920 115.986 119.914 -0.013 0.000 3.319 285 V HA 0.606 4.752 4.120 0.044 0.000 0.317 285 V C 1.238 177.306 176.094 -0.043 0.000 1.411 285 V CA 0.164 62.445 62.300 -0.033 0.000 1.112 285 V CB -0.001 31.808 31.823 -0.022 0.000 1.031 285 V HN 0.271 nan 8.190 nan 0.000 0.448 286 G N 0.653 109.443 108.800 -0.016 0.000 2.175 286 G HA2 -0.238 3.748 3.960 0.044 0.000 0.244 286 G HA3 -0.238 3.748 3.960 0.044 0.000 0.244 286 G C 0.041 174.947 174.900 0.011 0.000 0.982 286 G CA 0.230 45.331 45.100 0.002 0.000 0.641 286 G HN 0.594 nan 8.290 nan 0.000 0.527 287 N N 0.260 118.961 118.700 0.002 0.000 2.476 287 N HA 0.495 5.261 4.740 0.044 0.000 0.276 287 N C 0.187 175.688 175.510 -0.014 0.000 1.204 287 N CA 0.208 53.256 53.050 -0.003 0.000 0.974 287 N CB 1.293 39.766 38.487 -0.024 0.000 1.204 287 N HN 0.174 nan 8.380 nan 0.000 0.543 288 S N 0.326 116.015 115.700 -0.018 0.000 2.466 288 S HA 0.199 4.695 4.470 0.044 0.000 0.286 288 S C 1.317 175.894 174.600 -0.038 0.000 1.221 288 S CA -0.366 57.809 58.200 -0.041 0.000 1.091 288 S CB -0.115 63.067 63.200 -0.030 0.000 0.956 288 S HN 0.549 nan 8.310 nan 0.000 0.501 289 A N 6.589 129.369 122.820 -0.067 0.000 1.869 289 A HA -0.181 4.165 4.320 0.044 0.000 0.218 289 A C 2.230 179.770 177.584 -0.074 0.000 1.203 289 A CA 1.875 53.874 52.037 -0.063 0.000 0.638 289 A CB -0.534 18.411 19.000 -0.092 0.000 0.831 289 A HN 0.903 nan 8.150 nan 0.000 0.450 290 R N -1.078 119.316 120.500 -0.177 0.000 2.119 290 R HA 0.045 4.411 4.340 0.044 0.000 0.222 290 R C 2.402 178.683 176.300 -0.032 0.000 1.088 290 R CA 0.819 56.778 56.100 -0.235 0.000 0.984 290 R CB -0.606 29.249 30.300 -0.741 0.000 0.884 290 R HN 0.537 nan 8.270 nan 0.000 0.447 291 G N 0.941 109.742 108.800 0.002 0.000 2.491 291 G HA2 -0.282 3.704 3.960 0.044 0.000 0.218 291 G HA3 -0.282 3.704 3.960 0.044 0.000 0.218 291 G C 1.507 176.516 174.900 0.181 0.000 1.180 291 G CA 1.460 46.637 45.100 0.128 0.000 0.774 291 G HN 0.307 nan 8.290 nan 0.000 0.562 292 V N -0.998 119.018 119.914 0.170 0.000 2.453 292 V HA 0.057 4.203 4.120 0.044 0.000 0.247 292 V C 2.589 178.857 176.094 0.291 0.000 1.048 292 V CA 1.568 64.064 62.300 0.327 0.000 1.049 292 V CB -0.569 31.444 31.823 0.316 0.000 0.672 292 V HN 0.201 nan 8.190 nan 0.000 0.457 293 L N 1.736 123.058 121.223 0.165 0.000 2.083 293 L HA 0.110 4.476 4.340 0.044 0.000 0.209 293 L C 2.615 179.555 176.870 0.116 0.000 1.083 293 L CA 2.253 57.159 54.840 0.110 0.000 0.752 293 L CB -1.055 41.036 42.059 0.053 0.000 0.899 293 L HN 0.333 nan 8.230 nan 0.000 0.433 294 A N -1.696 121.223 122.820 0.167 0.000 1.969 294 A HA -0.201 4.145 4.320 0.044 0.000 0.218 294 A C 2.352 180.034 177.584 0.163 0.000 1.169 294 A CA 1.630 53.781 52.037 0.191 0.000 0.635 294 A CB -1.355 17.817 19.000 0.286 0.000 0.810 294 A HN 0.612 nan 8.150 nan 0.000 0.445 295 C N -1.391 118.019 119.300 0.183 0.000 2.457 295 C HA 0.010 4.497 4.460 0.044 0.000 0.278 295 C C 2.750 177.752 174.990 0.020 0.000 1.309 295 C CA 1.066 60.178 59.018 0.157 0.000 1.735 295 C CB -1.156 26.769 27.740 0.307 0.000 1.992 295 C HN 0.727 nan 8.230 nan 0.000 0.493 296 R N 0.557 121.045 120.500 -0.021 0.000 2.092 296 R HA -0.078 4.288 4.340 0.044 0.000 0.231 296 R C 2.350 178.628 176.300 -0.036 0.000 1.119 296 R CA 1.160 57.200 56.100 -0.100 0.000 0.970 296 R CB -0.117 30.134 30.300 -0.082 0.000 0.864 296 R HN 0.359 nan 8.270 nan 0.000 0.440 297 R N 0.660 121.169 120.500 0.015 0.000 2.066 297 R HA -0.072 4.294 4.340 0.044 0.000 0.232 297 R C 2.317 178.620 176.300 0.005 0.000 1.131 297 R CA 1.115 57.227 56.100 0.020 0.000 0.955 297 R CB -0.928 29.400 30.300 0.047 0.000 0.851 297 R HN 0.316 nan 8.270 nan 0.000 0.432 298 L N 0.384 121.635 121.223 0.047 0.000 2.042 298 L HA -0.178 4.188 4.340 0.044 0.000 0.210 298 L C 2.610 179.493 176.870 0.021 0.000 1.076 298 L CA 1.589 56.450 54.840 0.034 0.000 0.749 298 L CB -0.532 41.621 42.059 0.156 0.000 0.893 298 L HN 0.217 nan 8.230 nan 0.000 0.432 299 S N -0.351 115.356 115.700 0.012 0.000 2.368 299 S HA -0.170 4.326 4.470 0.044 0.000 0.224 299 S C 1.802 176.417 174.600 0.025 0.000 1.029 299 S CA 1.337 59.548 58.200 0.018 0.000 0.988 299 S CB -0.044 63.123 63.200 -0.054 0.000 0.838 299 S HN 0.471 nan 8.310 nan 0.000 0.462 300 E N 0.251 120.442 120.200 -0.015 0.000 2.112 300 E HA -0.064 4.312 4.350 0.044 0.000 0.190 300 E C 1.489 178.065 176.600 -0.041 0.000 0.979 300 E CA 1.105 57.494 56.400 -0.018 0.000 0.814 300 E CB -0.101 29.584 29.700 -0.025 0.000 0.762 300 E HN 0.534 nan 8.360 nan 0.000 0.460 301 D N -0.154 120.172 120.400 -0.124 0.000 2.194 301 D HA -0.035 4.631 4.640 0.044 0.000 0.204 301 D C 1.284 177.474 176.300 -0.183 0.000 0.964 301 D CA 0.905 54.766 54.000 -0.231 0.000 0.846 301 D CB 0.046 40.597 40.800 -0.416 0.000 0.962 301 D HN 0.209 nan 8.370 nan 0.000 0.490 302 F N -0.117 119.789 119.950 -0.074 0.000 2.706 302 F HA 0.211 4.760 4.527 0.038 0.000 0.308 302 F C 0.309 176.085 175.800 -0.040 0.000 1.095 302 F CA -0.679 57.266 58.000 -0.092 0.000 1.244 302 F CB 0.730 39.646 39.000 -0.140 0.000 1.063 302 F HN -0.406 nan 8.300 nan 0.000 0.582 303 R N 1.182 121.773 120.500 0.153 0.000 3.423 303 R HA -0.158 4.208 4.340 0.044 0.000 0.271 303 R C -0.716 175.661 176.300 0.129 0.000 1.093 303 R CA 0.268 56.434 56.100 0.111 0.000 0.730 303 R CB -2.792 27.552 30.300 0.073 0.000 1.190 303 R HN 0.359 nan 8.270 nan 0.000 0.437 304 L N 1.624 122.933 121.223 0.143 0.000 2.399 304 L HA 0.202 4.568 4.340 0.044 0.000 0.257 304 L C 0.726 177.647 176.870 0.085 0.000 1.236 304 L CA 0.007 54.914 54.840 0.111 0.000 1.144 304 L CB 0.035 42.170 42.059 0.128 0.000 1.379 304 L HN 0.107 nan 8.230 nan 0.000 0.414 305 H N 1.627 120.703 119.070 0.010 0.000 2.589 305 H HA 0.114 4.683 4.556 0.021 0.000 0.351 305 H C 0.420 175.748 175.328 -0.000 0.000 1.074 305 H CA -0.698 