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 1epv_1_B 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 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 53.087 53.050 0.062 0.000 0.885 2 N CB 0.000 38.544 38.487 0.094 0.000 1.341 3 D N -0.974 119.451 120.400 0.041 0.000 2.596 3 D HA 0.669 5.309 4.640 -0.000 0.000 0.262 3 D C -1.209 175.065 176.300 -0.043 0.000 1.210 3 D CA -0.415 53.546 54.000 -0.065 0.000 0.873 3 D CB 1.283 41.933 40.800 -0.249 0.000 1.408 3 D HN 0.347 nan 8.370 nan 0.000 0.441 4 F N -2.751 116.968 119.950 -0.386 0.000 2.613 4 F HA 0.635 5.162 4.527 -0.000 0.000 0.314 4 F C -0.360 175.089 175.800 -0.585 0.000 1.075 4 F CA -1.038 56.745 58.000 -0.361 0.000 0.945 4 F CB 1.696 40.613 39.000 -0.139 0.000 1.310 4 F HN 0.272 nan 8.300 nan 0.000 0.467 5 H N -0.011 119.151 119.070 0.153 0.000 2.467 5 H HA 0.405 4.961 4.556 -0.000 0.000 0.275 5 H C -0.448 174.941 175.328 0.102 0.000 1.131 5 H CA -0.404 55.675 56.048 0.052 0.000 0.989 5 H CB 0.415 30.194 29.762 0.028 0.000 1.696 5 H HN 0.525 nan 8.280 nan 0.000 0.574 6 R N 0.708 121.365 120.500 0.261 0.000 2.626 6 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 6 R C -1.409 175.087 176.300 0.327 0.000 1.031 6 R CA -0.633 55.603 56.100 0.226 0.000 0.898 6 R CB 1.446 31.850 30.300 0.173 0.000 1.222 6 R HN 0.116 nan 8.270 nan 0.000 0.455 7 D N 3.005 123.562 120.400 0.262 0.000 2.934 7 D HA 0.157 4.797 4.640 -0.000 0.000 0.237 7 D C -0.802 175.758 176.300 0.433 0.000 1.158 7 D CA 0.513 54.746 54.000 0.388 0.000 0.971 7 D CB 0.667 41.637 40.800 0.284 0.000 1.123 7 D HN 0.341 nan 8.370 nan 0.000 0.467 8 T N 0.882 115.673 114.554 0.395 0.000 2.928 8 T HA 0.515 4.865 4.350 -0.000 0.000 0.296 8 T C -0.823 173.965 174.700 0.147 0.000 1.000 8 T CA -0.900 61.278 62.100 0.131 0.000 0.989 8 T CB 1.235 70.080 68.868 -0.038 0.000 1.005 8 T HN 0.316 nan 8.240 nan 0.000 0.442 9 W N 1.755 122.926 121.300 -0.214 0.000 3.248 9 W HA 0.825 5.485 4.660 -0.000 0.000 0.311 9 W C -1.478 174.872 176.519 -0.282 0.000 1.258 9 W CA -1.409 55.722 57.345 -0.357 0.000 1.191 9 W CB 0.610 29.793 29.460 -0.463 0.000 1.389 9 W HN 0.775 nan 8.180 nan 0.000 0.561 10 A N 1.743 124.401 122.820 -0.270 0.000 2.306 10 A HA 0.784 5.104 4.320 -0.000 0.000 0.330 10 A C -0.836 176.600 177.584 -0.246 0.000 1.146 10 A CA -0.762 50.983 52.037 -0.487 0.000 0.827 10 A CB 1.125 19.695 19.000 -0.717 0.000 1.178 10 A HN 0.697 nan 8.150 nan 0.000 0.490 11 E N 0.299 120.338 120.200 -0.268 0.000 2.210 11 E HA 0.516 4.866 4.350 -0.000 0.000 0.266 11 E C -1.531 174.987 176.600 -0.135 0.000 0.883 11 E CA -0.648 55.748 56.400 -0.005 0.000 0.761 11 E CB 2.303 32.157 29.700 0.256 0.000 1.156 11 E HN 0.337 nan 8.360 nan 0.000 0.412 12 V N 2.692 122.581 119.914 -0.042 0.000 2.409 12 V HA 0.137 4.257 4.120 -0.000 0.000 0.291 12 V C -0.556 175.723 176.094 0.308 0.000 1.020 12 V CA -0.768 61.607 62.300 0.125 0.000 0.848 12 V CB 1.650 33.534 31.823 0.102 0.000 0.990 12 V HN 0.636 nan 8.190 nan 0.000 0.430 13 D N 4.346 124.915 120.400 0.280 0.000 2.441 13 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 13 D C 0.964 177.408 176.300 0.240 0.000 1.156 13 D CA -0.105 54.041 54.000 0.245 0.000 0.896 13 D CB 1.124 42.005 40.800 0.135 0.000 1.028 13 D HN 0.453 nan 8.370 nan 0.000 0.509 14 L N 2.326 123.701 121.223 0.254 0.000 2.275 14 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 14 L C 1.547 178.486 176.870 0.115 0.000 1.119 14 L CA 0.565 55.515 54.840 0.182 0.000 0.790 14 L CB -0.024 42.126 42.059 0.151 0.000 0.919 14 L HN 0.299 nan 8.230 nan 0.000 0.443 15 D N 0.548 120.997 120.400 0.081 0.000 2.144 15 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 15 D C 2.253 178.619 176.300 0.110 0.000 0.978 15 D CA 1.466 55.492 54.000 0.043 0.000 0.833 15 D CB 0.120 40.926 40.800 0.011 0.000 0.961 15 D HN 0.328 nan 8.370 nan 0.000 0.470 16 A N 1.062 123.948 122.820 0.110 0.000 1.873 16 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 16 A C 2.390 180.033 177.584 0.097 0.000 1.186 16 A CA 0.751 52.852 52.037 0.107 0.000 0.616 16 A CB -0.723 18.345 19.000 0.113 0.000 0.823 16 A HN 0.147 nan 8.150 nan 0.000 0.442 17 I N -1.882 118.741 120.570 0.089 0.000 2.163 17 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 17 I C 2.489 178.635 176.117 0.050 0.000 1.085 17 I CA 2.022 63.334 61.300 0.019 0.000 1.347 17 I CB -0.436 37.565 38.000 0.001 0.000 1.044 17 I HN 0.561 nan 8.210 nan 0.000 0.408 18 Y N 2.090 122.377 120.300 -0.022 0.000 2.097 18 Y HA -0.334 4.215 4.550 -0.000 0.000 0.282 18 Y C 2.239 178.124 175.900 -0.024 0.000 1.152 18 Y CA 2.018 60.101 58.100 -0.028 0.000 1.136 18 Y CB -0.322 38.114 38.460 -0.041 0.000 0.975 18 Y HN 0.210 nan 8.280 nan 0.000 0.498 19 D N -0.158 120.366 120.400 0.207 0.000 2.149 19 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 19 D C 1.719 178.004 176.300 -0.026 0.000 0.990 19 D CA 1.352 55.403 54.000 0.085 0.000 0.839 19 D CB -0.429 40.432 40.800 0.101 0.000 0.948 19 D HN 0.441 nan 8.370 nan 0.000 0.460 20 N N 0.126 118.858 118.700 0.053 0.000 2.244 20 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 20 N C 1.940 177.537 175.510 0.144 0.000 1.016 20 N CA 0.449 53.604 53.050 0.175 0.000 0.866 20 N CB -0.099 38.500 38.487 0.187 0.000 0.980 20 N HN 0.140 nan 8.380 nan 0.000 0.430 21 V N 1.244 121.159 119.914 0.002 0.000 2.407 21 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 21 V C 2.330 178.268 176.094 -0.260 0.000 1.041 21 V CA 1.215 63.464 62.300 -0.084 0.000 1.040 21 V CB -0.442 31.299 31.823 -0.136 0.000 0.671 21 V HN 0.312 nan 8.190 nan 0.000 0.455 22 E N 0.697 120.678 120.200 -0.364 0.000 2.150 22 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 22 E C 1.919 178.334 176.600 -0.309 0.000 0.985 22 E CA 1.576 57.760 56.400 -0.361 0.000 0.814 22 E CB -0.149 29.310 29.700 -0.403 0.000 0.752 22 E HN 0.743 nan 8.360 nan 0.000 0.466 23 N N 0.142 118.597 118.700 -0.408 0.000 2.188 23 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 23 N C 1.936 177.131 175.510 -0.525 0.000 1.018 23 N CA 0.633 53.314 53.050 -0.614 0.000 0.858 23 N CB -0.015 37.706 38.487 -1.277 0.000 0.989 23 N HN 0.115 nan 8.380 nan 0.000 0.426 24 L N 1.419 122.410 121.223 -0.386 0.000 2.093 24 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 24 L C 2.198 178.939 176.870 -0.216 0.000 1.085 24 L CA 1.403 56.109 54.840 -0.224 0.000 0.755 24 L CB -0.268 41.519 42.059 -0.453 0.000 0.904 24 L HN -0.067 nan 8.230 nan 0.000 0.435 25 R N -0.161 120.199 120.500 -0.233 0.000 2.159 25 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 25 R C 2.287 178.502 176.300 -0.142 0.000 1.131 25 R CA 1.590 57.582 56.100 -0.180 0.000 0.982 25 R CB -0.284 29.904 30.300 -0.187 0.000 0.868 25 R HN 0.377 nan 8.270 nan 0.000 0.453 26 R N -0.842 119.565 120.500 -0.154 0.000 2.080 26 R HA 0.079 4.419 4.340 -0.000 0.000 0.222 26 R C 1.963 178.213 176.300 -0.083 0.000 1.107 26 R CA 0.938 56.969 56.100 -0.115 0.000 0.980 26 R CB -0.354 29.866 30.300 -0.132 0.000 0.879 26 R HN 0.191 nan 8.270 nan 0.000 0.439 27 L N 1.334 122.508 121.223 -0.082 0.000 2.376 27 L HA 0.102 4.442 4.340 -0.000 0.000 0.219 27 L C 0.137 176.989 176.870 -0.029 0.000 1.133 27 L CA 1.092 55.913 54.840 -0.031 0.000 0.816 27 L CB -0.075 41.998 42.059 0.024 0.000 0.933 27 L HN 0.101 nan 8.230 nan 0.000 0.449 28 L N 1.130 122.321 121.223 -0.053 0.000 2.344 28 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 28 L C -1.927 174.921 176.870 -0.036 0.000 1.035 28 L CA -1.956 52.861 54.840 -0.040 0.000 0.807 28 L CB 1.081 43.106 42.059 -0.056 0.000 1.237 28 L HN -0.040 nan 8.230 nan 0.000 0.442 29 P HA 0.037 nan 4.420 nan 0.000 0.268 29 P C -0.520 176.759 177.300 -0.034 0.000 1.205 29 P CA -0.148 62.942 63.100 -0.017 0.000 0.771 29 P CB 0.706 32.407 31.700 0.003 0.000 0.858 30 D N 0.696 121.072 120.400 -0.040 0.000 2.271 30 D HA -0.202 4.438 4.640 -0.000 0.000 0.207 30 D C 1.367 177.617 176.300 -0.085 0.000 0.983 30 D CA 1.455 55.419 54.000 -0.061 0.000 0.878 30 D CB -0.145 40.627 40.800 -0.046 0.000 0.920 30 D HN 0.533 nan 8.370 nan 0.000 0.479 31 D N -0.244 120.126 120.400 -0.050 0.000 2.234 31 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 31 D C 0.389 176.671 176.300 -0.030 0.000 0.962 31 D CA 0.535 54.516 54.000 -0.032 0.000 0.855 31 D CB -0.483 40.333 40.800 0.027 0.000 0.951 31 D HN 0.021 nan 8.370 nan 0.000 0.500 32 T N 1.174 115.721 114.554 -0.012 0.000 2.749 32 T HA 0.210 4.560 4.350 -0.000 0.000 0.295 32 T C -0.396 174.296 174.700 -0.013 0.000 0.936 32 T CA -0.344 61.794 62.100 0.063 0.000 1.060 32 T CB 0.703 69.606 68.868 0.059 0.000 0.904 32 T HN 0.104 nan 8.240 nan 0.000 0.500 33 H N 1.483 120.550 119.070 -0.005 0.000 2.505 33 H HA 0.524 5.079 4.556 -0.000 0.000 0.355 33 H C 0.179 175.482 175.328 -0.041 0.000 1.179 33 H CA -0.805 55.225 56.048 -0.030 0.000 1.343 33 H CB 0.595 30.336 29.762 -0.035 0.000 1.501 33 H HN 0.470 nan 8.280 nan 0.000 0.569 34 I N 2.121 122.735 120.570 0.074 0.000 2.389 34 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 34 I C -0.416 175.713 176.117 0.021 0.000 0.999 34 I CA -0.471 60.837 61.300 0.012 0.000 1.129 34 I CB 1.272 39.236 38.000 -0.059 0.000 1.288 34 I HN 0.375 nan 8.210 nan 0.000 0.444 35 M N 6.773 126.380 119.600 0.012 0.000 2.047 35 M HA 0.559 5.039 4.480 -0.000 0.000 0.342 35 M C -0.383 175.932 176.300 0.023 0.000 1.058 35 M CA -0.419 54.865 55.300 -0.028 0.000 0.991 35 M CB 0.962 33.495 32.600 -0.112 0.000 1.474 35 M HN 0.688 nan 8.290 nan 0.000 0.419 36 A N 4.953 127.778 122.820 0.009 0.000 2.409 36 A HA 0.517 4.837 4.320 -0.000 0.000 0.262 36 A C -0.483 177.087 177.584 -0.023 0.000 1.113 36 A CA -0.528 51.511 52.037 0.003 0.000 0.790 36 A CB 0.216 19.193 19.000 -0.038 0.000 1.046 36 A HN 0.691 nan 8.150 nan 0.000 0.496 37 V N 3.595 123.490 119.914 -0.032 0.000 2.364 37 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 37 V C 0.500 176.579 176.094 -0.026 0.000 1.036 37 V CA -0.085 62.217 62.300 0.003 0.000 0.880 37 V CB 1.196 33.068 31.823 0.082 0.000 0.991 37 V HN 0.658 nan 8.190 nan 0.000 0.460 38 V N 5.538 125.470 119.914 0.031 0.000 2.988 38 V HA 0.142 4.262 4.120 -0.000 0.000 0.356 38 V C 0.918 177.077 176.094 0.108 0.000 1.380 38 V CA -0.385 61.953 62.300 0.064 0.000 1.184 38 V CB 0.061 31.899 31.823 0.026 0.000 1.204 38 V HN 0.965 nan 8.190 nan 0.000 0.530 39 K N 0.969 121.473 120.400 0.173 0.000 2.230 39 K HA 0.577 4.897 4.320 -0.000 0.000 0.253 39 K C 0.683 177.420 176.600 0.229 0.000 1.008 39 K CA 0.337 56.724 56.287 0.167 0.000 0.910 39 K CB 0.477 33.090 32.500 0.189 0.000 0.994 39 K HN 0.483 nan 8.250 nan 0.000 0.495 40 A N 1.686 124.590 122.820 0.140 0.000 2.667 40 A HA -0.236 4.084 4.320 -0.000 0.000 0.298 40 A C 0.389 178.061 177.584 0.147 0.000 1.483 40 A CA 0.940 53.059 52.037 0.137 0.000 0.738 40 A CB -2.419 16.639 19.000 0.096 0.000 1.067 40 A HN 1.065 nan 8.150 nan 0.000 0.451 41 N N -2.098 116.675 118.700 0.122 0.000 2.727 41 N HA 0.045 4.785 4.740 -0.000 0.000 0.249 41 N C 0.458 176.080 175.510 0.187 0.000 1.048 41 N CA 2.381 55.515 53.050 0.139 0.000 0.714 41 N CB -1.610 36.965 38.487 0.148 0.000 0.959 41 N HN 2.406 nan 8.380 nan 0.000 0.544 42 A N 0.182 123.114 122.820 0.187 0.000 2.610 42 A HA -0.192 4.128 4.320 -0.000 0.000 0.299 42 A C 0.582 178.215 177.584 0.082 0.000 1.487 42 A CA 1.221 53.372 52.037 0.191 0.000 0.743 42 A CB -2.292 16.864 19.000 0.259 0.000 1.070 42 A HN 1.330 nan 8.150 nan 0.000 0.439 43 Y N -2.943 117.257 120.300 -0.167 0.000 3.589 43 Y HA -0.139 4.411 4.550 -0.000 0.000 0.218 43 Y C 1.927 177.748 175.900 -0.133 0.000 1.234 43 Y CA 1.825 59.758 58.100 -0.278 0.000 1.576 43 Y CB -1.903 36.082 38.460 -0.792 0.000 1.487 43 Y HN 2.421 nan 8.280 nan 0.000 0.616 44 G N -1.542 107.328 108.800 0.117 0.000 2.162 44 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.260 44 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.260 44 G C 0.596 175.606 174.900 0.183 0.000 0.976 44 G CA 0.789 45.933 45.100 0.072 0.000 0.655 44 G HN 0.651 nan 8.290 nan 0.000 0.533 45 H N -0.234 118.963 119.070 0.211 0.000 2.595 45 H HA 0.463 5.019 4.556 -0.000 0.000 0.265 45 H C 1.519 177.108 175.328 0.434 0.000 0.953 45 H CA 1.421 57.700 56.048 0.384 0.000 1.197 45 H CB 0.966 30.966 29.762 0.398 0.000 1.438 45 H HN 1.400 nan 8.280 nan 0.000 0.531 46 G N 1.480 110.556 108.800 0.459 0.000 3.306 46 