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 1l6g_1_A DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLXMD TGMGRLGVKD EEETKRIVAL DATA SEQUENCE IERHPHFVLE GLYTHFATAD EVNTDYFSYQ YTRFLHMLEW LPSRPPLVHC DATA SEQUENCE ANSAASLRFP DRTFNMVRFG IAMYGLAPSP GIKPLLPYPL KEAFSLHSRL DATA SEQUENCE VHVKKLQPGE KVSYGATYTA QTEEWIGTIP IGYADGWLRR LQHFHVLVDG DATA SEQUENCE QKAPIVGRIC MDQCMIRLPG PLPVGTKVTL IGRQGDEVIS IDDVARHLET DATA SEQUENCE INYEVPCTIS YRVPRIFFRH KRIMEVRNAI GR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.541 175.510 0.052 0.000 1.280 2 N CA 0.000 53.088 53.050 0.064 0.000 0.885 2 N CB 0.000 38.547 38.487 0.100 0.000 1.341 3 D N 0.453 120.878 120.400 0.043 0.000 2.581 3 D HA 0.669 5.310 4.640 0.001 0.000 0.232 3 D C -1.556 174.726 176.300 -0.029 0.000 1.143 3 D CA -0.202 53.753 54.000 -0.076 0.000 0.881 3 D CB 1.436 42.141 40.800 -0.160 0.000 1.500 3 D HN 0.284 nan 8.370 nan 0.000 0.458 4 F N -0.805 118.939 119.950 -0.343 0.000 2.613 4 F HA 0.527 5.054 4.527 0.001 0.000 0.310 4 F C -0.232 175.229 175.800 -0.566 0.000 1.085 4 F CA -0.714 57.093 58.000 -0.322 0.000 0.945 4 F CB 1.545 40.470 39.000 -0.125 0.000 1.298 4 F HN 0.256 nan 8.300 nan 0.000 0.455 5 H N 1.065 120.231 119.070 0.161 0.000 2.475 5 H HA 0.350 4.907 4.556 0.001 0.000 0.276 5 H C -0.566 174.833 175.328 0.117 0.000 1.126 5 H CA -0.172 55.911 56.048 0.058 0.000 1.023 5 H CB 0.547 30.325 29.762 0.026 0.000 1.669 5 H HN 0.623 nan 8.280 nan 0.000 0.573 6 R N 0.901 121.578 120.500 0.296 0.000 2.673 6 R HA 0.150 4.490 4.340 0.001 0.000 0.281 6 R C -1.186 175.320 176.300 0.343 0.000 0.991 6 R CA -0.612 55.633 56.100 0.242 0.000 0.896 6 R CB 1.393 31.798 30.300 0.176 0.000 1.201 6 R HN -0.079 nan 8.270 nan 0.000 0.457 7 D N 2.785 123.349 120.400 0.274 0.000 2.934 7 D HA 0.141 4.781 4.640 0.001 0.000 0.237 7 D C -0.916 175.669 176.300 0.475 0.000 1.158 7 D CA 0.589 54.828 54.000 0.399 0.000 0.971 7 D CB 0.685 41.652 40.800 0.278 0.000 1.123 7 D HN 0.351 nan 8.370 nan 0.000 0.467 8 T N 0.880 115.710 114.554 0.460 0.000 3.109 8 T HA 0.486 4.836 4.350 0.001 0.000 0.311 8 T C -0.980 173.816 174.700 0.161 0.000 1.011 8 T CA -0.904 61.300 62.100 0.173 0.000 1.026 8 T CB 1.082 69.938 68.868 -0.019 0.000 1.047 8 T HN 0.328 nan 8.240 nan 0.000 0.448 9 W N 1.976 123.146 121.300 -0.217 0.000 3.146 9 W HA 0.844 5.504 4.660 0.001 0.000 0.319 9 W C -1.548 174.828 176.519 -0.238 0.000 1.258 9 W CA -1.396 55.744 57.345 -0.342 0.000 1.189 9 W CB 0.631 29.811 29.460 -0.466 0.000 1.412 9 W HN 0.757 nan 8.180 nan 0.000 0.567 10 A N 1.397 124.076 122.820 -0.235 0.000 2.320 10 A HA 0.799 5.119 4.320 0.001 0.000 0.334 10 A C -0.987 176.435 177.584 -0.269 0.000 1.147 10 A CA -0.801 50.958 52.037 -0.463 0.000 0.820 10 A CB 1.355 20.009 19.000 -0.577 0.000 1.218 10 A HN 0.690 nan 8.150 nan 0.000 0.482 11 E N 0.386 120.384 120.200 -0.337 0.000 2.210 11 E HA 0.507 4.857 4.350 0.001 0.000 0.266 11 E C -1.551 174.922 176.600 -0.211 0.000 0.883 11 E CA -0.627 55.738 56.400 -0.058 0.000 0.761 11 E CB 2.322 32.154 29.700 0.220 0.000 1.156 11 E HN 0.349 nan 8.360 nan 0.000 0.412 12 V N 2.762 122.591 119.914 -0.141 0.000 2.384 12 V HA 0.133 4.253 4.120 0.001 0.000 0.287 12 V C -0.490 175.736 176.094 0.219 0.000 1.020 12 V CA -0.749 61.561 62.300 0.017 0.000 0.850 12 V CB 1.588 33.411 31.823 0.001 0.000 0.987 12 V HN 0.627 nan 8.190 nan 0.000 0.436 13 D N 4.398 124.930 120.400 0.220 0.000 2.441 13 D HA 0.262 4.902 4.640 0.001 0.000 0.221 13 D C 0.955 177.389 176.300 0.223 0.000 1.156 13 D CA -0.123 54.008 54.000 0.218 0.000 0.896 13 D CB 1.059 41.928 40.800 0.115 0.000 1.028 13 D HN 0.453 nan 8.370 nan 0.000 0.509 14 L N 2.388 123.758 121.223 0.244 0.000 2.362 14 L HA -0.082 4.258 4.340 0.001 0.000 0.219 14 L C 1.351 178.304 176.870 0.139 0.000 1.134 14 L CA 0.519 55.478 54.840 0.198 0.000 0.807 14 L CB -0.020 42.145 42.059 0.176 0.000 0.927 14 L HN 0.313 nan 8.230 nan 0.000 0.447 15 D N 0.371 120.835 120.400 0.107 0.000 2.149 15 D HA -0.107 4.533 4.640 0.001 0.000 0.201 15 D C 2.262 178.650 176.300 0.147 0.000 0.972 15 D CA 1.354 55.405 54.000 0.084 0.000 0.835 15 D CB 0.101 40.932 40.800 0.052 0.000 0.966 15 D HN 0.285 nan 8.370 nan 0.000 0.476 16 A N 0.755 123.654 122.820 0.131 0.000 1.877 16 A HA -0.135 4.185 4.320 0.001 0.000 0.216 16 A C 2.362 180.015 177.584 0.115 0.000 1.186 16 A CA 0.913 53.023 52.037 0.122 0.000 0.620 16 A CB -0.801 18.271 19.000 0.119 0.000 0.822 16 A HN 0.169 nan 8.150 nan 0.000 0.443 17 I N -1.946 118.691 120.570 0.111 0.000 2.208 17 I HA -0.305 3.866 4.170 0.001 0.000 0.245 17 I C 2.454 178.609 176.117 0.064 0.000 1.097 17 I CA 1.948 63.274 61.300 0.044 0.000 1.363 17 I CB -0.359 37.667 38.000 0.043 0.000 1.051 17 I HN 0.568 nan 8.210 nan 0.000 0.413 18 Y N 1.660 121.963 120.300 0.004 0.000 2.181 18 Y HA -0.319 4.231 4.550 0.001 0.000 0.288 18 Y C 2.197 178.093 175.900 -0.006 0.000 1.146 18 Y CA 1.889 59.986 58.100 -0.004 0.000 1.164 18 Y CB -0.186 38.270 38.460 -0.007 0.000 0.982 18 Y HN 0.189 nan 8.280 nan 0.000 0.515 19 D N -0.148 120.348 120.400 0.159 0.000 2.117 19 D HA -0.180 4.460 4.640 0.001 0.000 0.198 19 D C 1.735 178.008 176.300 -0.045 0.000 0.982 19 D CA 1.298 55.332 54.000 0.056 0.000 0.828 19 D CB -0.425 40.438 40.800 0.106 0.000 0.967 19 D HN 0.414 nan 8.370 nan 0.000 0.464 20 N N 0.270 118.996 118.700 0.044 0.000 2.166 20 N HA -0.105 4.635 4.740 0.001 0.000 0.186 20 N C 1.966 177.548 175.510 0.121 0.000 1.019 20 N CA 0.511 53.656 53.050 0.158 0.000 0.856 20 N CB -0.307 38.289 38.487 0.183 0.000 0.993 20 N HN 0.122 nan 8.380 nan 0.000 0.426 21 V N 1.226 121.135 119.914 -0.009 0.000 2.407 21 V HA -0.135 3.985 4.120 0.001 0.000 0.245 21 V C 2.379 178.303 176.094 -0.284 0.000 1.041 21 V CA 1.397 63.634 62.300 -0.105 0.000 1.040 21 V CB -0.477 31.271 31.823 -0.125 0.000 0.671 21 V HN 0.330 nan 8.190 nan 0.000 0.455 22 E N 0.657 120.623 120.200 -0.390 0.000 2.110 22 E HA -0.258 4.092 4.350 0.001 0.000 0.193 22 E C 2.027 178.423 176.600 -0.341 0.000 0.988 22 E CA 1.586 57.747 56.400 -0.398 0.000 0.804 22 E CB -0.155 29.270 29.700 -0.459 0.000 0.745 22 E HN 0.533 nan 8.360 nan 0.000 0.458 23 N N 0.419 118.862 118.700 -0.428 0.000 2.223 23 N HA -0.156 4.584 4.740 0.001 0.000 0.185 23 N C 1.781 176.945 175.510 -0.576 0.000 1.016 23 N CA 0.863 53.507 53.050 -0.677 0.000 0.863 23 N CB -0.198 37.473 38.487 -1.360 0.000 0.983 23 N HN 0.253 nan 8.380 nan 0.000 0.429 24 L N 1.103 122.092 121.223 -0.389 0.000 2.095 24 L HA 0.022 4.363 4.340 0.001 0.000 0.204 24 L C 2.276 179.002 176.870 -0.239 0.000 1.080 24 L CA 1.296 55.982 54.840 -0.257 0.000 0.759 24 L CB -0.380 41.357 42.059 -0.538 0.000 0.914 24 L HN -0.106 nan 8.230 nan 0.000 0.439 25 R N -0.135 120.213 120.500 -0.254 0.000 2.127 25 R HA -0.136 4.205 4.340 0.001 0.000 0.238 25 R C 2.328 178.536 176.300 -0.152 0.000 1.134 25 R CA 1.622 57.606 56.100 -0.193 0.000 0.975 25 R CB -0.336 29.848 30.300 -0.193 0.000 0.865 25 R HN 0.343 nan 8.270 nan 0.000 0.447 26 R N -0.725 119.675 120.500 -0.167 0.000 2.093 26 R HA -0.015 4.325 4.340 0.001 0.000 0.224 26 R C 2.120 178.364 176.300 -0.094 0.000 1.101 26 R CA 1.206 57.230 56.100 -0.127 0.000 0.979 26 R CB -0.360 29.853 30.300 -0.145 0.000 0.877 26 R HN 0.224 nan 8.270 nan 0.000 0.441 27 L N 1.083 122.250 121.223 -0.093 0.000 2.141 27 L HA 0.016 4.356 4.340 0.001 0.000 0.209 27 L C 0.457 177.305 176.870 -0.037 0.000 1.094 27 L CA 1.353 56.169 54.840 -0.040 0.000 0.763 27 L CB 0.002 42.072 42.059 0.018 0.000 0.908 27 L HN -0.035 nan 8.230 nan 0.000 0.437 28 L N 0.419 121.607 121.223 -0.059 0.000 2.421 28 L HA 0.346 4.686 4.340 0.001 0.000 0.263 28 L C -1.917 174.928 176.870 -0.042 0.000 1.122 28 L CA -2.186 52.628 54.840 -0.043 0.000 0.804 28 L CB -0.114 41.910 42.059 -0.058 0.000 1.150 28 L HN -0.074 nan 8.230 nan 0.000 0.457 29 P HA 0.033 nan 4.420 nan 0.000 0.268 29 P C -0.464 176.808 177.300 -0.046 0.000 1.205 29 P CA -0.263 62.821 63.100 -0.026 0.000 0.771 29 P CB 0.399 32.094 31.700 -0.008 0.000 0.858 30 D N 0.991 121.361 120.400 -0.051 0.000 2.228 30 D HA -0.238 4.403 4.640 0.001 0.000 0.203 30 D C 0.720 176.962 176.300 -0.097 0.000 0.988 30 D CA 1.542 55.499 54.000 -0.071 0.000 0.864 30 D CB -0.860 39.907 40.800 -0.055 0.000 0.928 30 D HN 0.521 nan 8.370 nan 0.000 0.469 31 D N -0.771 119.587 120.400 -0.069 0.000 2.349 31 D HA -0.031 4.609 4.640 0.001 0.000 0.224 31 D C -0.079 176.166 176.300 -0.091 0.000 1.029 31 D CA 0.167 54.123 54.000 -0.074 0.000 0.879 31 D CB -0.105 40.689 40.800 -0.011 0.000 0.906 31 D HN -0.070 nan 8.370 nan 0.000 0.528 32 T N 0.759 115.265 114.554 -0.080 0.000 2.767 32 T HA 0.131 4.481 4.350 0.001 0.000 0.288 32 T C -0.313 174.333 174.700 -0.090 0.000 0.963 32 T CA -0.572 61.515 62.100 -0.021 0.000 1.019 32 T CB 0.832 69.717 68.868 0.028 0.000 0.923 32 T HN 0.179 nan 8.240 nan 0.000 0.468 33 H N 2.268 121.349 119.070 0.019 0.000 2.551 33 H HA 0.391 4.947 4.556 0.001 0.000 0.358 33 H C -0.050 175.266 175.328 -0.021 0.000 1.151 33 H CA -0.183 55.859 56.048 -0.009 0.000 1.374 33 H CB 1.152 30.906 29.762 -0.013 0.000 1.473 33 H HN 0.436 nan 8.280 nan 0.000 0.574 34 I N 3.164 123.784 120.570 0.084 0.000 2.389 34 I HA 0.166 4.337 4.170 0.001 0.000 0.288 34 I C 0.066 176.202 176.117 0.031 0.000 0.999 34 I CA -0.327 60.986 61.300 0.023 0.000 1.129 34 I CB 1.525 39.491 38.000 -0.057 0.000 1.288 34 I HN 0.307 nan 8.210 nan 0.000 0.444 35 M N 6.893 126.508 119.600 0.026 0.000 2.066 35 M HA 0.637 5.117 4.480 0.001 0.000 0.340 35 M C -0.581 175.740 176.300 0.035 0.000 1.053 35 M CA -0.414 54.880 55.300 -0.010 0.000 0.983 35 M CB 1.209 33.755 32.600 -0.090 0.000 1.520 35 M HN 0.662 nan 8.290 nan 0.000 0.428 36 A N 4.953 127.788 122.820 0.024 0.000 2.409 36 A HA 0.505 4.825 4.320 0.001 0.000 0.267 36 A C -0.454 177.141 177.584 0.017 0.000 1.127 36 A CA -0.536 51.518 52.037 0.028 0.000 0.795 36 A CB 0.215 19.213 19.000 -0.005 0.000 1.061 36 A HN 0.716 nan 8.150 nan 0.000 0.502 37 V N 4.433 124.363 119.914 0.025 0.000 2.368 37 V HA 0.244 4.364 4.120 0.001 0.000 0.266 37 V C 0.779 176.953 176.094 0.133 0.000 1.045 37 V CA 0.243 62.593 62.300 0.084 0.000 0.899 37 V CB 0.887 32.799 31.823 0.148 0.000 1.006 37 V HN 0.966 nan 8.190 nan 0.000 0.470 38 V N 2.622 122.622 119.914 0.142 0.000 2.940 38 V HA 0.324 4.445 4.120 0.001 0.000 0.366 38 V C 0.714 176.916 176.094 0.180 0.000 1.353 38 V CA -0.659 61.756 62.300 0.193 0.000 1.232 38 V CB -0.506 31.388 31.823 0.118 0.000 1.278 38 V HN 0.813 nan 8.190 nan 0.000 0.546 39 K N 0.836 121.355 120.400 0.198 0.000 2.156 39 K HA 0.618 4.939 4.320 0.001 0.000 0.242 39 K C 0.768 177.433 176.600 0.108 0.000 1.033 39 K CA 0.229 56.569 56.287 0.087 0.000 0.878 39 K CB 0.437 32.975 32.500 0.062 0.000 1.057 39 K HN 1.215 nan 8.250 nan 0.000 0.505 40 A N 1.209 124.043 122.820 0.023 0.000 2.687 40 A HA -0.249 4.072 4.320 0.001 0.000 0.299 40 A C 0.353 177.982 177.584 0.075 0.000 1.497 40 A CA 1.181 53.236 52.037 0.030 0.000 0.751 40 A CB -2.446 16.523 19.000 -0.051 0.000 1.048 40 A HN 1.052 nan 8.150 nan 0.000 0.464 41 N N -2.386 116.362 118.700 0.080 0.000 2.714 41 N HA 0.061 4.802 4.740 0.001 0.000 0.253 41 N C 0.389 176.012 175.510 0.189 0.000 1.024 41 N CA 2.323 55.446 53.050 0.120 0.000 0.726 41 N CB -1.655 36.907 38.487 0.125 0.000 0.908 41 N HN 2.381 nan 8.380 nan 0.000 0.542 42 A N 0.596 123.548 122.820 0.220 0.000 2.519 42 A HA -0.205 4.115 4.320 0.001 0.000 0.297 42 A C 0.632 178.335 177.584 0.198 0.000 1.472 42 A CA 1.179 53.399 52.037 0.305 0.000 0.739 42 A CB -2.364 16.851 19.000 0.358 0.000 1.096 42 A HN 1.316 nan 8.150 nan 0.000 0.414 43 Y N -2.657 117.550 120.300 -0.156 0.000 3.225 43 Y HA -0.142 4.408 4.550 0.000 0.000 0.211 43 Y C 1.932 177.780 175.900 -0.088 0.000 1.223 43 Y CA 1.924 59.861 58.100 -0.271 0.000 1.284 43 Y CB -1.813 36.166 38.460 -0.801 0.000 1.367 43 Y HN 2.412 nan 8.280 nan 0.000 0.566 44 G N -1.563 107.306 108.800 0.114 0.000 2.148 44 G HA2 -0.401 3.559 3.960 0.001 0.000 0.254 44 G HA3 -0.401 3.559 3.960 0.001 0.000 0.254 44 G C 0.519 175.470 174.900 0.085 0.000 0.981 44 G CA 0.658 45.778 45.100 0.034 0.000 0.670 44 G HN 0.656 nan 8.290 nan 0.000 0.528 45 H N -0.139 119.029 119.070 0.162 0.000 2.575 45 H HA 0.468 5.024 4.556 0.001 0.000 0.267 45 H C 1.520 177.123 175.328 0.457 0.000 0.966 45 H CA 1.139 57.395 56.048 0.346 0.000 1.165 45 H CB 0.882 30.879 29.762 0.392 0.000 1.433 45 H HN 1.444 nan 8.280 nan 0.000 0.544 46 G N 1.721 110.797 108.800 0.461 0.000 3.199 46 G HA2 -0.186 3.775 3.960 0.001 0.000 0.680 46 G HA3 -0.186 3.775 3.960 0.001 0.000 0.680 46 G C 0.380 175.427 174.900 0.244 0.000 1.197 46 G CA -0.024 45.320 45.100 0.407 0.000 1.143 46 G HN 0.328 nan 8.290 nan 0.000 0.492 47 D N 1.306 121.804 120.400 0.164 0.000 2.103 47 D HA -0.191 4.449 4.640 0.001 0.000 0.190 47 D C 2.273 178.606 176.300 0.055 0.000 0.997 47 D CA 1.974 56.039 54.000 0.109 0.000 0.833 47 D CB -0.438 40.402 40.800 0.067 0.000 0.961 47 D HN 0.964 nan 8.370 nan 0.000 0.447 48 V N 0.038 119.955 119.914 0.004 0.000 2.548 48 V HA -0.211 3.910 4.120 0.001 0.000 0.249 48 V C 2.292 178.340 176.094 -0.076 0.000 1.055 