55.342 56.048 -0.012 0.000 1.203 305 H CB 2.323 32.069 29.762 -0.028 0.000 1.558 305 H HN 0.298 nan 8.280 nan 0.000 0.522 306 L N 4.039 125.257 121.223 -0.008 0.000 2.197 306 L HA -0.168 4.198 4.340 0.044 0.000 0.215 306 L C 1.567 178.542 176.870 0.175 0.000 1.095 306 L CA 1.611 56.493 54.840 0.069 0.000 0.764 306 L CB -0.177 41.883 42.059 0.002 0.000 0.897 306 L HN 0.620 nan 8.230 nan 0.000 0.436 307 M N -1.437 118.399 119.600 0.394 0.000 2.561 307 M HA 0.140 4.646 4.480 0.044 0.000 0.238 307 M C -0.074 176.267 176.300 0.067 0.000 1.131 307 M CA 0.139 55.546 55.300 0.178 0.000 1.046 307 M CB -0.713 31.946 32.600 0.099 0.000 1.532 307 M HN 0.048 nan 8.290 nan 0.000 0.497 308 D N 1.751 122.209 120.400 0.097 0.000 2.456 308 D HA 0.336 5.002 4.640 0.044 0.000 0.219 308 D C 0.504 176.829 176.300 0.043 0.000 1.126 308 D CA 0.145 54.168 54.000 0.039 0.000 0.890 308 D CB 0.942 41.772 40.800 0.050 0.000 1.025 308 D HN 0.168 nan 8.370 nan 0.000 0.511 309 G N 1.466 110.281 108.800 0.025 0.000 2.432 309 G HA2 0.117 4.103 3.960 0.044 0.000 0.239 309 G HA3 0.117 4.103 3.960 0.044 0.000 0.239 309 G C -0.046 174.866 174.900 0.019 0.000 1.291 309 G CA -0.102 45.013 45.100 0.023 0.000 0.863 309 G HN 0.368 nan 8.290 nan 0.000 0.560 310 D N -0.263 120.150 120.400 0.022 0.000 2.517 310 D HA 0.328 4.994 4.640 0.044 0.000 0.263 310 D C -0.142 176.170 176.300 0.019 0.000 1.233 310 D CA -0.298 53.712 54.000 0.017 0.000 0.849 310 D CB 0.669 41.478 40.800 0.016 0.000 1.261 310 D HN 0.337 nan 8.370 nan 0.000 0.516 311 S N 1.476 117.188 115.700 0.019 0.000 2.651 311 S HA 0.312 4.808 4.470 0.044 0.000 0.291 311 S C 0.908 175.519 174.600 0.019 0.000 1.141 311 S CA -0.730 57.485 58.200 0.025 0.000 1.027 311 S CB 1.117 64.336 63.200 0.032 0.000 1.043 311 S HN 0.412 nan 8.310 nan 0.000 0.530 312 L N 5.032 126.267 121.223 0.021 0.000 2.056 312 L HA 0.235 4.601 4.340 0.044 0.000 0.207 312 L C 1.498 178.375 176.870 0.011 0.000 1.078 312 L CA 2.574 57.423 54.840 0.015 0.000 0.749 312 L CB -1.659 40.408 42.059 0.014 0.000 0.901 312 L HN 1.096 nan 8.230 nan 0.000 0.433 313 G N -0.988 107.818 108.800 0.010 0.000 2.582 313 G HA2 -0.385 3.602 3.960 0.044 0.000 0.288 313 G HA3 -0.385 3.602 3.960 0.044 0.000 0.288 313 G C 0.967 175.865 174.900 -0.003 0.000 1.247 313 G CA 0.306 45.408 45.100 0.003 0.000 0.972 313 G HN 0.855 nan 8.290 nan 0.000 0.557 314 G N -1.425 107.377 108.800 0.003 0.000 2.535 314 G HA2 0.113 4.100 3.960 0.044 0.000 0.218 314 G HA3 0.113 4.100 3.960 0.044 0.000 0.218 314 G C 1.595 176.508 174.900 0.022 0.000 1.122 314 G CA 2.004 47.112 45.100 0.013 0.000 0.769 314 G HN 1.139 nan 8.290 nan 0.000 0.549 315 T N 1.201 115.768 114.554 0.021 0.000 3.155 315 T HA 0.164 4.540 4.350 0.044 0.000 0.264 315 T C 2.527 177.238 174.700 0.018 0.000 1.160 315 T CA 0.777 62.894 62.100 0.028 0.000 1.075 315 T CB -0.066 68.818 68.868 0.026 0.000 0.921 315 T HN 0.388 nan 8.240 nan 0.000 0.533 316 A N 0.849 123.671 122.820 0.003 0.000 2.014 316 A HA 0.116 4.462 4.320 0.044 0.000 0.218 316 A C 1.231 178.804 177.584 -0.018 0.000 1.163 316 A CA 0.512 52.543 52.037 -0.010 0.000 0.652 316 A CB -0.108 18.875 19.000 -0.027 0.000 0.808 316 A HN 0.364 nan 8.150 nan 0.000 0.449 317 V N 1.116 121.022 119.914 -0.013 0.000 2.339 317 V HA 0.152 4.298 4.120 0.044 0.000 0.261 317 V C 1.442 177.535 176.094 -0.002 0.000 1.058 317 V CA -0.160 62.125 62.300 -0.026 0.000 0.897 317 V CB 0.461 32.274 31.823 -0.016 0.000 1.052 317 V HN 0.606 nan 8.190 nan 0.000 0.480 318 R N 4.165 124.648 120.500 -0.028 0.000 2.073 318 R HA 0.010 4.376 4.340 0.044 0.000 0.234 318 R C 0.259 176.665 176.300 0.176 0.000 1.134 318 R CA 1.614 57.747 56.100 0.055 0.000 0.952 318 R CB 0.255 30.579 30.300 0.041 0.000 0.850 318 R HN 0.714 nan 8.270 nan 0.000 0.433 319 F N -4.676 115.290 119.950 0.026 0.000 2.793 319 F HA 0.417 4.971 4.527 0.044 0.000 0.316 319 F C -1.842 173.971 175.800 0.022 0.000 1.147 319 F CA -1.490 56.504 58.000 -0.010 0.000 0.930 319 F CB 1.144 40.113 39.000 -0.053 0.000 1.277 319 F HN -0.369 nan 8.300 nan 0.000 0.443 320 V N 1.790 121.834 119.914 0.216 0.000 2.380 320 V HA 0.429 4.575 4.120 0.044 0.000 0.286 320 V C -0.855 175.374 176.094 0.226 0.000 1.015 320 V CA -0.526 61.864 62.300 0.150 0.000 0.834 320 V CB 1.307 33.153 31.823 0.037 0.000 1.009 320 V HN 0.786 nan 8.190 nan 0.000 0.428 321 E N 3.132 123.531 120.200 0.332 0.000 2.158 321 E HA 0.493 4.869 4.350 0.044 0.000 0.271 321 E C -0.463 176.298 176.600 0.268 0.000 0.911 321 E CA -1.052 55.505 56.400 0.263 0.000 0.767 321 E CB 2.262 32.107 29.700 0.241 0.000 1.120 321 E HN 0.395 nan 8.360 nan 0.000 0.405 322 R N 2.640 123.240 120.500 0.166 0.000 3.171 322 R HA 0.041 4.407 4.340 0.044 0.000 0.241 322 R C 0.741 177.131 176.300 0.150 0.000 1.421 322 R CA 0.000 56.185 56.100 0.141 0.000 1.444 322 R CB -0.295 30.051 30.300 0.077 0.000 1.247 322 R HN 0.469 nan 8.270 nan 0.000 0.636 323 E N 1.339 121.689 120.200 0.251 0.000 2.085 323 E HA -0.066 4.310 4.350 0.044 0.000 0.194 323 E C 0.737 177.418 176.600 0.134 0.000 0.994 323 E CA 2.052 58.574 56.400 0.204 0.000 0.801 323 E CB 0.229 30.144 29.700 0.357 0.000 0.743 323 E HN 0.681 nan 8.360 nan 0.000 0.453 324 G N -1.237 107.638 108.800 0.126 0.000 3.482 324 G HA2 -0.106 3.880 3.960 0.044 0.000 0.120 324 G HA3 -0.106 3.880 3.960 0.044 0.000 0.120 324 G C 0.573 175.503 174.900 0.050 0.000 1.169 324 G CA 0.339 45.483 45.100 0.075 0.000 1.382 324 G HN 0.201 nan 8.290 nan 0.000 0.629 325 D N 0.952 121.377 120.400 0.040 0.000 2.324 325 D HA 0.114 4.780 4.640 0.044 0.000 0.212 325 D C 1.255 177.548 176.300 -0.011 0.000 0.984 325 D CA 0.218 54.225 54.000 0.012 0.000 0.885 325 D CB 0.190 40.994 40.800 0.007 0.000 0.996 325 D HN 0.526 nan 8.370 nan 0.000 0.505 326 R N -0.347 120.143 120.500 -0.017 0.000 2.536 326 R HA 