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.672 46 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.672 46 G C 0.223 175.275 174.900 0.253 0.000 1.212 46 G CA -0.039 45.312 45.100 0.418 0.000 1.150 46 G HN 0.303 nan 8.290 nan 0.000 0.509 47 D N 1.372 121.873 120.400 0.168 0.000 2.103 47 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 47 D C 2.557 178.884 176.300 0.044 0.000 0.997 47 D CA 2.596 56.656 54.000 0.099 0.000 0.833 47 D CB -0.827 40.011 40.800 0.063 0.000 0.961 47 D HN 1.042 nan 8.370 nan 0.000 0.447 48 V N -0.492 119.426 119.914 0.007 0.000 2.307 48 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 48 V C 2.608 178.654 176.094 -0.080 0.000 1.045 48 V CA 1.824 64.101 62.300 -0.038 0.000 1.024 48 V CB -1.419 30.369 31.823 -0.058 0.000 0.651 48 V HN 0.022 nan 8.190 nan 0.000 0.449 49 Q N 0.580 120.283 119.800 -0.162 0.000 2.096 49 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 49 Q C 2.262 178.210 176.000 -0.086 0.000 0.982 49 Q CA 2.125 57.763 55.803 -0.276 0.000 0.850 49 Q CB -0.705 27.557 28.738 -0.794 0.000 0.901 49 Q HN 0.583 nan 8.270 nan 0.000 0.422 50 V N 0.159 120.085 119.914 0.019 0.000 2.407 50 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 50 V C 2.086 178.179 176.094 -0.001 0.000 1.041 50 V CA 1.394 63.725 62.300 0.052 0.000 1.040 50 V CB -0.979 30.924 31.823 0.133 0.000 0.671 50 V HN 0.409 nan 8.190 nan 0.000 0.455 51 A N 0.084 122.903 122.820 -0.002 0.000 1.883 51 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 51 A C 2.386 179.959 177.584 -0.018 0.000 1.186 51 A CA 2.259 54.287 52.037 -0.016 0.000 0.624 51 A CB -0.601 18.390 19.000 -0.014 0.000 0.822 51 A HN 0.447 nan 8.150 nan 0.000 0.444 52 R N -1.136 119.352 120.500 -0.020 0.000 2.080 52 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 52 R C 2.342 178.648 176.300 0.011 0.000 1.137 52 R CA 2.125 58.218 56.100 -0.012 0.000 0.943 52 R CB -0.660 29.623 30.300 -0.028 0.000 0.846 52 R HN 0.558 nan 8.270 nan 0.000 0.431 53 T N 0.405 114.968 114.554 0.016 0.000 2.720 53 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 53 T C 1.745 176.474 174.700 0.048 0.000 1.037 53 T CA 1.430 63.569 62.100 0.064 0.000 1.144 53 T CB -0.253 68.653 68.868 0.064 0.000 0.864 53 T HN 0.443 nan 8.240 nan 0.000 0.444 54 A N 1.015 123.827 122.820 -0.014 0.000 1.898 54 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 54 A C 2.280 179.831 177.584 -0.056 0.000 1.181 54 A CA 1.013 53.015 52.037 -0.058 0.000 0.620 54 A CB -0.743 18.216 19.000 -0.069 0.000 0.819 54 A HN 0.471 nan 8.150 nan 0.000 0.442 55 L N -0.614 120.594 121.223 -0.025 0.000 2.083 55 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 55 L C 2.503 179.370 176.870 -0.005 0.000 1.083 55 L CA 1.462 56.291 54.840 -0.018 0.000 0.752 55 L CB -0.519 41.536 42.059 -0.007 0.000 0.899 55 L HN 0.451 nan 8.230 nan 0.000 0.433 56 E N 0.057 120.280 120.200 0.037 0.000 2.150 56 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 56 E C 2.179 178.829 176.600 0.084 0.000 0.985 56 E CA 1.013 57.480 56.400 0.111 0.000 0.814 56 E CB -0.072 29.761 29.700 0.222 0.000 0.752 56 E HN 0.504 nan 8.360 nan 0.000 0.466 57 A N -0.151 122.590 122.820 -0.132 0.000 2.169 57 A HA 0.179 4.499 4.320 -0.000 0.000 0.212 57 A C 1.733 179.121 177.584 -0.326 0.000 1.153 57 A CA 1.177 52.873 52.037 -0.568 0.000 0.756 57 A CB 0.198 18.693 19.000 -0.841 0.000 0.813 57 A HN 0.367 nan 8.150 nan 0.000 0.471 58 G N -2.696 106.001 108.800 -0.171 0.000 2.672 58 G HA2 0.278 4.238 3.960 -0.000 0.000 0.197 58 G HA3 0.278 4.238 3.960 -0.000 0.000 0.197 58 G C 0.359 175.199 174.900 -0.100 0.000 0.995 58 G CA 0.014 45.034 45.100 -0.134 0.000 0.754 58 G HN 1.237 nan 8.290 nan 0.000 0.505 59 A N 0.843 123.612 122.820 -0.084 0.000 2.425 59 A HA 0.679 4.999 4.320 -0.000 0.000 0.249 59 A C 1.436 179.006 177.584 -0.023 0.000 1.084 59 A CA 1.135 53.145 52.037 -0.046 0.000 0.781 59 A CB 0.600 19.578 19.000 -0.037 0.000 1.019 59 A HN 1.324 nan 8.150 nan 0.000 0.490 60 S N 1.412 117.118 115.700 0.010 0.000 2.520 60 S HA 0.280 4.750 4.470 -0.000 0.000 0.219 60 S C 0.758 175.368 174.600 0.017 0.000 1.028 60 S CA -0.225 57.995 58.200 0.034 0.000 0.921 60 S CB 0.246 63.515 63.200 0.115 0.000 0.844 60 S HN 0.715 nan 8.310 nan 0.000 0.495 61 R N -0.034 120.462 120.500 -0.007 0.000 2.836 61 R HA 0.727 5.067 4.340 -0.000 0.000 0.269 61 R C -1.550 174.716 176.300 -0.057 0.000 1.010 61 R CA -0.734 55.337 56.100 -0.048 0.000 0.930 61 R CB 1.530 31.773 30.300 -0.096 0.000 1.218 61 R HN 0.138 nan 8.270 nan 0.000 0.473 62 L N 0.235 121.414 121.223 -0.073 0.000 2.309 62 L HA 0.863 5.203 4.340 -0.000 0.000 0.261 62 L C -0.729 176.087 176.870 -0.090 0.000 1.021 62 L CA -1.033 53.768 54.840 -0.066 0.000 0.823 62 L CB 2.191 44.220 42.059 -0.051 0.000 1.366 62 L HN 0.712 nan 8.230 nan 0.000 0.423 63 A N 1.061 123.841 122.820 -0.066 0.000 2.486 63 A HA 0.843 5.163 4.320 -0.000 0.000 0.300 63 A C -1.440 176.129 177.584 -0.026 0.000 1.048 63 A CA -0.455 51.542 52.037 -0.066 0.000 0.696 63 A CB 2.063 21.022 19.000 -0.068 0.000 1.278 63 A HN 0.361 nan 8.150 nan 0.000 0.405 64 V N 0.559 120.452 119.914 -0.034 0.000 3.141 64 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 64 V C 1.134 177.226 176.094 -0.004 0.000 1.157 64 V CA 0.297 62.575 62.300 -0.037 0.000 1.041 64 V CB 2.152 33.920 31.823 -0.091 0.000 1.071 64 V HN 1.397 nan 8.190 nan 0.000 0.441 65 A N 1.872 124.689 122.820 -0.005 0.000 1.943 65 A HA 0.449 4.769 4.320 -0.000 0.000 0.213 65 A C 0.325 178.061 177.584 0.253 0.000 1.181 65 A CA 1.144 53.265 52.037 0.141 0.000 0.653 65 A CB 0.007 19.170 19.000 0.271 0.000 0.833 65 A HN 0.972 nan 8.150 nan 0.000 0.451 66 F N -5.560 114.412 119.950 0.038 0.000 2.685 66 F HA 0.606 5.133 4.527 -0.000 0.000 0.315 66 F C 0.210 176.032 175.800 0.035 0.000 1.126 66 F CA -1.276 56.749 58.000 0.041 0.000 0.950 66 F CB 0.460 39.485 39.000 0.042 0.000 1.360 66 F HN -0.126 nan 8.300 nan 0.000 0.469 67 L N 1.487 122.827 121.223 0.195 0.000 2.081 67 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 67 L C 1.310 178.173 176.870 -0.012 0.000 1.080 67 L CA 2.228 57.113 54.840 0.075 0.000 0.754 67 L CB -1.090 41.041 42.059 0.121 0.000 0.893 67 L HN 0.782 nan 8.230 nan 0.000 0.433 68 D N -1.059 119.355 120.400 0.024 0.000 2.219 68 D HA -0.160 4.480 4.640 -0.000 0.000 0.205 68 D C 2.000 178.171 176.300 -0.215 0.000 0.970 68 D CA 1.133 55.112 54.000 -0.034 0.000 0.851 68 D CB -0.056 40.836 40.800 0.154 0.000 0.943 68 D HN 0.501 nan 8.370 nan 0.000 0.488 69 E N 0.379 120.272 120.200 -0.511 0.000 2.106 69 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 69 E C 2.083 178.563 176.600 -0.201 0.000 0.984 69 E CA 0.872 57.031 56.400 -0.402 0.000 0.806 69 E CB -0.035 29.328 29.700 -0.561 0.000 0.750 69 E HN 0.283 nan 8.360 nan 0.000 0.458 70 A N 1.163 123.881 122.820 -0.169 0.000 1.872 70 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 70 A C 2.172 179.715 177.584 -0.069 0.000 1.187 70 A CA 0.790 52.768 52.037 -0.098 0.000 0.614 70 A CB -0.559 18.393 19.000 -0.080 0.000 0.826 70 A HN 0.108 nan 8.150 nan 0.000 0.442 71 L N -0.581 120.606 121.223 -0.060 0.000 2.191 71 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 71 L C 2.961 179.811 176.870 -0.032 0.000 1.103 71 L CA 0.937 55.754 54.840 -0.038 0.000 0.769 71 L CB -0.469 41.576 42.059 -0.023 0.000 0.908 71 L HN 0.433 nan 8.230 nan 0.000 0.438 72 A N -0.079 122.715 122.820 -0.043 0.000 1.929 72 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 72 A C 2.260 179.830 177.584 -0.025 0.000 1.176 72 A CA 1.070 53.090 52.037 -0.028 0.000 0.628 72 A CB -0.465 18.514 19.000 -0.034 0.000 0.816 72 A HN 0.339 nan 8.150 nan 0.000 0.444 73 L N -1.052 120.150 121.223 -0.036 0.000 2.056 73 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 73 L C 2.803 179.660 176.870 -0.022 0.000 1.078 73 L CA 0.832 55.656 54.840 -0.028 0.000 0.749 73 L CB -0.406 41.632 42.059 -0.034 0.000 0.901 73 L HN 0.281 nan 8.230 nan 0.000 0.433 74 R N 0.073 120.558 120.500 -0.025 0.000 2.120 74 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 74 R C 1.956 178.249 176.300 -0.011 0.000 1.123 74 R CA 1.086 57.175 56.100 -0.018 0.000 0.975 74 R CB -0.378 29.908 30.300 -0.023 0.000 0.866 74 R HN 0.466 nan 8.270 nan 0.000 0.446 75 E N 0.732 120.926 120.200 -0.010 0.000 2.347 75 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 75 E C 0.729 177.328 176.600 -0.000 0.000 1.008 75 E CA 0.763 57.161 56.400 -0.003 0.000 0.852 75 E CB 0.233 29.933 29.700 -0.000 0.000 0.783 75 E HN 0.151 nan 8.360 nan 0.000 0.505 76 K N -1.170 119.228 120.400 -0.004 0.000 2.410 76 K HA 0.134 4.454 4.320 -0.000 0.000 0.200 76 K C 0.629 177.225 176.600 -0.008 0.000 1.023 76 K CA 0.423 56.707 56.287 -0.005 0.000 1.149 76 K CB 1.016 33.512 32.500 -0.007 0.000 0.859 76 K HN 0.218 nan 8.250 nan 0.000 0.514 77 G N 0.976 109.773 108.800 -0.006 0.000 2.176 77 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 77 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 77 G C 0.069 174.965 174.900 -0.006 0.000 0.986 77 G CA -0.513 44.584 45.100 -0.005 0.000 0.643 77 G HN 0.149 nan 8.290 nan 0.000 0.522 78 I N 1.315 121.879 120.570 -0.010 0.000 2.471 78 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 78 I C 1.031 177.143 176.117 -0.009 0.000 1.079 78 I CA 0.463 61.756 61.300 -0.012 0.000 1.398 78 I CB 1.018 39.008 38.000 -0.017 0.000 1.403 78 I HN 0.262 nan 8.210 nan 0.000 0.530 79 E N 3.722 123.920 120.200 -0.004 0.000 2.583 79 E HA 0.263 4.613 4.350 -0.000 0.000 0.213 79 E C 0.367 176.966 176.600 -0.001 0.000 0.989 79 E CA -0.248 56.153 56.400 0.001 0.000 0.991 79 E CB 1.040 30.745 29.700 0.009 0.000 1.040 79 E HN 0.760 nan 8.360 nan 0.000 0.481 80 A N 2.118 124.934 122.820 -0.008 0.000 2.332 80 A HA 0.407 4.727 4.320 -0.000 0.000 0.258 80 A C -2.350 175.221 177.584 -0.023 0.000 1.087 80 A CA -1.188 50.842 52.037 -0.012 0.000 0.802 80 A CB 0.011 19.003 19.000 -0.014 0.000 1.042 80 A HN -0.110 nan 8.150 nan 0.000 0.489 81 P HA 0.328 nan 4.420 nan 0.000 0.269 81 P C -1.024 176.234 177.300 -0.069 0.000 1.209 81 P CA 0.556 63.626 63.100 -0.050 0.000 0.776 81 P CB 0.347 32.008 31.700 -0.066 0.000 0.876 82 I N 2.636 123.159 120.570 -0.077 0.000 2.512 82 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 82 I C -0.793 175.253 176.117 -0.117 0.000 1.069 82 I CA -0.838 60.408 61.300 -0.091 0.000 1.056 82 I CB 1.794 39.753 38.000 -0.069 0.000 1.229 82 I HN 0.125 nan 8.210 nan 0.000 0.429 83 L N 8.051 129.176 121.223 -0.165 0.000 2.295 83 L HA 0.580 4.919 4.340 -0.000 0.000 0.285 83 L C -0.706 176.093 176.870 -0.119 0.000 1.035 83 L CA -0.314 54.402 54.840 -0.208 0.000 0.806 83 L CB 1.628 43.449 42.059 -0.396 0.000 1.214 83 L HN 0.331 nan 8.230 nan 0.000 0.426 84 V N 7.283 127.160 119.914 -0.062 0.000 2.408 84 V HA 0.122 4.242 4.120 -0.000 0.000 0.267 84 V C 1.271 177.390 176.094 0.042 0.000 1.047 84 V CA -0.115 62.185 62.300 -0.000 0.000 0.937 84 V CB 1.035 32.879 31.823 0.034 0.000 0.999 84 V HN 0.845 nan 8.190 nan 0.000 0.472 85 L N 4.231 125.492 121.223 0.063 0.000 2.313 85 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 85 L C 1.689 178.657 176.870 0.164 0.000 1.119 85 L CA 1.116 56.039 54.840 0.138 0.000 0.809 85 L CB -0.340 41.782 42.059 0.105 0.000 0.933 85 L HN 0.782 nan 8.230 nan 0.000 0.449 86 G N -0.725 108.160 108.800 0.142 0.000 2.695 86 G HA2 0.614 4.574 3.960 -0.000 0.000 0.213 86 G HA3 0.614 4.574 3.960 -0.000 0.000 0.213 86 G C -0.609 174.407 174.900 0.194 0.000 1.406 86 G CA 0.096 45.282 45.100 0.142 0.000 1.049 86 G HN 0.190 nan 8.290 nan 0.000 0.573 87 A N -1.051 121.891 122.820 0.204 0.000 2.269 87 A HA 0.782 5.102 4.320 -0.000 0.000 0.319 87 A C 0.270 177.963 177.584 0.181 0.000 1.110 87 A CA 0.283 52.456 52.037 0.226 0.000 0.847 87 A CB 0.950 20.135 19.000 0.309 0.000 1.161 87 A HN 1.684 nan 8.150 nan 0.000 0.497 88 S N -0.092 115.721 115.700 0.187 0.000 2.638 88 S HA 0.695 5.165 4.470 -0.000 0.000 0.274 88 S C -0.787 174.059 174.600 0.410 0.000 1.157 88 S CA -1.053 57.305 58.200 0.263 0.000 0.826 88 S CB 1.128 64.487 63.200 0.266 0.000 1.139 88 S HN 0.713 nan 8.310 nan 0.000 0.474 89 R N 0.624 121.301 120.500 0.296 0.000 2.357 89 R HA 0.360 4.700 4.340 -0.000 0.000 0.296 89 R C -2.051 174.300 176.300 0.085 0.000 1.052 89 R CA -1.988 54.232 56.100 0.200 0.000 0.988 89 R CB 0.178 30.534 30.300 0.093 0.000 1.025 89 R