48 V CA 1.830 64.108 62.300 -0.037 0.000 1.065 48 V CB -0.377 31.413 31.823 -0.053 0.000 0.681 48 V HN 0.041 nan 8.190 nan 0.000 0.462 49 Q N -0.382 119.324 119.800 -0.156 0.000 2.119 49 Q HA -0.102 4.238 4.340 0.001 0.000 0.201 49 Q C 2.106 178.082 176.000 -0.039 0.000 0.972 49 Q CA 2.095 57.754 55.803 -0.240 0.000 0.847 49 Q CB -0.450 27.851 28.738 -0.728 0.000 0.903 49 Q HN 0.562 nan 8.270 nan 0.000 0.433 50 V N 0.253 120.205 119.914 0.065 0.000 2.488 50 V HA -0.156 3.965 4.120 0.001 0.000 0.246 50 V C 2.059 178.177 176.094 0.040 0.000 1.046 50 V CA 1.449 63.809 62.300 0.101 0.000 1.053 50 V CB -0.881 31.055 31.823 0.188 0.000 0.679 50 V HN 0.400 nan 8.190 nan 0.000 0.458 51 A N 0.049 122.888 122.820 0.031 0.000 1.902 51 A HA -0.226 4.094 4.320 0.001 0.000 0.217 51 A C 2.379 179.966 177.584 0.006 0.000 1.181 51 A CA 1.739 53.783 52.037 0.011 0.000 0.623 51 A CB -0.480 18.524 19.000 0.006 0.000 0.818 51 A HN 0.469 nan 8.150 nan 0.000 0.443 52 R N -1.027 119.473 120.500 -0.000 0.000 2.075 52 R HA -0.084 4.257 4.340 0.001 0.000 0.232 52 R C 2.240 178.559 176.300 0.032 0.000 1.126 52 R CA 1.792 57.894 56.100 0.004 0.000 0.963 52 R CB -0.710 29.581 30.300 -0.016 0.000 0.858 52 R HN 0.562 nan 8.270 nan 0.000 0.435 53 T N 0.911 115.492 114.554 0.045 0.000 2.777 53 T HA -0.082 4.268 4.350 0.001 0.000 0.266 53 T C 1.963 176.722 174.700 0.100 0.000 1.040 53 T CA 1.285 63.447 62.100 0.103 0.000 1.141 53 T CB -0.190 68.746 68.868 0.112 0.000 0.868 53 T HN 0.340 nan 8.240 nan 0.000 0.444 54 A N 1.391 124.229 122.820 0.030 0.000 1.902 54 A HA 0.003 4.323 4.320 0.001 0.000 0.217 54 A C 2.294 179.871 177.584 -0.013 0.000 1.181 54 A CA 1.232 53.260 52.037 -0.015 0.000 0.623 54 A CB -0.894 18.088 19.000 -0.030 0.000 0.818 54 A HN 0.472 nan 8.150 nan 0.000 0.443 55 L N -1.066 120.162 121.223 0.009 0.000 2.093 55 L HA -0.175 4.165 4.340 0.001 0.000 0.208 55 L C 2.607 179.495 176.870 0.030 0.000 1.085 55 L CA 1.616 56.462 54.840 0.010 0.000 0.755 55 L CB -0.437 41.629 42.059 0.012 0.000 0.904 55 L HN 0.524 nan 8.230 nan 0.000 0.435 56 E N 0.155 120.400 120.200 0.074 0.000 2.106 56 E HA -0.196 4.154 4.350 0.001 0.000 0.192 56 E C 2.147 178.855 176.600 0.180 0.000 0.984 56 E CA 1.033 57.522 56.400 0.149 0.000 0.806 56 E CB 0.041 29.869 29.700 0.214 0.000 0.750 56 E HN 0.474 nan 8.360 nan 0.000 0.458 57 A N -0.664 122.165 122.820 0.015 0.000 2.119 57 A HA 0.164 4.485 4.320 0.001 0.000 0.216 57 A C 1.678 179.107 177.584 -0.260 0.000 1.152 57 A CA 1.260 53.052 52.037 -0.409 0.000 0.708 57 A CB 0.201 18.740 19.000 -0.768 0.000 0.805 57 A HN 0.436 nan 8.150 nan 0.000 0.460 58 G N -2.637 106.088 108.800 -0.126 0.000 3.246 58 G HA2 0.305 4.265 3.960 0.001 0.000 0.218 58 G HA3 0.305 4.265 3.960 0.001 0.000 0.218 58 G C 0.423 175.280 174.900 -0.072 0.000 0.978 58 G CA 0.061 45.097 45.100 -0.106 0.000 0.825 58 G HN 1.180 nan 8.290 nan 0.000 0.546 59 A N 0.862 123.647 122.820 -0.058 0.000 2.425 59 A HA 0.650 4.970 4.320 0.001 0.000 0.242 59 A C 1.501 179.085 177.584 0.001 0.000 1.077 59 A CA 1.360 53.383 52.037 -0.024 0.000 0.781 59 A CB 0.570 19.561 19.000 -0.016 0.000 1.020 59 A HN 1.509 nan 8.150 nan 0.000 0.494 60 S N 0.749 116.465 115.700 0.028 0.000 2.589 60 S HA 0.360 4.831 4.470 0.001 0.000 0.235 60 S C 0.597 175.201 174.600 0.006 0.000 1.051 60 S CA -0.242 57.985 58.200 0.046 0.000 0.978 60 S CB 0.247 63.538 63.200 0.151 0.000 0.929 60 S HN 0.741 nan 8.310 nan 0.000 0.523 61 R N -0.332 120.158 120.500 -0.017 0.000 2.817 61 R HA 0.798 5.139 4.340 0.001 0.000 0.268 61 R C -1.730 174.537 176.300 -0.054 0.000 1.027 61 R CA -0.684 55.381 56.100 -0.058 0.000 0.928 61 R CB 1.477 31.711 30.300 -0.109 0.000 1.228 61 R HN 0.147 nan 8.270 nan 0.000 0.469 62 L N 0.169 121.350 121.223 -0.070 0.000 2.350 62 L HA 0.923 5.263 4.340 0.001 0.000 0.260 62 L C -0.906 175.918 176.870 -0.078 0.000 1.015 62 L CA -1.137 53.670 54.840 -0.054 0.000 0.821 62 L CB 2.288 44.324 42.059 -0.039 0.000 1.370 62 L HN 0.699 nan 8.230 nan 0.000 0.416 63 A N 1.179 123.970 122.820 -0.049 0.000 2.393 63 A HA 0.883 5.204 4.320 0.001 0.000 0.306 63 A C -0.846 176.726 177.584 -0.020 0.000 1.050 63 A CA -0.580 51.423 52.037 -0.057 0.000 0.724 63 A CB 1.878 20.846 19.000 -0.053 0.000 1.248 63 A HN 0.596 nan 8.150 nan 0.000 0.424 64 V N -1.210 118.679 119.914 -0.043 0.000 3.126 64 V HA 0.902 5.023 4.120 0.001 0.000 0.314 64 V C 0.877 176.943 176.094 -0.047 0.000 1.138 64 V CA -0.032 62.232 62.300 -0.059 0.000 1.034 64 V CB 1.197 32.942 31.823 -0.130 0.000 1.075 64 V HN 1.536 nan 8.190 nan 0.000 0.442 65 A N 1.125 123.900 122.820 -0.075 0.000 1.898 65 A HA 0.515 4.836 4.320 0.001 0.000 0.214 65 A C 0.709 178.411 177.584 0.197 0.000 1.183 65 A CA 1.729 53.809 52.037 0.073 0.000 0.622 65 A CB -0.472 18.645 19.000 0.196 0.000 0.824 65 A HN 1.524 nan 8.150 nan 0.000 0.444 66 F N -5.678 114.287 119.950 0.027 0.000 2.685 66 F HA 0.616 5.144 4.527 0.000 0.000 0.315 66 F C 0.290 176.108 175.800 0.030 0.000 1.126 66 F CA -1.331 56.689 58.000 0.034 0.000 0.950 66 F CB 0.418 39.440 39.000 0.036 0.000 1.360 66 F HN -0.085 nan 8.300 nan 0.000 0.469 67 L N 1.611 122.960 121.223 0.210 0.000 2.010 67 L HA -0.216 4.125 4.340 0.001 0.000 0.219 67 L C 1.519 178.413 176.870 0.039 0.000 1.077 67 L CA 2.387 57.289 54.840 0.102 0.000 0.773 67 L CB -1.089 41.052 42.059 0.137 0.000 0.892 67 L HN 0.830 nan 8.230 nan 0.000 0.436 68 D N -0.878 119.605 120.400 0.139 0.000 2.158 68 D HA -0.224 4.416 4.640 0.001 0.000 0.197 68 D C 2.044 178.284 176.300 -0.101 0.000 0.995 68 D CA 1.664 55.709 54.000 0.076 0.000 0.846 68 D CB -0.116 40.845 40.800 0.268 0.000 0.941 68 D HN 0.551 nan 8.370 nan 0.000 0.456 69 E N -0.022 119.968 120.200 -0.350 0.000 2.152 69 E HA -0.058 4.292 4.350 0.001 0.000 0.192 69 E C 2.085 178.583 176.600 -0.170 0.000 0.983 69 E CA 0.764 56.967 56.400 -0.329 0.000 0.818 69 E CB -0.020 29.350 29.700 -0.550 0.000 0.758 69 E HN 0.300 nan 8.360 nan 0.000 0.467 70 A N 1.165 123.902 122.820 -0.138 0.000 1.897 70 A HA -0.086 4.234 4.320 0.001 0.000 0.215 70 A C 2.169 179.718 177.584 -0.058 0.000 1.181 70 A CA 0.668 52.655 52.037 -0.084 0.000 0.620 70 A CB -0.493 18.466 19.000 -0.067 0.000 0.821 70 A HN 0.099 nan 8.150 nan 0.000 0.443 71 L N -0.544 120.652 121.223 -0.045 0.000 2.012 71 L HA -0.235 4.106 4.340 0.001 0.000 0.210 71 L C 3.105 179.960 176.870 -0.026 0.000 1.073 71 L CA 1.223 56.046 54.840 -0.028 0.000 0.748 71 L CB -0.662 41.391 42.059 -0.009 0.000 0.891 71 L HN 0.440 nan 8.230 nan 0.000 0.431 72 A N 0.039 122.842 122.820 -0.028 0.000 1.902 72 A HA -0.178 4.142 4.320 0.001 0.000 0.217 72 A C 2.279 179.850 177.584 -0.022 0.000 1.181 72 A CA 1.451 53.477 52.037 -0.019 0.000 0.623 72 A CB -0.701 18.288 19.000 -0.018 0.000 0.818 72 A HN 0.367 nan 8.150 nan 0.000 0.443 73 L N -1.237 119.967 121.223 -0.032 0.000 2.131 73 L HA -0.166 4.174 4.340 0.001 0.000 0.210 73 L C 2.902 179.756 176.870 -0.028 0.000 1.092 73 L CA 0.908 55.731 54.840 -0.029 0.000 0.759 73 L CB -0.399 41.639 42.059 -0.035 0.000 0.903 73 L HN 0.312 nan 8.230 nan 0.000 0.435 74 R N 0.246 120.728 120.500 -0.030 0.000 2.066 74 R HA -0.141 4.200 4.340 0.001 0.000 0.232 74 R C 2.056 178.343 176.300 -0.022 0.000 1.131 74 R CA 1.259 57.341 56.100 -0.029 0.000 0.955 74 R CB -0.477 29.802 30.300 -0.035 0.000 0.851 74 R HN 0.445 nan 8.270 nan 0.000 0.432 75 E N 0.555 120.744 120.200 -0.018 0.000 2.110 75 E HA -0.162 4.188 4.350 0.001 0.000 0.193 75 E C 1.593 178.187 176.600 -0.011 0.000 0.988 75 E CA 1.228 57.621 56.400 -0.011 0.000 0.804 75 E CB 0.002 29.698 29.700 -0.006 0.000 0.745 75 E HN 0.205 nan 8.360 nan 0.000 0.458 76 K N -0.827 119.565 120.400 -0.013 0.000 2.555 76 K HA 0.021 4.342 4.320 0.001 0.000 0.193 76 K C 0.769 177.358 176.600 -0.018 0.000 1.032 76 K CA 0.496 56.775 56.287 -0.015 0.000 1.004 76 K CB 0.458 32.948 32.500 -0.017 0.000 0.804 76 K HN 0.269 nan 8.250 nan 0.000 0.496 77 G N 0.862 109.652 108.800 -0.017 0.000 2.144 77 G HA2 -0.179 3.782 3.960 0.001 0.000 0.218 77 G HA3 -0.179 3.782 3.960 0.001 0.000 0.218 77 G C -0.066 174.823 174.900 -0.018 0.000 0.988 77 G CA -0.611 44.480 45.100 -0.017 0.000 0.659 77 G HN 0.109 nan 8.290 nan 0.000 0.522 78 I N 1.412 121.969 120.570 -0.021 0.000 2.371 78 I HA 0.263 4.434 4.170 0.001 0.000 0.290 78 I C 1.062 177.165 176.117 -0.023 0.000 1.028 78 I CA -0.014 61.273 61.300 -0.022 0.000 1.345 78 I CB 1.142 39.128 38.000 -0.024 0.000 1.407 78 I HN 0.203 nan 8.210 nan 0.000 0.501 79 E N 4.032 124.220 120.200 -0.020 0.000 2.473 79 E HA 0.174 4.525 4.350 0.001 0.000 0.204 79 E C 0.700 177.285 176.600 -0.026 0.000 0.994 79 E CA -0.067 56.320 56.400 -0.021 0.000 0.945 79 E CB 0.636 30.328 29.700 -0.013 0.000 0.990 79 E HN 0.681 nan 8.360 nan 0.000 0.493 80 A N 3.376 126.180 122.820 -0.026 0.000 2.448 80 A HA 0.237 4.557 4.320 0.001 0.000 0.239 80 A C -2.243 175.312 177.584 -0.048 0.000 1.080 80 A CA -0.848 51.170 52.037 -0.032 0.000 0.779 80 A CB -0.452 18.533 19.000 -0.026 0.000 1.026 80 A HN -0.142 nan 8.150 nan 0.000 0.499 81 P HA 0.318 nan 4.420 nan 0.000 0.268 81 P C -0.847 176.398 177.300 -0.092 0.000 1.205 81 P CA 0.493 63.541 63.100 -0.087 0.000 0.771 81 P CB 0.337 31.971 31.700 -0.110 0.000 0.858 82 I N 2.709 123.220 120.570 -0.098 0.000 2.545 82 I HA 0.415 4.585 4.170 0.001 0.000 0.292 82 I C -0.513 175.526 176.117 -0.130 0.000 1.040 82 I CA -1.094 60.145 61.300 -0.102 0.000 1.068 82 I CB 2.002 39.955 38.000 -0.079 0.000 1.251 82 I HN 0.158 nan 8.210 nan 0.000 0.424 83 L N 7.115 128.241 121.223 -0.160 0.000 2.341 83 L HA 0.584 4.924 4.340 0.001 0.000 0.278 83 L C -1.016 175.781 176.870 -0.123 0.000 1.005 83 L CA -0.428 54.291 54.840 -0.203 0.000 0.818 83 L CB 1.868 43.700 42.059 -0.377 0.000 1.259 83 L HN 0.326 nan 8.230 nan 0.000 0.418 84 V N 6.950 126.821 119.914 -0.071 0.000 2.385 84 V HA 0.172 4.292 4.120 0.001 0.000 0.269 84 V C 1.182 177.292 176.094 0.027 0.000 1.043 84 V CA -0.132 62.161 62.300 -0.012 0.000 0.906 84 V CB 1.182 33.021 31.823 0.026 0.000 0.995 84 V HN 0.857 nan 8.190 nan 0.000 0.467 85 L N 4.331 125.578 121.223 0.040 0.000 2.240 85 L HA 0.165 4.506 4.340 0.001 0.000 0.211 85 L C 1.659 178.607 176.870 0.130 0.000 1.106 85 L CA 1.126 56.024 54.840 0.097 0.000 0.793 85 L CB -0.347 41.746 42.059 0.056 0.000 0.927 85 L HN 0.770 nan 8.230 nan 0.000 0.446 86 G N -0.698 108.178 108.800 0.126 0.000 2.641 86 G HA2 0.596 4.557 3.960 0.001 0.000 0.239 86 G HA3 0.596 4.557 3.960 0.001 0.000 0.239 86 G C -0.491 174.521 174.900 0.187 0.000 1.402 86 G CA 0.038 45.219 45.100 0.135 0.000 1.046 86 G HN 0.186 nan 8.290 nan 0.000 0.565 87 A N -0.888 122.052 122.820 0.200 0.000 2.304 87 A HA 0.681 5.001 4.320 0.001 0.000 0.271 87 A C 0.471 178.169 177.584 0.189 0.000 1.091 87 A CA 0.501 52.676 52.037 0.229 0.000 0.812 87 A CB 0.444 19.599 19.000 0.260 0.000 1.056 87 A HN 1.833 nan 8.150 nan 0.000 0.489 88 S N 0.371 116.197 115.700 0.211 0.000 2.607 88 S HA 0.678 5.148 4.470 0.001 0.000 0.273 88 S C -0.808 174.066 174.600 0.457 0.000 1.148 88 S CA -1.044 57.325 58.200 0.283 0.000 0.833 88 S CB 1.125 64.484 63.200 0.267 0.000 1.130 88 S HN 0.745 nan 8.310 nan 0.000 0.470 89 R N 0.827 121.515 120.500 0.315 0.000 2.357 89 R HA 0.378 4.719 4.340 0.001 0.000 0.296 89 R C -2.000 174.341 176.300 0.070 0.000 1.052 89 R CA -2.056 54.163 56.100 0.199 0.000 0.988 89 R CB 0.243 30.593 30.300 0.082 0.000 1.025 89 R HN 0.432 nan 8.270 nan 0.000 0.469 90 P HA -0.179 nan 4.420 nan 0.000 0.218 90 P C 0.791 177.892 177.300 -0.333 0.000 1.148 90 P CA 1.212 63.815 63.100 -0.829 0.000 0.822 90 P CB 0.185 31.294 31.700 -0.985 0.000 0.784 91 A N -0.513 122.206 122.820 -0.168 0.000 2.121 91 A HA -0.137 4.183 4.320 0.001 0.000 0.218 91 A C 1.568 179.136 177.584 -0.027 0.000 1.154 91 A CA 1.457 53.452 52.037 -0.070 0.000 0.679 91 A CB -0.934 18.043 19.000 -0.038 0.000 0.795 91 A HN 0.073 nan 8.150 nan 0.000 0.458 92 D N -0.567 119.830 120.400 -0.006 0.000 2.340 92 D HA 0.316 4.956 4.640 0.001 0.000 0.217 92 D C 1.849 178.150 176.300 0.003 0.000 1.081 92 D CA 0.745 54.759 54.000 0.024 0.000 0.842 92 D CB 0.190 41.032 40.800 0.071 0.000 0.934 92 D HN 0.387 nan 8.370 nan 0.000 0.511 93 A N 1.203 124.002 122.820 -0.034 0.000 1.883 93 A HA -0.138 4.182 4.320 0.001 0.000 0.217 93 A C 2.315 179.703 177.584 -0.326 0.000 1.186 93 A CA 2.015 53.990 52.037 -0.103 0.000 0.624 93 A CB -0.530 18.406 19.000 -0.106 0.000 0.822 93 A HN 0.249 nan 8.150 nan 0.000 0.444 94 A N -0.621 121.996 122.820 -0.338 0.000 1.902 94 A HA -0.042 4.278 4.320 0.001 0.000 0.217 94 A C 2.156 179.672 177.584 -0.114 0.000 1.181 94 A CA 1.768 53.633 52.037 -0.288 0.000 0.623 94 A CB -0.635 18.430 19.000 0.107 0.000 0.818 94 A HN 0.763 nan 8.150 nan 0.000 0.443 95 L N -0.279 120.903 121.223 -0.068 0.000 2.046 95 L HA -0.060 4.281 4.340 0.001 0.000 0.208 95 L C 2.641 179.460 176.870 -0.085 0.000 1.077 95 L CA 2.247 57.055 54.840 -0.053 0.000 0.747 95 L CB -0.739 41.310 42.059 -0.017 0.000 0.896 95 L HN 0.333 nan 8.230 nan 0.000 0.432 96 A N -0.397 122.372 122.820 -0.086 0.000 1.877 96 A HA -0.085 4.235 4.320 0.001 0.000 0.216 96 A C 2.464 179.976 177.584 -0.121 0.000 1.186 96 A CA 1.819 53.804 52.037 -0.085 0.000 0.620 96 A CB -1.267 17.697 19.000 -0.061 0.000 0.822 96 A HN 0.580 nan 8.150 nan 0.000 0.443 97 A N -1.258 121.462 122.820 -0.166 0.000 1.940 97 A HA -0.219 4.101 4.320 0.001 0.000 0.219 97 A C 2.176 179.657 177.584 -0.173 0.000 1.176 97 A CA 1.680 53.650 52.037 -0.111 0.000 0.631 97 A CB -0.523 18.410 19.000 -0.112 0.000 0.814 97 A HN 0.588 nan 8.150 nan 0.000 0.446 98 Q N -0.967 118.662 119.800 -0.286 0.000 2.119 98 Q HA -0.137 4.203 4.340 0.001 0.000 0.201 98 Q C 1.400 177.164 176.000 -0.394 0.000 0.972 98 Q CA 1.213 56.666 55.803 -0.583 0.000 0.847 98 Q CB -0.073 28.443 28.738 -0.370 0.000 0.903 98 Q HN 0.652 nan 8.270 nan 0.000 0.433 99 Q N 0.118 119.791 119.800 -0.212 0.000 2.365 99 Q HA 0.071 4.411 4.340 0.001 0.000 0.203 99 Q C -0.424 175.515 176.000 -0.102 0.000 0.929 99 Q CA 0.013 55.732 55.803 -0.139 0.000 0.948 99 Q CB 0.303 28.984 28.738 -0.094 0.000 1.043 99 Q HN 0.317 nan 8.270 nan 0.000 0.505 100 R N 0.358 120.800 120.500 -0.095 0.000 3.267 100 R HA -0.164 4.176 4.340 0.001 0.000 0.254 100 R C -0.676 175.595 176.300 -0.048 0.000 0.993 100 R CA 0.379 56.454 56.100 -0.042 0.000 0.670 100 R CB -2.458 27.819 30.300 -0.037 0.000 1.125 100 R HN 0.213 nan 8.270 nan 0.000 0.434 101 I N 0.547 121.086 120.570 -0.052 0.000 2.406 101 I HA 0.458 4.628 4.170 0.001 0.000 0.290 101 I C 0.762 176.845 176.117 -0.056 0.000 0.999 101 I CA -0.750 60.515 61.300 -0.058 0.000 1.124 101 I CB 1.865 39.832 38.000 -0.056 0.000 1.289 101 I HN 0.269 nan 8.210 nan 0.000 0.441 102 A N 7.629 130.413 122.820 -0.061 0.000 2.354 102 A HA 0.763 5.083 4.320 0.001 0.000 0.269 102 A C -0.529 177.027 177.584 -0.048 0.000 1.109 102 A CA -0.207 51.807 52.037 -0.037 0.000 0.800 102 A CB 0.438 19.418 19.000 -0.033 0.000 1.045 102 A HN 0.696 nan 8.150 nan 0.000 0.489 103 L N 1.129 122.341 121.223 -0.018 0.000 2.342 103 L HA 0.458 4.799 4.340 0.001 0.000 0.271 103 L C 0.223 177.189 176.870 0.160 0.000 1.008 103 L CA -0.621 54.245 54.840 0.044 0.000 0.818 103 L CB 2.238 44.323 42.059 0.044 0.000 1.296 103 L HN 0.656 nan 8.230 nan 0.000 0.427 104 T N 1.694 116.315 114.554 0.110 0.000 2.856 104 T HA 0.412 4.762 4.350 0.001 0.000 0.292 104 T C -0.598 174.060 174.700 -0.069 0.000 0.980 104 T CA -0.215 61.993 62.100 0.180 0.000 1.091 104 T CB 1.719 70.745 68.868 0.263 0.000 0.936 104 T HN 0.307 nan 8.240 nan 0.000 0.503 105 V N 5.375 125.228 119.914 -0.102 0.000 2.709 105 V HA 0.720 4.841 4.120 0.001 0.000 0.308 105 V C -1.097 174.842 176.094 -0.257 0.000 1.062 105 V CA -0.817 61.180 62.300 -0.505 0.000 0.901 105 V CB 1.374 32.807 31.823 -0.649 0.000 1.003 105 V HN 0.926 nan 8.190 nan 0.000 0.425 106 F N 3.666 123.460 119.950 -0.260 0.000 3.022 106 F HA 0.619 5.147 4.527 0.001 0.000 0.351 106 F C 0.187 175.928 175.800 -0.099 0.000 1.170 106 F CA -0.721 57.185 58.000 -0.156 0.000 1.066 106 F CB 0.158 39.071 39.000 -0.144 0.000 1.297 106 F HN 0.286 nan 8.300 nan 0.000 0.519 107 R N 0.693 120.981 120.500 -0.353 0.000 2.621 107 R HA 0.389 4.729 4.340 0.001 0.000 0.284 107 R C 0.795 177.045 176.300 -0.085 0.000 0.998 107 R CA 0.086 56.105 56.100 -0.134 0.000 0.895 107 R CB 2.077 32.301 30.300 -0.127 0.000 1.195 107 R HN 0.188 nan 8.270 nan 0.000 0.450 108 S N 0.579 116.267 115.700 -0.019 0.000 2.406 108 S HA -0.153 4.318 4.470 0.001 0.000 0.228 108 S C 1.296 175.918 174.600 0.036 0.000 1.020 108 S CA 1.448 59.648 58.200 -0.000 0.000 0.965 108 S CB -0.110 63.093 63.200 0.004 0.000 0.798 108 S HN 0.757 nan 8.310 nan 0.000 0.488 109 D N 0.024 120.450 120.400 0.043 0.000 2.310 109 D HA -0.144 4.496 4.640 0.001 0.000 0.212 109 D C 1.466 177.809 176.300 0.071 0.000 0.965 109 D CA 0.452 54.481 54.000 0.048 0.000 0.879 109 D CB -0.948 39.876 40.800 0.040 0.000 0.921 109 D HN 0.691 nan 8.370 nan 0.000 0.510 110 W N 0.928 122.150 121.300 -0.130 0.000 2.409 110 W HA 0.103 4.763 4.660 0.001 0.000 0.299 110 W C 1.920 178.362 176.519 -0.129 0.000 1.203 110 W CA 0.795 58.049 57.345 -0.153 0.000 1.298 110 W CB -0.096 29.198 29.460 -0.277 0.000 1.127 110 W HN -0.097 nan 8.180 nan 0.000 0.528 111 L N 0.399 121.780 121.223 0.263 0.000 2.141 111 L HA -0.173 4.168 4.340 0.001 0.000 0.209 111 L C 2.341 179.289 176.870 0.130 0.000 1.094 111 L CA 1.507 56.450 54.840 0.171 0.000 0.763 111 L CB -0.736 41.361 42.059 0.065 0.000 0.908 111 L HN 0.018 nan 8.230 nan 0.000 0.437 112 E N 0.108 120.353 120.200 0.076 0.000 2.058 112 E HA -0.272 4.078 4.350 0.001 0.000 0.194 112 E C 2.090 178.705 176.600 0.026 0.000 0.997 112 E CA 1.520 57.957 56.400 0.061 0.000 0.801 112 E CB 0.065 29.784 29.700 0.032 0.000 0.746 112 E HN 0.399 nan 8.360 nan 0.000 0.450 113 E N -0.187 119.977 120.200 -0.060 0.000 2.051 113 E HA -0.214 4.136 4.350 0.001 0.000 0.192 113 E C 1.963 178.483 176.600 -0.133 0.000 0.991 113 E CA 1.105 57.428 56.400 -0.130 0.000 0.799 113 E CB -0.114 29.439 29.700 -0.246 0.000 0.748 113 E HN 0.283 nan 8.360 nan 0.000 0.449 114 A N 0.347 123.026 122.820 -0.235 0.000 1.933 114 A HA -0.191 4.129 4.320 0.001 0.000 0.218 114 A C 2.291 180.042 177.584 0.279 0.000 1.175 114 A CA 1.701 53.680 52.037 -0.095 0.000 0.628 114 A CB -0.488 18.357 19.000 -0.259 0.000 0.814 114 A HN 0.156 nan 8.150 nan 0.000 0.444 115 S N -0.077 115.823 115.700 0.334 0.000 2.351 115 S HA -0.116 4.354 4.470 0.001 0.000 0.220 115 S C 2.317 177.036 174.600 0.197 0.000 1.035 115 S CA 1.368 59.753 58.200 0.308 0.000 1.031 115 S CB -0.565 62.790 63.200 0.259 0.000 0.928 115 S HN 0.843 nan 8.310 nan 0.000 0.433 116 A N 0.542 123.432 122.820 0.117 0.000 2.076 116 A HA 0.006 4.326 4.320 0.001 0.000 0.220 116 A C 1.914 179.543 177.584 0.075 0.000 1.160 116 A CA 1.161 53.239 52.037 0.069 0.000 0.653 116 A CB -0.502 18.518 19.000 0.033 0.000 0.801 116 A HN 0.487 nan 8.150 nan 0.000 0.455 117 L N -3.415 117.871 121.223 0.105 0.000 2.556 117 L HA 0.244 4.584 4.340 0.001 0.000 0.226 117 L C 0.529 177.533 176.870 0.223 0.000 1.089 117 L CA 0.055 54.964 54.840 0.115 0.000 0.864 117 L CB 0.148 42.244 42.059 0.062 0.000 1.067 117 L HN 0.457 nan 8.230 nan 0.000 0.477 118 Y N -0.340 120.029 120.300 0.115 0.000 2.364 118 Y HA 0.235 4.785 4.550 0.001 0.000 0.340 118 Y C 0.982 177.008 175.900 0.211 0.000 0.975 118 Y CA -0.484 57.705 58.100 0.148 0.000 1.089 118 Y CB 1.619 40.202 38.460 0.206 0.000 1.192 118 Y HN -0.017 nan 8.280 nan 0.000 0.454 119 S N 2.217 117.669 115.700 -0.413 0.000 2.549 119 S HA 0.690 5.161 4.470 0.001 0.000 0.225 119 S C 0.588 174.821 174.600 -0.611 0.000 1.039 119 S CA 0.156 58.169 58.200 -0.313 0.000 0.942 119 S CB 0.866 63.946 63.200 -0.200 0.000 0.881 119 S HN 1.284 nan 8.310 nan 0.000 0.503 120 G N 2.168 110.209 108.800 -1.265 0.000 2.315 120 G HA2 0.169 4.129 3.960 0.001 0.000 0.296 120 G HA3 0.169 4.129 3.960 0.001 0.000 0.296 120 G C -2.657 171.808 174.900 -0.724 0.000 1.289 120 G CA -0.168 44.112 45.100 -1.368 0.000 0.996 120 G HN 0.060 nan 8.290 nan 0.000 0.487 121 P HA 0.258 nan 4.420 nan 0.000 0.239 121 P C 0.347 177.371 177.300 -0.459 0.000 1.188 121 P CA 0.273 62.976 63.100 -0.661 0.000 0.794 121 P CB 0.066 31.444 31.700 -0.537 0.000 0.937 122 F N 3.452 123.402 119.950 0.000 0.000 2.484 122 F HA 0.289 4.816 4.527 0.000 0.000 0.360 122 F C -1.623 174.352 175.800 0.290 0.000 1.101 122 F CA -2.602 55.499 58.000 0.169 0.000 1.251 122 F CB -0.470 38.645 39.000 0.191 0.000 1.132 122 F HN -0.084 nan 8.300 nan 0.000 0.570 123 P HA 0.324 nan 4.420 nan 0.000 0.282 123 P C -0.660 176.715 177.300 0.125 0.000 1.249 123 P CA -0.206 63.079 63.100 0.310 0.000 0.806 123 P CB 1.450 33.236 31.700 0.143 0.000 0.984 124 I N 3.090 123.675 120.570 0.025 0.000 2.354 124 I HA 0.264 4.434 4.170 0.001 0.000 0.292 124 I C 0.254 176.024 176.117 -0.579 0.000 0.989 124 I CA -0.770 60.346 61.300 -0.305 0.000 1.188 124 I CB 0.638 38.328 38.000 -0.516 0.000 1.342 124 I HN 0.347 nan 8.210 nan 0.000 0.457 125 H N 5.823 124.693 119.070 -0.333 0.000 2.552 125 H HA 0.439 4.995 4.556 0.000 0.000 0.311 125 H C -0.926 174.243 175.328 -0.266 0.000 1.071 125 H CA -0.016 55.921 56.048 -0.186 0.000 1.307 125 H CB 0.701 30.452 29.762 -0.019 0.000 1.416 125 H HN 0.292 nan 8.280 nan 0.000 0.464 126 F N 1.585 121.616 119.950 0.134 0.000 2.470 126 F HA 0.330 4.857 4.527 0.000 0.000 0.329 126 F C 0.539 176.437 175.800 0.164 0.000 1.072 126 F CA -0.523 57.535 58.000 0.096 0.000 0.989 126 F CB 1.236 40.202 39.000 -0.057 0.000 1.193 126 F HN 0.504 nan 8.300 nan 0.000 0.481 127 H N 3.031 122.275 119.070 0.290 0.000 2.646 127 H HA 0.318 4.874 4.556 0.000 0.000 0.328 127 H C -0.712 174.767 175.328 0.252 0.000 0.998 127 H CA -0.861 55.362 56.048 0.292 0.000 1.225 127 H CB 2.388 32.355 29.762 0.342 0.000 1.457 127 H HN 0.453 nan 8.280 nan 0.000 0.505 131 D N 2.063 122.391 120.400 -0.120 0.000 2.316 131 D HA 0.351 4.991 4.640 0.001 0.000 0.245 131 D C 0.689 176.934 176.300 -0.092 0.000 1.171 131 D CA 0.314 54.245 54.000 -0.114 0.000 0.856 131 D CB 1.241 42.003 40.800 -0.064 0.000 1.090 131 D HN 0.713 nan 8.370 nan 0.000 0.476 132 T N 0.235 114.703 114.554 -0.143 0.000 3.085 132 T HA 0.435 4.785 4.350 0.001 0.000 0.264 132 T C 1.112 175.758 174.700 -0.090 0.000 1.019 132 T CA 0.166 62.165 62.100 -0.168 0.000 0.910 132 T CB 0.540 69.243 68.868 -0.274 0.000 1.059 132 T HN 0.455 nan 8.240 nan 0.000 0.542 133 G N 1.009 109.835 108.800 0.043 0.000 3.288 133 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 133 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 133 G C 0.506 175.575 174.900 0.282 0.000 0.944 133 G CA 0.204 45.447 45.100 0.239 0.000 0.854 133 G HN 0.312 nan 8.290 nan 0.000 0.632 134 M N 1.223 120.906 119.600 0.137 0.000 2.334 134 M HA 0.424 4.904 4.480 0.001 0.000 0.266 134 M C 1.989 178.335 176.300 0.076 0.000 1.082 134 M CA 2.367 57.743 55.300 0.126 0.000 1.141 134 M CB -0.053 32.595 32.600 0.082 0.000 1.380 134 M HN 1.309 nan 8.290 nan 0.000 0.440 135 G N 0.435 109.260 108.800 0.041 0.000 2.155 135 G HA2 -0.343 3.617 3.960 0.001 0.000 0.257 135 G HA3 -0.343 3.617 3.960 0.001 0.000 0.257 135 G C 0.977 175.857 174.900 -0.033 0.000 0.983 135 G CA 0.863 45.970 45.100 0.012 0.000 0.676 135 G HN 0.518 nan 8.290 nan 0.000 0.528 136 R N -0.930 119.533 120.500 -0.061 0.000 1.981 136 R HA 0.635 4.975 4.340 0.001 0.000 0.207 136 R C 0.980 177.148 176.300 -0.219 0.000 1.375 136 R CA 0.738 56.773 56.100 -0.109 0.000 1.068 136 R CB 0.025 30.273 30.300 -0.088 0.000 0.890 136 R HN 0.361 nan 8.270 nan 0.000 0.481 137 L N -1.112 119.927 121.223 -0.308 0.000 2.283 137 L HA 0.627 4.967 4.340 0.001 0.000 0.259 137 L C -0.486 176.123 176.870 -0.435 0.000 1.027 137 L CA -0.636 53.856 54.840 -0.581 0.000 0.828 137 L CB 2.274 43.831 42.059 -0.836 0.000 1.380 137 L HN 0.675 nan 8.230 nan 0.000 0.425 138 G N 0.084 108.616 108.800 -0.448 0.000 2.525 138 G HA2 0.137 4.097 3.960 0.001 0.000 0.685 138 G HA3 0.137 4.097 3.960 0.001 0.000 0.685 138 G C -1.029 173.869 174.900 -0.003 0.000 1.285 138 G CA -0.551 44.455 45.100 -0.157 0.000 0.849 138 G HN 0.735 nan 8.290 nan 0.000 0.653 139 V N -0.936 119.016 119.914 0.063 0.000 2.924 139 V HA 0.721 4.841 4.120 0.001 0.000 0.305 139 V C 0.954 177.118 176.094 0.117 0.000 1.073 139 V CA 0.320 62.683 62.300 0.106 0.000 1.098 139 V CB 1.591 33.491 31.823 0.128 0.000 1.000 139 V HN 0.848 nan 8.190 nan 0.000 0.484 140 K N 1.209 121.694 120.400 0.142 0.000 2.474 140 K HA 0.237 4.558 4.320 0.001 0.000 0.204 140 K C -0.062 176.704 176.600 0.276 0.000 1.220 140 K CA 0.627 57.018 56.287 0.175 0.000 0.966 140 K CB 0.622 33.187 32.500 0.108 0.000 1.049 140 K HN 1.073 nan 8.250 nan 0.000 0.554 141 D N -0.826 119.671 120.400 0.160 0.000 2.477 141 D HA 0.132 4.772 4.640 0.001 0.000 0.234 141 D C 0.597 176.643 176.300 -0.423 0.000 1.048 141 D CA -0.748 53.211 54.000 -0.068 0.000 0.959 141 D CB 1.545 42.289 40.800 -0.092 0.000 1.408 141 D HN -0.169 nan 8.370 nan 0.000 0.496 142 E N -0.248 119.288 120.200 -1.106 0.000 2.106 142 E HA -0.249 4.101 4.350 0.001 0.000 0.192 142 E C 1.514 177.816 176.600 -0.497 0.000 0.984 142 E CA 0.796 56.462 56.400 -1.223 0.000 0.806 142 E CB 0.163 28.921 29.700 -1.569 0.000 0.750 142 E HN 0.664 nan 8.360 nan 0.000 0.458 143 E N 0.726 120.721 120.200 -0.342 0.000 2.051 143 E HA -0.275 4.075 4.350 0.001 0.000 0.192 143 E C 1.950 178.479 176.600 -0.119 0.000 0.991 143 E CA 1.558 57.846 56.400 -0.187 0.000 0.799 143 E CB -0.053 29.565 29.700 -0.137 0.000 0.748 143 E HN 0.126 nan 8.360 nan 0.000 0.449 144 E N 0.156 120.299 120.200 -0.095 0.000 2.106 144 E HA -0.114 4.236 4.350 0.001 0.000 0.192 144 E C 1.959 178.547 176.600 -0.021 0.000 0.984 144 E CA 2.003 58.380 56.400 -0.037 0.000 0.806 144 E CB -0.382 29.315 29.700 -0.005 0.000 0.750 144 E HN 0.217 nan 8.360 nan 0.000 0.458 145 T N 1.064 115.606 114.554 -0.020 0.000 2.643 145 T HA -0.119 4.232 4.350 0.001 0.000 0.264 145 T C 1.615 176.322 174.700 0.012 0.000 1.045 145 T CA 1.559 63.685 62.100 0.043 0.000 1.155 145 T CB -0.161 68.809 68.868 0.170 0.000 0.863 145 T HN 0.065 nan 8.240 nan 0.000 0.420 146 K N 1.026 121.405 120.400 -0.035 0.000 2.103 146 K HA -0.027 4.294 4.320 0.001 0.000 0.207 146 K C 2.344 178.935 176.600 -0.015 0.000 1.048 146 K CA 1.172 57.443 56.287 -0.028 0.000 0.930 146 K CB -0.397 32.062 32.500 -0.067 0.000 0.716 146 K HN 0.227 nan 8.250 nan 0.000 0.444 147 R N 0.832 121.318 120.500 -0.022 0.000 2.081 147 R HA 0.010 4.351 4.340 0.001 0.000 0.235 147 R C 2.362 178.664 176.300 0.004 0.000 1.131 147 R CA 1.060 57.154 56.100 -0.009 0.000 0.960 147 R CB -0.288 30.004 30.300 -0.013 0.000 0.856 147 R HN 0.116 nan 8.270 nan 0.000 0.436 148 I N -0.315 120.252 120.570 -0.004 0.000 2.226 148 I HA -0.268 3.902 4.170 0.001 0.000 0.245 148 I C 2.044 178.162 176.117 0.001 0.000 1.100 148 I CA 1.038 62.327 61.300 -0.018 0.000 1.374 148 I CB -0.178 37.797 38.000 -0.043 0.000 1.057 148 I HN 0.047 nan 8.210 nan 0.000 0.413 149 V N 1.065 120.988 119.914 0.016 0.000 2.332 149 V HA -0.331 3.790 4.120 0.001 0.000 0.248 149 V C 2.700 178.824 176.094 0.051 0.000 1.055 149 V CA 2.073 64.394 62.300 0.035 0.000 1.038 149 V CB -1.059 30.784 31.823 0.033 0.000 0.651 149 V HN 0.507 nan 8.190 nan 0.000 0.450 150 A N -0.286 122.558 122.820 0.040 0.000 1.858 150 A HA -0.179 4.141 4.320 0.001 0.000 0.216 150 A C 2.229 179.858 177.584 0.076 0.000 1.190 150 A CA 1.950 54.014 52.037 0.046 0.000 0.617 150 A CB -0.638 18.379 19.000 0.028 0.000 0.827 150 A HN 0.472 nan 8.150 nan 0.000 0.443 151 L N -0.515 120.759 121.223 0.085 0.000 2.013 151 L HA -0.239 4.102 4.340 0.001 0.000 0.212 151 L C 2.549 179.563 176.870 0.239 0.000 1.073 151 L CA 1.584 56.508 54.840 0.141 0.000 0.753 151 L CB -0.493 41.644 42.059 0.129 0.000 0.890 151 L HN 0.414 nan 8.230 nan 0.000 0.432 152 I N -0.626 120.073 120.570 0.216 0.000 2.179 152 I HA -0.300 3.870 4.170 0.001 0.000 0.242 152 I C 2.508 178.791 176.117 0.277 0.000 1.088 152 I CA 1.239 62.730 61.300 0.319 0.000 1.357 152 I CB -0.180 37.929 38.000 0.183 0.000 1.051 152 I HN 0.254 nan 8.210 nan 0.000 0.409 153 E N 0.744 121.042 120.200 0.164 0.000 2.077 153 E HA -0.205 4.146 4.350 0.001 0.000 0.193 153 E C 2.337 178.994 176.600 0.096 0.000 0.989 153 E CA 1.198 57.666 56.400 0.114 0.000 0.800 153 E CB 0.009 29.752 29.700 0.072 0.000 0.746 153 E HN 0.207 nan 8.360 nan 0.000 0.452 154 R N -0.253 120.303 120.500 0.093 0.000 2.080 154 R HA -0.109 4.231 4.340 0.001 0.000 0.236 154 R C 0.964 177.273 176.300 0.015 0.000 1.137 154 R CA 0.920 57.048 56.100 0.046 0.000 0.943 154 R CB -0.571 29.757 30.300 0.047 0.000 0.846 154 R HN 0.313 nan 8.270 nan 0.000 0.431 155 H N 1.875 120.912 119.070 -0.056 0.000 2.803 155 H HA 0.032 4.588 4.556 0.001 0.000 0.330 155 H C -1.613 173.617 175.328 -0.163 0.000 1.057 155 H CA -1.701 54.218 56.048 -0.216 0.000 1.458 155 H CB 1.564 30.941 29.762 -0.643 0.000 1.470 155 H HN 0.021 nan 8.280 nan 0.000 0.560 156 P HA -0.090 nan 4.420 nan 0.000 0.223 156 P C 0.527 177.676 177.300 -0.251 0.000 1.151 156 P CA 1.202 64.140 63.100 -0.270 0.000 0.787 156 P CB 0.471 31.865 31.700 -0.510 0.000 0.788 157 H N -2.113 117.239 119.070 0.471 0.000 2.594 157 H HA 0.234 4.791 4.556 0.000 0.000 0.279 157 H C 0.024 175.615 175.328 0.437 0.000 1.042 157 H CA -0.275 55.988 56.048 0.358 0.000 1.177 157 H CB 0.108 30.094 29.762 0.374 0.000 1.524 157 H HN 0.080 nan 8.280 nan 0.000 0.537 158 F N 1.919 122.028 119.950 0.265 0.000 2.415 158 F HA 0.325 4.852 4.527 0.001 0.000 0.348 158 F C 0.353 176.259 175.800 0.177 0.000 1.119 158 F CA -1.376 56.771 58.000 0.244 0.000 1.069 158 F CB 1.404 40.592 39.000 0.314 0.000 1.124 158 F HN -0.298 nan 8.300 nan 0.000 0.472 159 V N 5.233 125.304 119.914 0.262 0.000 2.540 159 V HA 0.324 4.444 4.120 0.001 0.000 0.302 159 V C -0.578 175.632 176.094 0.194 0.000 1.035 159 V CA -0.913 61.466 62.300 0.131 0.000 0.873 159 V CB 2.239 34.003 31.823 -0.098 0.000 0.992 159 V HN 0.466 nan 8.190 nan 0.000 0.428 160 L N 3.733 125.063 121.223 0.178 0.000 2.302 160 L HA 0.386 4.726 4.340 0.001 0.000 0.285 160 L C 1.238 178.152 176.870 0.073 0.000 1.090 160 L CA 0.629 55.556 54.840 0.145 0.000 0.866 160 L CB 0.411 42.531 42.059 0.102 0.000 1.244 160 L HN 0.869 nan 8.230 nan 0.000 0.435 161 E N 2.889 123.111 120.200 0.038 0.000 2.230 161 E HA 0.201 4.552 4.350 0.001 0.000 0.192 161 E C 0.528 176.966 176.600 -0.269 0.000 0.987 161 E CA 0.620 56.993 56.400 -0.046 0.000 0.841 161 E CB 0.344 30.081 29.700 0.061 0.000 0.783 161 E HN 0.759 nan 8.360 nan 0.000 0.481 162 G N 0.479 109.001 108.800 -0.463 0.000 2.559 162 G HA2 0.463 4.423 3.960 0.001 0.000 0.291 162 G HA3 0.463 4.423 3.960 0.001 0.000 0.291 162 G C -1.789 173.068 174.900 -0.072 0.000 1.424 162 G CA -0.402 44.506 45.100 -0.320 0.000 0.786 162 G HN 0.172 nan 8.290 nan 0.000 0.485 163 L N -0.890 120.383 121.223 0.084 0.000 2.472 163 L HA 0.933 5.274 4.340 0.001 0.000 0.260 163 L C -1.496 175.451 176.870 0.128 0.000 0.963 163 L CA -1.363 53.552 54.840 0.124 0.000 0.829 163 L CB 0.752 42.828 42.059 0.028 0.000 1.348 163 L HN 1.235 nan 8.230 nan 0.000 0.408 164 Y N -0.220 119.964 120.300 -0.193 0.000 2.744 164 Y HA 0.885 5.435 4.550 0.000 0.000 0.330 164 Y C -0.758 174.894 175.900 -0.413 0.000 1.263 164 Y CA -0.643 57.211 58.100 -0.409 0.000 1.065 164 Y CB 1.210 39.066 38.460 -1.008 0.000 1.306 164 Y HN 0.919 nan 8.280 nan 0.000 0.459 165 T N -0.699 113.441 114.554 -0.690 0.000 2.778 165 T HA 0.533 4.884 4.350 0.001 0.000 0.293 165 T C -2.387 172.019 174.700 -0.490 0.000 1.144 165 T CA -0.447 61.188 62.100 -0.775 0.000 1.010 165 T CB 1.325 69.506 68.868 -1.146 0.000 1.325 165 T HN 0.987 nan 8.240 nan 0.000 0.515 166 H N -0.095 118.630 119.070 -0.576 0.000 2.865 166 H HA 0.602 5.158 4.556 0.001 0.000 0.362 166 H C -1.514 173.588 175.328 -0.377 0.000 1.114 166 H CA -0.723 55.096 56.048 -0.381 0.000 1.208 166 H CB 0.745 30.436 29.762 -0.118 0.000 1.727 166 H HN 0.463 nan 8.280 nan 0.000 0.534 167 F N 2.521 122.229 119.950 -0.403 0.000 2.385 167 F HA 0.448 4.975 4.527 0.001 0.000 0.336 167 F C 1.262 176.962 175.800 -0.166 0.000 1.100 167 F CA 0.007 57.908 58.000 -0.164 0.000 1.116 167 F CB 1.654 40.708 39.000 0.090 0.000 1.166 167 F HN 0.731 nan 8.300 nan 0.000 0.511 168 A N 0.793 123.779 122.820 0.276 0.000 2.115 168 A HA 0.071 4.392 4.320 0.001 0.000 0.211 168 A C 1.214 178.936 177.584 0.229 0.000 1.169 168 A CA 1.029 53.202 52.037 0.227 0.000 0.787 168 A CB -0.411 18.760 19.000 0.286 0.000 0.858 168 A HN 0.755 nan 8.150 nan 0.000 0.474 169 T N -4.691 110.056 114.554 0.322 0.000 3.516 169 T HA 0.534 4.885 4.350 0.001 0.000 0.300 169 T C 0.903 175.717 174.700 0.189 0.000 0.995 169 T CA 0.539 62.785 62.100 0.243 0.000 0.982 169 T CB 0.251 69.292 68.868 0.288 0.000 1.199 169 T HN 0.364 nan 8.240 nan 0.000 0.481 170 A N 2.094 125.019 122.820 0.176 0.000 2.168 170 A HA 0.069 4.389 4.320 0.001 0.000 0.215 170 A C 1.822 179.358 177.584 -0.080 0.000 1.152 170 A CA 1.083 53.101 52.037 -0.031 0.000 0.716 170 A CB -0.352 18.693 19.000 0.074 0.000 0.794 170 A HN 0.698 nan 8.150 nan 0.000 0.465 171 D N -0.688 119.720 120.400 0.013 0.000 2.342 171 D HA 0.120 4.760 4.640 0.001 0.000 0.221 171 D C 0.108 176.406 176.300 -0.004 0.000 1.101 171 D CA -0.069 53.933 54.000 0.003 0.000 0.837 171 D CB -0.180 40.657 40.800 0.062 0.000 0.938 171 D HN 0.408 nan 8.370 nan 0.000 0.508 172 E N -0.205 119.995 120.200 -0.001 0.000 2.191 172 E HA 0.245 4.595 4.350 0.001 0.000 0.278 172 E C 1.016 177.610 176.600 -0.011 0.000 0.972 172 E CA -0.589 55.816 56.400 0.010 0.000 0.804 172 E CB 2.384 32.109 29.700 0.043 0.000 1.110 172 E HN -0.242 nan 8.360 nan 0.000 0.394 173 V N 3.186 123.095 119.914 -0.008 0.000 2.287 173 V HA -0.231 3.889 4.120 0.001 0.000 0.248 173 V C 1.123 177.224 176.094 0.012 0.000 1.053 173 V CA 1.389 63.682 62.300 -0.012 0.000 1.027 173 V CB -0.532 31.286 31.823 -0.008 0.000 0.646 173 V HN 0.737 nan 8.190 nan 0.000 0.447 174 N N 1.430 120.146 118.700 0.027 0.000 2.452 174 N HA -0.044 4.696 4.740 0.001 0.000 0.266 174 N C 0.721 176.275 175.510 0.074 0.000 1.175 174 N CA 0.711 53.789 53.050 0.047 0.000 0.945 174 N CB 1.044 39.559 38.487 0.046 0.000 1.063 174 N HN 0.482 nan 8.380 nan 0.000 0.472 175 T N 0.218 114.823 114.554 0.085 0.000 3.273 175 T HA 0.111 4.461 4.350 0.001 0.000 0.254 175 T C 0.529 175.335 174.700 0.177 0.000 1.002 175 T CA -0.414 61.765 62.100 0.132 0.000 0.913 175 T CB 0.165 69.092 68.868 0.098 0.000 1.056 175 T HN 0.347 nan 8.240 nan 0.000 0.576 176 D N 1.127 121.622 120.400 0.159 0.000 2.078 176 D HA -0.075 4.565 4.640 0.001 0.000 0.193 176 D C 1.378 177.819 176.300 0.236 0.000 0.990 176 D CA 1.131 55.228 54.000 0.161 0.000 0.827 176 D CB -0.384 40.495 40.800 0.130 0.000 0.975 176 D HN 0.442 nan 8.370 nan 0.000 0.451 177 Y N 0.202 120.585 120.300 0.139 0.000 2.224 177 Y HA -0.176 4.374 4.550 0.000 0.000 0.289 177 Y C 2.137 178.191 175.900 0.257 0.000 1.146 177 Y CA 0.912 59.124 58.100 0.187 0.000 1.182 177 Y CB -0.591 37.958 38.460 0.148 0.000 0.983 177 Y HN -0.046 nan 8.280 nan 0.000 0.524 178 F N -0.182 119.816 119.950 0.080 0.000 2.126 178 F HA -0.224 4.304 4.527 0.000 0.000 0.299 178 F C 2.382 178.101 175.800 -0.135 0.000 1.096 178 F CA 2.005 59.944 58.000 -0.101 0.000 1.255 178 F CB -0.627 38.279 39.000 -0.157 0.000 0.997 178 F HN -0.088 nan 8.300 nan 0.000 0.479 179 S N -0.637 115.035 115.700 -0.046 0.000 2.368 179 S HA -0.209 4.261 4.470 0.001 0.000 0.224 179 S C 1.725 176.282 174.600 -0.072 0.000 1.029 179 S CA 1.161 59.290 58.200 -0.117 0.000 0.988 179 S CB -0.818 62.384 63.200 0.004 0.000 0.838 179 S HN 0.675 nan 8.310 nan 0.000 0.462 180 Y N 2.395 122.611 120.300 -0.140 0.000 2.097 180 Y HA -0.212 4.338 4.550 0.000 0.000 0.282 180 Y C 2.332 178.118 175.900 -0.190 0.000 1.152 180 Y CA 1.799 59.807 58.100 -0.153 0.000 1.136 180 Y CB -0.711 37.637 38.460 -0.188 0.000 0.975 180 Y HN 0.232 nan 8.280 nan 0.000 0.498 181 Q N -1.193 118.313 119.800 -0.489 0.000 2.061 181 Q HA -0.277 4.063 4.340 0.001 0.000 0.204 181 Q C 2.189 178.070 176.000 -0.199 0.000 0.984 181 Q CA 2.140 57.682 55.803 -0.434 0.000 0.846 181 Q CB -0.683 27.992 28.738 -0.106 0.000 0.902 181 Q HN 0.714 nan 8.270 nan 0.000 0.421 182 Y N 1.220 121.351 120.300 -0.282 0.000 2.224 182 Y HA -0.224 4.326 4.550 0.001 0.000 0.289 182 Y C 2.280 178.136 175.900 -0.074 0.000 1.146 182 Y CA 1.796 59.810 58.100 -0.143 0.000 1.182 182 Y CB -0.150 38.026 38.460 -0.473 0.000 0.983 182 Y HN 0.004 nan 8.280 nan 0.000 0.524 183 T N 0.481 114.989 114.554 -0.076 0.000 2.812 183 T HA -0.112 4.238 4.350 0.001 0.000 0.264 183 T C 1.950 176.524 174.700 -0.209 0.000 1.042 183 T CA 0.971 63.008 62.100 -0.105 0.000 1.140 183 T CB -0.153 68.681 68.868 -0.057 0.000 0.870 183 T HN 0.101 nan 8.240 nan 0.000 0.445 184 R N 0.602 120.890 120.500 -0.353 0.000 2.091 184 R HA 0.005 4.345 4.340 0.001 0.000 0.238 184 R C 2.064 178.221 176.300 -0.238 0.000 1.136 184 R CA 1.031 56.904 56.100 -0.379 0.000 0.959 184 R CB -1.196 28.747 30.300 -0.595 0.000 0.856 184 R HN 0.376 nan 8.270 nan 0.000 0.437 185 F N 1.276 120.982 119.950 -0.406 0.000 2.069 185 F HA -0.159 4.368 4.527 0.000 0.000 0.298 185 F C 2.111 177.666 175.800 -0.407 0.000 1.113 185 F CA 1.363 59.114 58.000 -0.414 0.000 1.214 185 F CB -0.713 38.040 39.000 -0.412 0.000 0.978 185 F HN -0.059 nan 8.300 nan 0.000 0.474 186 L N -0.747 120.233 121.223 -0.405 0.000 2.127 186 L HA -0.278 4.063 4.340 0.001 0.000 0.211 186 L C 2.716 179.365 176.870 -0.368 0.000 1.089 186 L CA 1.695 56.285 54.840 -0.417 0.000 0.757 186 L CB -1.077 40.833 42.059 -0.249 0.000 0.899 186 L HN 0.319 nan 8.230 nan 0.000 0.434 187 H N 0.439 119.265 119.070 -0.408 0.000 2.333 187 H HA -0.098 4.458 4.556 0.000 0.000 0.302 187 H C 2.250 177.133 175.328 -0.742 0.000 1.075 187 H CA 1.626 57.422 56.048 -0.420 0.000 1.348 187 H CB 0.137 29.704 29.762 -0.324 0.000 1.393 187 H HN 0.281 nan 8.280 nan 0.000 0.509 188 M N 0.163 119.283 119.600 -0.800 0.000 2.254 188 M HA -0.093 4.388 4.480 0.001 0.000 0.265 188 M C 2.617 178.370 176.300 -0.913 0.000 1.066 188 M CA 0.766 55.219 55.300 -1.412 0.000 1.123 188 M CB -0.031 31.968 32.600 -1.002 0.000 1.388 188 M HN 0.167 nan 8.290 nan 0.000 0.425 189 L N -0.056 120.741 121.223 -0.711 0.000 2.187 189 L HA -0.212 4.128 4.340 0.001 0.000 0.213 189 L C 2.189 178.841 176.870 -0.365 0.000 1.100 189 L CA 0.859 55.363 54.840 -0.560 0.000 0.765 189 L CB -0.479 41.160 42.059 -0.701 0.000 0.904 189 L HN 0.238 nan 8.230 nan 0.000 0.437 190 E N -0.762 119.192 120.200 -0.410 0.000 2.268 190 E HA -0.192 4.158 4.350 0.001 0.000 0.195 190 E C 1.722 178.308 176.600 -0.022 0.000 0.995 190 E CA 0.786 57.047 56.400 -0.233 0.000 0.836 190 E CB -0.144 29.380 29.700 -0.293 0.000 0.763 190 E HN 0.414 nan 8.360 nan 0.000 0.491 191 W N 0.322 121.522 121.300 -0.167 0.000 2.525 191 W HA 0.067 4.727 4.660 0.001 0.000 0.259 191 W C 0.199 176.665 176.519 -0.089 0.000 1.253 191 W CA 0.099 57.376 57.345 -0.113 0.000 1.262 191 W CB -0.784 28.624 29.460 -0.087 0.000 1.122 191 W HN -0.011 nan 8.180 nan 0.000 0.607 192 L N 3.186 124.468 121.223 0.099 0.000 2.331 192 L HA 0.083 4.423 4.340 0.001 0.000 0.278 192 L C -0.318 176.564 176.870 0.019 0.000 1.106 192 L CA -1.507 53.358 54.840 0.041 0.000 0.824 192 L CB 0.788 42.837 42.059 -0.018 0.000 1.142 192 L HN -0.325 nan 8.230 nan 0.000 0.443 193 P HA -0.104 nan 