0.628 4.994 4.340 0.044 0.000 0.279 326 R C -0.812 175.419 176.300 -0.115 0.000 1.001 326 R CA -0.838 55.189 56.100 -0.121 0.000 1.027 326 R CB 1.664 31.830 30.300 -0.222 0.000 1.096 326 R HN -0.201 nan 8.270 nan 0.000 0.502 327 V N 2.416 122.200 119.914 -0.218 0.000 2.555 327 V HA 0.412 4.559 4.120 0.044 0.000 0.302 327 V C -1.045 174.903 176.094 -0.244 0.000 1.038 327 V CA -0.713 61.531 62.300 -0.094 0.000 0.887 327 V CB 1.424 33.223 31.823 -0.039 0.000 0.991 327 V HN 0.576 nan 8.190 nan 0.000 0.434 328 F N 5.069 125.073 119.950 0.090 0.000 2.388 328 F HA 0.606 5.158 4.527 0.043 0.000 0.358 328 F C -0.237 175.629 175.800 0.110 0.000 1.122 328 F CA -0.589 57.496 58.000 0.141 0.000 1.056 328 F CB 1.566 40.733 39.000 0.278 0.000 1.155 328 F HN 0.270 nan 8.300 nan 0.000 0.461 329 L N 5.409 126.705 121.223 0.121 0.000 2.318 329 L HA 0.503 4.869 4.340 0.044 0.000 0.277 329 L C -1.102 175.693 176.870 -0.125 0.000 1.008 329 L CA -0.471 54.358 54.840 -0.018 0.000 0.846 329 L CB -0.065 41.958 42.059 -0.059 0.000 1.220 329 L HN 0.454 nan 8.230 nan 0.000 0.423 330 H N 4.570 123.345 119.070 -0.492 0.000 2.467 330 H HA 0.691 5.273 4.556 0.043 0.000 0.331 330 H C -0.556 174.583 175.328 -0.313 0.000 1.120 330 H CA -0.314 55.460 56.048 -0.457 0.000 1.270 330 H CB 1.360 30.648 29.762 -0.789 0.000 1.466 330 H HN 0.548 nan 8.280 nan 0.000 0.504 331 L N 2.107 123.267 121.223 -0.104 0.000 2.303 331 L HA 0.584 4.950 4.340 0.044 0.000 0.266 331 L C -0.250 176.605 176.870 -0.025 0.000 1.011 331 L CA -0.918 53.882 54.840 -0.067 0.000 0.818 331 L CB 1.776 43.792 42.059 -0.071 0.000 1.326 331 L HN 0.699 nan 8.230 nan 0.000 0.435 332 Q N 0.170 119.963 119.800 -0.011 0.000 2.630 332 Q HA 0.682 5.048 4.340 0.044 0.000 0.295 332 Q C -0.338 175.666 176.000 0.007 0.000 0.944 332 Q CA -0.412 55.397 55.803 0.010 0.000 0.766 332 Q CB 2.260 31.016 28.738 0.031 0.000 1.471 332 Q HN 0.845 nan 8.270 nan 0.000 0.416 333 G N -0.381 108.427 108.800 0.013 0.000 2.681 333 G HA2 -0.169 3.817 3.960 0.044 0.000 0.220 333 G HA3 -0.169 3.817 3.960 0.044 0.000 0.220 333 G C -0.905 174.000 174.900 0.008 0.000 1.353 333 G CA -0.426 44.681 45.100 0.012 0.000 0.872 333 G HN 0.948 nan 8.290 nan 0.000 0.557 334 V N 1.140 121.060 119.914 0.011 0.000 2.353 334 V HA 0.399 4.545 4.120 0.044 0.000 0.264 334 V C 0.981 177.081 176.094 0.009 0.000 1.049 334 V CA -0.157 62.150 62.300 0.011 0.000 0.896 334 V CB 0.685 32.517 31.823 0.016 0.000 1.025 334 V HN 0.552 nan 8.190 nan 0.000 0.475 335 I N 6.756 127.328 120.570 0.003 0.000 2.352 335 I HA 0.435 4.631 4.170 0.044 0.000 0.290 335 I C 0.724 176.846 176.117 0.008 0.000 1.036 335 I CA 0.049 61.347 61.300 -0.003 0.000 1.336 335 I CB 0.438 38.426 38.000 -0.019 0.000 1.407 335 I HN 0.621 nan 8.210 nan 0.000 0.497 336 R N 3.481 123.993 120.500 0.020 0.000 3.315 336 R HA 0.355 4.721 4.340 0.044 0.000 0.239 336 R C 0.733 177.072 176.300 0.066 0.000 1.532 336 R CA -0.797 55.337 56.100 0.057 0.000 1.033 336 R CB 0.306 30.653 30.300 0.080 0.000 1.586 336 R HN 0.414 nan 8.270 nan 0.000 0.512 337 F N 1.643 121.591 119.950 -0.004 0.000 2.120 337 F HA -0.160 4.395 4.527 0.046 0.000 0.300 337 F C 1.839 177.636 175.800 -0.004 0.000 1.095 337 F CA 2.325 60.322 58.000 -0.005 0.000 1.249 337 F CB -0.588 38.410 39.000 -0.005 0.000 0.995 337 F HN 0.663 nan 8.300 nan 0.000 0.480 338 G N -0.402 108.476 108.800 0.129 0.000 2.514 338 G HA2 -0.255 3.731 3.960 0.044 0.000 0.217 338 G HA3 -0.255 3.731 3.960 0.044 0.000 0.217 338 G C 1.899 176.751 174.900 -0.081 0.000 1.198 338 G CA 0.827 45.954 45.100 0.045 0.000 0.780 338 G HN 0.611 nan 8.290 nan 0.000 0.565 339 G N 0.882 109.646 108.800 -0.060 0.000 2.394 339 G HA2 0.115 4.101 3.960 0.044 0.000 0.214 339 G HA3 0.115 4.101 3.960 0.044 0.000 0.214 339 G C 2.113 176.939 174.900 -0.124 0.000 1.176 339 G CA 1.505 46.562 45.100 -0.071 0.000 0.786 339 G HN 0.684 nan 8.290 nan 0.000 0.533 340 A N 0.808 123.536 122.820 -0.152 0.000 1.917 340 A HA -0.153 4.193 4.320 0.044 0.000 0.219 340 A C 2.188 179.614 177.584 -0.263 0.000 1.182 340 A CA 2.220 54.148 52.037 -0.181 0.000 0.633 340 A CB -0.513 18.385 19.000 -0.170 0.000 0.819 340 A HN 0.408 nan 8.150 nan 0.000 0.448 341 E N 0.294 120.228 120.200 -0.442 0.000 2.058 341 E HA -0.192 4.184 4.350 0.044 0.000 0.194 341 E C 2.200 178.665 176.600 -0.225 0.000 0.997 341 E CA 1.498 57.619 56.400 -0.465 0.000 0.801 341 E CB -0.363 28.915 29.700 -0.703 0.000 0.746 341 E HN 0.490 nan 8.360 nan 0.000 0.450 342 A N 0.766 123.488 122.820 -0.165 0.000 1.933 342 A HA -0.106 4.240 4.320 0.044 0.000 0.218 342 A C 2.571 180.109 177.584 -0.077 0.000 1.175 342 A CA 1.437 53.420 52.037 -0.089 0.000 0.628 342 A CB -0.669 18.296 19.000 -0.058 0.000 0.814 342 A HN 0.204 nan 8.150 nan 0.000 0.444 343 V N 0.301 120.159 119.914 -0.092 0.000 2.287 343 V HA -0.282 3.864 4.120 0.044 0.000 0.248 343 V C 2.517 178.567 176.094 -0.073 0.000 1.053 343 V CA 2.052 64.306 62.300 -0.078 0.000 1.027 343 V CB -0.770 31.002 31.823 -0.084 0.000 0.646 343 V HN 0.597 nan 8.190 nan 0.000 0.447 344 L N -0.202 120.967 121.223 -0.090 0.000 2.265 344 L HA -0.180 4.187 4.340 0.044 0.000 0.215 344 L C 2.141 178.980 176.870 -0.053 0.000 1.117 344 L CA 1.240 56.036 54.840 -0.073 0.000 0.782 344 L CB -0.662 41.343 42.059 -0.090 0.000 0.914 344 L HN 0.370 nan 8.230 nan 0.000 0.441 345 D N 0.058 120.427 120.400 -0.051 0.000 2.162 345 D HA -0.065 4.601 4.640 0.044 0.000 0.203 345 D C 2.241 178.530 176.300 -0.018 0.000 0.967 345 D CA 1.238 55.222 54.000 -0.027 0.000 0.840 345 D CB 0.019 40.806 40.800 -0.021 0.000 0.972 345 D HN 0.248 nan 8.370 nan 0.000 0.482 346 A N 0.869 123.674 122.820 -0.025 0.000 1.835 346 A HA -0.129 4.217 4.320 0.044 0.000 0.215 346 A C 2.310 179.880 177.584 -0.024 0.000 1.199 346 A CA 1.034 53.059 52.037 -0.021 0.000 