HN 0.414 nan 8.270 nan 0.000 0.469 90 P HA -0.199 nan 4.420 nan 0.000 0.218 90 P C 0.771 177.879 177.300 -0.321 0.000 1.148 90 P CA 1.321 63.983 63.100 -0.731 0.000 0.822 90 P CB 0.221 31.416 31.700 -0.841 0.000 0.784 91 A N -0.778 121.948 122.820 -0.156 0.000 2.172 91 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 91 A C 1.439 179.005 177.584 -0.030 0.000 1.154 91 A CA 1.453 53.448 52.037 -0.069 0.000 0.701 91 A CB -0.788 18.191 19.000 -0.036 0.000 0.789 91 A HN 0.085 nan 8.150 nan 0.000 0.465 92 D N -0.884 119.508 120.400 -0.013 0.000 2.398 92 D HA 0.318 4.958 4.640 -0.000 0.000 0.210 92 D C 1.749 178.042 176.300 -0.011 0.000 1.094 92 D CA 0.733 54.740 54.000 0.011 0.000 0.839 92 D CB 0.243 41.078 40.800 0.058 0.000 0.963 92 D HN 0.366 nan 8.370 nan 0.000 0.506 93 A N 0.968 123.762 122.820 -0.044 0.000 2.019 93 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 93 A C 2.254 179.644 177.584 -0.322 0.000 1.164 93 A CA 1.697 53.677 52.037 -0.096 0.000 0.644 93 A CB -0.273 18.669 19.000 -0.097 0.000 0.805 93 A HN 0.224 nan 8.150 nan 0.000 0.449 94 A N -0.677 121.969 122.820 -0.290 0.000 1.969 94 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 94 A C 2.082 179.553 177.584 -0.187 0.000 1.169 94 A CA 1.371 53.246 52.037 -0.269 0.000 0.635 94 A CB -0.375 18.660 19.000 0.058 0.000 0.810 94 A HN 0.446 nan 8.150 nan 0.000 0.445 95 L N -0.656 120.490 121.223 -0.129 0.000 2.072 95 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 95 L C 2.766 179.545 176.870 -0.151 0.000 1.079 95 L CA 1.913 56.684 54.840 -0.115 0.000 0.752 95 L CB -1.150 40.877 42.059 -0.052 0.000 0.906 95 L HN 0.419 nan 8.230 nan 0.000 0.436 96 A N -0.131 122.609 122.820 -0.134 0.000 1.902 96 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 96 A C 2.474 179.946 177.584 -0.186 0.000 1.181 96 A CA 1.774 53.738 52.037 -0.122 0.000 0.623 96 A CB -0.689 18.263 19.000 -0.080 0.000 0.818 96 A HN 0.500 nan 8.150 nan 0.000 0.443 97 A N -0.935 121.726 122.820 -0.265 0.000 1.858 97 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 97 A C 2.217 179.487 177.584 -0.524 0.000 1.190 97 A CA 1.794 53.657 52.037 -0.290 0.000 0.617 97 A CB -0.658 18.176 19.000 -0.276 0.000 0.827 97 A HN 0.622 nan 8.150 nan 0.000 0.443 98 Q N -1.265 118.058 119.800 -0.794 0.000 2.226 98 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 98 Q C 1.284 176.968 176.000 -0.527 0.000 0.975 98 Q CA 1.267 56.342 55.803 -1.213 0.000 0.866 98 Q CB -0.009 28.300 28.738 -0.715 0.000 0.915 98 Q HN 0.617 nan 8.270 nan 0.000 0.440 99 Q N -0.103 119.520 119.800 -0.295 0.000 2.282 99 Q HA 0.113 4.453 4.340 -0.000 0.000 0.206 99 Q C -0.401 175.547 176.000 -0.087 0.000 0.878 99 Q CA 0.010 55.729 55.803 -0.140 0.000 0.944 99 Q CB 0.635 29.310 28.738 -0.104 0.000 1.100 99 Q HN 0.344 nan 8.270 nan 0.000 0.509 100 R N 0.235 120.679 120.500 -0.093 0.000 3.422 100 R HA -0.176 4.163 4.340 -0.000 0.000 0.267 100 R C -0.628 175.663 176.300 -0.015 0.000 1.074 100 R CA 0.332 56.427 56.100 -0.009 0.000 0.718 100 R CB -2.408 27.916 30.300 0.041 0.000 1.157 100 R HN 0.167 nan 8.270 nan 0.000 0.440 101 I N 0.846 121.387 120.570 -0.049 0.000 2.354 101 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 101 I C 0.862 176.946 176.117 -0.054 0.000 0.989 101 I CA -0.289 60.981 61.300 -0.051 0.000 1.188 101 I CB 1.646 39.611 38.000 -0.058 0.000 1.342 101 I HN 0.262 nan 8.210 nan 0.000 0.457 102 A N 7.700 130.492 122.820 -0.046 0.000 2.340 102 A HA 0.744 5.063 4.320 -0.000 0.000 0.268 102 A C -0.532 177.025 177.584 -0.044 0.000 1.100 102 A CA -0.254 51.761 52.037 -0.037 0.000 0.803 102 A CB 0.359 19.361 19.000 0.004 0.000 1.043 102 A HN 0.683 nan 8.150 nan 0.000 0.488 103 L N 1.081 122.288 121.223 -0.026 0.000 2.342 103 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 103 L C 0.219 177.177 176.870 0.147 0.000 1.008 103 L CA -0.671 54.199 54.840 0.050 0.000 0.818 103 L CB 2.180 44.294 42.059 0.092 0.000 1.296 103 L HN 0.649 nan 8.230 nan 0.000 0.427 104 T N 1.607 116.216 114.554 0.092 0.000 2.869 104 T HA 0.386 4.736 4.350 -0.000 0.000 0.295 104 T C -0.504 174.110 174.700 -0.144 0.000 0.987 104 T CA -0.173 62.020 62.100 0.156 0.000 1.109 104 T CB 1.756 70.782 68.868 0.265 0.000 0.932 104 T HN 0.293 nan 8.240 nan 0.000 0.518 105 V N 5.039 124.864 119.914 -0.147 0.000 2.735 105 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 105 V C -0.873 175.073 176.094 -0.247 0.000 1.061 105 V CA -0.733 61.244 62.300 -0.538 0.000 0.913 105 V CB 1.489 32.968 31.823 -0.574 0.000 1.005 105 V HN 0.959 nan 8.190 nan 0.000 0.428 106 F N 3.264 123.066 119.950 -0.246 0.000 3.021 106 F HA 0.595 5.122 4.527 -0.000 0.000 0.376 106 F C 0.286 176.035 175.800 -0.086 0.000 1.075 106 F CA -0.732 57.181 58.000 -0.145 0.000 1.073 106 F CB 0.280 39.192 39.000 -0.147 0.000 1.243 106 F HN 0.284 nan 8.300 nan 0.000 0.540 107 R N 0.895 121.256 120.500 -0.232 0.000 2.628 107 R HA 0.399 4.739 4.340 -0.000 0.000 0.288 107 R C 0.885 177.168 176.300 -0.027 0.000 0.980 107 R CA 0.031 56.109 56.100 -0.038 0.000 0.891 107 R CB 1.999 32.309 30.300 0.016 0.000 1.188 107 R HN 0.170 nan 8.270 nan 0.000 0.450 108 S N 0.637 116.350 115.700 0.020 0.000 2.402 108 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 108 S C 1.235 175.870 174.600 0.058 0.000 1.021 108 S CA 1.642 59.861 58.200 0.031 0.000 0.974 108 S CB -0.201 63.016 63.200 0.029 0.000 0.800 108 S HN 0.758 nan 8.310 nan 0.000 0.484 109 D N -0.093 120.346 120.400 0.065 0.000 2.264 109 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 109 D C 1.419 177.764 176.300 0.075 0.000 0.966 109 D CA 0.487 54.523 54.000 0.061 0.000 0.864 109 D CB -0.946 39.886 40.800 0.052 0.000 0.933 109 D HN 0.651 nan 8.370 nan 0.000 0.499 110 W N 1.137 122.366 121.300 -0.117 0.000 2.354 110 W HA -0.010 4.650 4.660 -0.000 0.000 0.315 110 W C 2.023 178.459 176.519 -0.138 0.000 1.206 110 W CA 1.309 58.559 57.345 -0.158 0.000 1.290 110 W CB -0.304 28.980 29.460 -0.293 0.000 1.152 110 W HN -0.072 nan 8.180 nan 0.000 0.489 111 L N 0.239 121.588 121.223 0.211 0.000 2.017 111 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 111 L C 2.455 179.378 176.870 0.088 0.000 1.073 111 L CA 1.867 56.771 54.840 0.107 0.000 0.745 111 L CB -0.972 41.134 42.059 0.078 0.000 0.894 111 L HN 0.015 nan 8.230 nan 0.000 0.432 112 E N -0.284 119.955 120.200 0.066 0.000 2.097 112 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 112 E C 2.125 178.733 176.600 0.015 0.000 1.000 112 E CA 1.592 58.025 56.400 0.055 0.000 0.804 112 E CB 0.002 29.723 29.700 0.035 0.000 0.740 112 E HN 0.444 nan 8.360 nan 0.000 0.454 113 E N -0.495 119.665 120.200 -0.067 0.000 2.112 113 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 113 E C 1.952 178.455 176.600 -0.161 0.000 0.979 113 E CA 0.631 56.955 56.400 -0.127 0.000 0.814 113 E CB 0.040 29.620 29.700 -0.200 0.000 0.762 113 E HN 0.222 nan 8.360 nan 0.000 0.460 114 A N 0.364 123.023 122.820 -0.269 0.000 1.930 114 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 114 A C 2.271 179.967 177.584 0.186 0.000 1.175 114 A CA 1.329 53.244 52.037 -0.203 0.000 0.627 114 A CB -0.323 18.369 19.000 -0.514 0.000 0.815 114 A HN 0.139 nan 8.150 nan 0.000 0.443 115 S N -0.193 115.658 115.700 0.252 0.000 2.400 115 S HA -0.057 4.413 4.470 -0.000 0.000 0.232 115 S C 2.154 176.857 174.600 0.172 0.000 1.025 115 S CA 1.169 59.506 58.200 0.228 0.000 0.993 115 S CB -0.298 63.039 63.200 0.229 0.000 0.808 115 S HN 0.778 nan 8.310 nan 0.000 0.478 116 A N 0.690 123.571 122.820 0.100 0.000 1.930 116 A HA 0.215 4.535 4.320 -0.000 0.000 0.215 116 A C 1.986 179.610 177.584 0.066 0.000 1.176 116 A CA 0.662 52.736 52.037 0.061 0.000 0.632 116 A CB -0.327 18.689 19.000 0.026 0.000 0.819 116 A HN 0.437 nan 8.150 nan 0.000 0.445 117 L N -2.341 118.932 121.223 0.083 0.000 2.270 117 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 117 L C 0.488 177.469 176.870 0.186 0.000 1.104 117 L CA 0.568 55.465 54.840 0.095 0.000 0.804 117 L CB -0.015 42.074 42.059 0.049 0.000 0.937 117 L HN 0.491 nan 8.230 nan 0.000 0.450 118 Y N -1.330 119.023 120.300 0.090 0.000 2.341 118 Y HA 0.249 4.799 4.550 -0.000 0.000 0.338 118 Y C 0.774 176.782 175.900 0.180 0.000 0.965 118 Y CA -0.604 57.572 58.100 0.127 0.000 1.108 118 Y CB 1.934 40.506 38.460 0.187 0.000 1.180 118 Y HN -0.262 nan 8.280 nan 0.000 0.458 119 S N 2.293 117.785 115.700 -0.347 0.000 2.524 119 S HA 0.553 5.023 4.470 -0.000 0.000 0.222 119 S C 0.288 174.554 174.600 -0.557 0.000 1.040 119 S CA 0.513 58.550 58.200 -0.272 0.000 0.915 119 S CB 0.347 63.448 63.200 -0.165 0.000 0.831 119 S HN 1.188 nan 8.310 nan 0.000 0.492 120 G N 1.493 109.579 108.800 -1.189 0.000 2.339 120 G HA2 0.139 4.099 3.960 -0.000 0.000 0.275 120 G HA3 0.139 4.099 3.960 -0.000 0.000 0.275 120 G C -2.745 171.789 174.900 -0.609 0.000 1.323 120 G CA -0.154 44.143 45.100 -1.338 0.000 0.927 120 G HN -0.042 nan 8.290 nan 0.000 0.486 121 P HA 0.314 nan 4.420 nan 0.000 0.259 121 P C 0.057 177.252 177.300 -0.175 0.000 1.233 121 P CA 0.088 62.968 63.100 -0.367 0.000 0.827 121 P CB 0.241 31.779 31.700 -0.271 0.000 1.154 122 F N 3.373 123.351 119.950 0.047 0.000 2.418 122 F HA 0.337 4.864 4.527 -0.000 0.000 0.341 122 F C -1.522 174.412 175.800 0.223 0.000 1.120 122 F CA -2.415 55.670 58.000 0.142 0.000 1.232 122 F CB -0.292 38.798 39.000 0.150 0.000 1.175 122 F HN -0.113 nan 8.300 nan 0.000 0.569 123 P HA 0.371 nan 4.420 nan 0.000 0.279 123 P C -0.832 176.464 177.300 -0.007 0.000 1.252 123 P CA -0.182 63.030 63.100 0.186 0.000 0.811 123 P CB 1.459 33.144 31.700 -0.025 0.000 1.035 124 I N 1.730 122.246 120.570 -0.089 0.000 2.418 124 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 124 I C 0.083 175.812 176.117 -0.647 0.000 1.008 124 I CA -0.771 60.296 61.300 -0.388 0.000 1.104 124 I CB 1.041 38.725 38.000 -0.527 0.000 1.264 124 I HN 0.321 nan 8.210 nan 0.000 0.438 125 H N 5.712 124.541 119.070 -0.401 0.000 2.604 125 H HA 0.430 4.986 4.556 -0.000 0.000 0.306 125 H C -1.022 174.052 175.328 -0.422 0.000 1.075 125 H CA -0.081 55.798 56.048 -0.281 0.000 1.357 125 H CB 0.742 30.464 29.762 -0.068 0.000 1.426 125 H HN 0.321 nan 8.280 nan 0.000 0.470 126 F N 1.779 121.820 119.950 0.151 0.000 2.450 126 F HA 0.284 4.811 4.527 -0.000 0.000 0.332 126 F C 0.531 176.397 175.800 0.111 0.000 1.093 126 F CA -0.566 57.488 58.000 0.090 0.000 1.003 126 F CB 1.157 40.134 39.000 -0.038 0.000 1.151 126 F HN 0.528 nan 8.300 nan 0.000 0.474 127 H N 3.626 122.862 119.070 0.277 0.000 2.587 127 H HA 0.312 4.868 4.556 -0.000 0.000 0.325 127 H C -0.576 174.915 175.328 0.271 0.000 1.012 127 H CA -0.861 55.353 56.048 0.275 0.000 1.213 127 H CB 2.343 32.271 29.762 0.277 0.000 1.431 127 H HN 0.456 nan 8.280 nan 0.000 0.492 131 D N 2.349 122.695 120.400 -0.090 0.000 2.339 131 D HA 0.289 4.929 4.640 -0.000 0.000 0.241 131 D C 0.441 176.714 176.300 -0.045 0.000 1.183 131 D CA 0.376 54.329 54.000 -0.078 0.000 0.859 131 D CB 1.148 41.925 40.800 -0.038 0.000 1.067 131 D HN 0.683 nan 8.370 nan 0.000 0.484 132 T N 0.646 115.156 114.554 -0.073 0.000 3.269 132 T HA 0.484 4.834 4.350 -0.000 0.000 0.269 132 T C 1.019 175.700 174.700 -0.032 0.000 0.993 132 T CA 0.108 62.152 62.100 -0.093 0.000 0.909 132 T CB 0.045 68.823 68.868 -0.151 0.000 1.115 132 T HN 0.465 nan 8.240 nan 0.000 0.543 133 G N 0.834 109.695 108.800 0.101 0.000 2.273 133 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.162 133 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.162 133 G C 0.713 175.804 174.900 0.319 0.000 1.006 133 G CA 0.208 45.464 45.100 0.260 0.000 0.704 133 G HN 0.331 nan 8.290 nan 0.000 0.487 134 M N 0.840 120.550 119.600 0.183 0.000 2.435 134 M HA 0.245 4.725 4.480 -0.000 0.000 0.265 134 M C 2.085 178.441 176.300 0.093 0.000 1.104 134 M CA 2.012 57.408 55.300 0.160 0.000 1.140 134 M CB -0.590 32.084 32.600 0.123 0.000 1.372 134 M HN 1.277 nan 8.290 nan 0.000 0.456 135 G N 1.120 109.956 108.800 0.061 0.000 2.166 135 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 135 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 135 G C 0.952 175.834 174.900 -0.030 0.000 0.986 135 G CA 1.222 46.335 45.100 0.021 0.000 0.683 135 G HN 0.474 nan 8.290 nan 0.000 0.527 136 R N -0.965 119.500 120.500 -0.057 0.000 1.950 136 R HA 0.643 4.983 4.340 -0.000 0.000 0.197 136 R C 1.052 177.219 176.300 -0.222 0.000 1.471 136 R CA 0.385 56.417 56.100 -0.112 