4.420 nan 0.000 0.216 193 P C 0.094 177.397 177.300 0.004 0.000 1.150 193 P CA 0.916 64.024 63.100 0.014 0.000 0.837 193 P CB 0.225 31.935 31.700 0.017 0.000 0.786 194 S N -2.176 113.525 115.700 0.002 0.000 2.541 194 S HA 0.456 4.926 4.470 0.001 0.000 0.271 194 S C -0.637 173.955 174.600 -0.014 0.000 1.133 194 S CA -1.096 57.102 58.200 -0.003 0.000 0.876 194 S CB 2.123 65.329 63.200 0.008 0.000 1.105 194 S HN -0.129 nan 8.310 nan 0.000 0.470 195 R N 1.604 122.091 120.500 -0.022 0.000 2.370 195 R HA 0.367 4.707 4.340 0.001 0.000 0.309 195 R C -2.352 173.941 176.300 -0.013 0.000 1.059 195 R CA -1.416 54.663 56.100 -0.036 0.000 0.981 195 R CB -0.001 30.277 30.300 -0.037 0.000 0.972 195 R HN 0.491 nan 8.270 nan 0.000 0.437 196 P HA 0.041 nan 4.420 nan 0.000 0.270 196 P C -1.993 175.314 177.300 0.011 0.000 1.223 196 P CA -1.094 62.005 63.100 -0.003 0.000 0.785 196 P CB 0.384 32.072 31.700 -0.021 0.000 0.923 197 P HA -0.060 nan 4.420 nan 0.000 0.222 197 P C -0.060 177.270 177.300 0.050 0.000 1.147 197 P CA 1.374 64.497 63.100 0.037 0.000 0.790 197 P CB 0.392 32.112 31.700 0.034 0.000 0.780 198 L N 0.303 121.548 121.223 0.037 0.000 2.353 198 L HA 0.336 4.677 4.340 0.001 0.000 0.270 198 L C -0.584 176.407 176.870 0.203 0.000 1.003 198 L CA -0.812 54.087 54.840 0.100 0.000 0.862 198 L CB 2.397 44.492 42.059 0.059 0.000 1.221 198 L HN -0.356 nan 8.230 nan 0.000 0.430 199 V N 2.782 122.821 119.914 0.210 0.000 2.398 199 V HA 0.472 4.592 4.120 0.001 0.000 0.286 199 V C -0.488 175.811 176.094 0.341 0.000 1.026 199 V CA -0.520 61.867 62.300 0.143 0.000 0.868 199 V CB 1.387 33.109 31.823 -0.168 0.000 0.982 199 V HN 0.838 nan 8.190 nan 0.000 0.443 200 H N 1.489 120.677 119.070 0.196 0.000 2.980 200 H HA 0.734 5.291 4.556 0.000 0.000 0.367 200 H C 0.214 175.655 175.328 0.188 0.000 1.206 200 H CA -0.392 55.800 56.048 0.241 0.000 1.126 200 H CB 1.704 31.562 29.762 0.161 0.000 1.838 200 H HN 0.631 nan 8.280 nan 0.000 0.552 201 C N -0.768 118.691 119.300 0.264 0.000 5.133 201 C HA 0.728 5.189 4.460 0.001 0.000 0.475 201 C C 0.888 175.989 174.990 0.185 0.000 1.286 201 C CA 0.192 59.182 59.018 -0.046 0.000 2.394 201 C CB -0.478 27.070 27.740 -0.321 0.000 3.130 201 C HN 1.038 nan 8.230 nan 0.000 0.490 202 A N 3.485 126.580 122.820 0.457 0.000 2.401 202 A HA 0.625 4.946 4.320 0.001 0.000 0.259 202 A C 0.317 178.160 177.584 0.433 0.000 1.103 202 A CA 0.346 52.707 52.037 0.540 0.000 0.789 202 A CB 0.277 19.575 19.000 0.497 0.000 1.035 202 A HN 0.813 nan 8.150 nan 0.000 0.491 203 N N 1.293 120.259 118.700 0.444 0.000 2.823 203 N HA 0.298 5.039 4.740 0.001 0.000 0.324 203 N C 0.920 176.647 175.510 0.362 0.000 1.336 203 N CA -0.082 53.208 53.050 0.400 0.000 0.861 203 N CB -0.397 38.348 38.487 0.430 0.000 1.157 203 N HN 0.296 nan 8.380 nan 0.000 0.585 204 S N -0.169 115.719 115.700 0.314 0.000 2.365 204 S HA -0.152 4.318 4.470 0.001 0.000 0.221 204 S C 1.961 176.688 174.600 0.211 0.000 1.037 204 S CA 1.924 60.298 58.200 0.290 0.000 1.060 204 S CB -1.025 62.211 63.200 0.060 0.000 0.974 204 S HN 0.734 nan 8.310 nan 0.000 0.427 205 A N 1.648 124.553 122.820 0.142 0.000 1.873 205 A HA -0.063 4.257 4.320 0.001 0.000 0.218 205 A C 2.386 179.956 177.584 -0.024 0.000 1.193 205 A CA 2.178 54.235 52.037 0.034 0.000 0.629 205 A CB -1.321 17.699 19.000 0.034 0.000 0.826 205 A HN 0.570 nan 8.150 nan 0.000 0.447 206 A N 0.008 122.887 122.820 0.099 0.000 1.902 206 A HA -0.080 4.241 4.320 0.001 0.000 0.217 206 A C 2.496 180.180 177.584 0.166 0.000 1.181 206 A CA 2.426 54.553 52.037 0.149 0.000 0.623 206 A CB -0.943 18.333 19.000 0.461 0.000 0.818 206 A HN 1.044 nan 8.150 nan 0.000 0.443 207 S N -0.384 115.435 115.700 0.199 0.000 2.428 207 S HA 0.036 4.506 4.470 0.001 0.000 0.230 207 S C 1.763 176.387 174.600 0.041 0.000 1.014 207 S CA 1.190 59.485 58.200 0.158 0.000 0.957 207 S CB -0.493 62.815 63.200 0.181 0.000 0.784 207 S HN 0.420 nan 8.310 nan 0.000 0.499 208 L N 0.273 121.493 121.223 -0.004 0.000 2.209 208 L HA 0.179 4.520 4.340 0.001 0.000 0.207 208 L C 3.029 179.772 176.870 -0.211 0.000 1.094 208 L CA 0.732 55.521 54.840 -0.085 0.000 0.790 208 L CB -0.189 41.813 42.059 -0.095 0.000 0.932 208 L HN 0.237 nan 8.230 nan 0.000 0.447 209 R N -0.562 119.710 120.500 -0.380 0.000 2.090 209 R HA 0.049 4.390 4.340 0.001 0.000 0.219 209 R C -0.062 175.703 176.300 -0.892 0.000 1.100 209 R CA 0.831 56.457 56.100 -0.789 0.000 0.991 209 R CB 0.219 29.739 30.300 -1.300 0.000 0.893 209 R HN 0.116 nan 8.270 nan 0.000 0.443 210 F N 0.770 120.683 119.950 -0.061 0.000 2.523 210 F HA 0.337 4.864 4.527 0.000 0.000 0.322 210 F C -1.843 173.965 175.800 0.013 0.000 1.361 210 F CA -2.592 55.387 58.000 -0.035 0.000 1.151 210 F CB 1.346 40.320 39.000 -0.042 0.000 1.391 210 F HN -0.136 nan 8.300 nan 0.000 0.566 211 P HA -0.177 nan 4.420 nan 0.000 0.225 211 P C 0.916 178.265 177.300 0.082 0.000 1.148 211 P CA 1.425 64.573 63.100 0.081 0.000 0.779 211 P CB 0.200 31.918 31.700 0.030 0.000 0.780 212 D N -0.744 119.707 120.400 0.084 0.000 2.355 212 D HA -0.070 4.570 4.640 0.001 0.000 0.218 212 D C 0.920 177.224 176.300 0.007 0.000 1.004 212 D CA 0.213 54.236 54.000 0.038 0.000 0.880 212 D CB -0.028 40.790 40.800 0.029 0.000 0.911 212 D HN 0.092 nan 8.370 nan 0.000 0.528 213 R N 1.051 121.589 120.500 0.062 0.000 2.700 213 R HA 0.137 4.477 4.340 0.001 0.000 0.377 213 R C 0.982 177.386 176.300 0.174 0.000 1.130 213 R CA 0.142 56.260 56.100 0.030 0.000 1.055 213 R CB 0.300 30.576 30.300 -0.041 0.000 1.387 213 R HN 0.257 nan 8.270 nan 0.000 0.580 214 T N -3.175 111.470 114.554 0.151 0.000 3.044 214 T HA 0.196 4.546 4.350 0.001 0.000 0.250 214 T C 0.792 175.761 174.700 0.449 0.000 1.081 214 T CA -0.054 62.241 62.100 0.325 0.000 1.040 214 T CB -0.116 68.904 68.868 0.254 0.000 0.962 214 T HN 0.161 nan 8.240 nan 0.000 0.506 215 F N 1.950 122.045 119.950 0.242 0.000 2.183 215 F HA -0.326 4.201 4.527 0.001 0.000 0.318 215 F C 1.183 177.091 175.800 0.180 0.000 0.714 215 F CA 1.323 59.448 58.000 0.208 0.000 0.912 215 F CB -1.232 37.918 39.000 0.250 0.000 4.135 215 F HN 0.182 nan 8.300 nan 0.000 0.137 216 N N 0.163 119.128 118.700 0.442 0.000 2.373 216 N HA 0.276 5.017 4.740 0.001 0.000 0.181 216 N C -0.176 175.516 175.510 0.303 0.000 1.082 216 N CA 0.872 54.111 53.050 0.315 0.000 0.885 216 N CB 0.724 39.380 38.487 0.282 0.000 0.977 216 N HN 0.418 nan 8.380 nan 0.000 0.462 217 M N 0.785 120.561 119.600 0.294 0.000 2.414 217 M HA 0.326 4.807 4.480 0.001 0.000 0.287 217 M C -2.061 174.373 176.300 0.223 0.000 1.181 217 M CA -0.920 54.503 55.300 0.205 0.000 0.933 217 M CB 1.897 34.522 32.600 0.042 0.000 1.732 217 M HN -0.124 nan 8.290 nan 0.000 0.486 218 V N 1.522 121.535 119.914 0.166 0.000 2.715 218 V HA 0.725 4.846 4.120 0.001 0.000 0.310 218 V C -0.994 175.198 176.094 0.164 0.000 1.054 218 V CA -0.750 61.672 62.300 0.203 0.000 0.928 218 V CB 2.020 33.952 31.823 0.182 0.000 1.007 218 V HN 0.980 nan 8.190 nan 0.000 0.437 219 R N 3.504 124.135 120.500 0.219 0.000 2.278 219 R HA 0.430 4.770 4.340 0.001 0.000 0.322 219 R C -1.345 175.125 176.300 0.284 0.000 1.058 219 R CA -0.349 55.865 56.100 0.190 0.000 0.991 219 R CB 1.068 31.469 30.300 0.169 0.000 1.140 219 R HN 0.729 nan 8.270 nan 0.000 0.518 220 F N 2.467 122.445 119.950 0.045 0.000 2.413 220 F HA 0.353 4.880 4.527 0.000 0.000 0.359 220 F C 0.715 176.495 175.800 -0.033 0.000 1.122 220 F CA -0.256 57.752 58.000 0.013 0.000 1.160 220 F CB 0.888 39.868 39.000 -0.033 0.000 1.146 220 F HN 0.551 nan 8.300 nan 0.000 0.514 221 G N 4.934 113.584 108.800 -0.250 0.000 2.727 221 G HA2 -0.003 3.957 3.960 0.001 0.000 0.212 221 G HA3 -0.003 3.957 3.960 0.001 0.000 0.212 221 G C 1.090 175.670 174.900 -0.533 0.000 2.076 221 G CA 0.179 45.098 45.100 -0.301 0.000 0.744 221 G HN 0.555 nan 8.290 nan 0.000 0.775 222 I N 1.983 122.381 120.570 -0.286 0.000 2.181 222 I HA -0.221 3.950 4.170 0.001 0.000 0.247 222 I C 2.856 178.754 176.117 -0.364 0.000 1.081 222 I CA 2.060 63.183 61.300 -0.295 0.000 1.340 222 I CB -0.179 37.527 38.000 -0.490 0.000 1.036 222 I HN 0.252 nan 8.210 nan 0.000 0.417 223 A N -0.446 122.037 122.820 -0.562 0.000 2.067 223 A HA -0.210 4.110 4.320 0.001 0.000 0.219 223 A C 2.400 179.605 177.584 -0.631 0.000 1.158 223 A CA 1.617 53.340 52.037 -0.523 0.000 0.661 223 A CB -0.793 17.978 19.000 -0.383 0.000 0.801 223 A HN 0.622 nan 8.150 nan 0.000 0.452 224 M N -1.471 117.461 119.600 -1.114 0.000 2.229 224 M HA -0.123 4.357 4.480 0.001 0.000 0.264 224 M C 0.900 176.786 176.300 -0.691 0.000 1.063 224 M CA 1.578 56.388 55.300 -0.817 0.000 1.114 224 M CB -0.132 31.863 32.600 -1.009 0.000 1.387 224 M HN 0.480 nan 8.290 nan 0.000 0.420 225 Y N -0.015 120.049 120.300 -0.394 0.000 2.471 225 Y HA 0.358 4.908 4.550 0.000 0.000 0.286 225 Y C 1.487 177.308 175.900 -0.132 0.000 1.188 225 Y CA 0.353 58.255 58.100 -0.330 0.000 1.286 225 Y CB -0.355 37.770 38.460 -0.558 0.000 1.072 225 Y HN 0.474 nan 8.280 nan 0.000 0.517 226 G N 0.630 109.408 108.800 -0.038 0.000 2.147 226 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 226 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 226 G C -0.365 174.541 174.900 0.010 0.000 1.005 226 G CA -0.084 45.028 45.100 0.021 0.000 0.713 226 G HN 0.291 nan 8.290 nan 0.000 0.515 227 L N 0.185 121.383 121.223 -0.042 0.000 2.346 227 L HA 0.791 5.132 4.340 0.001 0.000 0.276 227 L C 0.810 177.617 176.870 -0.105 0.000 1.006 227 L CA -0.760 54.043 54.840 -0.062 0.000 0.817 227 L CB 2.009 44.014 42.059 -0.090 0.000 1.272 227 L HN 0.278 nan 8.230 nan 0.000 0.421 228 A N 3.779 126.557 122.820 -0.070 0.000 2.450 228 A HA 0.400 4.720 4.320 0.001 0.000 0.255 228 A C -1.701 175.856 177.584 -0.045 0.000 1.096 228 A CA -1.104 50.896 52.037 -0.062 0.000 0.778 228 A CB 0.109 19.087 19.000 -0.037 0.000 1.031 228 A HN 0.625 nan 8.150 nan 0.000 0.494 229 P HA -0.111 nan 4.420 nan 0.000 0.217 229 P C 0.318 177.708 177.300 0.150 0.000 1.148 229 P CA 2.071 65.229 63.100 0.096 0.000 0.834 229 P CB 0.086 31.845 31.700 0.099 0.000 0.783 230 S N -6.014 109.726 115.700 0.067 0.000 2.578 230 S HA 0.392 4.862 4.470 0.001 0.000 0.272 230 S C -2.761 171.852 174.600 0.022 0.000 1.145 230 S CA -1.212 57.024 58.200 0.060 0.000 0.835 230 S CB 1.333 64.566 63.200 0.056 0.000 1.104 230 S HN -0.283 nan 8.310 nan 0.000 0.458 231 P HA 0.138 nan 4.420 nan 0.000 0.221 231 P C 1.663 178.961 177.300 -0.002 0.000 1.150 231 P CA 1.489 64.594 63.100 0.009 0.000 0.800 231 P CB -0.391 31.318 31.700 0.015 0.000 0.787 232 G N 1.093 109.892 108.800 -0.001 0.000 2.422 232 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 232 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 232 G C 1.341 176.225 174.900 -0.027 0.000 1.146 232 G CA 0.784 45.877 45.100 -0.010 0.000 0.769 232 G HN 0.450 nan 8.290 nan 0.000 0.547 233 I N -2.912 117.637 120.570 -0.036 0.000 3.793 233 I HA 0.308 4.478 4.170 0.001 0.000 0.315 233 I C 2.042 178.118 176.117 -0.068 0.000 1.275 233 I CA -0.018 61.243 61.300 -0.065 0.000 1.214 233 I CB 0.122 38.069 38.000 -0.089 0.000 1.018 233 I HN -0.115 nan 8.210 nan 0.000 0.439 234 K N 2.312 122.684 120.400 -0.046 0.000 2.034 234 K HA -0.124 4.196 4.320 0.001 0.000 0.214 234 K C -0.379 176.190 176.600 -0.053 0.000 1.051 234 K CA 2.165 58.425 56.287 -0.046 0.000 0.931 234 K CB -1.482 31.004 32.500 -0.024 0.000 0.715 234 K HN 0.412 nan 8.250 nan 0.000 0.446 235 P HA -0.067 nan 4.420 nan 0.000 0.239 235 P C 0.789 178.055 177.300 -0.057 0.000 1.184 235 P CA 1.044 64.119 63.100 -0.041 0.000 0.760 235 P CB -0.030 31.653 31.700 -0.029 0.000 0.884 236 L N -1.869 119.306 121.223 -0.081 0.000 2.766 236 L HA 0.193 4.533 4.340 0.001 0.000 0.242 236 L C 0.472 177.260 176.870 -0.136 0.000 1.136 236 L CA -0.563 54.214 54.840 -0.106 0.000 0.933 236 L CB -0.131 41.851 42.059 -0.128 0.000 1.241 236 L HN -0.135 nan 8.230 nan 0.000 0.522 237 L N 2.504 123.645 121.223 -0.136 0.000 2.455 237 L HA 0.133 4.473 4.340 0.001 0.000 0.272 237 L C -0.646 176.124 176.870 -0.167 0.000 1.174 237 L CA -1.291 53.437 54.840 -0.186 0.000 0.869 237 L CB 0.044 41.981 42.059 -0.204 0.000 1.130 237 L HN -0.089 nan 8.230 nan 0.000 0.474 238 P HA -0.129 nan 4.420 nan 0.000 0.218 238 P C -0.644 176.689 177.300 0.055 0.000 1.149 238 P CA 1.352 64.419 63.100 -0.055 0.000 0.817 238 P CB 0.085 31.787 31.700 0.003 0.000 0.785 239 Y N -3.196 117.093 120.300 -0.019 0.000 2.571 239 Y HA 0.757 5.307 4.550 0.000 0.000 0.341 239 Y C -3.103 172.798 175.900 0.002 0.000 1.076 239 Y CA -3.841 54.253 58.100 -0.009 0.000 1.029 239 Y CB -0.556 37.898 38.460 -0.011 0.000 1.308 239 Y HN -0.350 nan 8.280 nan 0.000 0.461 240 P HA 0.244 nan 4.420 nan 0.000 0.271 240 P C -0.795 176.610 177.300 0.176 0.000 1.220 240 P CA 0.026 63.194 63.100 0.112 0.000 0.768 240 P CB 0.730 32.488 31.700 0.097 0.000 0.848 241 L N 3.474 124.744 121.223 0.078 0.000 2.350 241 L HA 0.321 4.661 4.340 0.001 0.000 0.275 241 L C 0.890 177.818 176.870 0.096 0.000 1.099 241 L CA -0.422 54.478 54.840 0.101 0.000 0.808 241 L CB 0.585 42.654 42.059 0.017 0.000 1.149 241 L HN 0.213 nan 8.230 nan 0.000 0.442 242 K N 2.917 123.383 120.400 0.111 0.000 2.316 242 K HA 0.234 4.554 4.320 0.001 