0.615 346 A CB -1.002 17.979 19.000 -0.031 0.000 0.838 346 A HN 0.185 nan 8.150 nan 0.000 0.444 347 L N -0.563 120.640 121.223 -0.034 0.000 2.021 347 L HA -0.247 4.119 4.340 0.044 0.000 0.215 347 L C 2.814 179.669 176.870 -0.025 0.000 1.074 347 L CA 2.061 56.881 54.840 -0.034 0.000 0.760 347 L CB -1.243 40.792 42.059 -0.041 0.000 0.889 347 L HN 0.396 nan 8.230 nan 0.000 0.433 348 T N -1.362 113.179 114.554 -0.022 0.000 2.788 348 T HA -0.165 4.211 4.350 0.044 0.000 0.268 348 T C 1.222 175.917 174.700 -0.008 0.000 1.044 348 T CA 1.333 63.424 62.100 -0.015 0.000 1.139 348 T CB -0.317 68.544 68.868 -0.012 0.000 0.867 348 T HN 0.264 nan 8.240 nan 0.000 0.454 349 D N 0.965 121.362 120.400 -0.004 0.000 2.407 349 D HA 0.082 4.748 4.640 0.044 0.000 0.234 349 D C 0.103 176.404 176.300 0.002 0.000 1.029 349 D CA 0.387 54.390 54.000 0.004 0.000 0.937 349 D CB -0.380 40.427 40.800 0.012 0.000 0.882 349 D HN 0.399 nan 8.370 nan 0.000 0.531 350 L N 0.417 121.637 121.223 -0.005 0.000 2.331 350 L HA 0.413 4.779 4.340 0.044 0.000 0.275 350 L C 0.551 177.417 176.870 -0.007 0.000 1.022 350 L CA -1.066 53.770 54.840 -0.006 0.000 0.812 350 L CB 1.457 43.508 42.059 -0.014 0.000 1.257 350 L HN -0.395 nan 8.230 nan 0.000 0.435 351 R N 1.495 121.992 120.500 -0.005 0.000 2.419 351 R HA 0.155 4.521 4.340 0.044 0.000 0.305 351 R C 0.508 176.802 176.300 -0.010 0.000 1.242 351 R CA -0.159 55.937 56.100 -0.006 0.000 1.105 351 R CB -0.310 29.988 30.300 -0.003 0.000 1.116 351 R HN 0.681 nan 8.270 nan 0.000 0.523 352 T N -1.719 112.828 114.554 -0.012 0.000 3.248 352 T HA 0.460 4.836 4.350 0.044 0.000 0.271 352 T C 0.568 175.260 174.700 -0.013 0.000 1.005 352 T CA -0.252 61.839 62.100 -0.015 0.000 0.902 352 T CB 0.635 69.490 68.868 -0.020 0.000 1.102 352 T HN 0.477 nan 8.240 nan 0.000 0.548 353 G N 0.198 108.991 108.800 -0.011 0.000 2.466 353 G HA2 0.557 4.543 3.960 0.044 0.000 0.291 353 G HA3 0.557 4.543 3.960 0.044 0.000 0.291 353 G C -0.966 173.929 174.900 -0.009 0.000 1.460 353 G CA -0.485 44.609 45.100 -0.010 0.000 0.791 353 G HN 0.529 nan 8.290 nan 0.000 0.505 354 A N 0.478 123.294 122.820 -0.008 0.000 2.526 354 A HA 0.451 4.797 4.320 0.044 0.000 0.267 354 A C 0.848 178.426 177.584 -0.009 0.000 1.095 354 A CA 0.736 52.768 52.037 -0.008 0.000 0.775 354 A CB -0.584 18.411 19.000 -0.008 0.000 1.036 354 A HN 1.036 nan 8.150 nan 0.000 0.510 355 E N 2.085 122.279 120.200 -0.009 0.000 1.795 355 E HA 0.252 4.628 4.350 0.044 0.000 0.261 355 E C -0.167 176.425 176.600 -0.013 0.000 1.238 355 E CA -0.128 56.266 56.400 -0.010 0.000 1.001 355 E CB -0.227 29.468 29.700 -0.008 0.000 1.065 355 E HN 0.520 nan 8.360 nan 0.000 0.418 356 K N 2.275 122.666 120.400 -0.014 0.000 3.174 356 K HA 0.277 4.623 4.320 0.044 0.000 0.207 356 K C -2.090 174.498 176.600 -0.020 0.000 1.190 356 K CA -1.357 54.920 56.287 -0.018 0.000 1.054 356 K CB -0.019 32.472 32.500 -0.015 0.000 1.154 356 K HN 0.293 nan 8.250 nan 0.000 0.495 357 P HA 0.083 nan 4.420 nan 0.000 0.270 357 P C -0.191 177.089 177.300 -0.033 0.000 1.221 357 P CA -0.142 62.944 63.100 -0.022 0.000 0.788 357 P CB 0.717 32.404 31.700 -0.021 0.000 0.904 358 G N 0.137 108.923 108.800 -0.024 0.000 3.428 358 G HA2 0.264 4.250 3.960 0.044 0.000 0.344 358 G HA3 0.264 4.250 3.960 0.044 0.000 0.344 358 G C 0.965 175.841 174.900 -0.039 0.000 1.256 358 G CA -0.313 44.771 45.100 -0.028 0.000 1.209 358 G HN 0.471 nan 8.290 nan 0.000 0.470 359 T N 1.073 115.560 114.554 -0.113 0.000 2.731 359 T HA -0.256 4.120 4.350 0.044 0.000 0.263 359 T C 2.367 177.022 174.700 -0.076 0.000 1.033 359 T CA 2.725 64.694 62.100 -0.218 0.000 1.160 359 T CB -0.248 68.292 68.868 -0.545 0.000 0.849 359 T HN 1.570 nan 8.240 nan 0.000 0.469 360 G N 0.551 109.343 108.800 -0.013 0.000 2.317 360 G HA2 -0.192 3.794 3.960 0.044 0.000 0.227 360 G HA3 -0.192 3.794 3.960 0.044 0.000 0.227 360 G C 0.035 175.080 174.900 0.240 0.000 1.042 360 G CA 0.149 45.332 45.100 0.139 0.000 0.623 360 G HN 0.732 nan 8.290 nan 0.000 0.509 361 W N 0.904 122.260 121.300 0.093 0.000 2.844 361 W HA 0.740 5.427 4.660 0.045 0.000 0.340 361 W C -1.378 175.224 176.519 0.139 0.000 1.093 361 W CA -1.434 55.975 57.345 0.106 0.000 1.212 361 W CB 1.012 30.493 29.460 0.035 0.000 1.422 361 W HN 0.025 nan 8.180 nan 0.000 0.515 362 D N 1.965 122.584 120.400 0.365 0.000 2.352 362 D HA 0.307 4.973 4.640 0.044 0.000 0.245 362 D C 1.361 177.842 176.300 0.301 0.000 1.224 362 D CA 0.253 54.361 54.000 0.181 0.000 0.879 362 D CB 1.577 42.470 40.800 0.154 0.000 1.057 362 D HN 0.449 nan 8.370 nan 0.000 0.491 363 A N 4.253 127.056 122.820 -0.029 0.000 1.986 363 A HA -0.161 4.185 4.320 0.044 0.000 0.220 363 A C 2.118 179.830 177.584 0.213 0.000 1.171 363 A CA 2.000 54.109 52.037 0.119 0.000 0.640 363 A CB -0.486 18.441 19.000 -0.122 0.000 0.811 363 A HN 0.654 nan 8.150 nan 0.000 0.451 364 A N -0.803 122.071 122.820 0.091 0.000 1.933 364 A HA 0.036 4.382 4.320 0.044 0.000 0.218 364 A C 2.183 179.772 177.584 0.008 0.000 1.175 364 A CA 1.774 53.837 52.037 0.043 0.000 0.628 364 A CB -0.687 18.317 19.000 0.007 0.000 0.814 364 A HN 0.418 nan 8.150 nan 0.000 0.444 365 V N -2.032 117.874 119.914 -0.013 0.000 2.488 365 V HA -0.111 4.035 4.120 0.044 0.000 0.246 365 V C 0.602 176.444 176.094 -0.420 0.000 1.046 365 V CA 0.945 63.098 62.300 -0.245 0.000 1.053 365 V CB -0.743 30.854 31.823 -0.376 0.000 0.679 365 V HN 0.615 nan 8.190 nan 0.000 0.458 366 Y N 1.037 121.287 120.300 -0.083 0.000 2.902 366 Y HA 0.342 4.919 4.550 0.045 0.000 0.353 366 Y C -1.360 174.520 175.900 -0.034 0.000 1.116 366 Y CA -2.620 55.289 58.100 -0.317 0.000 1.222 366 Y CB 0.172 38.056 38.460 -0.960 0.000 1.302 366 Y HN 0.178 nan 8.280 nan 0.000 0.590 367 P HA -0.214 nan 4.420 nan 0.000 0.216 367 P C 1.300 178.701 177.300 0.167 0.000 1.150 367 P CA 1.405 64.592 63.100 0.145 