0.000 1.156 136 R CB 0.026 30.272 30.300 -0.090 0.000 0.905 136 R HN 0.339 nan 8.270 nan 0.000 0.489 137 L N -0.867 120.171 121.223 -0.308 0.000 2.271 137 L HA 0.621 4.961 4.340 -0.000 0.000 0.265 137 L C -0.343 176.282 176.870 -0.408 0.000 1.013 137 L CA -0.560 53.937 54.840 -0.571 0.000 0.820 137 L CB 2.084 43.654 42.059 -0.815 0.000 1.352 137 L HN 0.747 nan 8.230 nan 0.000 0.443 138 G N -0.136 108.425 108.800 -0.398 0.000 2.465 138 G HA2 0.048 4.008 3.960 -0.000 0.000 0.681 138 G HA3 0.048 4.008 3.960 -0.000 0.000 0.681 138 G C -1.830 173.076 174.900 0.009 0.000 1.340 138 G CA -0.778 44.243 45.100 -0.132 0.000 0.884 138 G HN 0.414 nan 8.290 nan 0.000 0.650 139 V N 0.973 120.927 119.914 0.067 0.000 2.686 139 V HA 0.702 4.822 4.120 -0.000 0.000 0.295 139 V C 1.097 177.270 176.094 0.131 0.000 1.057 139 V CA 0.483 62.852 62.300 0.115 0.000 1.012 139 V CB 1.651 33.553 31.823 0.132 0.000 1.006 139 V HN 0.917 nan 8.190 nan 0.000 0.477 140 K N 1.891 122.384 120.400 0.156 0.000 2.474 140 K HA 0.195 4.515 4.320 -0.000 0.000 0.202 140 K C 0.168 176.942 176.600 0.289 0.000 1.248 140 K CA -0.038 56.362 56.287 0.189 0.000 0.946 140 K CB 0.393 32.964 32.500 0.118 0.000 1.102 140 K HN 0.902 nan 8.250 nan 0.000 0.541 141 D N -0.288 120.219 120.400 0.179 0.000 2.272 141 D HA 0.007 4.647 4.640 -0.000 0.000 0.247 141 D C 0.342 176.421 176.300 -0.369 0.000 0.990 141 D CA -0.269 53.724 54.000 -0.012 0.000 0.931 141 D CB 1.978 42.750 40.800 -0.046 0.000 1.195 141 D HN -0.007 nan 8.370 nan 0.000 0.477 142 E N 0.760 120.353 120.200 -1.011 0.000 2.051 142 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 142 E C 1.401 177.643 176.600 -0.596 0.000 0.991 142 E CA 1.156 56.665 56.400 -1.485 0.000 0.799 142 E CB 0.151 28.978 29.700 -1.455 0.000 0.748 142 E HN 0.584 nan 8.360 nan 0.000 0.449 143 E N -0.297 119.684 120.200 -0.366 0.000 2.427 143 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 143 E C 1.729 178.265 176.600 -0.106 0.000 1.028 143 E CA 0.271 56.553 56.400 -0.197 0.000 0.864 143 E CB 0.277 29.887 29.700 -0.150 0.000 0.813 143 E HN 0.170 nan 8.360 nan 0.000 0.514 144 E N -0.429 119.718 120.200 -0.089 0.000 2.122 144 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 144 E C 1.839 178.447 176.600 0.013 0.000 0.977 144 E CA 0.884 57.274 56.400 -0.017 0.000 0.820 144 E CB 0.112 29.824 29.700 0.019 0.000 0.770 144 E HN 0.191 nan 8.360 nan 0.000 0.462 145 T N 1.326 115.899 114.554 0.032 0.000 2.701 145 T HA -0.103 4.247 4.350 -0.000 0.000 0.263 145 T C 1.856 176.595 174.700 0.065 0.000 1.040 145 T CA 1.133 63.301 62.100 0.112 0.000 1.147 145 T CB -0.046 69.004 68.868 0.303 0.000 0.865 145 T HN 0.120 nan 8.240 nan 0.000 0.426 146 K N 0.644 121.055 120.400 0.018 0.000 2.074 146 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 146 K C 2.571 179.179 176.600 0.014 0.000 1.048 146 K CA 0.857 57.149 56.287 0.009 0.000 0.926 146 K CB -0.126 32.351 32.500 -0.038 0.000 0.713 146 K HN 0.019 nan 8.250 nan 0.000 0.444 147 R N 1.218 121.720 120.500 0.005 0.000 2.115 147 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 147 R C 2.077 178.395 176.300 0.030 0.000 1.111 147 R CA 1.056 57.165 56.100 0.014 0.000 0.976 147 R CB -0.333 29.971 30.300 0.006 0.000 0.870 147 R HN 0.260 nan 8.270 nan 0.000 0.445 148 I N -0.248 120.338 120.570 0.027 0.000 2.193 148 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 148 I C 2.324 178.463 176.117 0.038 0.000 1.084 148 I CA 0.769 62.079 61.300 0.016 0.000 1.365 148 I CB -0.279 37.721 38.000 0.000 0.000 1.064 148 I HN -0.117 nan 8.210 nan 0.000 0.410 149 V N 1.245 121.188 119.914 0.050 0.000 2.282 149 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 149 V C 2.722 178.862 176.094 0.076 0.000 1.057 149 V CA 2.229 64.569 62.300 0.066 0.000 1.032 149 V CB -1.067 30.793 31.823 0.062 0.000 0.645 149 V HN 0.522 nan 8.190 nan 0.000 0.447 150 A N -0.722 122.136 122.820 0.062 0.000 1.902 150 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 150 A C 2.206 179.843 177.584 0.089 0.000 1.181 150 A CA 1.904 53.978 52.037 0.063 0.000 0.623 150 A CB -0.568 18.457 19.000 0.042 0.000 0.818 150 A HN 0.504 nan 8.150 nan 0.000 0.443 151 L N -0.763 120.520 121.223 0.101 0.000 2.275 151 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 151 L C 2.310 179.336 176.870 0.260 0.000 1.119 151 L CA 0.683 55.615 54.840 0.153 0.000 0.790 151 L CB -0.191 41.951 42.059 0.139 0.000 0.919 151 L HN 0.416 nan 8.230 nan 0.000 0.443 152 I N -1.051 119.659 120.570 0.233 0.000 2.339 152 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 152 I C 2.380 178.670 176.117 0.289 0.000 1.096 152 I CA 0.616 62.121 61.300 0.342 0.000 1.408 152 I CB 0.071 38.206 38.000 0.224 0.000 1.092 152 I HN 0.140 nan 8.210 nan 0.000 0.423 153 E N 0.972 121.280 120.200 0.180 0.000 2.085 153 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 153 E C 2.206 178.867 176.600 0.101 0.000 0.994 153 E CA 1.267 57.742 56.400 0.126 0.000 0.801 153 E CB -0.196 29.555 29.700 0.086 0.000 0.743 153 E HN 0.172 nan 8.360 nan 0.000 0.453 154 R N -0.332 120.227 120.500 0.099 0.000 2.189 154 R HA -0.101 4.238 4.340 -0.000 0.000 0.223 154 R C 0.331 176.646 176.300 0.025 0.000 1.092 154 R CA 0.618 56.750 56.100 0.052 0.000 0.989 154 R CB -0.054 30.279 30.300 0.055 0.000 0.876 154 R HN 0.199 nan 8.270 nan 0.000 0.457 155 H N 1.095 120.138 119.070 -0.045 0.000 2.489 155 H HA 0.166 4.722 4.556 -0.000 0.000 0.322 155 H C -1.745 173.478 175.328 -0.176 0.000 1.091 155 H CA -2.274 53.649 56.048 -0.208 0.000 1.291 155 H CB 2.134 31.563 29.762 -0.554 0.000 1.436 155 H HN -0.023 nan 8.280 nan 0.000 0.480 156 P HA -0.126 nan 4.420 nan 0.000 0.218 156 P C 0.239 177.326 177.300 -0.355 0.000 1.148 156 P CA 1.454 64.328 63.100 -0.377 0.000 0.822 156 P CB 0.371 31.687 31.700 -0.639 0.000 0.784 157 H N -3.055 116.200 119.070 0.308 0.000 2.586 157 H HA 0.225 4.781 4.556 -0.000 0.000 0.273 157 H C 0.179 175.806 175.328 0.498 0.000 0.997 157 H CA -0.396 55.862 56.048 0.350 0.000 1.177 157 H CB -0.130 29.860 29.762 0.381 0.000 1.471 157 H HN 0.013 nan 8.280 nan 0.000 0.538 158 F N 1.728 121.887 119.950 0.348 0.000 2.410 158 F HA 0.389 4.916 4.527 -0.000 0.000 0.349 158 F C 0.128 176.073 175.800 0.242 0.000 1.117 158 F CA -1.593 56.601 58.000 0.324 0.000 1.104 158 F CB 1.006 40.208 39.000 0.336 0.000 1.122 158 F HN -0.251 nan 8.300 nan 0.000 0.483 159 V N 5.119 125.253 119.914 0.367 0.000 2.588 159 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 159 V C -0.752 175.512 176.094 0.283 0.000 1.042 159 V CA -0.896 61.559 62.300 0.257 0.000 0.877 159 V CB 2.368 34.294 31.823 0.173 0.000 0.996 159 V HN 0.456 nan 8.190 nan 0.000 0.425 160 L N 3.563 124.921 121.223 0.224 0.000 2.270 160 L HA 0.429 4.768 4.340 -0.000 0.000 0.286 160 L C 1.130 178.039 176.870 0.065 0.000 1.059 160 L CA 0.647 55.584 54.840 0.161 0.000 0.839 160 L CB 0.663 42.793 42.059 0.119 0.000 1.221 160 L HN 0.862 nan 8.230 nan 0.000 0.431 161 E N 2.831 123.021 120.200 -0.017 0.000 2.190 161 E HA 0.216 4.566 4.350 -0.000 0.000 0.191 161 E C 0.521 176.929 176.600 -0.320 0.000 0.978 161 E CA 0.628 56.943 56.400 -0.141 0.000 0.839 161 E CB 0.382 30.000 29.700 -0.137 0.000 0.787 161 E HN 0.783 nan 8.360 nan 0.000 0.473 162 G N 0.251 108.738 108.800 -0.522 0.000 2.663 162 G HA2 0.517 4.477 3.960 -0.000 0.000 0.299 162 G HA3 0.517 4.477 3.960 -0.000 0.000 0.299 162 G C -1.693 173.164 174.900 -0.071 0.000 1.372 162 G CA -0.507 44.399 45.100 -0.322 0.000 0.781 162 G HN 0.223 nan 8.290 nan 0.000 0.491 163 L N -1.318 119.969 121.223 0.106 0.000 2.582 163 L HA 0.936 5.276 4.340 -0.000 0.000 0.257 163 L C -1.519 175.448 176.870 0.162 0.000 0.974 163 L CA -1.140 53.803 54.840 0.172 0.000 0.851 163 L CB 2.323 44.431 42.059 0.081 0.000 1.424 163 L HN 1.273 nan 8.230 nan 0.000 0.412 164 Y N -0.745 119.454 120.300 -0.168 0.000 2.713 164 Y HA 0.880 5.430 4.550 -0.000 0.000 0.335 164 Y C -1.161 174.484 175.900 -0.426 0.000 1.222 164 Y CA -0.661 57.187 58.100 -0.419 0.000 1.061 164 Y CB 1.289 39.158 38.460 -0.985 0.000 1.314 164 Y HN 0.828 nan 8.280 nan 0.000 0.453 165 T N -0.108 114.033 114.554 -0.688 0.000 2.838 165 T HA 0.520 4.870 4.350 -0.000 0.000 0.292 165 T C -2.375 172.007 174.700 -0.531 0.000 1.113 165 T CA -0.505 61.138 62.100 -0.762 0.000 1.008 165 T CB 1.261 69.461 68.868 -1.112 0.000 1.259 165 T HN 0.972 nan 8.240 nan 0.000 0.520 166 H N 0.648 119.406 119.070 -0.520 0.000 2.759 166 H HA 0.598 5.154 4.556 -0.000 0.000 0.354 166 H C -1.500 173.717 175.328 -0.184 0.000 1.074 166 H CA -0.685 55.163 56.048 -0.332 0.000 1.226 166 H CB 0.453 30.143 29.762 -0.119 0.000 1.648 166 H HN 0.332 nan 8.280 nan 0.000 0.529 167 F N 3.483 123.219 119.950 -0.356 0.000 2.420 167 F HA 0.365 4.891 4.527 -0.000 0.000 0.352 167 F C 1.427 177.127 175.800 -0.167 0.000 1.108 167 F CA -0.112 57.807 58.000 -0.134 0.000 1.162 167 F CB 1.093 40.131 39.000 0.064 0.000 1.118 167 F HN 0.790 nan 8.300 nan 0.000 0.510 168 A N 2.034 125.004 122.820 0.250 0.000 1.929 168 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 168 A C 1.507 179.192 177.584 0.168 0.000 1.176 168 A CA 1.737 53.899 52.037 0.209 0.000 0.628 168 A CB -0.742 18.449 19.000 0.317 0.000 0.816 168 A HN 0.735 nan 8.150 nan 0.000 0.444 169 T N -4.516 110.169 114.554 0.219 0.000 3.380 169 T HA 0.599 4.949 4.350 -0.000 0.000 0.289 169 T C 0.939 175.657 174.700 0.030 0.000 1.012 169 T CA 0.477 62.659 62.100 0.137 0.000 0.944 169 T CB 0.453 69.446 68.868 0.208 0.000 1.172 169 T HN 0.406 nan 8.240 nan 0.000 0.502 170 A N 2.203 125.000 122.820 -0.038 0.000 2.121 170 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 170 A C 2.010 179.498 177.584 -0.159 0.000 1.154 170 A CA 1.273 53.151 52.037 -0.265 0.000 0.679 170 A CB -0.363 18.537 19.000 -0.167 0.000 0.795 170 A HN 0.695 nan 8.150 nan 0.000 0.458 171 D N 0.098 120.471 120.400 -0.045 0.000 2.323 171 D HA -0.022 4.618 4.640 -0.000 0.000 0.209 171 D C 0.341 176.629 176.300 -0.020 0.000 0.973 171 D CA 0.175 54.164 54.000 -0.018 0.000 0.874 171 D CB -0.463 40.361 40.800 0.040 0.000 0.930 171 D HN 0.512 nan 8.370 nan 0.000 0.521 172 E N 0.784 120.977 120.200 -0.012 0.000 2.257 172 E HA 0.121 4.471 4.350 -0.000 0.000 0.278 172 E C 1.197 177.804 176.600 0.012 0.000 1.049 172 E CA -0.400 56.005 56.400 0.008 0.000 0.876 172 E CB 2.014 31.733 29.700 0.031 0.000 1.035 172 E HN -0.163 nan 8.360 nan 0.000 0.419 173 V N 3.708 123.628 119.914 0.010 0.000 2.277 173 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 173 V C 1.227 177.350 176.094 0.049 0.000 1.067 173 V CA 1.714 64.023 62.300 0.016 0.000 1.047 173 V CB -0.671 31.158 31.823 0.010 0.000 0.649 173 V HN 0.771 nan 8.190 nan 0.000 0.447 174 N N 1.373 120.104 118.700 0.051 0.000 2.406 174 N HA -0.033 4.707 4.740 -0.000 0.000 0.265 174 N C 0.891 176.467 175.510 0.110 0.000 1.203 174 N CA 0.507 53.599 53.050 0.070 0.000 0.945 174 N CB 0.633 39.151 38.487 0.052 0.000 1.165 174 N HN 0.577 nan 8.380 nan 0.000 0.485 175 T N 0.012 114.651 114.554 0.143 0.000 3.272 175 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 175 T C 0.462 175.274 174.700 0.185 0.000 1.082 175 T CA -0.035 62.195 62.100 0.217 0.000 0.968 175 T CB 0.026 69.049 68.868 0.259 0.000 1.015 175 T HN 0.392 nan 8.240 nan 0.000 0.563 176 D N 0.106 120.601 120.400 0.158 0.000 2.194 176 D HA 0.019 4.659 4.640 -0.000 0.000 0.204 176 D C 1.179 177.608 176.300 0.215 0.000 0.964 176 D CA 0.682 54.768 54.000 0.144 0.000 0.846 176 D CB -0.159 40.707 40.800 0.110 0.000 0.962 176 D HN 0.450 nan 8.370 nan 0.000 0.490 177 Y N -0.388 119.982 120.300 0.117 0.000 2.397 177 Y HA 0.015 4.565 4.550 -0.000 0.000 0.292 177 Y C 1.708 177.730 175.900 0.203 0.000 1.115 177 Y CA 0.352 58.549 58.100 0.163 0.000 1.208 177 Y CB -0.193 38.345 38.460 0.130 0.000 1.046 177 Y HN -0.084 nan 8.280 nan 0.000 0.552 178 F N 0.757 120.711 119.950 0.006 0.000 2.069 178 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 178 F C 2.404 178.037 175.800 -0.279 0.000 1.113 178 F CA 2.053 59.909 58.000 -0.239 0.000 1.214 178 F CB -0.919 37.934 39.000 -0.246 0.000 0.978 178 F HN 0.003 nan 8.300 nan 0.000 0.474 179 S N -0.823 114.704 115.700 -0.288 0.000 2.447 179 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 179 S C 1.786 176.279 174.600 -0.178 0.000 1.006 179 S CA 0.962 58.950 58.200 -0.355 0.000 0.957 179 S CB -1.140 61.932 63.200 -0.213 0.000 