0.000 0.267 242 K C -0.540 176.117 176.600 0.095 0.000 1.025 242 K CA -0.557 55.786 56.287 0.094 0.000 0.896 242 K CB 1.546 34.105 32.500 0.097 0.000 1.124 242 K HN 0.461 nan 8.250 nan 0.000 0.451 243 E N 1.745 122.001 120.200 0.094 0.000 2.465 243 E HA -0.051 4.299 4.350 0.001 0.000 0.260 243 E C 0.368 177.060 176.600 0.154 0.000 0.980 243 E CA 0.045 56.519 56.400 0.124 0.000 0.927 243 E CB 0.726 30.493 29.700 0.112 0.000 0.934 243 E HN 0.713 nan 8.360 nan 0.000 0.459 244 A N 5.199 128.158 122.820 0.232 0.000 2.140 244 A HA 0.117 4.437 4.320 0.001 0.000 0.209 244 A C 0.155 177.924 177.584 0.308 0.000 1.181 244 A CA -0.178 52.020 52.037 0.268 0.000 0.824 244 A CB 0.248 19.438 19.000 0.316 0.000 0.879 244 A HN 0.608 nan 8.150 nan 0.000 0.480 245 F N 1.665 121.725 119.950 0.183 0.000 2.408 245 F HA 0.523 5.050 4.527 0.000 0.000 0.344 245 F C 0.403 176.189 175.800 -0.022 0.000 1.112 245 F CA 0.028 58.054 58.000 0.043 0.000 1.096 245 F CB 1.406 40.379 39.000 -0.044 0.000 1.129 245 F HN 0.099 nan 8.300 nan 0.000 0.486 246 S N 6.220 121.642 115.700 -0.462 0.000 2.564 246 S HA 0.769 5.239 4.470 0.001 0.000 0.274 246 S C -1.904 172.232 174.600 -0.773 0.000 1.124 246 S CA -0.872 57.090 58.200 -0.396 0.000 0.869 246 S CB 1.929 65.025 63.200 -0.174 0.000 1.105 246 S HN 0.755 nan 8.310 nan 0.000 0.472 247 L N 2.708 123.407 121.223 -0.872 0.000 2.410 247 L HA 0.691 5.031 4.340 0.001 0.000 0.270 247 L C -1.149 174.974 176.870 -1.245 0.000 0.983 247 L CA -0.050 54.257 54.840 -0.889 0.000 0.822 247 L CB 1.578 43.370 42.059 -0.446 0.000 1.285 247 L HN 0.997 nan 8.230 nan 0.000 0.409 248 H N 2.258 120.806 119.070 -0.870 0.000 2.946 248 H HA 0.771 5.328 4.556 0.000 0.000 0.365 248 H C -1.099 173.603 175.328 -1.042 0.000 1.197 248 H CA -0.854 54.605 56.048 -0.982 0.000 1.131 248 H CB 2.199 31.239 29.762 -1.204 0.000 1.849 248 H HN 0.596 nan 8.280 nan 0.000 0.555 249 S N -0.309 115.055 115.700 -0.561 0.000 2.790 249 S HA 0.632 5.102 4.470 0.001 0.000 0.292 249 S C -1.319 173.246 174.600 -0.059 0.000 1.197 249 S CA -0.759 57.274 58.200 -0.279 0.000 0.851 249 S CB 2.056 65.115 63.200 -0.235 0.000 1.217 249 S HN 0.637 nan 8.310 nan 0.000 0.526 250 R N 0.452 120.983 120.500 0.051 0.000 2.740 250 R HA 0.500 4.840 4.340 0.001 0.000 0.273 250 R C -1.279 175.050 176.300 0.049 0.000 0.998 250 R CA -0.789 55.362 56.100 0.086 0.000 0.900 250 R CB 1.295 31.696 30.300 0.168 0.000 1.223 250 R HN 0.523 nan 8.270 nan 0.000 0.466 251 L N 2.571 123.819 121.223 0.041 0.000 2.410 251 L HA 0.089 4.429 4.340 0.001 0.000 0.273 251 L C 1.337 178.246 176.870 0.066 0.000 1.144 251 L CA -0.082 54.783 54.840 0.042 0.000 0.863 251 L CB 0.975 43.053 42.059 0.032 0.000 1.140 251 L HN 0.617 nan 8.230 nan 0.000 0.463 252 V N -1.270 118.693 119.914 0.082 0.000 3.605 252 V HA 0.291 4.411 4.120 0.001 0.000 0.284 252 V C 0.007 176.200 176.094 0.165 0.000 1.386 252 V CA 0.065 62.422 62.300 0.096 0.000 1.053 252 V CB -0.140 31.726 31.823 0.072 0.000 0.857 252 V HN 0.826 nan 8.190 nan 0.000 0.436 253 H N -0.655 118.433 119.070 0.031 0.000 3.079 253 H HA 0.786 5.342 4.556 0.001 0.000 0.356 253 H C -1.781 173.585 175.328 0.063 0.000 1.221 253 H CA -0.651 55.422 56.048 0.042 0.000 1.185 253 H CB 2.270 32.050 29.762 0.031 0.000 1.882 253 H HN -0.016 nan 8.280 nan 0.000 0.543 254 V N 5.019 124.807 119.914 -0.210 0.000 2.668 254 V HA 0.478 4.598 4.120 0.001 0.000 0.304 254 V C -0.896 175.098 176.094 -0.168 0.000 1.071 254 V CA -0.802 61.435 62.300 -0.104 0.000 0.894 254 V CB 1.844 33.703 31.823 0.061 0.000 1.008 254 V HN 0.874 nan 8.190 nan 0.000 0.425 255 K N 2.617 122.977 120.400 -0.068 0.000 2.548 255 K HA 0.732 5.053 4.320 0.001 0.000 0.282 255 K C -1.374 175.017 176.600 -0.348 0.000 1.006 255 K CA -1.196 55.014 56.287 -0.129 0.000 0.892 255 K CB 2.830 35.169 32.500 -0.270 0.000 1.499 255 K HN 0.400 nan 8.250 nan 0.000 0.433 256 K N 2.077 122.041 120.400 -0.727 0.000 2.265 256 K HA 0.358 4.678 4.320 0.001 0.000 0.267 256 K C -0.989 175.307 176.600 -0.507 0.000 0.994 256 K CA -0.689 54.951 56.287 -1.077 0.000 0.860 256 K CB 0.931 32.527 32.500 -1.508 0.000 1.099 256 K HN 0.562 nan 8.250 nan 0.000 0.448 257 L N 3.430 124.432 121.223 -0.368 0.000 2.357 257 L HA 0.301 4.641 4.340 0.001 0.000 0.273 257 L C 0.174 176.942 176.870 -0.170 0.000 1.080 257 L CA -0.866 53.859 54.840 -0.191 0.000 0.803 257 L CB 1.617 43.625 42.059 -0.086 0.000 1.174 257 L HN 0.615 nan 8.230 nan 0.000 0.443 258 Q N 2.078 121.810 119.800 -0.114 0.000 2.214 258 Q HA 0.385 4.726 4.340 0.001 0.000 0.251 258 Q C -2.259 173.704 176.000 -0.063 0.000 0.936 258 Q CA -2.219 53.531 55.803 -0.089 0.000 0.894 258 Q CB 1.225 29.920 28.738 -0.071 0.000 1.252 258 Q HN 0.238 nan 8.270 nan 0.000 0.448 259 P HA 0.056 nan 4.420 nan 0.000 0.262 259 P C 0.446 177.718 177.300 -0.046 0.000 1.182 259 P CA 1.150 64.221 63.100 -0.047 0.000 0.761 259 P CB 0.406 32.083 31.700 -0.039 0.000 0.795 260 G N 1.896 110.664 108.800 -0.054 0.000 2.232 260 G HA2 -0.196 3.764 3.960 0.001 0.000 0.226 260 G HA3 -0.196 3.764 3.960 0.001 0.000 0.226 260 G C 0.047 174.922 174.900 -0.041 0.000 0.996 260 G CA -0.436 44.635 45.100 -0.050 0.000 0.626 260 G HN 0.541 nan 8.290 nan 0.000 0.509 261 E N 1.118 121.298 120.200 -0.033 0.000 2.360 261 E HA 0.447 4.797 4.350 0.001 0.000 0.269 261 E C 0.072 176.676 176.600 0.007 0.000 1.022 261 E CA 0.179 56.571 56.400 -0.013 0.000 0.887 261 E CB 0.724 30.415 29.700 -0.014 0.000 0.990 261 E HN 0.239 nan 8.360 nan 0.000 0.426 262 K N 0.836 121.250 120.400 0.023 0.000 2.095 262 K HA 0.475 4.795 4.320 0.001 0.000 0.252 262 K C -0.910 175.749 176.600 0.097 0.000 0.977 262 K CA -0.537 55.784 56.287 0.057 0.000 0.900 262 K CB 1.547 34.069 32.500 0.037 0.000 1.060 262 K HN 0.149 nan 8.250 nan 0.000 0.449 263 V N 1.122 121.132 119.914 0.161 0.000 2.686 263 V HA 0.499 4.619 4.120 0.001 0.000 0.306 263 V C -0.334 175.800 176.094 0.066 0.000 1.065 263 V CA -0.742 61.625 62.300 0.112 0.000 0.894 263 V CB 1.516 33.416 31.823 0.128 0.000 1.004 263 V HN 0.948 nan 8.190 nan 0.000 0.424 264 S N 2.549 118.231 115.700 -0.030 0.000 3.849 264 S HA -0.196 4.275 4.470 0.001 0.000 0.654 264 S C -0.419 174.145 174.600 -0.060 0.000 1.808 264 S CA 0.024 58.156 58.200 -0.114 0.000 1.951 264 S CB -0.641 62.534 63.200 -0.041 0.000 0.330 264 S HN 0.712 nan 8.310 nan 0.000 1.627 265 Y N 1.304 121.643 120.300 0.066 0.000 2.811 265 Y HA 0.255 4.805 4.550 0.000 0.000 0.334 265 Y C 1.949 177.884 175.900 0.059 0.000 1.247 265 Y CA 1.104 59.241 58.100 0.062 0.000 1.526 265 Y CB 0.001 38.502 38.460 0.068 0.000 1.284 265 Y HN 1.312 nan 8.280 nan 0.000 0.586 266 G N 1.845 110.790 108.800 0.242 0.000 2.212 266 G HA2 -0.262 3.698 3.960 0.001 0.000 0.266 266 G HA3 -0.262 3.698 3.960 0.001 0.000 0.266 266 G C 0.685 175.652 174.900 0.111 0.000 0.978 266 G CA 0.187 45.374 45.100 0.145 0.000 0.632 266 G HN 1.887 nan 8.290 nan 0.000 0.537 267 A N -1.178 121.709 122.820 0.112 0.000 2.704 267 A HA -0.018 4.302 4.320 0.001 0.000 0.299 267 A C 2.267 179.904 177.584 0.089 0.000 1.507 267 A CA 2.663 54.752 52.037 0.087 0.000 0.776 267 A CB -2.374 16.663 19.000 0.062 0.000 1.027 267 A HN 2.495 nan 8.150 nan 0.000 0.475 268 T N -3.644 110.980 114.554 0.116 0.000 3.035 268 T HA 0.151 4.501 4.350 0.001 0.000 0.268 268 T C 0.481 175.268 174.700 0.144 0.000 1.109 268 T CA 1.400 63.571 62.100 0.118 0.000 1.119 268 T CB -0.126 68.820 68.868 0.130 0.000 0.900 268 T HN 1.174 nan 8.240 nan 0.000 0.503 269 Y N 1.552 121.877 120.300 0.042 0.000 2.341 269 Y HA 0.537 5.088 4.550 0.000 0.000 0.337 269 Y C -0.826 175.088 175.900 0.023 0.000 1.014 269 Y CA -0.814 57.309 58.100 0.038 0.000 1.111 269 Y CB 1.901 40.382 38.460 0.035 0.000 1.194 269 Y HN -0.030 nan 8.280 nan 0.000 0.462 270 T N 5.786 119.918 114.554 -0.703 0.000 2.841 270 T HA 0.621 4.971 4.350 0.001 0.000 0.285 270 T C -0.618 173.715 174.700 -0.611 0.000 0.991 270 T CA -0.583 61.251 62.100 -0.444 0.000 0.966 270 T CB 0.986 69.705 68.868 -0.248 0.000 0.962 270 T HN 0.858 nan 8.240 nan 0.000 0.438 271 A N 2.840 125.509 122.820 -0.253 0.000 2.524 271 A HA 0.233 4.554 4.320 0.001 0.000 0.250 271 A C 1.355 178.866 177.584 -0.122 0.000 1.078 271 A CA -0.101 51.876 52.037 -0.100 0.000 0.761 271 A CB 0.272 19.281 19.000 0.015 0.000 1.012 271 A HN 0.730 nan 8.150 nan 0.000 0.500 272 Q N 0.590 120.334 119.800 -0.092 0.000 2.212 272 Q HA 0.051 4.391 4.340 0.001 0.000 0.199 272 Q C 1.073 177.051 176.000 -0.037 0.000 0.950 272 Q CA 1.756 57.519 55.803 -0.068 0.000 0.863 272 Q CB 0.028 28.738 28.738 -0.046 0.000 0.944 272 Q HN 1.024 nan 8.270 nan 0.000 0.465 273 T N -3.843 110.699 114.554 -0.020 0.000 2.654 273 T HA 0.376 4.726 4.350 0.001 0.000 0.289 273 T C -0.566 174.116 174.700 -0.029 0.000 1.062 273 T CA -0.923 61.166 62.100 -0.018 0.000 1.041 273 T CB 1.333 70.200 68.868 -0.001 0.000 1.417 273 T HN -0.126 nan 8.240 nan 0.000 0.510 274 E N 1.839 122.015 120.200 -0.041 0.000 2.328 274 E HA 0.238 4.589 4.350 0.001 0.000 0.265 274 E C -0.100 176.445 176.600 -0.092 0.000 1.057 274 E CA 0.102 56.447 56.400 -0.092 0.000 0.916 274 E CB 0.275 29.926 29.700 -0.082 0.000 0.993 274 E HN 0.566 nan 8.360 nan 0.000 0.446 275 E N 2.700 122.808 120.200 -0.154 0.000 2.393 275 E HA 0.359 4.709 4.350 0.001 0.000 0.273 275 E C -1.150 175.289 176.600 -0.268 0.000 0.918 275 E CA -1.037 55.308 56.400 -0.092 0.000 0.773 275 E CB 0.900 30.622 29.700 0.037 0.000 1.275 275 E HN 0.248 nan 8.360 nan 0.000 0.451 276 W N 1.619 122.919 121.300 -0.001 0.000 2.316 276 W HA 0.374 5.035 4.660 0.000 0.000 0.308 276 W C -0.575 175.923 176.519 -0.037 0.000 1.106 276 W CA -0.553 56.777 57.345 -0.025 0.000 1.262 276 W CB 0.924 30.368 29.460 -0.028 0.000 1.233 276 W HN 0.288 nan 8.180 nan 0.000 0.447 277 I N 3.689 124.314 120.570 0.091 0.000 2.377 277 I HA 0.492 4.663 4.170 0.001 0.000 0.293 277 I C 0.732 176.865 176.117 0.025 0.000 0.987 277 I CA -0.594 60.721 61.300 0.026 0.000 1.185 277 I CB 0.772 38.750 38.000 -0.037 0.000 1.341 277 I HN 0.508 nan 8.210 nan 0.000 0.455 278 G N 3.997 112.807 108.800 0.016 0.000 2.417 278 G HA2 0.646 4.607 3.960 0.001 0.000 0.334 278 G HA3 0.646 4.607 3.960 0.001 0.000 0.334 278 G C -0.835 174.066 174.900 0.001 0.000 1.150 278 G CA -0.246 44.860 45.100 0.010 0.000 0.923 278 G HN 0.504 nan 8.290 nan 0.000 0.485 279 T N 1.361 115.931 114.554 0.026 0.000 2.807 279 T HA 0.551 4.902 4.350 0.001 0.000 0.279 279 T C 0.064 174.781 174.700 0.029 0.000 0.993 279 T CA -0.180 61.941 62.100 0.036 0.000 0.970 279 T CB 1.084 70.006 68.868 0.090 0.000 0.950 279 T HN 0.620 nan 8.240 nan 0.000 0.441 280 I N 0.696 121.265 120.570 -0.002 0.000 2.569 280 I HA 0.609 4.779 4.170 0.001 0.000 0.296 280 I C -2.581 173.518 176.117 -0.031 0.000 1.028 280 I CA -3.395 57.890 61.300 -0.024 0.000 1.082 280 I CB 2.559 40.514 38.000 -0.075 0.000 1.264 280 I HN 0.243 nan 8.210 nan 0.000 0.429 281 P HA 0.339 nan 4.420 nan 0.000 0.225 281 P C -0.627 176.637 177.300 -0.059 0.000 1.768 281 P CA 0.367 63.455 63.100 -0.021 0.000 0.943 281 P CB -0.098 31.613 31.700 0.018 0.000 1.936 282 I N -0.293 120.224 120.570 -0.088 0.000 2.692 282 I HA 0.717 4.888 4.170 0.001 0.000 0.293 282 I C -0.662 175.428 176.117 -0.045 0.000 1.200 282 I CA -0.576 60.655 61.300 -0.114 0.000 1.036 282 I CB 2.246 40.093 38.000 -0.255 0.000 1.258 282 I HN 0.175 nan 8.210 nan 0.000 0.421 283 G N 3.878 112.674 108.800 -0.007 0.000 3.021 283 G HA2 0.224 4.184 3.960 0.001 0.000 0.290 283 G HA3 0.224 4.184 3.960 0.001 0.000 0.290 283 G C -0.491 174.476 174.900 0.112 0.000 1.291 283 G CA -0.086 45.031 45.100 0.029 0.000 0.834 283 G HN 0.681 nan 8.290 nan 0.000 0.564 284 Y N -1.236 119.146 120.300 0.137 0.000 2.509 284 Y HA 0.370 4.920 4.550 0.000 0.000 0.293 284 Y C 2.355 178.301 175.900 0.077 0.000 1.133 284 Y CA 0.984 59.146 58.100 0.103 0.000 1.283 284 Y CB -0.607 37.890 38.460 0.061 0.000 1.001 284 Y HN 0.336 nan 8.280 nan 0.000 0.555 285 A N 0.326 123.159 122.820 0.022 0.000 2.167 285 A HA -0.041 4.279 4.320 0.001 0.000 0.214 285 A C 1.400 178.998 177.584 0.024 0.000 1.151 285 A CA 1.131 53.207 52.037 0.065 0.000 0.735 285 A CB -0.429 18.557 19.000 -0.024 0.000 0.802 285 A HN 0.487 nan 8.150 nan 0.000 0.467 286 D N -1.412 119.001 120.400 0.023 0.000 2.349 286 D HA 0.241 4.881 4.640 0.001 0.000 0.214 286 D C 1.329 177.674 176.300 0.075 0.000 1.063 286 D CA 1.058 55.054 54.000 -0.006 0.000 0.847 286 D CB 0.575 41.357 40.800 -0.029 0.000 0.933 286 D HN 0.543 nan 8.370 nan 0.000 0.513 287 G N 0.689 109.574 108.800 0.141 0.000 2.179 287 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 287 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 287 G C 0.011 175.043 174.900 0.220 0.000 0.990 287 G CA -0.345 44.843 45.100 0.148 0.000 0.646 287 G HN 0.353 nan 8.290 nan 0.000 0.517 288 W N 3.925 125.236 121.300 0.019 0.000 1.864 288 W HA 0.538 5.198 4.660 0.000 0.000 0.425 288 W C 0.603 177.166 176.519 0.073 0.000 0.791 288 W CA -0.692 56.662 57.345 0.015 0.000 1.650 288 W CB -0.387 29.073 29.460 -0.001 0.000 1.791 288 W HN 0.084 nan 8.180 nan 0.000 0.266 289 L N 3.813 124.993 121.223 -0.071 0.000 2.529 289 L HA -0.093 4.248 