0.000 0.837 367 P CB 0.551 32.292 31.700 0.067 0.000 0.786 368 R N -0.681 119.894 120.500 0.125 0.000 2.083 368 R HA -0.137 4.229 4.340 0.044 0.000 0.237 368 R C 2.284 178.747 176.300 0.271 0.000 1.137 368 R CA 1.317 57.525 56.100 0.179 0.000 0.951 368 R CB -1.507 28.910 30.300 0.195 0.000 0.851 368 R HN 0.340 nan 8.270 nan 0.000 0.434 369 W N 1.649 122.877 121.300 -0.119 0.000 2.363 369 W HA -0.097 4.591 4.660 0.046 0.000 0.296 369 W C 2.348 178.814 176.519 -0.088 0.000 1.212 369 W CA 0.579 57.688 57.345 -0.394 0.000 1.260 369 W CB -1.090 27.624 29.460 -1.244 0.000 1.131 369 W HN 0.328 nan 8.180 nan 0.000 0.530 370 Q N 0.514 120.624 119.800 0.518 0.000 2.079 370 Q HA -0.193 4.173 4.340 0.044 0.000 0.200 370 Q C 1.903 178.084 176.000 0.302 0.000 0.974 370 Q CA 2.000 58.166 55.803 0.606 0.000 0.840 370 Q CB -0.114 28.934 28.738 0.517 0.000 0.898 370 Q HN 0.332 nan 8.270 nan 0.000 0.430 371 E N 0.336 120.668 120.200 0.220 0.000 2.031 371 E HA -0.210 4.166 4.350 0.044 0.000 0.193 371 E C 2.015 178.682 176.600 0.113 0.000 0.994 371 E CA 1.049 57.534 56.400 0.140 0.000 0.800 371 E CB -0.247 29.520 29.700 0.111 0.000 0.752 371 E HN 0.484 nan 8.360 nan 0.000 0.447 372 A N 1.583 124.464 122.820 0.101 0.000 1.940 372 A HA -0.160 4.186 4.320 0.044 0.000 0.219 372 A C 2.404 180.019 177.584 0.052 0.000 1.176 372 A CA 1.833 53.898 52.037 0.047 0.000 0.631 372 A CB -0.683 18.314 19.000 -0.005 0.000 0.814 372 A HN 0.301 nan 8.150 nan 0.000 0.446 373 A N -0.338 122.548 122.820 0.109 0.000 2.015 373 A HA 0.235 4.581 4.320 0.044 0.000 0.219 373 A C 2.414 180.066 177.584 0.114 0.000 1.163 373 A CA 1.694 53.811 52.037 0.133 0.000 0.646 373 A CB -0.862 18.299 19.000 0.269 0.000 0.806 373 A HN 1.091 nan 8.150 nan 0.000 0.448 374 A N -0.667 122.222 122.820 0.115 0.000 1.978 374 A HA -0.142 4.204 4.320 0.044 0.000 0.220 374 A C 1.242 178.865 177.584 0.064 0.000 1.170 374 A CA 1.644 53.734 52.037 0.089 0.000 0.636 374 A CB -0.191 18.860 19.000 0.085 0.000 0.810 374 A HN 0.413 nan 8.150 nan 0.000 0.448 375 D N -0.696 119.734 120.400 0.051 0.000 2.460 375 D HA 0.165 4.832 4.640 0.044 0.000 0.268 375 D C 1.322 177.632 176.300 0.015 0.000 1.153 375 D CA -0.423 53.596 54.000 0.032 0.000 0.929 375 D CB 0.275 41.087 40.800 0.020 0.000 1.015 375 D HN 0.513 nan 8.370 nan 0.000 0.502 376 R N 1.853 122.372 120.500 0.031 0.000 2.152 376 R HA -0.053 4.313 4.340 0.044 0.000 0.232 376 R C 1.503 177.754 176.300 -0.083 0.000 1.117 376 R CA 1.091 57.199 56.100 0.014 0.000 0.981 376 R CB -0.227 30.121 30.300 0.079 0.000 0.870 376 R HN 0.182 nan 8.270 nan 0.000 0.451 377 A N 1.587 124.361 122.820 -0.077 0.000 1.929 377 A HA 0.136 4.482 4.320 0.044 0.000 0.216 377 A C 2.460 179.933 177.584 -0.186 0.000 1.176 377 A CA 1.169 53.074 52.037 -0.222 0.000 0.628 377 A CB -0.449 18.524 19.000 -0.044 0.000 0.816 377 A HN 0.490 nan 8.150 nan 0.000 0.444 378 A N -0.520 122.245 122.820 -0.093 0.000 1.897 378 A HA 0.046 4.392 4.320 0.044 0.000 0.215 378 A C 2.070 179.604 177.584 -0.084 0.000 1.181 378 A CA 1.586 53.581 52.037 -0.071 0.000 0.620 378 A CB -0.559 18.419 19.000 -0.036 0.000 0.821 378 A HN 0.610 nan 8.150 nan 0.000 0.443 379 L N -0.246 120.927 121.223 -0.083 0.000 2.141 379 L HA -0.021 4.345 4.340 0.044 0.000 0.209 379 L C 2.478 179.283 176.870 -0.108 0.000 1.094 379 L CA 2.288 57.076 54.840 -0.087 0.000 0.763 379 L CB -0.532 41.483 42.059 -0.074 0.000 0.908 379 L HN 0.334 nan 8.230 nan 0.000 0.437 380 S N -1.198 114.411 115.700 -0.152 0.000 2.453 380 S HA -0.002 4.494 4.470 0.044 0.000 0.231 380 S C 2.013 176.526 174.600 -0.144 0.000 1.005 380 S CA 0.850 58.945 58.200 -0.174 0.000 0.949 380 S CB -0.173 62.820 63.200 -0.346 0.000 0.774 380 S HN 0.589 nan 8.310 nan 0.000 0.510 381 A N 0.649 123.386 122.820 -0.137 0.000 1.975 381 A HA 0.524 4.870 4.320 0.044 0.000 0.215 381 A C 2.278 179.822 177.584 -0.066 0.000 1.170 381 A CA 1.106 53.088 52.037 -0.091 0.000 0.656 381 A CB -0.891 18.061 19.000 -0.080 0.000 0.821 381 A HN 0.650 nan 8.150 nan 0.000 0.449 382 A N -0.312 122.466 122.820 -0.071 0.000 2.067 382 A HA 0.050 4.396 4.320 0.044 0.000 0.217 382 A C 2.257 179.804 177.584 -0.062 0.000 1.156 382 A CA 2.137 54.137 52.037 -0.061 0.000 0.683 382 A CB -0.685 18.277 19.000 -0.063 0.000 0.808 382 A HN 0.639 nan 8.150 nan 0.000 0.455 383 T N -5.299 109.213 114.554 -0.069 0.000 3.046 383 T HA 0.438 4.815 4.350 0.044 0.000 0.242 383 T C 1.168 175.840 174.700 -0.047 0.000 1.018 383 T CA 1.127 63.188 62.100 -0.065 0.000 1.131 383 T CB 0.152 68.973 68.868 -0.079 0.000 0.904 383 T HN 1.649 nan 8.240 nan 0.000 0.459 384 G N 0.467 109.240 108.800 -0.045 0.000 2.629 384 G HA2 0.176 4.163 3.960 0.044 0.000 0.154 384 G HA3 0.176 4.163 3.960 0.044 0.000 0.154 384 G C 0.467 175.357 174.900 -0.018 0.000 1.077 384 G CA -0.239 44.844 45.100 -0.028 0.000 0.831 384 G HN 0.858 nan 8.290 nan 0.000 0.495 385 G N -0.133 108.653 108.800 -0.023 0.000 3.448 385 G HA2 0.571 4.558 3.960 0.044 0.000 0.261 385 G HA3 0.571 4.558 3.960 0.044 0.000 0.261 385 G C 1.557 176.492 174.900 0.057 0.000 1.173 385 G CA 1.385 46.488 45.100 0.006 0.000 0.835 385 G HN 1.909 nan 8.290 nan 0.000 0.534 386 G N 0.534 109.367 108.800 0.055 0.000 2.632 386 G HA2 -0.050 3.936 3.960 0.044 0.000 0.322 386 G HA3 -0.050 3.936 3.960 0.044 0.000 0.322 386 G C 1.266 176.294 174.900 0.213 0.000 1.326 386 G CA 0.757 45.916 45.100 0.098 0.000 0.986 386 G HN 1.304 nan 8.290 nan 0.000 0.541 387 A N -1.128 121.792 122.820 0.166 0.000 2.423 387 A HA 0.602 4.948 4.320 0.044 0.000 0.246 387 A C 2.135 179.735 177.584 0.027 0.000 1.278 387 A CA 1.285 53.392 52.037 0.117 0.000 0.903 387 A CB 0.151 19.198 19.000 0.079 0.000 0.997 387 A HN 1.221 nan 8.150 nan 0.000 0.510 388 V N 1.132 121.115 119.914 0.115 0.000 2.469 388 V HA -0.275 3.871 4.120 0.044 0.000 