0.773 179 S HN 0.668 nan 8.310 nan 0.000 0.507 180 Y N 2.100 122.276 120.300 -0.207 0.000 2.286 180 Y HA 0.029 4.579 4.550 -0.000 0.000 0.293 180 Y C 2.290 178.061 175.900 -0.214 0.000 1.124 180 Y CA 1.143 59.129 58.100 -0.190 0.000 1.178 180 Y CB -0.477 37.857 38.460 -0.209 0.000 1.010 180 Y HN 0.180 nan 8.280 nan 0.000 0.536 181 Q N -1.189 118.315 119.800 -0.495 0.000 2.083 181 Q HA -0.213 4.127 4.340 -0.000 0.000 0.198 181 Q C 2.016 177.916 176.000 -0.167 0.000 0.969 181 Q CA 1.721 57.286 55.803 -0.396 0.000 0.838 181 Q CB -0.500 28.194 28.738 -0.073 0.000 0.900 181 Q HN 0.627 nan 8.270 nan 0.000 0.436 182 Y N 1.261 121.351 120.300 -0.350 0.000 2.165 182 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 182 Y C 2.347 178.190 175.900 -0.096 0.000 1.155 182 Y CA 1.832 59.808 58.100 -0.206 0.000 1.164 182 Y CB -0.206 37.879 38.460 -0.626 0.000 0.978 182 Y HN 0.019 nan 8.280 nan 0.000 0.513 183 T N 0.398 114.874 114.554 -0.130 0.000 2.777 183 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 183 T C 2.043 176.621 174.700 -0.203 0.000 1.040 183 T CA 1.054 63.074 62.100 -0.133 0.000 1.141 183 T CB -0.164 68.647 68.868 -0.096 0.000 0.868 183 T HN 0.174 nan 8.240 nan 0.000 0.444 184 R N 0.149 120.443 120.500 -0.342 0.000 2.091 184 R HA -0.055 4.284 4.340 -0.000 0.000 0.238 184 R C 2.190 178.358 176.300 -0.220 0.000 1.136 184 R CA 1.188 57.064 56.100 -0.373 0.000 0.959 184 R CB -0.854 29.095 30.300 -0.586 0.000 0.856 184 R HN 0.374 nan 8.270 nan 0.000 0.437 185 F N 1.469 121.208 119.950 -0.350 0.000 2.051 185 F HA -0.148 4.379 4.527 -0.000 0.000 0.296 185 F C 2.214 177.793 175.800 -0.369 0.000 1.122 185 F CA 1.259 59.048 58.000 -0.351 0.000 1.201 185 F CB -0.795 38.020 39.000 -0.308 0.000 0.978 185 F HN -0.068 nan 8.300 nan 0.000 0.472 186 L N -0.578 120.430 121.223 -0.358 0.000 2.189 186 L HA -0.303 4.037 4.340 -0.000 0.000 0.214 186 L C 2.683 179.351 176.870 -0.336 0.000 1.097 186 L CA 1.718 56.320 54.840 -0.396 0.000 0.764 186 L CB -0.850 41.071 42.059 -0.229 0.000 0.900 186 L HN 0.343 nan 8.230 nan 0.000 0.436 187 H N -0.198 118.634 119.070 -0.397 0.000 2.384 187 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 187 H C 2.250 177.165 175.328 -0.689 0.000 1.057 187 H CA 1.167 56.978 56.048 -0.394 0.000 1.370 187 H CB 0.210 29.799 29.762 -0.289 0.000 1.417 187 H HN 0.274 nan 8.280 nan 0.000 0.527 188 M N 0.007 119.205 119.600 -0.670 0.000 2.296 188 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 188 M C 1.948 177.727 176.300 -0.868 0.000 1.064 188 M CA 0.443 54.998 55.300 -1.242 0.000 1.109 188 M CB 0.036 32.095 32.600 -0.903 0.000 1.396 188 M HN 0.108 nan 8.290 nan 0.000 0.430 189 L N 0.532 121.342 121.223 -0.689 0.000 2.353 189 L HA -0.149 4.191 4.340 -0.000 0.000 0.220 189 L C 2.130 178.788 176.870 -0.353 0.000 1.133 189 L CA 1.634 56.140 54.840 -0.557 0.000 0.798 189 L CB -0.911 40.730 42.059 -0.697 0.000 0.922 189 L HN 0.264 nan 8.230 nan 0.000 0.445 190 E N -2.276 117.701 120.200 -0.371 0.000 2.489 190 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 190 E C 1.485 178.109 176.600 0.040 0.000 1.057 190 E CA 0.192 56.480 56.400 -0.187 0.000 0.866 190 E CB -0.028 29.537 29.700 -0.226 0.000 0.916 190 E HN 0.505 nan 8.360 nan 0.000 0.500 191 W N 0.661 121.899 121.300 -0.102 0.000 3.139 191 W HA 0.207 4.867 4.660 -0.000 0.000 0.260 191 W C 0.526 177.014 176.519 -0.053 0.000 1.312 191 W CA -0.262 57.045 57.345 -0.062 0.000 1.606 191 W CB -0.260 29.178 29.460 -0.037 0.000 1.118 191 W HN -0.108 nan 8.180 nan 0.000 0.675 192 L N 2.820 124.120 121.223 0.128 0.000 2.307 192 L HA 0.223 4.562 4.340 -0.000 0.000 0.282 192 L C -0.440 176.447 176.870 0.028 0.000 1.051 192 L CA -1.733 53.142 54.840 0.058 0.000 0.804 192 L CB 1.117 43.173 42.059 -0.005 0.000 1.197 192 L HN -0.378 nan 8.230 nan 0.000 0.431 193 P HA -0.085 nan 4.420 nan 0.000 0.214 193 P C 0.184 177.485 177.300 0.003 0.000 1.162 193 P CA 0.898 64.009 63.100 0.017 0.000 0.879 193 P CB 0.188 31.902 31.700 0.023 0.000 0.786 194 S N -0.901 114.801 115.700 0.002 0.000 2.532 194 S HA 0.435 4.905 4.470 -0.000 0.000 0.299 194 S C -0.219 174.371 174.600 -0.017 0.000 1.105 194 S CA -1.003 57.194 58.200 -0.004 0.000 1.018 194 S CB 2.241 65.446 63.200 0.009 0.000 1.021 194 S HN -0.102 nan 8.310 nan 0.000 0.483 195 R N 2.231 122.712 120.500 -0.033 0.000 2.351 195 R HA 0.268 4.608 4.340 -0.000 0.000 0.318 195 R C -2.312 173.970 176.300 -0.029 0.000 1.055 195 R CA -1.254 54.813 56.100 -0.055 0.000 0.968 195 R CB -0.137 30.126 30.300 -0.063 0.000 0.974 195 R HN 0.509 nan 8.270 nan 0.000 0.439 196 P HA 0.071 nan 4.420 nan 0.000 0.273 196 P C -1.865 175.429 177.300 -0.010 0.000 1.250 196 P CA -0.990 62.101 63.100 -0.014 0.000 0.793 196 P CB 0.318 32.004 31.700 -0.024 0.000 1.011 197 P HA -0.056 nan 4.420 nan 0.000 0.222 197 P C -0.195 177.105 177.300 -0.001 0.000 1.147 197 P CA 1.443 64.541 63.100 -0.002 0.000 0.790 197 P CB 0.304 31.998 31.700 -0.011 0.000 0.780 198 L N -0.058 121.161 121.223 -0.006 0.000 2.372 198 L HA 0.388 4.728 4.340 -0.000 0.000 0.273 198 L C -0.713 176.262 176.870 0.176 0.000 0.989 198 L CA -0.852 54.018 54.840 0.050 0.000 0.841 198 L CB 2.704 44.768 42.059 0.008 0.000 1.225 198 L HN -0.390 nan 8.230 nan 0.000 0.414 199 V N 2.456 122.490 119.914 0.200 0.000 2.409 199 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 199 V C -0.665 175.646 176.094 0.363 0.000 1.020 199 V CA -0.577 61.835 62.300 0.188 0.000 0.848 199 V CB 1.467 33.259 31.823 -0.052 0.000 0.990 199 V HN 0.854 nan 8.190 nan 0.000 0.430 200 H N 1.458 120.658 119.070 0.216 0.000 2.851 200 H HA 0.681 5.237 4.556 -0.000 0.000 0.372 200 H C 0.327 175.759 175.328 0.174 0.000 1.158 200 H CA -0.500 55.687 56.048 0.232 0.000 1.159 200 H CB 1.688 31.523 29.762 0.122 0.000 1.757 200 H HN 0.597 nan 8.280 nan 0.000 0.546 201 C N 0.411 119.844 119.300 0.220 0.000 3.721 201 C HA 0.766 5.226 4.460 -0.000 0.000 0.562 201 C C 1.080 175.972 174.990 -0.164 0.000 1.399 201 C CA 0.222 59.125 59.018 -0.192 0.000 2.478 201 C CB -0.498 27.137 27.740 -0.174 0.000 3.668 201 C HN 0.981 nan 8.230 nan 0.000 0.565 202 A N 3.690 126.644 122.820 0.224 0.000 2.366 202 A HA 0.590 4.910 4.320 -0.000 0.000 0.272 202 A C 0.274 178.035 177.584 0.295 0.000 1.135 202 A CA 0.002 52.237 52.037 0.330 0.000 0.804 202 A CB 0.179 19.421 19.000 0.403 0.000 1.064 202 A HN 0.791 nan 8.150 nan 0.000 0.499 203 N N 1.782 120.658 118.700 0.293 0.000 2.495 203 N HA 0.239 4.979 4.740 -0.000 0.000 0.294 203 N C 0.942 176.640 175.510 0.313 0.000 1.276 203 N CA -0.049 53.188 53.050 0.311 0.000 0.973 203 N CB -0.406 38.271 38.487 0.317 0.000 1.143 203 N HN 0.298 nan 8.380 nan 0.000 0.589 204 S N -0.443 115.439 115.700 0.302 0.000 2.351 204 S HA -0.175 4.295 4.470 -0.000 0.000 0.220 204 S C 1.979 176.723 174.600 0.239 0.000 1.035 204 S CA 1.728 60.130 58.200 0.336 0.000 1.031 204 S CB -1.052 62.214 63.200 0.108 0.000 0.928 204 S HN 0.743 nan 8.310 nan 0.000 0.433 205 A N 1.770 124.676 122.820 0.144 0.000 1.896 205 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 205 A C 2.356 179.942 177.584 0.004 0.000 1.206 205 A CA 2.289 54.355 52.037 0.047 0.000 0.647 205 A CB -1.306 17.711 19.000 0.029 0.000 0.828 205 A HN 0.610 nan 8.150 nan 0.000 0.455 206 A N -1.062 121.828 122.820 0.117 0.000 2.066 206 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 206 A C 2.382 180.137 177.584 0.285 0.000 1.157 206 A CA 1.969 54.151 52.037 0.241 0.000 0.670 206 A CB -0.628 18.653 19.000 0.468 0.000 0.804 206 A HN 0.881 nan 8.150 nan 0.000 0.453 207 S N -0.784 115.050 115.700 0.223 0.000 2.446 207 S HA 0.090 4.560 4.470 -0.000 0.000 0.225 207 S C 1.640 176.284 174.600 0.073 0.000 1.016 207 S CA 0.790 59.095 58.200 0.176 0.000 0.943 207 S CB -0.309 63.000 63.200 0.182 0.000 0.786 207 S HN 0.449 nan 8.310 nan 0.000 0.508 208 L N 0.122 121.366 121.223 0.035 0.000 2.477 208 L HA 0.336 4.676 4.340 -0.000 0.000 0.220 208 L C 2.911 179.687 176.870 -0.156 0.000 1.106 208 L CA 0.097 54.907 54.840 -0.051 0.000 0.851 208 L CB -0.112 41.909 42.059 -0.062 0.000 0.994 208 L HN 0.189 nan 8.230 nan 0.000 0.462 209 R N -0.158 120.187 120.500 -0.259 0.000 2.105 209 R HA 0.124 4.464 4.340 -0.000 0.000 0.214 209 R C 0.004 175.876 176.300 -0.713 0.000 1.091 209 R CA 0.808 56.527 56.100 -0.634 0.000 1.007 209 R CB 0.373 30.026 30.300 -1.079 0.000 0.912 209 R HN 0.163 nan 8.270 nan 0.000 0.450 210 F N 1.135 121.098 119.950 0.021 0.000 2.564 210 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 210 F C -1.682 174.143 175.800 0.042 0.000 1.458 210 F CA -2.171 55.849 58.000 0.032 0.000 1.117 210 F CB 1.239 40.286 39.000 0.078 0.000 1.383 210 F HN -0.088 nan 8.300 nan 0.000 0.571 211 P HA -0.199 nan 4.420 nan 0.000 0.222 211 P C 0.451 177.797 177.300 0.076 0.000 1.142 211 P CA 1.707 64.864 63.100 0.095 0.000 0.788 211 P CB 0.132 31.858 31.700 0.043 0.000 0.767 212 D N -0.777 119.662 120.400 0.066 0.000 2.277 212 D HA -0.052 4.588 4.640 -0.000 0.000 0.209 212 D C 1.390 177.661 176.300 -0.049 0.000 0.970 212 D CA 0.227 54.235 54.000 0.014 0.000 0.874 212 D CB -0.570 40.236 40.800 0.010 0.000 0.982 212 D HN 0.044 nan 8.370 nan 0.000 0.504 213 R N 0.250 120.740 120.500 -0.016 0.000 3.782 213 R HA 0.259 4.599 4.340 -0.000 0.000 0.291 213 R C 0.150 176.488 176.300 0.063 0.000 1.539 213 R CA 0.282 56.323 56.100 -0.099 0.000 1.345 213 R CB 0.126 30.282 30.300 -0.241 0.000 1.408 213 R HN 0.344 nan 8.270 nan 0.000 0.654 214 T N -3.784 110.767 114.554 -0.006 0.000 3.058 214 T HA 0.224 4.574 4.350 -0.000 0.000 0.278 214 T C 0.573 175.474 174.700 0.335 0.000 0.974 214 T CA -0.389 61.863 62.100 0.253 0.000 0.893 214 T CB -0.086 68.932 68.868 0.251 0.000 1.138 214 T HN 0.158 nan 8.240 nan 0.000 0.529 215 F N 2.948 123.045 119.950 0.245 0.000 2.184 215 F HA -0.321 4.206 4.527 -0.000 0.000 0.318 215 F C 1.347 177.247 175.800 0.166 0.000 0.994 215 F CA 1.718 59.833 58.000 0.192 0.000 0.913 215 F CB -1.221 37.903 39.000 0.207 0.000 4.133 215 F HN 0.454 nan 8.300 nan 0.000 0.138 216 N N 0.980 119.911 118.700 0.386 0.000 2.234 216 N HA 0.369 5.109 4.740 -0.000 0.000 0.227 216 N C -0.345 175.319 175.510 0.257 0.000 1.151 216 N CA 0.310 53.521 53.050 0.269 0.000 0.865 216 N CB 1.523 40.150 38.487 0.233 0.000 1.066 216 N HN 0.638 nan 8.380 nan 0.000 0.515 217 M N 1.199 120.944 119.600 0.242 0.000 2.294 217 M HA 0.259 4.739 4.480 -0.000 0.000 0.280 217 M C -2.333 174.077 176.300 0.185 0.000 1.085 217 M CA -0.486 54.907 55.300 0.155 0.000 0.969 217 M CB 2.494 35.084 32.600 -0.017 0.000 1.770 217 M HN -0.238 nan 8.290 nan 0.000 0.485 218 V N 5.059 125.053 119.914 0.133 0.000 2.435 218 V HA 0.578 4.698 4.120 -0.000 0.000 0.290 218 V C -0.294 175.882 176.094 0.137 0.000 1.030 218 V CA -0.569 61.823 62.300 0.154 0.000 0.881 218 V CB 1.924 33.802 31.823 0.091 0.000 0.983 218 V HN 0.799 nan 8.190 nan 0.000 0.445 219 R N 4.131 124.747 120.500 0.194 0.000 2.254 219 R HA 0.430 4.770 4.340 -0.000 0.000 0.318 219 R C -1.232 175.244 176.300 0.294 0.000 1.031 219 R CA -0.385 55.821 56.100 0.176 0.000 0.905 219 R CB 1.209 31.614 30.300 0.175 0.000 1.050 219 R HN 0.532 nan 8.270 nan 0.000 0.456 220 F N 2.248 122.216 119.950 0.030 0.000 2.445 220 F HA 0.471 4.998 4.527 -0.000 0.000 0.348 220 F C 0.233 176.019 175.800 -0.022 0.000 1.125 220 F CA -0.710 57.299 58.000 0.014 0.000 0.983 220 F CB 1.365 40.350 39.000 -0.025 0.000 1.198 220 F HN 0.602 nan 8.300 nan 0.000 0.436 221 G N 4.744 113.410 108.800 -0.222 0.000 2.583 221 G HA2 0.015 3.975 3.960 -0.000 0.000 0.214 221 G HA3 0.015 3.975 3.960 -0.000 0.000 0.214 221 G C 1.012 175.732 174.900 -0.300 0.000 2.072 221 G CA 0.303 45.279 45.100 -0.207 0.000 0.745 221 G HN 0.572 nan 8.290 nan 0.000 0.762 222 I N 1.993 122.578 120.570 0.025 0.000 2.194 222 I HA -0.145 4.025 4.170 -0.000 0.000 0.246 222 I C 2.826 178.839 176.117 -0.173 0.000 1.093 222 I CA 1.981 63.300 61.300 0.032 0.000 1.355 222 I CB -0.189 37.646 38.000 -0.275 0.000 1.046 222 I HN 0.233 nan 8.210 nan 0.000 0.413 223 A N -0.241 122.337 122.820 -0.402 0.000 2.067 223 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 223 A C 2.375 179.644 177.584 -0.525 0.000 1.158 223 A CA 1.677 53.475 52.037 -0.398 0.000 0.661 223 A CB -0.839 18.015 19.000 -0.243 0.000 0.801 223 A HN 0.643 nan 8.150 nan 0.000 0.452 224 M N -1.596 117.411 119.600 -0.989 0.000 2.175 224 