4.340 0.001 0.000 0.287 289 L C 1.856 178.662 176.870 -0.106 0.000 1.241 289 L CA 0.389 55.192 54.840 -0.063 0.000 0.857 289 L CB 0.241 42.225 42.059 -0.125 0.000 1.113 289 L HN 0.362 nan 8.230 nan 0.000 0.504 290 R N 1.173 121.642 120.500 -0.052 0.000 2.170 290 R HA -0.190 4.151 4.340 0.001 0.000 0.242 290 R C 2.103 178.358 176.300 -0.076 0.000 1.145 290 R CA 1.359 57.436 56.100 -0.038 0.000 0.984 290 R CB -0.324 29.916 30.300 -0.101 0.000 0.869 290 R HN 0.506 nan 8.270 nan 0.000 0.455 291 R N 1.145 121.582 120.500 -0.105 0.000 2.293 291 R HA -0.073 4.267 4.340 0.001 0.000 0.219 291 R C 1.146 177.433 176.300 -0.021 0.000 1.091 291 R CA 0.836 56.894 56.100 -0.070 0.000 1.004 291 R CB -0.038 30.205 30.300 -0.095 0.000 0.865 291 R HN 0.222 nan 8.270 nan 0.000 0.469 292 L N 0.706 121.824 121.223 -0.175 0.000 2.645 292 L HA 0.051 4.391 4.340 0.001 0.000 0.234 292 L C 2.072 178.869 176.870 -0.121 0.000 1.165 292 L CA 0.053 54.723 54.840 -0.284 0.000 0.944 292 L CB -0.107 41.460 42.059 -0.819 0.000 1.149 292 L HN 0.327 nan 8.230 nan 0.000 0.446 293 Q N 0.243 120.011 119.800 -0.053 0.000 2.248 293 Q HA -0.236 4.105 4.340 0.001 0.000 0.208 293 Q C 0.812 176.699 176.000 -0.188 0.000 0.984 293 Q CA 1.691 57.414 55.803 -0.132 0.000 0.875 293 Q CB 0.065 28.657 28.738 -0.244 0.000 0.910 293 Q HN 0.627 nan 8.270 nan 0.000 0.433 294 H N -1.620 117.571 119.070 0.202 0.000 2.505 294 H HA 0.218 4.774 4.556 0.001 0.000 0.286 294 H C -0.491 174.941 175.328 0.173 0.000 1.072 294 H CA -0.662 55.514 56.048 0.214 0.000 1.141 294 H CB 0.316 30.246 29.762 0.279 0.000 1.550 294 H HN 0.168 nan 8.280 nan 0.000 0.547 295 F N 1.777 121.611 119.950 -0.193 0.000 2.213 295 F HA 0.218 4.745 4.527 0.000 0.000 0.297 295 F C 0.665 176.471 175.800 0.009 0.000 1.094 295 F CA -0.653 57.161 58.000 -0.310 0.000 1.121 295 F CB 0.776 39.416 39.000 -0.599 0.000 1.622 295 F HN 0.181 nan 8.300 nan 0.000 0.521 296 H N -0.383 118.312 119.070 -0.625 0.000 2.985 296 H HA 0.592 5.148 4.556 0.000 0.000 0.360 296 H C -1.619 173.507 175.328 -0.337 0.000 1.221 296 H CA -0.855 54.968 56.048 -0.374 0.000 1.121 296 H CB 0.823 30.365 29.762 -0.367 0.000 1.854 296 H HN 0.599 nan 8.280 nan 0.000 0.551 297 V N -0.539 119.286 119.914 -0.149 0.000 3.155 297 V HA 0.618 4.738 4.120 0.001 0.000 0.313 297 V C -0.601 175.472 176.094 -0.035 0.000 1.162 297 V CA -1.273 60.943 62.300 -0.140 0.000 1.048 297 V CB 1.977 33.745 31.823 -0.092 0.000 1.092 297 V HN 0.654 nan 8.190 nan 0.000 0.447 298 L N 1.811 123.003 121.223 -0.051 0.000 2.295 298 L HA 0.778 5.118 4.340 0.001 0.000 0.285 298 L C -0.671 176.183 176.870 -0.026 0.000 1.035 298 L CA -0.686 54.147 54.840 -0.012 0.000 0.806 298 L CB 1.641 43.694 42.059 -0.010 0.000 1.214 298 L HN 0.596 nan 8.230 nan 0.000 0.426 299 V N 3.208 123.113 119.914 -0.014 0.000 2.612 299 V HA 0.281 4.401 4.120 0.001 0.000 0.301 299 V C -0.397 175.687 176.094 -0.016 0.000 1.059 299 V CA -0.156 62.133 62.300 -0.018 0.000 0.886 299 V CB 1.693 33.503 31.823 -0.020 0.000 1.007 299 V HN 0.909 nan 8.190 nan 0.000 0.426 300 D N 4.731 125.122 120.400 -0.016 0.000 2.870 300 D HA -0.141 4.499 4.640 0.001 0.000 0.228 300 D C 1.124 177.415 176.300 -0.015 0.000 1.147 300 D CA 2.218 56.207 54.000 -0.018 0.000 0.757 300 D CB -1.131 39.653 40.800 -0.027 0.000 1.091 300 D HN 1.944 nan 8.370 nan 0.000 0.429 301 G N -1.208 107.586 108.800 -0.010 0.000 2.179 301 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 301 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 301 G C 0.086 174.981 174.900 -0.009 0.000 0.977 301 G CA 0.763 45.858 45.100 -0.008 0.000 0.641 301 G HN 0.770 nan 8.290 nan 0.000 0.533 302 Q N -0.252 119.542 119.800 -0.010 0.000 2.416 302 Q HA 0.679 5.019 4.340 0.001 0.000 0.279 302 Q C -0.662 175.334 176.000 -0.008 0.000 1.101 302 Q CA -1.184 54.610 55.803 -0.015 0.000 0.830 302 Q CB 1.649 30.375 28.738 -0.019 0.000 1.402 302 Q HN 0.255 nan 8.270 nan 0.000 0.445 303 K N 0.555 120.939 120.400 -0.026 0.000 2.276 303 K HA 0.550 4.870 4.320 0.001 0.000 0.283 303 K C -0.842 175.752 176.600 -0.010 0.000 1.044 303 K CA -0.268 56.012 56.287 -0.011 0.000 0.944 303 K CB 1.103 33.481 32.500 -0.203 0.000 1.012 303 K HN 0.648 nan 8.250 nan 0.000 0.472 304 A N 4.938 127.777 122.820 0.032 0.000 2.319 304 A HA 0.430 4.750 4.320 0.001 0.000 0.310 304 A C -2.498 175.110 177.584 0.039 0.000 1.152 304 A CA -1.828 50.221 52.037 0.019 0.000 0.783 304 A CB 0.830 19.835 19.000 0.008 0.000 1.184 304 A HN 0.421 nan 8.150 nan 0.000 0.474 305 P HA 0.253 nan 4.420 nan 0.000 0.276 305 P C -0.322 176.985 177.300 0.012 0.000 1.235 305 P CA 0.143 63.270 63.100 0.046 0.000 0.772 305 P CB 0.670 32.401 31.700 0.051 0.000 0.871 306 I N 3.332 123.924 120.570 0.035 0.000 2.648 306 I HA 0.049 4.219 4.170 0.001 0.000 0.284 306 I C 0.892 176.968 176.117 -0.068 0.000 1.153 306 I CA -0.015 61.292 61.300 0.012 0.000 1.426 306 I CB 0.666 38.717 38.000 0.085 0.000 1.381 306 I HN 0.195 nan 8.210 nan 0.000 0.571 307 V N 3.447 123.250 119.914 -0.186 0.000 2.680 307 V HA 1.002 5.123 4.120 0.001 0.000 0.309 307 V C 0.249 176.173 176.094 -0.285 0.000 1.052 307 V CA -0.073 61.974 62.300 -0.421 0.000 0.908 307 V CB 0.819 32.015 31.823 -1.045 0.000 1.001 307 V HN 1.139 nan 8.190 nan 0.000 0.431 308 G N 3.761 112.483 108.800 -0.130 0.000 2.796 308 G HA2 -0.160 3.800 3.960 0.001 0.000 0.226 308 G HA3 -0.160 3.800 3.960 0.001 0.000 0.226 308 G C -0.254 174.652 174.900 0.010 0.000 1.381 308 G CA -0.162 44.957 45.100 0.031 0.000 0.867 308 G HN 1.137 nan 8.290 nan 0.000 0.552 309 R N -0.930 119.609 120.500 0.064 0.000 2.641 309 R HA 0.429 4.769 4.340 0.001 0.000 0.269 309 R C 0.569 176.943 176.300 0.124 0.000 1.074 309 R CA -0.361 55.794 56.100 0.093 0.000 1.133 309 R CB 0.563 30.965 30.300 0.171 0.000 1.029 309 R HN 0.446 nan 8.270 nan 0.000 0.488 310 I N 1.503 122.167 120.570 0.157 0.000 2.474 310 I HA 0.065 4.235 4.170 0.001 0.000 0.287 310 I C 0.411 176.729 176.117 0.335 0.000 1.048 310 I CA -0.248 61.182 61.300 0.216 0.000 1.383 310 I CB 0.905 39.047 38.000 0.237 0.000 1.412 310 I HN 0.527 nan 8.210 nan 0.000 0.531 311 C N 4.826 124.267 119.300 0.235 0.000 2.352 311 C HA 0.236 4.696 4.460 0.001 0.000 0.387 311 C C 1.912 176.731 174.990 -0.284 0.000 1.294 311 C CA -0.557 58.584 59.018 0.206 0.000 2.137 311 C CB 1.286 29.110 27.740 0.139 0.000 2.146 311 C HN 0.904 nan 8.230 nan 0.000 0.559 312 M N 0.977 120.195 119.600 -0.636 0.000 2.159 312 M HA -0.127 4.354 4.480 0.001 0.000 0.263 312 M C 0.698 176.696 176.300 -0.504 0.000 1.063 312 M CA 2.016 56.610 55.300 -1.176 0.000 1.110 312 M CB -0.122 32.118 32.600 -0.600 0.000 1.374 312 M HN 0.709 nan 8.290 nan 0.000 0.411 313 D N -1.132 119.128 120.400 -0.233 0.000 2.520 313 D HA 0.154 4.794 4.640 0.001 0.000 0.223 313 D C -0.232 176.028 176.300 -0.065 0.000 1.186 313 D CA 0.134 54.063 54.000 -0.119 0.000 0.821 313 D CB 0.662 41.419 40.800 -0.072 0.000 1.072 313 D HN 0.463 nan 8.370 nan 0.000 0.518 314 Q N 0.170 119.942 119.800 -0.047 0.000 2.534 314 Q HA 0.621 4.961 4.340 0.001 0.000 0.290 314 Q C -0.870 175.139 176.000 0.016 0.000 0.991 314 Q CA -0.965 54.828 55.803 -0.017 0.000 0.783 314 Q CB 2.850 31.580 28.738 -0.013 0.000 1.470 314 Q HN 0.241 nan 8.270 nan 0.000 0.406 315 C N -1.207 118.103 119.300 0.017 0.000 3.288 315 C HA 0.898 5.359 4.460 0.001 0.000 0.318 315 C C -1.301 173.692 174.990 0.005 0.000 1.356 315 C CA -0.813 58.228 59.018 0.038 0.000 1.359 315 C CB 0.864 28.672 27.740 0.113 0.000 1.688 315 C HN 0.847 nan 8.230 nan 0.000 0.467 316 M N 2.351 121.943 119.600 -0.013 0.000 2.578 316 M HA 0.824 5.304 4.480 0.001 0.000 0.321 316 M C -0.259 176.005 176.300 -0.060 0.000 1.182 316 M CA -0.811 54.463 55.300 -0.042 0.000 0.965 316 M CB 1.626 34.183 32.600 -0.071 0.000 1.694 316 M HN 0.842 nan 8.290 nan 0.000 0.461 317 I N -1.741 118.796 120.570 -0.055 0.000 2.769 317 I HA 0.672 4.843 4.170 0.001 0.000 0.298 317 I C -0.793 175.296 176.117 -0.046 0.000 1.128 317 I CA -1.082 60.187 61.300 -0.051 0.000 1.031 317 I CB 2.215 40.203 38.000 -0.020 0.000 1.235 317 I HN 0.602 nan 8.210 nan 0.000 0.423 318 R N 4.394 124.867 120.500 -0.045 0.000 2.340 318 R HA 0.624 4.965 4.340 0.001 0.000 0.300 318 R C -1.175 175.149 176.300 0.040 0.000 1.069 318 R CA -0.448 55.654 56.100 0.003 0.000 0.984 318 R CB 0.853 31.162 30.300 0.015 0.000 1.003 318 R HN 0.670 nan 8.270 nan 0.000 0.459 319 L N 6.364 127.638 121.223 0.085 0.000 2.344 319 L HA 0.391 4.731 4.340 0.001 0.000 0.272 319 L C -1.422 175.499 176.870 0.084 0.000 1.035 319 L CA -2.190 52.695 54.840 0.075 0.000 0.807 319 L CB 1.442 43.551 42.059 0.083 0.000 1.237 319 L HN 0.536 nan 8.230 nan 0.000 0.442 320 P HA -0.058 nan 4.420 nan 0.000 0.218 320 P C 0.418 177.727 177.300 0.016 0.000 1.148 320 P CA 0.748 63.860 63.100 0.019 0.000 0.822 320 P CB 0.276 31.967 31.700 -0.014 0.000 0.784 321 G N -2.438 106.328 108.800 -0.058 0.000 2.428 321 G HA2 0.332 4.292 3.960 0.001 0.000 0.305 321 G HA3 0.332 4.292 3.960 0.001 0.000 0.305 321 G C -3.253 171.272 174.900 -0.625 0.000 1.260 321 G CA -0.709 44.237 45.100 -0.255 0.000 0.853 321 G HN -0.313 nan 8.290 nan 0.000 0.480 322 P HA 0.412 nan 4.420 nan 0.000 0.276 322 P C -0.606 176.366 177.300 -0.546 0.000 1.264 322 P CA 0.123 62.459 63.100 -1.274 0.000 0.769 322 P CB 0.975 31.674 31.700 -1.668 0.000 0.840 323 L N 6.287 127.315 121.223 -0.325 0.000 2.322 323 L HA 0.558 4.898 4.340 0.001 0.000 0.269 323 L C -1.884 174.911 176.870 -0.125 0.000 1.012 323 L CA -2.538 52.195 54.840 -0.178 0.000 0.815 323 L CB 2.002 43.997 42.059 -0.106 0.000 1.295 323 L HN 0.229 nan 8.230 nan 0.000 0.438 324 P HA 0.101 nan 4.420 nan 0.000 0.275 324 P C -0.427 176.866 177.300 -0.011 0.000 1.227 324 P CA -0.264 62.809 63.100 -0.045 0.000 0.781 324 P CB 1.112 32.790 31.700 -0.037 0.000 0.906 325 V N 2.351 122.274 119.914 0.015 0.000 2.901 325 V HA 0.233 4.353 4.120 0.001 0.000 0.307 325 V C 1.780 177.894 176.094 0.033 0.000 1.084 325 V CA 2.165 64.490 62.300 0.042 0.000 1.184 325 V CB -0.086 31.778 31.823 0.069 0.000 0.941 325 V HN 1.088 nan 8.190 nan 0.000 0.493 326 G N 3.359 112.184 108.800 0.043 0.000 2.194 326 G HA2 -0.231 3.729 3.960 0.001 0.000 0.236 326 G HA3 -0.231 3.729 3.960 0.001 0.000 0.236 326 G C 0.372 175.300 174.900 0.047 0.000 0.987 326 G CA 0.103 45.231 45.100 0.046 0.000 0.635 326 G HN 0.785 nan 8.290 nan 0.000 0.520 327 T N 2.252 116.824 114.554 0.029 0.000 2.902 327 T HA 0.343 4.693 4.350 0.001 0.000 0.301 327 T C 0.587 175.310 174.700 0.038 0.000 1.012 327 T CA 0.455 62.568 62.100 0.021 0.000 1.151 327 T CB 1.197 70.064 68.868 -0.002 0.000 0.946 327 T HN 0.392 nan 8.240 nan 0.000 0.542 328 K N 3.006 123.436 120.400 0.049 0.000 2.350 328 K HA 0.283 4.603 4.320 0.001 0.000 0.279 328 K C -0.918 175.686 176.600 0.008 0.000 1.027 328 K CA -0.269 56.055 56.287 0.062 0.000 0.969 328 K CB 0.458 33.012 32.500 0.090 0.000 0.954 328 K HN 0.312 nan 8.250 nan 0.000 0.474 329 V N 3.328 123.222 119.914 -0.033 0.000 2.540 329 V HA 0.247 4.368 4.120 0.001 0.000 0.302 329 V C -0.379 175.640 176.094 -0.125 0.000 1.035 329 V CA -0.741 61.512 62.300 -0.079 0.000 0.873 329 V CB 2.092 33.851 31.823 -0.108 0.000 0.992 329 V HN 0.825 nan 8.190 nan 0.000 0.428 330 T N 5.713 120.203 114.554 -0.108 0.000 2.779 330 T HA 0.515 4.865 4.350 0.001 0.000 0.280 330 T C 0.608 175.159 174.700 -0.249 0.000 0.987 330 T CA -0.203 61.798 62.100 -0.165 0.000 0.966 330 T CB 1.570 70.419 68.868 -0.032 0.000 0.933 330 T HN 0.382 nan 8.240 nan 0.000 0.442 331 L N 2.959 123.946 121.223 -0.394 0.000 2.425 331 L HA 0.486 4.826 4.340 0.001 0.000 0.215 331 L C 0.268 177.065 176.870 -0.122 0.000 1.065 331 L CA 0.755 55.384 54.840 -0.352 0.000 0.842 331 L CB 0.297 41.869 42.059 -0.811 0.000 1.033 331 L HN 0.548 nan 8.230 nan 0.000 0.474 332 I N -0.378 120.060 120.570 -0.220 0.000 2.534 332 I HA 0.609 4.779 4.170 0.001 0.000 0.286 332 I C -0.004 176.006 176.117 -0.179 0.000 1.094 332 I CA -0.455 60.800 61.300 -0.075 0.000 1.055 332 I CB 1.556 39.576 38.000 0.033 0.000 1.225 332 I HN 0.133 nan 8.210 nan 0.000 0.435 333 G N 5.393 114.153 108.800 -0.066 0.000 2.320 333 G HA2 0.196 4.156 3.960 0.001 0.000 0.274 333 G HA3 0.196 4.156 3.960 0.001 0.000 0.274 333 G C -1.698 173.204 174.900 0.004 0.000 1.324 333 G CA -0.985 44.093 45.100 -0.038 0.000 0.957 333 G HN 0.779 nan 8.290 nan 0.000 0.481 334 R N -0.669 119.847 120.500 0.026 0.000 2.807 334 R HA 0.837 5.177 4.340 0.001 0.000 0.276 334 R C -0.946 175.369 176.300 0.024 0.000 0.979 334 R CA -0.830 55.284 56.100 0.024 0.000 0.928 334 R CB 1.920 32.233 30.300 0.022 0.000 1.191 334 R HN 0.528 nan 8.270 nan 0.000 0.471 335 Q N 1.545 121.354 119.800 0.016 0.000 2.337 335 Q HA 0.323 4.663 4.340 0.001 0.000 0.260 335 Q C -0.200 175.803 176.000 0.004 0.000 0.982 335 Q CA 0.115 55.924 55.803 0.009 0.000 0.734 335 Q CB 2.062 30.805 28.738 0.008 0.000 1.272 335 Q HN 1.050 nan 8.270 nan 0.000 0.461 336 G N 3.382 112.182 108.800 0.001 0.000 2.601 336 G HA2 -0.354 3.606 3.960 0.001 0.000 0.306 336 G HA3 -0.354 3.606 3.960 0.001 0.000 0.306 336 G C 0.346 175.247 174.900 0.002 0.000 1.172 336 G CA 0.652 45.751 45.100 -0.001 0.000 0.966 336 G HN 0.666 nan 8.290 nan 0.000 0.542 337 D N 1.624 122.025 120.400 0.002 0.000 2.392 337 D HA 0.172 4.812 4.640 0.001 0.000 0.206 337 D C 0.836 177.142 176.300 0.009 0.000 1.046 337 D CA 0.332 54.334 54.000 0.004 0.000 0.865 337 D CB 0.251 41.052 40.800 0.001 0.000 0.969 337 D HN 0.450 nan 8.370 nan 0.000 0.509 338 E N 0.946 121.152 120.200 0.009 0.000 2.349 338 E HA 0.324 4.675 4.350 0.001 0.000 0.265 338 E C 0.053 176.670 176.600 0.029 0.000 1.064 338 E CA -0.411 55.999 56.400 0.018 0.000 0.886 338 E CB 2.665 32.375 29.700 0.016 0.000 1.036 338 E HN -0.091 nan 8.360 nan 0.000 0.413 339 V N 0.905 120.846 119.914 0.045 0.000 3.120 339 V HA 0.593 4.714 4.120 0.001 0.000 0.303 339 V C -1.382 174.759 176.094 0.079 0.000 1.238 339 V CA -0.734 61.596 62.300 0.051 0.000 1.008 339 V CB 2.010 33.861 31.823 0.046 0.000 1.064 339 V HN 0.585 nan 8.190 nan 0.000 0.434 340 I N 4.791 125.406 120.570 0.075 0.000 2.468 340 I HA 0.574 4.744 4.170 0.001 0.000 0.285 340 I C 0.146 176.331 176.117 0.113 0.000 1.039 340 I CA -0.325 61.043 61.300 0.114 0.000 1.074 340 I CB 2.250 40.301 38.000 0.085 0.000 1.228 340 I HN 0.954 nan 8.210 nan 0.000 0.436 341 S N 5.263 121.041 115.700 0.129 0.000 2.722 341 S HA 0.547 5.017 4.470 0.001 0.000 0.292 341 S C 1.013 175.680 174.600 0.112 0.000 1.135 341 S CA -0.760 57.504 58.200 0.107 0.000 1.003 341 S CB 1.882 65.135 63.200 0.089 0.000 1.067 341 S HN 0.573 nan 8.310 nan 0.000 0.546 342 I N 0.741 121.367 120.570 0.094 0.000 2.335 342 I HA -0.175 3.995 4.170 0.001 0.000 0.251 342 I C 1.593 177.732 176.117 0.036 0.000 1.129 342 I CA 1.290 62.628 61.300 0.064 0.000 1.402 342 I CB -0.329 37.699 38.000 0.046 0.000 1.069 342 I HN 0.660 nan 8.210 nan 0.000 0.424 343 D N 0.683 121.111 120.400 0.048 0.000 2.178 343 D HA -0.176 4.465 4.640 0.001 0.000 0.201 343 D C 1.739 178.070 176.300 0.052 0.000 0.980 343 D CA 1.105 55.129 54.000 0.041 0.000 0.842 343 D CB -0.262 40.565 40.800 0.045 0.000 0.948 343 D HN 0.332 nan 8.370 nan 0.000 0.472 344 D N -0.033 120.423 120.400 0.094 0.000 2.097 344 D HA -0.083 4.557 4.640 0.001 0.000 0.197 344 D C 2.305 178.623 176.300 0.031 0.000 0.984 344 D CA 0.461 54.556 54.000 0.158 0.000 0.826 344 D CB -0.081 40.897 40.800 0.297 0.000 0.973 344 D HN 0.066 nan 8.370 nan 0.000 0.460 345 V N 1.568 121.436 119.914 -0.076 0.000 2.427 345 V HA -0.200 3.920 4.120 0.001 0.000 0.248 345 V C 2.545 178.482 176.094 -0.261 0.000 1.051 345 V CA 1.668 63.741 62.300 -0.380 0.000 1.048 345 V CB -0.762 30.912 31.823 -0.248 0.000 0.666 345 V HN 0.155 nan 8.190 nan 0.000 0.456 346 A N 0.066 122.815 122.820 -0.119 0.000 1.933 346 A HA -0.251 4.069 4.320 0.001 0.000 0.218 346 A C 2.426 179.969 177.584 -0.069 0.000 1.175 346 A CA 2.023 54.011 52.037 -0.082 0.000 0.628 346 A CB -0.550 18.433 19.000 -0.028 0.000 0.814 346 A HN 0.495 nan 8.150 nan 0.000 0.444 347 R N -1.502 118.975 120.500 -0.038 0.000 2.075 347 R HA -0.197 4.143 4.340 0.001 0.000 0.232 347 R C 2.144 178.423 176.300 -0.037 0.000 1.126 347 R CA 1.917 58.010 56.100 -0.012 0.000 0.963 347 R CB -0.456 29.869 30.300 0.042 0.000 0.858 347 R HN 0.722 nan 8.270 nan 0.000 0.435 348 H N -0.016 118.956 119.070 -0.163 0.000 2.389 348 H HA 0.011 4.567 4.556 0.000 0.000 0.299 348 H C 1.782 176.989 175.328 -0.202 0.000 1.081 348 H CA 1.631 57.566 56.048 -0.189 0.000 1.345 348 H CB 0.060 29.584 29.762 -0.398 0.000 1.393 348 H HN 0.159 nan 8.280 nan 0.000 0.520 349 L N -0.003 121.135 121.223 -0.142 0.000 2.478 349 L HA -0.003 4.337 4.340 0.001 0.000 0.223 349 L C 0.303 177.094 176.870 -0.132 0.000 1.140 349 L CA 0.613 55.360 54.840 -0.155 0.000 0.842 349 L CB 0.030 41.979 42.059 -0.183 0.000 0.953 349 L HN 0.376 nan 8.230 nan 0.000 0.452 350 E N 0.114 120.244 120.200 -0.117 0.000 2.287 350 E HA -0.200 4.150 4.350 0.001 0.000 0.229 350 E C 0.110 176.669 176.600 -0.068 0.000 1.194 350 E CA 0.637 56.983 56.400 -0.088 0.000 0.704 350 E CB -0.808 28.834 29.700 -0.096 0.000 1.216 350 E HN 0.391 nan 8.360 nan 0.000 0.381 351 T N -1.392 113.127 114.554 -0.058 0.000 2.618 351 T HA 0.748 5.098 4.350 0.001 0.000 0.293 351 T C -0.765 173.927 174.700 -0.013 0.000 1.093 351 T CA -0.383 61.692 62.100 -0.041 0.000 1.061 351 T CB 0.940 69.776 68.868 -0.052 0.000 1.498 351 T HN 0.325 nan 8.240 nan 0.000 0.494 352 I N 1.078 121.658 120.570 0.017 0.000 2.676 352 I HA 0.544 4.714 4.170 0.001 0.000 0.309 352 I C 1.286 177.463 176.117 0.099 0.000 0.990 352 I CA -1.068 60.280 61.300 0.080 0.000 1.168 352 I CB 1.497 39.584 38.000 0.145 0.000 1.343 352 I HN 0.759 nan 8.210 nan 0.000 0.482 353 N N 2.419 121.181 118.700 0.105 0.000 2.137 353 N HA -0.288 4.452 4.740 0.001 0.000 0.190 353 N C 1.351 176.892 175.510 0.051 0.000 1.017 353 N CA 1.719 54.793 53.050 0.039 0.000 0.859 353 N CB -1.065 37.416 38.487 -0.010 0.000 1.002 353 N HN 0.787 nan 8.380 nan 0.000 0.428 354 Y N 0.837 121.131 120.300 -0.010 0.000 2.096 354 Y HA -0.249 4.301 4.550 0.000 0.000 0.278 354 Y C 2.657 178.496 175.900 -0.101 0.000 1.192 354 Y CA 2.006 60.090 58.100 -0.027 0.000 1.143 354 Y CB -0.544 37.892 38.460 -0.039 0.000 0.963 354 Y HN 0.309 nan 8.280 nan 0.000 0.505 355 E N -0.151 120.105 120.200 0.092 0.000 2.268 355 E HA -0.129 4.221 4.350 0.001 0.000 0.195 355 E C 1.997 178.560 176.600 -0.061 0.000 0.995 355 E CA 0.903 57.295 56.400 -0.014 0.000 0.836 355 E CB -0.038 29.647 29.700 -0.025 0.000 0.763 355 E HN 0.282 nan 8.360 nan 0.000 0.491 356 V N 2.023 121.894 119.914 -0.072 0.000 2.244 356 V HA -0.140 3.981 4.120 0.001 0.000 0.244 356 V C -0.751 175.227 176.094 -0.193 0.000 1.042 356 V CA 2.039 64.272 62.300 -0.112 0.000 1.006 356 V CB -1.337 30.428 31.823 -0.097 0.000 0.641 356 V HN 0.368 nan 8.190 nan 0.000 0.446 357 P HA -0.094 nan 4.420 nan 0.000 0.221 357 P C 1.703 178.790 177.300 -0.356 0.000 1.150 357 P CA 1.322 64.050 63.100 -0.620 0.000 0.800 357 P CB -0.251 30.939 31.700 -0.851 0.000 0.787 358 C N -0.561 118.620 119.300 -0.198 0.000 2.432 358 C HA -0.029 4.431 4.460 0.001 0.000 0.280 358 C C 2.617 177.569 174.990 -0.063 0.000 1.353 358 C CA 1.515 60.465 59.018 -0.113 0.000 1.766 358 C CB -1.936 25.739 27.740 -0.107 0.000 1.924 358 C HN 0.299 nan 8.230 nan 0.000 0.509 359 T N 0.792 115.306 114.554 -0.066 0.000 3.088 359 T HA 0.140 4.491 4.350 0.001 0.000 0.259 359 T C 0.631 175.339 174.700 0.012 0.000 1.122 359 T CA 0.477 62.567 62.100 -0.017 0.000 1.095 359 T CB -0.135 68.718 68.868 -0.024 0.000 0.930 359 T HN 0.227 nan 8.240 nan 0.000 0.508 360 I N 4.154 124.717 120.570 -0.011 0.000 2.494 360 I HA 0.116 4.286 4.170 0.001 0.000 0.289 360 I C 1.257 177.394 176.117 0.034 0.000 1.106 360 I CA -0.263 61.060 61.300 0.039 0.000 1.369 360 I CB -0.664 37.383 38.000 0.079 0.000 1.410 360 I HN 0.237 nan 8.210 nan 0.000 0.523 361 S N 7.079 122.793 115.700 0.023 0.000 2.606 361 S HA 0.010 4.480 4.470 0.001 0.000 0.257 361 S C 1.355 175.927 174.600 -0.046 0.000 1.327 361 S CA -0.182 58.030 58.200 0.020 0.000 0.984 361 S CB 0.283 63.477 63.200 -0.010 0.000 0.941 361 S HN 0.580 nan 8.310 nan 0.000 0.576 362 Y N -0.121 120.210 120.300 0.051 0.000 2.465 362 Y HA 0.075 4.625 4.550 0.000 0.000 0.289 362 Y C 2.106 178.033 175.900 0.045 0.000 1.150 362 Y CA 0.880 59.012 58.100 0.053 0.000 1.293 362 Y CB -0.529 37.964 38.460 0.055 0.000 0.977 362 Y HN 0.501 nan 8.280 nan 0.000 0.556 363 R N 0.603 120.489 120.500 -1.024 0.000 2.189 363 R HA 0.079 4.419 4.340 0.001 0.000 0.218 363 R C -0.173 175.963 176.300 -0.273 0.000 1.074 363 R CA 0.627 56.328 56.100 -0.666 0.000 0.991 363 R CB -0.083 29.851 30.300 -0.610 0.000 0.883 363 R HN 0.197 nan 8.270 nan 0.000 0.457 364 V N 4.567 124.356 119.914 -0.209 0.000 2.364 364 V HA 0.179 4.299 4.120 0.001 0.000 0.272 364 V C -1.989 174.025 176.094 -0.132 0.000 1.036 364 V CA -1.965 60.245 62.300 -0.151 0.000 0.880 364 V CB 1.310 33.066 31.823 -0.112 0.000 0.991 364 V HN 0.045 nan 8.190 nan 0.000 0.460 365 P HA 0.317 nan 4.420 nan 0.000 0.271 365 P C -0.736 176.448 177.300 -0.194 0.000 1.218 365 P CA -0.617 62.353 63.100 -0.217 0.000 0.780 365 P CB 0.914 32.332 31.700 -0.471 0.000 0.901 366 R N 1.999 122.424 120.500 -0.125 0.000 2.295 366 R HA 0.519 4.860 4.340 0.001 0.000 0.324 366 R C -0.233 175.837 176.300 -0.383 0.000 0.968 366 R CA -0.453 55.477 56.100 -0.284 0.000 0.837 366 R CB 0.319 30.461 30.300 -0.264 0.000 1.133 366 R HN 0.467 nan 8.270 nan 0.000 0.450 367 I N 4.841 125.180 120.570 -0.386 0.000 2.321 367 I HA 0.311 4.482 4.170 0.001 0.000 0.291 367 I C -0.545 175.285 176.117 -0.479 0.000 0.998 367 I CA -0.548 60.587 61.300 -0.274 0.000 1.227 367 I CB 0.808 38.770 38.000 -0.064 0.000 1.368 367 I HN 0.372 nan 8.210 nan 0.000 0.466 368 F N 5.931 125.800 119.950 -0.136 0.000 2.408 368 F HA 0.486 5.013 4.527 0.000 0.000 0.344 368 F C -0.184 175.445 175.800 -0.285 0.000 1.112 368 F CA -0.428 57.524 58.000 -0.079 0.000 1.096 368 F CB 0.932 39.920 39.000 -0.020 0.000 1.129 368 F HN 0.185 nan 8.300 nan 0.000 0.486 369 F N 2.004 122.048 119.950 0.157 0.000 2.508 369 F HA 0.754 5.281 4.527 0.001 0.000 0.325 369 F C -0.150 175.685 175.800 0.058 0.000 1.090 369 F CA -0.893 57.160 58.000 0.087 0.000 0.945 369 F CB 2.130 41.161 39.000 0.051 0.000 1.156 369 F HN 0.291 nan 8.300 nan 0.000 0.463 370 R N 0.527 121.126 120.500 0.165 0.000 2.561 370 R HA 0.370 4.710 4.340 0.001 0.000 0.266 370 R C -0.995 175.279 176.300 -0.043 0.000 1.091 370 R CA -0.969 55.098 56.100 -0.055 0.000 0.927 370 R CB 0.313 30.511 30.300 -0.170 0.000 1.240 370 R HN 0.752 nan 8.270 nan 0.000 0.449 371 H N 4.114 123.216 119.070 0.054 0.000 2.820 371 H HA -0.185 4.371 4.556 0.000 0.000 0.295 371 H C -0.396 174.969 175.328 0.061 0.000 1.187 371 H CA 1.095 57.159 56.048 0.027 0.000 1.144 371 H CB -0.526 29.237 29.762 0.002 0.000 1.354 371 H HN 0.696 nan 8.280 nan 0.000 0.395 372 K N -2.012 118.490 120.400 0.169 0.000 3.281 372 K HA -0.208 4.112 4.320 0.001 0.000 0.295 372 K C -0.263 176.478 176.600 0.235 0.000 1.233 372 K CA 1.416 57.802 56.287 0.165 0.000 0.866 372 K CB -1.289 31.271 32.500 0.100 0.000 1.265 372 K HN 0.627 nan 8.250 nan 0.000 0.482 373 R N -0.004 120.659 120.500 0.271 0.000 2.744 373 R HA 0.494 4.834 4.340 0.001 0.000 0.279 373 R C 0.167 176.539 176.300 0.120 0.000 0.977 373 R CA -1.154 55.078 56.100 0.219 0.000 0.906 373 R CB 0.644 31.018 30.300 0.123 0.000 1.197 373 R HN -0.055 nan 8.270 nan 0.000 0.463 374 I N 2.516 123.039 120.570 -0.078 0.000 2.662 374 I HA -0.081 4.089 4.170 0.001 0.000 0.285 374 I C 1.913 177.901 176.117 -0.214 0.000 1.161 374 I CA 0.471 61.482 61.300 -0.483 0.000 1.415 374 I CB 0.439 38.191 38.000 -0.413 0.000 1.385 374 I HN 0.579 nan 8.210 nan 0.000 0.552 375 M N 5.583 125.074 119.600 -0.182 0.000 2.257 375 M HA 0.081 4.562 4.480 0.001 0.000 0.260 375 M C 0.500 176.782 176.300 -0.030 0.000 1.102 375 M CA 1.407 56.678 55.300 -0.048 0.000 1.169 375 M CB 0.358 32.965 32.600 0.010 0.000 1.323 375 M HN 0.749 nan 8.290 nan 0.000 0.447 376 E N -1.273 118.939 120.200 0.020 0.000 2.447 376 E HA 0.481 4.832 4.350 0.001 0.000 0.279 376 E C -1.514 175.181 176.600 0.157 0.000 1.053 376 E CA -1.019 55.415 56.400 0.058 0.000 0.840 376 E CB 2.057 31.776 29.700 0.032 0.000 1.409 376 E HN 0.022 nan 8.360 nan 0.000 0.461 377 V N 0.577 120.576 119.914 0.141 0.000 2.680 377 V HA 0.575 4.696 4.120 0.001 0.000 0.309 377 V C -0.535 175.687 176.094 0.212 0.000 1.052 377 V CA -0.777 61.624 62.300 0.169 0.000 0.908 377 V CB 1.767 33.669 31.823 0.133 0.000 1.001 377 V HN 0.671 nan 8.190 nan 0.000 0.431 378 R N 3.477 124.125 120.500 0.247 0.000 2.467 378 R HA 0.381 4.722 4.340 0.001 0.000 0.299 378 R C -1.112 175.277 176.300 0.148 0.000 1.120 378 R CA -0.447 55.794 56.100 0.235 0.000 0.940 378 R CB 0.769 31.311 30.300 0.403 0.000 1.161 378 R HN 0.718 nan 8.270 nan 0.000 0.506 379 N N 3.215 121.991 118.700 0.127 0.000 2.501 379 N HA 0.214 4.954 4.740 0.001 0.000 0.245 379 N C 0.538 176.122 175.510 0.123 0.000 0.974 379 N CA -0.025 53.088 53.050 0.105 0.000 0.941 379 N CB 1.858 40.425 38.487 0.134 0.000 1.122 379 N HN 0.666 nan 8.380 nan 0.000 0.507 380 A N 4.086 126.987 122.820 0.136 0.000 1.883 380 A HA -0.127 4.193 4.320 0.001 0.000 0.217 380 A C 1.593 179.287 177.584 0.183 0.000 1.186 380 A CA 1.318 53.459 52.037 0.173 0.000 0.624 380 A CB -0.671 18.476 19.000 0.246 0.000 0.822 380 A HN 0.815 nan 8.150 nan 0.000 0.444 381 I N -2.227 118.464 120.570 0.202 0.000 3.826 381 I HA 0.414 4.584 4.170 0.001 0.000 0.319 381 I C 0.775 176.981 176.117 0.149 0.000 1.394 381 I CA -0.228 61.188 61.300 0.193 0.000 1.197 381 I CB -0.798 37.346 38.000 0.239 0.000 1.096 381 I HN 0.100 nan 8.210 nan 0.000 0.409 382 G N 1.077 109.957 108.800 0.134 0.000 2.563 382 G HA2 0.587 4.548 3.960 0.001 0.000 0.283 382 G HA3 0.587 4.548 3.960 0.001 0.000 0.283 382 G C 0.367 175.329 174.900 0.103 0.000 1.309 382 G CA -0.115 45.060 45.100 0.126 0.000 1.022 382 G HN 0.624 nan 8.290 nan 0.000 0.501 383 R N 0.000 120.557 120.500 0.095 0.000 2.786 383 R HA 0.000 4.340 4.340 0.001 0.000 0.208 383 R CA 0.000 56.144 56.100 0.073 0.000 0.921 383 R CB 0.000 30.340 30.300 0.068 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535