0.251 388 V C 2.556 178.684 176.094 0.056 0.000 1.064 388 V CA 2.118 64.455 62.300 0.061 0.000 1.066 388 V CB -1.105 30.756 31.823 0.063 0.000 0.667 388 V HN 0.936 nan 8.190 nan 0.000 0.461 389 H N 0.574 119.655 119.070 0.018 0.000 2.545 389 H HA -0.067 4.515 4.556 0.043 0.000 0.282 389 H C 1.654 177.001 175.328 0.030 0.000 1.020 389 H CA 1.307 57.368 56.048 0.021 0.000 1.243 389 H CB -0.401 29.373 29.762 0.019 0.000 1.377 389 H HN 0.550 nan 8.280 nan 0.000 0.581 390 E N 0.686 120.594 120.200 -0.486 0.000 2.478 390 E HA 0.053 4.429 4.350 0.044 0.000 0.198 390 E C 2.128 178.669 176.600 -0.099 0.000 1.046 390 E CA 0.489 56.705 56.400 -0.306 0.000 0.870 390 E CB 0.168 29.720 29.700 -0.246 0.000 0.818 390 E HN 0.623 nan 8.360 nan 0.000 0.527 391 A N 1.569 124.353 122.820 -0.060 0.000 1.855 391 A HA 0.029 4.376 4.320 0.044 0.000 0.213 391 A C 2.413 179.996 177.584 -0.001 0.000 1.195 391 A CA 1.234 53.261 52.037 -0.017 0.000 0.610 391 A CB -0.511 18.483 19.000 -0.010 0.000 0.837 391 A HN 0.278 nan 8.150 nan 0.000 0.444 392 A N -0.177 122.651 122.820 0.013 0.000 2.019 392 A HA 0.176 4.523 4.320 0.044 0.000 0.219 392 A C 2.384 179.982 177.584 0.023 0.000 1.164 392 A CA 1.976 54.029 52.037 0.026 0.000 0.644 392 A CB -0.788 18.241 19.000 0.049 0.000 0.805 392 A HN 0.959 nan 8.150 nan 0.000 0.449 393 A N -0.146 122.682 122.820 0.013 0.000 1.872 393 A HA 0.246 4.592 4.320 0.044 0.000 0.214 393 A C 2.504 180.095 177.584 0.013 0.000 1.187 393 A CA 1.776 53.822 52.037 0.013 0.000 0.614 393 A CB -1.001 17.996 19.000 -0.005 0.000 0.826 393 A HN 0.998 nan 8.150 nan 0.000 0.442 394 A N -0.093 122.733 122.820 0.009 0.000 1.902 394 A HA 0.176 4.522 4.320 0.044 0.000 0.217 394 A C 2.323 179.918 177.584 0.017 0.000 1.181 394 A CA 1.938 53.987 52.037 0.020 0.000 0.623 394 A CB -0.871 18.145 19.000 0.027 0.000 0.818 394 A HN 1.112 nan 8.150 nan 0.000 0.443 395 A N -0.961 121.867 122.820 0.013 0.000 2.235 395 A HA 0.545 4.892 4.320 0.044 0.000 0.208 395 A C 1.587 179.179 177.584 0.013 0.000 1.172 395 A CA 1.085 53.129 52.037 0.011 0.000 0.786 395 A CB -0.753 18.252 19.000 0.008 0.000 0.804 395 A HN 0.816 nan 8.150 nan 0.000 0.479 396 A N -0.289 122.541 122.820 0.017 0.000 3.155 396 A HA 0.329 4.676 4.320 0.044 0.000 0.170 396 A C 1.857 179.451 177.584 0.017 0.000 2.084 396 A CA 0.319 52.368 52.037 0.019 0.000 1.019 396 A CB -0.442 18.573 19.000 0.024 0.000 1.912 396 A HN 0.246 nan 8.150 nan 0.000 0.816 397 R N -0.041 120.470 120.500 0.019 0.000 2.228 397 R HA -0.230 4.136 4.340 0.044 0.000 0.264 397 R C 1.249 177.558 176.300 0.015 0.000 1.179 397 R CA 2.436 58.546 56.100 0.016 0.000 0.998 397 R CB -0.911 29.399 30.300 0.017 0.000 0.885 397 R HN 0.724 nan 8.270 nan 0.000 0.466 398 D N 0.034 120.444 120.400 0.017 0.000 2.178 398 D HA -0.127 4.539 4.640 0.044 0.000 0.202 398 D C 1.473 177.782 176.300 0.015 0.000 0.974 398 D CA 0.818 54.828 54.000 0.018 0.000 0.841 398 D CB -0.014 40.799 40.800 0.022 0.000 0.953 398 D HN 0.364 nan 8.370 nan 0.000 0.478 399 E N 0.891 121.098 120.200 0.013 0.000 2.427 399 E HA -0.078 4.298 4.350 0.044 0.000 0.196 399 E C 1.687 178.292 176.600 0.008 0.000 1.028 399 E CA -0.072 56.334 56.400 0.009 0.000 0.864 399 E CB -0.225 29.480 29.700 0.008 0.000 0.813 399 E HN 0.279 nan 8.360 nan 0.000 0.514 400 N N 2.612 121.317 118.700 0.009 0.000 2.348 400 N HA -0.124 4.642 4.740 0.044 0.000 0.185 400 N C -0.309 175.206 175.510 0.008 0.000 1.019 400 N CA 0.941 53.996 53.050 0.008 0.000 0.880 400 N CB 0.217 38.709 38.487 0.009 0.000 0.965 400 N HN 0.142 nan 8.380 nan 0.000 0.437 401 D N -1.017 119.388 120.400 0.009 0.000 2.363 401 D HA 0.422 5.088 4.640 0.044 0.000 0.258 401 D C -0.234 176.071 176.300 0.009 0.000 1.259 401 D CA -0.526 53.479 54.000 0.008 0.000 0.921 401 D CB 0.582 41.388 40.800 0.009 0.000 1.201 401 D HN 0.206 nan 8.370 nan 0.000 0.524 402 G N 2.567 111.371 108.800 0.007 0.000 2.906 402 G HA2 -0.007 3.979 3.960 0.044 0.000 0.686 402 G HA3 -0.007 3.979 3.960 0.044 0.000 0.686 402 G C -3.362 171.540 174.900 0.004 0.000 1.170 402 G CA -1.056 44.047 45.100 0.006 0.000 0.775 402 G HN 0.420 nan 8.290 nan 0.000 0.630 403 P HA 0.660 nan 4.420 nan 0.000 0.283 403 P C 0.042 177.338 177.300 -0.006 0.000 1.271 403 P CA -0.827 62.271 63.100 -0.003 0.000 0.841 403 P CB 1.397 33.094 31.700 -0.005 0.000 1.122 404 I N 2.061 122.624 120.570 -0.011 0.000 2.371 404 I HA 0.235 4.432 4.170 0.044 0.000 0.290 404 I C 1.697 177.798 176.117 -0.028 0.000 1.028 404 I CA -0.246 61.042 61.300 -0.021 0.000 1.345 404 I CB 0.952 38.938 38.000 -0.024 0.000 1.407 404 I HN 0.301 nan 8.210 nan 0.000 0.501 405 R N 2.696 123.174 120.500 -0.036 0.000 2.369 405 R HA 0.235 4.602 4.340 0.044 0.000 0.210 405 R C -0.261 176.007 176.300 -0.054 0.000 0.881 405 R CA 0.257 56.334 56.100 -0.038 0.000 1.031 405 R CB 0.868 31.151 30.300 -0.028 0.000 1.184 405 R HN 0.544 nan 8.270 nan 0.000 0.581 406 T N 0.816 115.324 114.554 -0.078 0.000 2.912 406 T HA 0.456 4.832 4.350 0.044 0.000 0.299 406 T C -1.117 173.489 174.700 -0.156 0.000 1.052 406 T CA -0.461 61.574 62.100 -0.108 0.000 0.996 406 T CB 3.064 71.862 68.868 -0.116 0.000 1.070 406 T HN -0.255 nan 8.240 nan 0.000 0.465 407 V N 2.720 122.539 119.914 -0.158 0.000 2.577 407 V HA 0.498 4.644 4.120 0.044 0.000 0.303 407 V C -0.501 175.472 176.094 -0.202 0.000 1.042 407 V CA -0.788 61.402 62.300 -0.183 0.000 0.872 407 V CB 1.983 33.735 31.823 -0.119 0.000 0.998 407 V HN 0.746 nan 8.190 nan 0.000 0.423 408 V N 6.285 126.030 119.914 -0.281 0.000 2.370 408 V HA 0.446 4.592 4.120 0.044 0.000 0.279 408 V C -0.114 175.878 176.094 -0.171 0.000 1.029 408 V CA -0.446 61.719 62.300 -0.225 0.000 0.870 408 V CB 1.594 33.251 31.823 -0.277 0.000 0.984 408 V HN 0.627 nan 8.190 nan 0.000 0.451 409 L N 5.286 126.417 121.223 -0.152 0.000 2.264 409 L