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 224 M C 1.225 177.134 176.300 -0.651 0.000 1.063 224 M CA 1.695 56.514 55.300 -0.800 0.000 1.119 224 M CB -0.227 31.728 32.600 -1.074 0.000 1.377 224 M HN 0.418 nan 8.290 nan 0.000 0.415 225 Y N 0.320 120.408 120.300 -0.352 0.000 2.529 225 Y HA 0.311 4.861 4.550 -0.000 0.000 0.290 225 Y C 1.632 177.463 175.900 -0.116 0.000 1.177 225 Y CA 0.538 58.448 58.100 -0.317 0.000 1.305 225 Y CB -0.428 37.777 38.460 -0.424 0.000 1.047 225 Y HN 0.505 nan 8.280 nan 0.000 0.522 226 G N 0.375 109.163 108.800 -0.020 0.000 2.132 226 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.228 226 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.228 226 G C -0.317 174.600 174.900 0.029 0.000 1.000 226 G CA -0.094 45.026 45.100 0.033 0.000 0.693 226 G HN 0.262 nan 8.290 nan 0.000 0.515 227 L N 0.309 121.528 121.223 -0.006 0.000 2.329 227 L HA 0.801 5.141 4.340 -0.000 0.000 0.279 227 L C 0.832 177.656 176.870 -0.077 0.000 1.014 227 L CA -0.734 54.085 54.840 -0.035 0.000 0.814 227 L CB 1.934 43.955 42.059 -0.063 0.000 1.257 227 L HN 0.274 nan 8.230 nan 0.000 0.424 228 A N 3.759 126.546 122.820 -0.054 0.000 2.388 228 A HA 0.439 4.759 4.320 -0.000 0.000 0.257 228 A C -1.790 175.768 177.584 -0.042 0.000 1.095 228 A CA -1.140 50.869 52.037 -0.047 0.000 0.791 228 A CB 0.235 19.219 19.000 -0.026 0.000 1.029 228 A HN 0.601 nan 8.150 nan 0.000 0.489 229 P HA -0.069 nan 4.420 nan 0.000 0.218 229 P C 0.289 177.680 177.300 0.152 0.000 1.148 229 P CA 1.964 65.126 63.100 0.104 0.000 0.822 229 P CB 0.135 31.895 31.700 0.099 0.000 0.784 230 S N -5.638 110.104 115.700 0.070 0.000 2.565 230 S HA 0.429 4.899 4.470 -0.000 0.000 0.269 230 S C -2.644 171.970 174.600 0.025 0.000 1.153 230 S CA -1.303 56.932 58.200 0.058 0.000 0.835 230 S CB 1.392 64.617 63.200 0.042 0.000 1.122 230 S HN -0.309 nan 8.310 nan 0.000 0.462 231 P HA 0.096 nan 4.420 nan 0.000 0.218 231 P C 1.679 178.979 177.300 0.000 0.000 1.149 231 P CA 1.681 64.788 63.100 0.011 0.000 0.817 231 P CB -0.345 31.364 31.700 0.014 0.000 0.785 232 G N -0.469 108.331 108.800 0.000 0.000 2.408 232 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.217 232 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.217 232 G C 1.455 176.342 174.900 -0.022 0.000 1.150 232 G CA 0.162 45.257 45.100 -0.008 0.000 0.776 232 G HN 0.268 nan 8.290 nan 0.000 0.542 233 I N 0.076 120.630 120.570 -0.027 0.000 3.291 233 I HA 0.007 4.177 4.170 -0.000 0.000 0.279 233 I C 2.337 178.420 176.117 -0.058 0.000 1.294 233 I CA 0.374 61.643 61.300 -0.052 0.000 1.428 233 I CB 0.012 37.979 38.000 -0.055 0.000 1.070 233 I HN 0.149 nan 8.210 nan 0.000 0.478 234 K N 1.294 121.670 120.400 -0.040 0.000 2.103 234 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 234 K C -0.946 175.627 176.600 -0.045 0.000 1.048 234 K CA 1.299 57.562 56.287 -0.040 0.000 0.930 234 K CB -0.974 31.514 32.500 -0.021 0.000 0.716 234 K HN 0.391 nan 8.250 nan 0.000 0.444 235 P HA 0.143 nan 4.420 nan 0.000 0.266 235 P C 0.239 177.507 177.300 -0.052 0.000 1.561 235 P CA 0.374 63.450 63.100 -0.039 0.000 1.089 235 P CB 0.229 31.914 31.700 -0.025 0.000 1.534 236 L N -1.482 119.696 121.223 -0.075 0.000 2.817 236 L HA 0.252 4.592 4.340 -0.000 0.000 0.248 236 L C 0.246 177.039 176.870 -0.129 0.000 1.133 236 L CA -0.334 54.447 54.840 -0.099 0.000 0.935 236 L CB 0.144 42.132 42.059 -0.118 0.000 1.266 236 L HN -0.077 nan 8.230 nan 0.000 0.535 237 L N 2.229 123.373 121.223 -0.131 0.000 2.349 237 L HA 0.225 4.565 4.340 -0.000 0.000 0.275 237 L C -0.656 176.117 176.870 -0.161 0.000 1.115 237 L CA -1.442 53.292 54.840 -0.178 0.000 0.820 237 L CB 0.143 42.081 42.059 -0.202 0.000 1.135 237 L HN -0.131 nan 8.230 nan 0.000 0.445 238 P HA -0.112 nan 4.420 nan 0.000 0.220 238 P C -0.601 176.743 177.300 0.072 0.000 1.148 238 P CA 1.285 64.360 63.100 -0.041 0.000 0.803 238 P CB 0.147 31.860 31.700 0.022 0.000 0.782 239 Y N -2.278 118.018 120.300 -0.007 0.000 2.609 239 Y HA 0.796 5.346 4.550 -0.000 0.000 0.342 239 Y C -2.897 173.011 175.900 0.013 0.000 1.058 239 Y CA -3.545 54.557 58.100 0.002 0.000 1.055 239 Y CB -0.580 37.882 38.460 0.003 0.000 1.292 239 Y HN -0.330 nan 8.280 nan 0.000 0.476 240 P HA 0.308 nan 4.420 nan 0.000 0.280 240 P C -0.971 176.461 177.300 0.219 0.000 1.244 240 P CA -0.136 63.045 63.100 0.134 0.000 0.784 240 P CB 1.538 33.304 31.700 0.110 0.000 0.913 241 L N 2.956 124.245 121.223 0.111 0.000 2.312 241 L HA 0.325 4.665 4.340 -0.000 0.000 0.281 241 L C 0.825 177.763 176.870 0.112 0.000 1.070 241 L CA -0.637 54.281 54.840 0.130 0.000 0.805 241 L CB 0.628 42.711 42.059 0.040 0.000 1.174 241 L HN 0.243 nan 8.230 nan 0.000 0.434 242 K N 2.012 122.484 120.400 0.120 0.000 2.156 242 K HA 0.250 4.570 4.320 -0.000 0.000 0.271 242 K C -0.487 176.174 176.600 0.101 0.000 0.995 242 K CA -0.442 55.904 56.287 0.098 0.000 0.890 242 K CB 1.348 33.905 32.500 0.096 0.000 1.073 242 K HN 0.375 nan 8.250 nan 0.000 0.454 243 E N 1.714 121.976 120.200 0.104 0.000 2.259 243 E HA 0.167 4.517 4.350 -0.000 0.000 0.281 243 E C 0.035 176.742 176.600 0.178 0.000 1.037 243 E CA -0.184 56.298 56.400 0.138 0.000 0.854 243 E CB 0.971 30.746 29.700 0.125 0.000 1.051 243 E HN 0.718 nan 8.360 nan 0.000 0.409 244 A N 5.272 128.250 122.820 0.263 0.000 2.030 244 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 244 A C 0.284 178.104 177.584 0.393 0.000 1.164 244 A CA 0.161 52.393 52.037 0.325 0.000 0.697 244 A CB 0.139 19.358 19.000 0.364 0.000 0.827 244 A HN 0.617 nan 8.150 nan 0.000 0.457 245 F N 1.360 121.444 119.950 0.223 0.000 2.420 245 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 245 F C 0.383 176.177 175.800 -0.010 0.000 1.113 245 F CA -0.203 57.823 58.000 0.044 0.000 1.059 245 F CB 1.471 40.385 39.000 -0.144 0.000 1.128 245 F HN 0.114 nan 8.300 nan 0.000 0.475 246 S N 5.930 121.486 115.700 -0.240 0.000 2.627 246 S HA 0.831 5.301 4.470 -0.000 0.000 0.283 246 S C -1.829 172.406 174.600 -0.609 0.000 1.127 246 S CA -0.862 57.196 58.200 -0.237 0.000 0.863 246 S CB 2.059 65.228 63.200 -0.052 0.000 1.121 246 S HN 0.763 nan 8.310 nan 0.000 0.479 247 L N 1.887 122.635 121.223 -0.792 0.000 2.436 247 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 247 L C -1.324 174.771 176.870 -1.292 0.000 0.974 247 L CA -0.076 54.247 54.840 -0.861 0.000 0.826 247 L CB 1.692 43.465 42.059 -0.477 0.000 1.291 247 L HN 0.972 nan 8.230 nan 0.000 0.406 248 H N 2.226 120.747 119.070 -0.915 0.000 2.894 248 H HA 0.791 5.347 4.556 -0.000 0.000 0.368 248 H C -1.117 173.572 175.328 -1.065 0.000 1.181 248 H CA -0.760 54.660 56.048 -1.046 0.000 1.146 248 H CB 2.297 31.214 29.762 -1.408 0.000 1.839 248 H HN 0.599 nan 8.280 nan 0.000 0.557 249 S N -0.072 115.282 115.700 -0.577 0.000 2.752 249 S HA 0.616 5.086 4.470 -0.000 0.000 0.284 249 S C -1.363 173.191 174.600 -0.076 0.000 1.189 249 S CA -0.791 57.234 58.200 -0.292 0.000 0.835 249 S CB 1.919 64.964 63.200 -0.259 0.000 1.192 249 S HN 0.612 nan 8.310 nan 0.000 0.506 250 R N 0.816 121.341 120.500 0.042 0.000 2.725 250 R HA 0.490 4.829 4.340 -0.000 0.000 0.277 250 R C -1.133 175.193 176.300 0.043 0.000 0.987 250 R CA -0.844 55.304 56.100 0.080 0.000 0.901 250 R CB 1.290 31.688 30.300 0.165 0.000 1.207 250 R HN 0.548 nan 8.270 nan 0.000 0.463 251 L N 2.494 123.737 121.223 0.033 0.000 2.499 251 L HA 0.026 4.366 4.340 -0.000 0.000 0.273 251 L C 1.458 178.362 176.870 0.056 0.000 1.195 251 L CA -0.018 54.841 54.840 0.033 0.000 0.882 251 L CB 0.735 42.808 42.059 0.024 0.000 1.133 251 L HN 0.619 nan 8.230 nan 0.000 0.483 252 V N -1.251 118.705 119.914 0.070 0.000 3.645 252 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 252 V C 0.018 176.199 176.094 0.145 0.000 1.356 252 V CA 0.091 62.440 62.300 0.082 0.000 1.051 252 V CB -0.030 31.828 31.823 0.058 0.000 0.828 252 V HN 0.849 nan 8.190 nan 0.000 0.441 253 H N -0.798 118.286 119.070 0.023 0.000 3.079 253 H HA 0.795 5.351 4.556 -0.000 0.000 0.356 253 H C -1.770 173.587 175.328 0.049 0.000 1.221 253 H CA -0.495 55.573 56.048 0.034 0.000 1.185 253 H CB 2.282 32.060 29.762 0.026 0.000 1.882 253 H HN -0.003 nan 8.280 nan 0.000 0.543 254 V N 4.686 124.512 119.914 -0.147 0.000 2.808 254 V HA 0.491 4.611 4.120 -0.000 0.000 0.308 254 V C -1.046 174.926 176.094 -0.204 0.000 1.099 254 V CA -0.845 61.404 62.300 -0.085 0.000 0.920 254 V CB 1.945 33.784 31.823 0.027 0.000 1.014 254 V HN 0.866 nan 8.190 nan 0.000 0.425 255 K N 2.483 122.851 120.400 -0.054 0.000 2.546 255 K HA 0.630 4.950 4.320 -0.000 0.000 0.264 255 K C -1.396 175.114 176.600 -0.149 0.000 0.937 255 K CA -1.081 55.145 56.287 -0.102 0.000 0.833 255 K CB 2.942 35.285 32.500 -0.262 0.000 1.378 255 K HN 0.472 nan 8.250 nan 0.000 0.432 256 K N 3.762 123.864 120.400 -0.497 0.000 2.248 256 K HA 0.291 4.611 4.320 -0.000 0.000 0.281 256 K C -0.834 175.495 176.600 -0.453 0.000 1.054 256 K CA -0.607 55.115 56.287 -0.942 0.000 0.903 256 K CB 0.681 32.324 32.500 -1.429 0.000 1.077 256 K HN 0.575 nan 8.250 nan 0.000 0.474 257 L N 4.130 125.154 121.223 -0.332 0.000 2.325 257 L HA 0.271 4.611 4.340 -0.000 0.000 0.279 257 L C 0.249 177.013 176.870 -0.176 0.000 1.054 257 L CA -0.933 53.799 54.840 -0.181 0.000 0.804 257 L CB 1.587 43.597 42.059 -0.081 0.000 1.200 257 L HN 0.635 nan 8.230 nan 0.000 0.436 258 Q N 2.397 122.120 119.800 -0.127 0.000 2.221 258 Q HA 0.424 4.764 4.340 -0.000 0.000 0.242 258 Q C -2.207 173.747 176.000 -0.078 0.000 0.940 258 Q CA -1.975 53.765 55.803 -0.105 0.000 0.896 258 Q CB 0.960 29.647 28.738 -0.086 0.000 1.226 258 Q HN 0.293 nan 8.270 nan 0.000 0.463 259 P HA 0.004 nan 4.420 nan 0.000 0.270 259 P C 0.516 177.779 177.300 -0.062 0.000 1.227 259 P CA 0.954 64.014 63.100 -0.066 0.000 0.788 259 P CB 0.338 32.005 31.700 -0.056 0.000 0.926 260 G N -0.506 108.251 108.800 -0.071 0.000 2.196 260 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.268 260 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.268 260 G C 0.029 174.895 174.900 -0.057 0.000 0.975 260 G CA 0.086 45.148 45.100 -0.063 0.000 0.648 260 G HN 0.590 nan 8.290 nan 0.000 0.538 261 E N 0.573 120.740 120.200 -0.056 0.000 2.259 261 E HA 0.441 4.791 4.350 -0.000 0.000 0.281 261 E C 0.227 176.814 176.600 -0.021 0.000 1.027 261 E CA -0.269 56.111 56.400 -0.034 0.000 0.838 261 E CB 0.823 30.505 29.700 -0.031 0.000 1.066 261 E HN 0.311 nan 8.360 nan 0.000 0.401 262 K N 1.248 121.648 120.400 -0.001 0.000 2.098 262 K HA 0.467 4.787 4.320 -0.000 0.000 0.258 262 K C -0.924 175.712 176.600 0.060 0.000 0.973 262 K CA -0.630 55.674 56.287 0.028 0.000 0.898 262 K CB 1.575 34.084 32.500 0.015 0.000 1.057 262 K HN 0.167 nan 8.250 nan 0.000 0.447 263 V N 1.829 121.812 119.914 0.115 0.000 2.577 263 V HA 0.342 4.462 4.120 -0.000 0.000 0.303 263 V C 0.047 176.170 176.094 0.048 0.000 1.042 263 V CA -0.592 61.763 62.300 0.093 0.000 0.872 263 V CB 1.156 33.072 31.823 0.155 0.000 0.998 263 V HN 1.045 nan 8.190 nan 0.000 0.423 264 S N 3.264 118.937 115.700 -0.045 0.000 3.569 264 S HA -0.200 4.270 4.470 -0.000 0.000 0.635 264 S C -0.477 174.031 174.600 -0.153 0.000 2.396 264 S CA 0.161 58.273 58.200 -0.146 0.000 2.612 264 S CB -0.714 62.449 63.200 -0.062 0.000 0.331 264 S HN 0.744 nan 8.310 nan 0.000 1.764 265 Y N 1.738 122.074 120.300 0.061 0.000 2.610 265 Y HA 0.373 4.923 4.550 -0.000 0.000 0.332 265 Y C 1.852 177.787 175.900 0.058 0.000 1.201 265 Y CA 1.118 59.254 58.100 0.060 0.000 1.465 265 Y CB -0.031 38.470 38.460 0.068 0.000 1.283 265 Y HN 1.414 nan 8.280 nan 0.000 0.563 266 G N 2.012 110.951 108.800 0.232 0.000 2.189 266 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.267 266 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.267 266 G C 0.803 175.764 174.900 0.101 0.000 0.975 266 G CA 0.331 45.518 45.100 0.145 0.000 0.644 266 G HN 1.861 nan 8.290 nan 0.000 0.537 267 A N -1.247 121.626 122.820 0.087 0.000 2.748 267 A HA -0.054 4.265 4.320 -0.000 0.000 0.297 267 A C 2.138 179.769 177.584 0.079 0.000 1.508 267 A CA 2.636 54.713 52.037 0.067 0.000 0.799 267 A CB -2.328 16.698 19.000 0.044 0.000 1.011 267 A HN 2.451 nan 8.150 nan 0.000 0.500 268 T N -3.736 110.883 114.554 0.108 0.000 3.160 268 T HA 0.280 4.630 4.350 -0.000 0.000 0.257 268 T C 0.239 175.037 174.700 0.164 0.000 1.147 268 T CA 1.149 63.320 62.100 0.118 0.000 1.064 268 T CB -0.211 68.734 68.868 0.130 0.000 0.949 268 T HN 1.207 nan 8.240 nan 0.000 0.526 269 Y N 1.376 121.696 120.300 0.034 0.000 2.376 269 Y HA 0.544 5.094 4.550 -0.000 0.000 0.340 269 Y C -0.912 174.997 175.900 0.015 0.000 0.965 269 Y CA -0.943 57.175 58.100 0.030 0.000 1.078 269 Y CB 2.010 40.483 38.460 0.022 0.000 1.193 269 Y HN -0.014 nan 8.280 nan 0.000 0.452 270 T N 5.646 119.828 114.554 -0.621 0.000 2.807 270 T HA 0.685 5.035 4.350 -0.000 0.000 0.279 270 T C -0.562 173.688 174.700 -0.749 0.000 0.993 270 T CA -0.561 61.258 62.100 -0.468 0.000 0.970 270 T CB 1.110 69.826 68.868 -0.254 0.000 0.950 270 T HN 0.834 nan 8.240 nan 0.000 0.441 271 A N 2.525 125.118 122.820 -0.379 0.000 2.409 271 A HA 0.374 4.694 4.320 -0.000 0.000 0.262 271 A C 1.010 178.490 177.584 -0.173 0.000 1.113 271 A CA -0.192 51.715 52.037 -0.218 0.000 0.790 271 A CB 0.455 19.426 19.000 -0.048 0.000 1.046 271 A HN 0.808 nan 8.150 nan 0.000 0.496 272 Q N 0.582 120.305 119.800 -0.129 0.000 2.394 272 Q HA 0.123 4.463 4.340 -0.000 0.000 0.218 272 Q C 0.851 176.823 176.000 -0.046 0.000 0.907 272 Q CA 1.662 57.414 55.803 -0.085 0.000 0.919 272 Q CB 0.505 29.200 28.738 -0.072 0.000 1.051 272 Q HN 0.921 nan 8.270 nan 0.000 0.538 273 T N -2.097 112.441 114.554 -0.026 0.000 2.735 273 T HA 0.419 4.769 4.350 -0.000 0.000 0.262 273 T C -0.542 174.134 174.700 -0.040 0.000 0.955 273 T CA -0.885 61.204 62.100 -0.019 0.000 1.022 273 T CB 0.703 69.576 68.868 0.007 0.000 1.455 273 T HN -0.148 nan 8.240 nan 0.000 0.583 274 E N 1.244 121.415 120.200 -0.048 0.000 2.001 274 E HA 0.260 4.610 4.350 -0.000 0.000 0.279 274 E C -0.810 175.723 176.600 -0.111 0.000 1.045 274 E CA -0.076 56.257 56.400 -0.112 0.000 0.833 274 E CB 0.443 30.080 29.700 -0.104 0.000 1.077 274 E HN 0.409 nan 8.360 nan 0.000 0.397 275 E N 2.558 122.665 120.200 -0.154 0.000 2.212 275 E HA 0.275 4.624 4.350 -0.000 0.000 0.268 275 E C -1.204 175.266 176.600 -0.216 0.000 0.902 275 E CA -0.717 55.636 56.400 -0.079 0.000 0.779 275 E CB 1.391 31.113 29.700 0.037 0.000 1.172 275 E HN 0.315 nan 8.360 nan 0.000 0.409 276 W N 3.437 124.736 121.300 -0.001 0.000 2.361 276 W HA 0.351 5.011 4.660 0.000 0.000 0.309 276 W C -0.505 175.994 176.519 -0.033 0.000 1.122 276 W CA -0.495 56.835 57.345 -0.025 0.000 1.208 276 W CB 0.761 30.205 29.460 -0.027 0.000 1.246 276 W HN 0.197 nan 8.180 nan 0.000 0.490 277 I N 3.560 124.216 120.570 0.144 0.000 2.433 277 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 277 I C 0.533 176.673 176.117 0.037 0.000 1.001 277 I CA -0.694 60.638 61.300 0.053 0.000 1.119 277 I CB 0.991 38.992 38.000 0.002 0.000 1.289 277 I HN 0.521 nan 8.210 nan 0.000 0.438 278 G N 3.908 112.721 108.800 0.020 0.000 2.420 278 G HA2 0.636 4.596 3.960 -0.000 0.000 0.331 278 G HA3 0.636 4.596 3.960 -0.000 0.000 0.331 278 G C -0.806 174.101 174.900 0.012 0.000 1.168 278 G CA -0.268 44.841 45.100 0.016 0.000 0.936 278 G HN 0.483 nan 8.290 nan 0.000 0.479 279 T N 1.782 116.363 114.554 0.044 0.000 2.794 279 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 279 T C 0.299 175.014 174.700 0.025 0.000 0.987 279 T CA -0.164 61.962 62.100 0.042 0.000 0.993 279 T CB 0.994 69.916 68.868 0.091 0.000 0.939 279 T HN 0.593 nan 8.240 nan 0.000 0.449 280 I N 0.917 121.482 120.570 -0.009 0.000 2.530 280 I HA 0.609 4.779 4.170 -0.000 0.000 0.297 280 I C -2.586 173.508 176.117 -0.038 0.000 1.011 280 I CA -3.365 57.915 61.300 -0.034 0.000 1.107 280 I CB 2.561 40.508 38.000 -0.088 0.000 1.285 280 I HN 0.255 nan 8.210 nan 0.000 0.436 281 P HA 0.384 nan 4.420 nan 0.000 0.214 281 P C -0.666 176.597 177.300 -0.061 0.000 1.826 281 P CA 0.240 63.324 63.100 -0.027 0.000 0.977 281 P CB 0.170 31.876 31.700 0.010 0.000 1.930 282 I N -0.020 120.494 120.570 -0.093 0.000 2.802 282 I HA 0.775 4.945 4.170 -0.000 0.000 0.298 282 I C -0.636 175.453 176.117 -0.046 0.000 1.176 282 I CA -0.600 60.630 61.300 -0.117 0.000 1.025 282 I CB 2.458 40.302 38.000 -0.259 0.000 1.243 282 I HN 0.219 nan 8.210 nan 0.000 0.424 283 G N 3.546 112.348 108.800 0.003 0.000 2.706 283 G HA2 0.178 4.138 3.960 -0.000 0.000 0.307 283 G HA3 0.178 4.138 3.960 -0.000 0.000 0.307 283 G C -0.536 174.425 174.900 0.101 0.000 1.307 283 G CA -0.039 45.086 45.100 0.042 0.000 0.790 283 G HN 0.689 nan 8.290 nan 0.000 0.503 284 Y N -1.041 119.327 120.300 0.114 0.000 2.403 284 Y HA 0.270 4.820 4.550 -0.000 0.000 0.291 284 Y C 2.450 178.380 175.900 0.051 0.000 1.143 284 Y CA 1.425 59.568 58.100 0.072 0.000 1.257 284 Y CB -0.795 37.684 38.460 0.032 0.000 0.984 284 Y HN 0.401 nan 8.280 nan 0.000 0.550 285 A N 0.402 123.244 122.820 0.035 0.000 2.168 285 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 285 A C 1.439 179.027 177.584 0.006 0.000 1.152 285 A CA 1.215 53.293 52.037 0.069 0.000 0.716 285 A CB -0.525 18.471 19.000 -0.008 0.000 0.794 285 A HN 0.520 nan 8.150 nan 0.000 0.465 286 D N -1.047 119.358 120.400 0.008 0.000 2.339 286 D HA 0.227 4.867 4.640 -0.000 0.000 0.217 286 D C 1.327 177.668 176.300 0.067 0.000 1.050 286 D CA 0.975 54.965 54.000 -0.016 0.000 0.856 286 D CB 0.307 41.093 40.800 -0.022 0.000 0.922 286 D HN 0.548 nan 8.370 nan 0.000 0.518 287 G N 0.964 109.833 108.800 0.116 0.000 2.176 287 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 287 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 287 G C 0.011 175.012 174.900 0.168 0.000 0.979 287 G CA -0.197 44.974 45.100 0.118 0.000 0.641 287 G HN 0.402 nan 8.290 nan 0.000 0.530 288 W N 3.381 124.678 121.300 -0.005 0.000 2.085 288 W HA 0.569 5.229 4.660 -0.000 0.000 0.392 288 W C 0.435 176.974 176.519 0.033 0.000 0.862 288 W CA -0.829 56.503 57.345 -0.022 0.000 1.542 288 W CB -0.362 29.074 29.460 -0.040 0.000 1.672 288 W HN 0.081 nan 8.180 nan 0.000 0.309 289 L N 4.448 125.566 121.223 -0.175 0.000 2.499 289 L HA -0.049 4.291 4.340 -0.000 0.000 0.281 289 L C 1.962 178.753 176.870 -0.132 0.000 1.234 289 L CA 0.320 55.091 54.840 -0.115 0.000 0.839 289 L CB 0.293 42.257 42.059 -0.158 0.000 1.104 289 L HN 0.380 nan 8.230 nan 0.000 0.500 290 R N 0.958 121.428 120.500 -0.049 0.000 2.170 290 R HA -0.195 4.145 4.340 -0.000 0.000 0.242 290 R C 2.112 178.384 176.300 -0.046 0.000 1.145 290 R CA 1.494 57.582 56.100 -0.020 0.000 0.984 290 R CB -0.244 30.017 30.300 -0.065 0.000 0.869 290 R HN 0.489 nan 8.270 nan 0.000 0.455 291 R N 0.841 121.292 120.500 -0.080 0.000 2.285 291 R HA -0.072 4.268 4.340 -0.000 0.000 0.213 291 R C 1.232 177.548 176.300 0.026 0.000 1.068 291 R CA 0.733 56.812 56.100 -0.035 0.000 1.004 291 R CB -0.009 30.248 30.300 -0.072 0.000 0.873 291 R HN 0.172 nan 8.270 nan 0.000 0.467 292 L N 0.601 121.737 121.223 -0.146 0.000 2.627 292 L HA 0.032 4.372 4.340 -0.000 0.000 0.233 292 L C 2.225 179.035 176.870 -0.099 0.000 1.144 292 L CA 0.301 54.984 54.840 -0.262 0.000 0.892 292 L CB -0.177 41.414 42.059 -0.779 0.000 1.039 292 L HN 0.297 nan 8.230 nan 0.000 0.442 293 Q N 0.180 119.955 119.800 -0.042 0.000 2.197 293 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 293 Q C 0.988 176.786 176.000 -0.336 0.000 0.993 293 Q CA 1.923 57.629 55.803 -0.160 0.000 0.883 293 Q CB -0.003 28.616 28.738 -0.198 0.000 0.916 293 Q HN 0.608 nan 8.270 nan 0.000 0.418 294 H N -1.677 117.513 119.070 0.200 0.000 2.505 294 H HA 0.187 4.742 4.556 -0.000 0.000 0.289 294 H C -0.833 174.549 175.328 0.090 0.000 1.052 294 H CA -0.510 55.640 56.048 0.170 0.000 1.156 294 H CB 0.186 30.115 29.762 0.278 0.000 1.507 294 H HN 0.129 nan 8.280 nan 0.000 0.548 295 F N 0.951 120.750 119.950 -0.253 0.000 2.371 295 F HA 0.251 4.778 4.527 -0.000 0.000 0.329 295 F C 0.099 175.791 175.800 -0.181 0.000 1.107 295 F CA -0.770 57.053 58.000 -0.295 0.000 1.137 295 F CB 0.616 39.278 39.000 -0.563 0.000 1.214 295 F HN 0.119 nan 8.300 nan 0.000 0.536 296 H N 2.819 121.454 119.070 -0.725 0.000 2.517 296 H HA 0.486 5.042 4.556 -0.000 0.000 0.317 296 H C -0.289 174.811 175.328 -0.379 0.000 1.080 296 H CA -0.444 55.334 56.048 -0.450 0.000 1.301 296 H CB 1.067 30.583 29.762 -0.409 0.000 1.425 296 H HN 0.478 nan 8.280 nan 0.000 0.471 297 V N 1.623 121.486 119.914 -0.085 0.000 3.302 297 V HA 0.556 4.676 4.120 -0.000 0.000 0.316 297 V C -0.185 175.889 176.094 -0.035 0.000 1.111 297 V CA -1.149 61.142 62.300 -0.016 0.000 1.029 297 V CB 1.501 33.310 31.823 -0.023 0.000 1.170 297 V HN 0.528 nan 8.190 nan 0.000 0.452 298 L N 1.846 123.047 121.223 -0.036 0.000 2.322 298 L HA 0.771 5.111 4.340 -0.000 0.000 0.281 298 L C -0.902 175.951 176.870 -0.028 0.000 1.014 298 L CA -0.832 53.994 54.840 -0.024 0.000 0.815 298 L CB 1.849 43.900 42.059 -0.014 0.000 1.247 298 L HN 0.725 nan 8.230 nan 0.000 0.421 299 V N -0.859 119.043 119.914 -0.021 0.000 2.524 299 V HA 0.422 4.542 4.120 -0.000 0.000 0.297 299 V C -0.383 175.701 176.094 -0.016 0.000 1.035 299 V CA -0.733 61.554 62.300 -0.021 0.000 0.867 299 V CB 1.296 33.104 31.823 -0.026 0.000 1.004 299 V HN 0.857 nan 8.190 nan 0.000 0.426 300 D N 3.966 124.358 120.400 -0.014 0.000 2.705 300 D HA -0.050 4.590 4.640 -0.000 0.000 0.240 300 D C 1.387 177.680 176.300 -0.012 0.000 1.137 300 D CA 2.088 56.079 54.000 -0.015 0.000 0.677 300 D CB -1.113 39.672 40.800 -0.024 0.000 1.049 300 D HN 2.420 nan 8.370 nan 0.000 0.427 301 G N -0.262 108.533 108.800 -0.008 0.000 2.189 301 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 301 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 301 G C 0.291 175.187 174.900 -0.006 0.000 0.975 301 G CA 0.889 45.986 45.100 -0.006 0.000 0.644 301 G HN 0.685 nan 8.290 nan 0.000 0.537 302 Q N -0.388 119.409 119.800 -0.005 0.000 2.377 302 Q HA 0.631 4.971 4.340 -0.000 0.000 0.271 302 Q C -0.050 175.954 176.000 0.008 0.000 1.077 302 Q CA -0.750 55.053 55.803 0.000 0.000 0.820 302 Q CB 1.340 30.080 28.738 0.003 0.000 1.347 302 Q HN 0.341 nan 8.270 nan 0.000 0.444 303 K N 0.792 121.205 120.400 0.021 0.000 2.326 303 K HA 0.597 4.917 4.320 -0.000 0.000 0.275 303 K C -0.961 175.711 176.600 0.119 0.000 1.018 303 K CA -0.096 56.233 56.287 0.071 0.000 0.962 303 K CB 0.796 33.332 32.500 0.060 0.000 0.953 303 K HN 0.534 nan 8.250 nan 0.000 0.475 304 A N 4.165 127.023 122.820 0.062 0.000 2.408 304 A HA 0.468 4.788 4.320 -0.000 0.000 0.295 304 A C -2.685 174.750 177.584 -0.247 0.000 1.040 304 A CA -1.660 50.356 52.037 -0.035 0.000 0.707 304 A CB 1.134 20.112 19.000 -0.037 0.000 1.235 304 A HN 0.471 nan 8.150 nan 0.000 0.418 305 P HA 0.389 nan 4.420 nan 0.000 0.278 305 P C -0.567 176.562 177.300 -0.286 0.000 1.238 305 P CA -0.081 62.696 63.100 -0.537 0.000 0.794 305 P CB 0.863 32.289 31.700 -0.456 0.000 0.955 306 I N 2.340 122.769 120.570 -0.234 0.000 2.396 306 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 306 I C 0.505 176.484 176.117 -0.230 0.000 1.056 306 I CA -0.496 60.717 61.300 -0.146 0.000 1.365 306 I CB 1.060 39.048 38.000 -0.020 0.000 1.407 306 I HN 0.037 nan 8.210 nan 0.000 0.509 307 V N 6.079 125.818 119.914 -0.291 0.000 2.555 307 V HA 0.811 4.931 4.120 -0.000 0.000 0.302 307 V C 0.459 176.348 176.094 -0.342 0.000 1.038 307 V CA 0.176 62.176 62.300 -0.500 0.000 0.887 307 V CB 1.438 32.812 31.823 -0.748 0.000 0.991 307 V HN 1.082 nan 8.190 nan 0.000 0.434 308 G N 5.523 114.205 108.800 -0.197 0.000 2.829 308 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.628 308 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.628 308 G C -0.385 174.512 174.900 -0.004 0.000 1.412 308 G CA -0.533 44.560 45.100 -0.011 0.000 0.864 308 G HN 0.806 nan 8.290 nan 0.000 0.544 309 R N -0.874 119.667 120.500 0.068 0.000 2.594 309 R HA 0.384 4.724 4.340 -0.000 0.000 0.272 309 R C 0.799 177.181 176.300 0.137 0.000 1.074 309 R CA -0.217 55.951 56.100 0.114 0.000 1.105 309 R CB 0.416 30.840 30.300 0.206 0.000 1.008 309 R HN 0.449 nan 8.270 nan 0.000 0.472 310 I N 2.346 123.013 120.570 0.161 0.000 2.441 310 I HA 0.078 4.248 4.170 -0.000 0.000 0.287 310 I C 0.366 176.670 176.117 0.311 0.000 1.049 310 I CA -0.405 61.016 61.300 0.202 0.000 1.381 310 I CB 0.874 39.002 38.000 0.213 0.000 1.409 310 I HN 0.553 nan 8.210 nan 0.000 0.523 311 C N 5.041 124.467 119.300 0.209 0.000 2.352 311 C HA 0.223 4.683 4.460 -0.000 0.000 0.387 311 C C 1.964 176.736 174.990 -0.364 0.000 1.294 311 C CA -0.511 58.593 59.018 0.144 0.000 2.137 311 C CB 1.387 29.228 27.740 0.169 0.000 2.146 311 C HN 0.903 nan 8.230 nan 0.000 0.559 312 M N 0.921 120.136 119.600 -0.642 0.000 2.117 312 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 312 M C 0.679 176.695 176.300 -0.473 0.000 1.065 312 M CA 2.001 56.678 55.300 -1.037 0.000 1.114 312 M