HA 0.463 4.829 4.340 0.044 0.000 0.287 409 L C 0.174 176.919 176.870 -0.208 0.000 1.039 409 L CA -0.135 54.605 54.840 -0.167 0.000 0.829 409 L CB 0.940 42.926 42.059 -0.121 0.000 1.211 409 L HN 0.617 nan 8.230 nan 0.000 0.427 410 N N 4.500 122.982 118.700 -0.362 0.000 2.422 410 N HA 0.305 5.071 4.740 0.044 0.000 0.266 410 N C 0.027 175.391 175.510 -0.244 0.000 1.007 410 N CA -0.348 52.470 53.050 -0.387 0.000 0.941 410 N CB 1.674 39.660 38.487 -0.834 0.000 1.115 410 N HN 0.586 nan 8.380 nan 0.000 0.492 411 L N 2.777 123.922 121.223 -0.131 0.000 2.857 411 L HA 0.295 4.661 4.340 0.044 0.000 0.249 411 L C 2.010 178.859 176.870 -0.035 0.000 1.172 411 L CA -0.187 54.609 54.840 -0.075 0.000 0.980 411 L CB 0.109 42.132 42.059 -0.059 0.000 1.299 411 L HN 0.499 nan 8.230 nan 0.000 0.535 412 A N 0.775 123.581 122.820 -0.023 0.000 1.917 412 A HA -0.173 4.173 4.320 0.044 0.000 0.219 412 A C 2.241 179.841 177.584 0.028 0.000 1.182 412 A CA 1.439 53.484 52.037 0.013 0.000 0.633 412 A CB -0.259 18.765 19.000 0.040 0.000 0.819 412 A HN 0.289 nan 8.150 nan 0.000 0.448 413 R N -0.478 120.047 120.500 0.041 0.000 2.323 413 R HA 0.119 4.485 4.340 0.044 0.000 0.198 413 R C -0.099 176.216 176.300 0.025 0.000 0.988 413 R CA 0.073 56.202 56.100 0.047 0.000 1.041 413 R CB -0.658 29.688 30.300 0.076 0.000 0.926 413 R HN 0.363 nan 8.270 nan 0.000 0.476 414 V N 2.071 121.991 119.914 0.009 0.000 2.498 414 V HA 0.006 4.152 4.120 0.044 0.000 0.279 414 V C 1.092 177.190 176.094 0.006 0.000 1.048 414 V CA -0.051 62.250 62.300 0.002 0.000 0.967 414 V CB 1.600 33.415 31.823 -0.012 0.000 0.988 414 V HN 0.089 nan 8.190 nan 0.000 0.473 415 D N 3.655 124.060 120.400 0.009 0.000 2.120 415 D HA 0.044 4.711 4.640 0.044 0.000 0.202 415 D C 0.937 177.241 176.300 0.008 0.000 0.972 415 D CA 1.004 55.010 54.000 0.011 0.000 0.837 415 D CB 0.416 41.224 40.800 0.013 0.000 0.989 415 D HN 0.720 nan 8.370 nan 0.000 0.469 416 R N -0.761 119.743 120.500 0.006 0.000 2.752 416 R HA 0.617 4.984 4.340 0.044 0.000 0.277 416 R C -1.791 174.512 176.300 0.004 0.000 1.024 416 R CA -0.755 55.349 56.100 0.006 0.000 0.866 416 R CB 1.243 31.549 30.300 0.010 0.000 1.278 416 R HN 0.026 nan 8.270 nan 0.000 0.473 417 I N 1.769 122.342 120.570 0.004 0.000 2.722 417 I HA 0.246 4.442 4.170 0.044 0.000 0.292 417 I C -1.317 174.805 176.117 0.008 0.000 1.267 417 I CA -0.689 60.613 61.300 0.004 0.000 1.036 417 I CB 2.218 40.215 38.000 -0.005 0.000 1.281 417 I HN 0.917 nan 8.210 nan 0.000 0.423 418 D N 5.203 125.612 120.400 0.015 0.000 2.414 418 D HA 0.086 4.752 4.640 0.044 0.000 0.259 418 D C 0.463 176.773 176.300 0.016 0.000 1.269 418 D CA -0.023 53.988 54.000 0.018 0.000 1.028 418 D CB 0.610 41.426 40.800 0.027 0.000 1.093 418 D HN 0.458 nan 8.370 nan 0.000 0.545 419 D N -0.715 119.695 120.400 0.016 0.000 2.117 419 D HA -0.109 4.558 4.640 0.044 0.000 0.197 419 D C 2.155 178.468 176.300 0.021 0.000 0.987 419 D CA 0.908 54.916 54.000 0.013 0.000 0.829 419 D CB -0.091 40.714 40.800 0.010 0.000 0.961 419 D HN 0.189 nan 8.370 nan 0.000 0.460 420 V N 1.413 121.349 119.914 0.036 0.000 2.332 420 V HA -0.215 3.931 4.120 0.044 0.000 0.248 420 V C 2.620 178.743 176.094 0.048 0.000 1.055 420 V CA 2.131 64.469 62.300 0.062 0.000 1.038 420 V CB -1.057 30.829 31.823 0.107 0.000 0.651 420 V HN 0.232 nan 8.190 nan 0.000 0.450 421 G N -0.386 108.432 108.800 0.031 0.000 2.421 421 G HA2 -0.221 3.765 3.960 0.044 0.000 0.216 421 G HA3 -0.221 3.765 3.960 0.044 0.000 0.216 421 G C 1.723 176.616 174.900 -0.011 0.000 1.171 421 G CA 0.746 45.846 45.100 0.000 0.000 0.775 421 G HN 0.434 nan 8.290 nan 0.000 0.543 422 R N 0.140 120.638 120.500 -0.004 0.000 2.080 422 R HA -0.046 4.320 4.340 0.044 0.000 0.236 422 R C 2.836 179.130 176.300 -0.009 0.000 1.137 422 R CA 1.508 57.602 56.100 -0.009 0.000 0.943 422 R CB -0.352 29.945 30.300 -0.005 0.000 0.846 422 R HN 0.276 nan 8.270 nan 0.000 0.431 423 R N 0.562 121.062 120.500 -0.000 0.000 2.096 423 R HA -0.099 4.267 4.340 0.044 0.000 0.235 423 R C 2.408 178.706 176.300 -0.003 0.000 1.127 423 R CA 1.200 57.301 56.100 0.001 0.000 0.968 423 R CB -0.425 29.881 30.300 0.011 0.000 0.861 423 R HN 0.253 nan 8.270 nan 0.000 0.440 424 L N 0.353 121.573 121.223 -0.005 0.000 2.044 424 L HA -0.124 4.242 4.340 0.044 0.000 0.205 424 L C 2.452 179.300 176.870 -0.037 0.000 1.075 424 L CA 1.183 56.011 54.840 -0.020 0.000 0.747 424 L CB -0.352 41.682 42.059 -0.041 0.000 0.903 424 L HN 0.138 nan 8.230 nan 0.000 0.435 425 I N -0.091 120.454 120.570 -0.042 0.000 2.361 425 I HA -0.266 3.931 4.170 0.044 0.000 0.251 425 I C 2.783 178.877 176.117 -0.039 0.000 1.133 425 I CA 0.974 62.245 61.300 -0.048 0.000 1.413 425 I CB -0.392 37.579 38.000 -0.050 0.000 1.073 425 I HN 0.207 nan 8.210 nan 0.000 0.424 426 A N 0.708 123.511 122.820 -0.029 0.000 1.858 426 A HA -0.284 4.062 4.320 0.044 0.000 0.216 426 A C 2.225 179.795 177.584 -0.024 0.000 1.190 426 A CA 2.143 54.164 52.037 -0.025 0.000 0.617 426 A CB -0.642 18.347 19.000 -0.018 0.000 0.827 426 A HN 0.400 nan 8.150 nan 0.000 0.443 427 E N 0.109 120.297 120.200 -0.020 0.000 2.118 427 E HA -0.090 4.286 4.350 0.044 0.000 0.195 427 E C 1.915 178.501 176.600 -0.023 0.000 0.992 427 E CA 1.692 58.081 56.400 -0.017 0.000 0.804 427 E CB -0.842 28.851 29.700 -0.011 0.000 0.741 427 E HN 0.424 nan 8.360 nan 0.000 0.458 428 G N -0.325 108.457 108.800 -0.030 0.000 2.432 428 G HA2 -0.193 3.793 3.960 0.044 0.000 0.219 428 G HA3 -0.193 3.793 3.960 0.044 0.000 0.219 428 G C 1.656 176.535 174.900 -0.035 0.000 1.135 428 G CA 0.957 46.037 45.100 -0.034 0.000 0.767 428 G HN 0.269 nan 8.290 nan 0.000 0.550 429 V N 0.485 120.377 119.914 -0.036 0.000 2.488 429 V HA -0.036 4.110 4.120 0.044 0.000 0.246 429 V C 2.715 178.790 176.094 -0.032 0.000 1.046 429 V CA 1.604 63.881 62.300 -0.038 0.000 1.053 429 V CB -0.319 31.480 31.823 -0.041 0.000 0.679 429 V HN 0.389 nan 8.190 nan 0.000 0.458 430 R N 0.675 121.159 120.500 -0.026 0.000 2.081 430 R HA -0.153 4.213 4.340 0.044 0.000 0.235 430 R C 2.395 178.682 176.300 -0.021 0.000 1.131 430 R CA 1.623 57.710 56.100 -0.022 0.000 0.960 430 R CB -0.145 30.145 30.300 -0.017 0.000 0.856 430 R HN 0.430 nan 8.270 nan 0.000 0.436 431 R N 0.094 120.582 120.500 -0.021 0.000 2.189 431 R HA 0.000 4.366 4.340 0.044 0.000 0.218 431 R C 2.313 178.600 176.300 -0.022 0.000 1.074 431 R CA 0.647 56.736 56.100 -0.019 0.000 0.991 431 R CB -0.090 30.199 30.300 -0.018 0.000 0.883 431 R HN 0.266 nan 8.270 nan 0.000 0.457 432 L N 0.672 121.878 121.223 -0.027 0.000 2.023 432 L HA -0.173 4.193 4.340 0.044 0.000 0.205 432 L C 2.410 179.262 176.870 -0.029 0.000 1.073 432 L CA 1.423 56.245 54.840 -0.031 0.000 0.745 432 L CB -0.382 41.654 42.059 -0.039 0.000 0.900 432 L HN 0.164 nan 8.230 nan 0.000 0.435 433 Q N -0.174 119.609 119.800 -0.029 0.000 2.181 433 Q HA -0.220 4.147 4.340 0.044 0.000 0.205 433 Q C 2.280 178.267 176.000 -0.022 0.000 0.980 433 Q CA 1.517 57.304 55.803 -0.027 0.000 0.862 433 Q CB -0.342 28.380 28.738 -0.026 0.000 0.905 433 Q HN 0.563 nan 8.270 nan 0.000 0.429 434 A N 1.270 124.079 122.820 -0.020 0.000 2.067 434 A HA -0.163 4.183 4.320 0.044 0.000 0.219 434 A C 1.357 178.932 177.584 -0.016 0.000 1.158 434 A CA 1.262 53.290 52.037 -0.016 0.000 0.661 434 A CB -0.066 18.925 19.000 -0.014 0.000 0.801 434 A HN 0.206 nan 8.150 nan 0.000 0.452 435 D N -0.844 119.545 120.400 -0.018 0.000 2.340 435 D HA 0.212 4.878 4.640 0.044 0.000 0.220 435 D C 1.239 177.529 176.300 -0.018 0.000 1.039 435 D CA 0.987 54.977 54.000 -0.017 0.000 0.866 435 D CB -0.000 40.788 40.800 -0.019 0.000 0.913 435 D HN 0.568 nan 8.370 nan 0.000 0.523 436 G N 0.755 109.544 108.800 -0.019 0.000 2.160 436 G HA2 -0.265 3.721 3.960 0.044 0.000 0.244 436 G HA3 -0.265 3.721 3.960 0.044 0.000 0.244 436 G C 0.274 175.161 174.900 -0.023 0.000 1.022 436 G CA 0.131 45.219 45.100 -0.019 0.000 0.741 436 G HN 0.263 nan 8.290 nan 0.000 0.508 437 V N 0.498 120.395 119.914 -0.028 0.000 2.472 437 V HA 0.541 4.687 4.120 0.044 0.000 0.290 437 V C 1.019 177.088 176.094 -0.041 0.000 1.037 437 V CA -0.899 61.380 62.300 -0.035 0.000 0.908 437 V CB 1.700 33.499 31.823 -0.039 0.000 0.985 437 V HN 0.487 nan 8.190 nan 0.000 0.454 438 R N 2.944 123.416 120.500 -0.047 0.000 2.390 438 R HA 0.582 4.948 4.340 0.044 0.000 0.291 438 R C -1.436 174.825 176.300 -0.065 0.000 1.070 438 R CA -0.220 55.850 56.100 -0.050 0.000 1.014 438 R CB 1.147 31.417 30.300 -0.050 0.000 1.007 438 R HN 0.549 nan 8.270 nan 0.000 0.466 439 V N 5.148 125.025 119.914 -0.060 0.000 2.482 439 V HA 0.216 4.362 4.120 0.044 0.000 0.295 439 V C -0.829 175.225 176.094 -0.066 0.000 1.026 439 V CA -0.753 61.505 62.300 -0.070 0.000 0.856 439 V CB 1.546 33.333 31.823 -0.060 0.000 1.001 439 V HN 0.887 nan 8.190 nan 0.000 0.424 440 E N 4.339 124.491 120.200 -0.080 0.000 2.165 440 E HA 0.667 5.043 4.350 0.044 0.000 0.266 440 E C -1.324 175.233 176.600 -0.073 0.000 0.889 440 E CA -0.861 55.499 56.400 -0.066 0.000 0.756 440 E CB 2.380 32.043 29.700 -0.061 0.000 1.131 440 E HN 0.313 nan 8.360 nan 0.000 0.411 441 V N 3.490 123.368 119.914 -0.059 0.000 2.334 441 V HA 0.099 4.245 4.120 0.044 0.000 0.267 441 V C -0.050 176.012 176.094 -0.054 0.000 1.040 441 V CA -0.574 61.688 62.300 -0.064 0.000 0.866 441 V CB 0.437 32.228 31.823 -0.054 0.000 1.019 441 V HN 0.700 nan 8.190 nan 0.000 0.468 442 E N 4.000 124.160 120.200 -0.065 0.000 1.963 442 E HA 0.202 4.578 4.350 0.044 0.000 0.274 442 E C -0.567 176.002 176.600 -0.052 0.000 1.061 442 E CA -0.175 56.196 56.400 -0.047 0.000 0.847 442 E CB 0.778 30.453 29.700 -0.041 0.000 1.083 442 E HN 0.568 nan 8.360 nan 0.000 0.402 443 D N 5.194 125.574 120.400 -0.034 0.000 2.412 443 D HA 0.106 4.773 4.640 0.044 0.000 0.276 443 D C -1.411 174.880 176.300 -0.015 0.000 1.196 443 D CA -2.165 51.818 54.000 -0.029 0.000 0.905 443 D CB 1.107 41.889 40.800 -0.030 0.000 1.081 443 D HN 0.182 nan 8.370 nan 0.000 0.502 444 P HA -0.163 nan 4.420 nan 0.000 0.211 444 P C -0.203 177.096 177.300 -0.001 0.000 1.181 444 P CA 1.094 64.193 63.100 -0.001 0.000 0.929 444 P CB 0.257 31.961 31.700 0.006 0.000 0.789 445 E N 1.116 121.315 120.200 -0.001 0.000 1.861 445 E HA 0.157 4.533 4.350 0.044 0.000 0.263 445 E C -0.213 176.385 176.600 -0.004 0.000 1.137 445 E CA -0.385 56.014 56.400 -0.001 0.000 0.944 445 E CB -0.175 29.526 29.700 0.002 0.000 1.092 445 E HN 0.214 nan 8.360 nan 0.000 0.420 446 R N 2.773 123.270 120.500 -0.005 0.000 4.465 446 R HA -0.161 4.205 4.340 0.044 0.000 0.211 446 R C 0.621 176.916 176.300 -0.007 0.000 0.394 446 R CA 0.362 56.458 56.100 -0.008 0.000 0.944 446 R CB -0.547 29.750 30.300 -0.006 0.000 0.933 446 R HN 0.615 nan 8.270 nan 0.000 0.283 447 I N 1.495 122.059 120.570 -0.010 0.000 3.445 447 I HA -0.149 4.047 4.170 0.044 0.000 0.288 447 I C 2.085 178.195 176.117 -0.011 0.000 1.198 447 I CA 0.061 61.356 61.300 -0.009 0.000 1.417 447 I CB -0.007 37.988 38.000 -0.009 0.000 1.205 447 I HN 0.432 nan 8.210 nan 0.000 0.448 448 L N 2.123 123.337 121.223 -0.016 0.000 1.963 448 L HA -0.087 4.279 4.340 0.044 0.000 0.220 448 L C -1.181 175.681 176.870 -0.014 0.000 1.076 448 L CA 1.947 56.776 54.840 -0.018 0.000 0.772 448 L CB -1.368 40.676 42.059 -0.024 0.000 0.892 448 L HN 0.072 nan 8.230 nan 0.000 0.435 449 P HA -0.051 nan 4.420 nan 0.000 0.272 449 P C -0.821 176.476 177.300 -0.006 0.000 1.225 449 P CA 0.451 63.545 63.100 -0.009 0.000 0.800 449 P CB 0.108 31.803 31.700 -0.008 0.000 0.894 450 L N 0.000 121.220 121.223 -0.005 0.000 2.949 450 L HA 0.000 4.366 4.340 0.044 0.000 0.249 450 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 450 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502