CB -0.080 32.204 32.600 -0.527 0.000 1.361 312 M HN 0.707 nan 8.290 nan 0.000 0.408 313 D N -1.279 118.987 120.400 -0.223 0.000 2.520 313 D HA 0.169 4.809 4.640 -0.000 0.000 0.223 313 D C -0.221 176.040 176.300 -0.064 0.000 1.186 313 D CA 0.130 54.061 54.000 -0.115 0.000 0.821 313 D CB 0.708 41.466 40.800 -0.070 0.000 1.072 313 D HN 0.430 nan 8.370 nan 0.000 0.518 314 Q N 0.172 119.944 119.800 -0.047 0.000 2.511 314 Q HA 0.609 4.949 4.340 -0.000 0.000 0.289 314 Q C -0.880 175.126 176.000 0.011 0.000 1.021 314 Q CA -0.882 54.911 55.803 -0.017 0.000 0.785 314 Q CB 3.177 31.910 28.738 -0.009 0.000 1.472 314 Q HN 0.269 nan 8.270 nan 0.000 0.411 315 C N -1.177 118.128 119.300 0.009 0.000 3.318 315 C HA 0.890 5.350 4.460 -0.000 0.000 0.322 315 C C -1.449 173.538 174.990 -0.005 0.000 1.398 315 C CA -0.795 58.238 59.018 0.026 0.000 1.339 315 C CB 0.976 28.767 27.740 0.086 0.000 1.668 315 C HN 0.823 nan 8.230 nan 0.000 0.462 316 M N 2.125 121.711 119.600 -0.024 0.000 2.598 316 M HA 0.837 5.317 4.480 -0.000 0.000 0.317 316 M C -0.278 175.970 176.300 -0.086 0.000 1.179 316 M CA -0.938 54.332 55.300 -0.051 0.000 0.936 316 M CB 1.614 34.175 32.600 -0.065 0.000 1.713 316 M HN 0.845 nan 8.290 nan 0.000 0.460 317 I N -1.579 118.941 120.570 -0.083 0.000 2.865 317 I HA 0.709 4.879 4.170 -0.000 0.000 0.302 317 I C -0.729 175.335 176.117 -0.088 0.000 1.140 317 I CA -1.107 60.132 61.300 -0.103 0.000 1.021 317 I CB 2.314 40.269 38.000 -0.076 0.000 1.233 317 I HN 0.658 nan 8.210 nan 0.000 0.427 318 R N 4.535 124.974 120.500 -0.101 0.000 2.198 318 R HA 0.587 4.927 4.340 -0.000 0.000 0.339 318 R C -1.165 175.138 176.300 0.004 0.000 1.020 318 R CA -0.540 55.538 56.100 -0.037 0.000 0.864 318 R CB 0.665 30.943 30.300 -0.037 0.000 1.105 318 R HN 0.724 nan 8.270 nan 0.000 0.463 319 L N 6.695 127.948 121.223 0.049 0.000 2.452 319 L HA 0.237 4.577 4.340 -0.000 0.000 0.267 319 L C -0.961 175.950 176.870 0.067 0.000 1.188 319 L CA -1.725 53.147 54.840 0.052 0.000 0.821 319 L CB 0.881 42.984 42.059 0.075 0.000 1.102 319 L HN 0.585 nan 8.230 nan 0.000 0.470 320 P HA -0.017 nan 4.420 nan 0.000 0.219 320 P C 0.480 177.796 177.300 0.027 0.000 1.150 320 P CA 0.860 63.977 63.100 0.028 0.000 0.814 320 P CB 0.464 32.165 31.700 0.000 0.000 0.787 321 G N -0.678 108.092 108.800 -0.049 0.000 2.570 321 G HA2 0.375 4.334 3.960 -0.000 0.000 0.310 321 G HA3 0.375 4.334 3.960 -0.000 0.000 0.310 321 G C -3.189 171.375 174.900 -0.559 0.000 1.266 321 G CA -0.702 44.274 45.100 -0.208 0.000 0.825 321 G HN -0.227 nan 8.290 nan 0.000 0.483 322 P HA 0.385 nan 4.420 nan 0.000 0.274 322 P C -0.452 176.526 177.300 -0.537 0.000 1.470 322 P CA -0.014 62.359 63.100 -1.212 0.000 1.001 322 P CB 0.625 31.218 31.700 -1.846 0.000 1.332 323 L N 6.034 127.062 121.223 -0.325 0.000 2.360 323 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 323 L C -1.652 175.140 176.870 -0.131 0.000 1.057 323 L CA -2.395 52.335 54.840 -0.183 0.000 0.803 323 L CB 1.301 43.292 42.059 -0.114 0.000 1.207 323 L HN 0.179 nan 8.230 nan 0.000 0.445 324 P HA 0.091 nan 4.420 nan 0.000 0.277 324 P C -0.519 176.770 177.300 -0.018 0.000 1.240 324 P CA -0.344 62.726 63.100 -0.051 0.000 0.798 324 P CB 1.215 32.890 31.700 -0.042 0.000 0.979 325 V N 2.131 122.048 119.914 0.005 0.000 2.599 325 V HA 0.280 4.400 4.120 -0.000 0.000 0.300 325 V C 1.658 177.767 176.094 0.025 0.000 1.034 325 V CA 2.167 64.486 62.300 0.031 0.000 1.115 325 V CB -0.198 31.657 31.823 0.054 0.000 0.934 325 V HN 1.098 nan 8.190 nan 0.000 0.485 326 G N 3.620 112.441 108.800 0.036 0.000 2.201 326 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.212 326 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.212 326 G C 0.303 175.230 174.900 0.044 0.000 0.994 326 G CA -0.027 45.098 45.100 0.042 0.000 0.644 326 G HN 0.737 nan 8.290 nan 0.000 0.508 327 T N 1.770 116.340 114.554 0.026 0.000 2.888 327 T HA 0.364 4.714 4.350 -0.000 0.000 0.301 327 T C 0.521 175.243 174.700 0.036 0.000 1.001 327 T CA 0.540 62.652 62.100 0.020 0.000 1.147 327 T CB 1.449 70.313 68.868 -0.006 0.000 0.931 327 T HN 0.480 nan 8.240 nan 0.000 0.541 328 K N 2.947 123.377 120.400 0.049 0.000 2.368 328 K HA 0.319 4.639 4.320 -0.000 0.000 0.282 328 K C -0.973 175.632 176.600 0.008 0.000 1.035 328 K CA -0.417 55.907 56.287 0.062 0.000 0.973 328 K CB 0.380 32.936 32.500 0.093 0.000 0.957 328 K HN 0.322 nan 8.250 nan 0.000 0.474 329 V N 3.867 123.761 119.914 -0.034 0.000 2.417 329 V HA 0.218 4.338 4.120 -0.000 0.000 0.291 329 V C -0.349 175.675 176.094 -0.117 0.000 1.024 329 V CA -0.765 61.489 62.300 -0.076 0.000 0.861 329 V CB 1.833 33.590 31.823 -0.111 0.000 0.985 329 V HN 0.828 nan 8.190 nan 0.000 0.436 330 T N 6.187 120.690 114.554 -0.085 0.000 2.756 330 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 330 T C 1.080 175.657 174.700 -0.205 0.000 0.985 330 T CA -0.376 61.644 62.100 -0.133 0.000 0.955 330 T CB 0.996 69.870 68.868 0.011 0.000 0.930 330 T HN 0.424 nan 8.240 nan 0.000 0.451 331 L N 2.908 123.912 121.223 -0.364 0.000 2.249 331 L HA 0.419 4.759 4.340 -0.000 0.000 0.207 331 L C 0.433 177.276 176.870 -0.046 0.000 1.090 331 L CA 0.888 55.548 54.840 -0.299 0.000 0.802 331 L CB -0.051 41.509 42.059 -0.833 0.000 0.947 331 L HN 0.518 nan 8.230 nan 0.000 0.453 332 I N -0.299 120.172 120.570 -0.164 0.000 2.512 332 I HA 0.623 4.793 4.170 -0.000 0.000 0.287 332 I C 0.088 176.134 176.117 -0.119 0.000 1.069 332 I CA -0.395 60.897 61.300 -0.014 0.000 1.056 332 I CB 1.959 40.005 38.000 0.077 0.000 1.229 332 I HN 0.129 nan 8.210 nan 0.000 0.429 333 G N 4.926 113.717 108.800 -0.014 0.000 2.320 333 G HA2 0.140 4.099 3.960 -0.000 0.000 0.274 333 G HA3 0.140 4.099 3.960 -0.000 0.000 0.274 333 G C -1.856 173.067 174.900 0.039 0.000 1.324 333 G CA -0.990 44.116 45.100 0.009 0.000 0.957 333 G HN 0.619 nan 8.290 nan 0.000 0.481 334 R N 0.033 120.568 120.500 0.058 0.000 2.562 334 R HA 0.718 5.058 4.340 -0.000 0.000 0.298 334 R C -0.958 175.364 176.300 0.037 0.000 0.961 334 R CA -0.532 55.592 56.100 0.039 0.000 0.881 334 R CB 1.582 31.898 30.300 0.028 0.000 1.159 334 R HN 0.519 nan 8.270 nan 0.000 0.450 335 Q N 2.822 122.635 119.800 0.021 0.000 2.414 335 Q HA 0.252 4.592 4.340 -0.000 0.000 0.256 335 Q C 0.094 176.097 176.000 0.005 0.000 0.974 335 Q CA 0.243 56.055 55.803 0.014 0.000 0.723 335 Q CB 1.925 30.670 28.738 0.012 0.000 1.281 335 Q HN 1.014 nan 8.270 nan 0.000 0.470 336 G N 3.575 112.376 108.800 0.002 0.000 3.434 336 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.343 336 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.343 336 G C 0.618 175.518 174.900 0.001 0.000 1.240 336 G CA 1.265 46.364 45.100 -0.001 0.000 0.996 336 G HN 0.674 nan 8.290 nan 0.000 0.650 337 D N 0.557 120.956 120.400 -0.000 0.000 2.277 337 D HA 0.206 4.846 4.640 -0.000 0.000 0.209 337 D C 0.826 177.126 176.300 -0.000 0.000 0.970 337 D CA 0.706 54.706 54.000 -0.001 0.000 0.874 337 D CB 0.148 40.946 40.800 -0.004 0.000 0.982 337 D HN 0.369 nan 8.370 nan 0.000 0.504 338 E N 0.265 120.464 120.200 -0.001 0.000 2.248 338 E HA 0.377 4.726 4.350 -0.000 0.000 0.272 338 E C -0.938 175.666 176.600 0.007 0.000 1.008 338 E CA -0.658 55.741 56.400 -0.001 0.000 0.856 338 E CB 2.426 32.121 29.700 -0.008 0.000 1.120 338 E HN -0.078 nan 8.360 nan 0.000 0.397 339 V N 2.874 122.795 119.914 0.011 0.000 2.841 339 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 339 V C -1.240 174.876 176.094 0.035 0.000 1.090 339 V CA -0.635 61.680 62.300 0.025 0.000 0.930 339 V CB 1.705 33.546 31.823 0.031 0.000 1.014 339 V HN 0.569 nan 8.190 nan 0.000 0.425 340 I N 5.906 126.510 120.570 0.058 0.000 2.436 340 I HA 0.577 4.747 4.170 -0.000 0.000 0.289 340 I C 0.201 176.389 176.117 0.119 0.000 1.010 340 I CA -0.161 61.203 61.300 0.107 0.000 1.098 340 I CB 2.287 40.382 38.000 0.158 0.000 1.266 340 I HN 0.842 nan 8.210 nan 0.000 0.434 341 S N 5.346 121.124 115.700 0.130 0.000 2.718 341 S HA 0.546 5.016 4.470 -0.000 0.000 0.300 341 S C 0.956 175.634 174.600 0.130 0.000 1.117 341 S CA -0.768 57.500 58.200 0.114 0.000 1.002 341 S CB 1.684 64.937 63.200 0.087 0.000 1.092 341 S HN 0.573 nan 8.310 nan 0.000 0.542 342 I N 0.672 121.302 120.570 0.101 0.000 2.361 342 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 342 I C 1.468 177.613 176.117 0.048 0.000 1.133 342 I CA 1.175 62.515 61.300 0.067 0.000 1.413 342 I CB -0.308 37.710 38.000 0.030 0.000 1.073 342 I HN 0.651 nan 8.210 nan 0.000 0.424 343 D N 0.737 121.171 120.400 0.057 0.000 2.218 343 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 343 D C 1.678 178.026 176.300 0.079 0.000 0.976 343 D CA 1.085 55.116 54.000 0.052 0.000 0.853 343 D CB -0.206 40.623 40.800 0.049 0.000 0.939 343 D HN 0.310 nan 8.370 nan 0.000 0.481 344 D N -0.423 120.052 120.400 0.126 0.000 2.123 344 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 344 D C 2.286 178.720 176.300 0.224 0.000 0.976 344 D CA 0.349 54.477 54.000 0.213 0.000 0.831 344 D CB -0.084 40.887 40.800 0.286 0.000 0.974 344 D HN 0.068 nan 8.370 nan 0.000 0.469 345 V N 1.423 121.389 119.914 0.086 0.000 2.358 345 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 345 V C 2.529 178.513 176.094 -0.183 0.000 1.047 345 V CA 1.693 63.846 62.300 -0.245 0.000 1.035 345 V CB -0.849 30.842 31.823 -0.219 0.000 0.658 345 V HN 0.159 nan 8.190 nan 0.000 0.452 346 A N 0.068 122.846 122.820 -0.069 0.000 1.933 346 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 346 A C 2.404 179.975 177.584 -0.022 0.000 1.175 346 A CA 2.087 54.092 52.037 -0.054 0.000 0.628 346 A CB -0.583 18.406 19.000 -0.018 0.000 0.814 346 A HN 0.489 nan 8.150 nan 0.000 0.444 347 R N -1.438 119.081 120.500 0.030 0.000 2.080 347 R HA -0.245 4.095 4.340 -0.000 0.000 0.236 347 R C 2.176 178.506 176.300 0.050 0.000 1.137 347 R CA 2.174 58.307 56.100 0.054 0.000 0.943 347 R CB -0.488 29.876 30.300 0.106 0.000 0.846 347 R HN 0.733 nan 8.270 nan 0.000 0.431 348 H N -0.358 118.703 119.070 -0.014 0.000 2.423 348 H HA 0.012 4.568 4.556 -0.000 0.000 0.297 348 H C 1.563 176.823 175.328 -0.113 0.000 1.075 348 H CA 1.519 57.550 56.048 -0.029 0.000 1.342 348 H CB 0.129 29.872 29.762 -0.033 0.000 1.395 348 H HN 0.171 nan 8.280 nan 0.000 0.530 349 L N 0.207 121.388 121.223 -0.070 0.000 2.591 349 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 349 L C 0.139 176.948 176.870 -0.102 0.000 1.133 349 L CA 0.371 55.139 54.840 -0.119 0.000 0.880 349 L CB 0.034 41.992 42.059 -0.168 0.000 1.033 349 L HN 0.316 nan 8.230 nan 0.000 0.450 350 E N 0.694 120.845 120.200 -0.083 0.000 2.320 350 E HA -0.185 4.165 4.350 -0.000 0.000 0.234 350 E C -0.071 176.494 176.600 -0.059 0.000 1.183 350 E CA 0.580 56.939 56.400 -0.068 0.000 0.713 350 E CB -1.597 28.057 29.700 -0.077 0.000 1.226 350 E HN 0.609 nan 8.360 nan 0.000 0.382 351 T N -2.026 112.497 114.554 -0.052 0.000 2.645 351 T HA 0.760 5.110 4.350 -0.000 0.000 0.273 351 T C 0.519 175.210 174.700 -0.016 0.000 0.960 351 T CA -0.929 61.145 62.100 -0.043 0.000 1.051 351 T CB 1.322 70.157 68.868 -0.055 0.000 1.366 351 T HN 0.291 nan 8.240 nan 0.000 0.536 352 I N 0.054 120.627 120.570 0.004 0.000 2.498 352 I HA 0.488 4.658 4.170 -0.000 0.000 0.301 352 I C 1.066 177.237 176.117 0.090 0.000 0.984 352 I CA -1.178 60.163 61.300 0.069 0.000 1.204 352 I CB 1.213 39.280 38.000 0.111 0.000 1.362 352 I HN 0.688 nan 8.210 nan 0.000 0.471 353 N N 3.447 122.204 118.700 0.096 0.000 2.184 353 N HA -0.310 4.430 4.740 -0.000 0.000 0.190 353 N C 1.260 176.773 175.510 0.005 0.000 1.011 353 N CA 1.804 54.865 53.050 0.020 0.000 0.867 353 N CB -1.062 37.409 38.487 -0.025 0.000 0.993 353 N HN 0.802 nan 8.380 nan 0.000 0.433 354 Y N 0.570 120.815 120.300 -0.091 0.000 2.241 354 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 354 Y C 2.587 178.364 175.900 -0.205 0.000 1.166 354 Y CA 1.590 59.591 58.100 -0.166 0.000 1.203 354 Y CB -0.401 37.951 38.460 -0.180 0.000 0.977 354 Y HN 0.304 nan 8.280 nan 0.000 0.529 355 E N -0.267 119.952 120.200 0.031 0.000 2.216 355 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 355 E C 2.057 178.600 176.600 -0.095 0.000 0.988 355 E CA 0.782 57.151 56.400 -0.053 0.000 0.834 355 E CB 0.038 29.706 29.700 -0.055 0.000 0.772 355 E HN 0.249 nan 8.360 nan 0.000 0.479 356 V N 2.191 122.041 119.914 -0.107 0.000 2.223 356 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 356 V C -0.721 175.242 176.094 -0.218 0.000 1.045 356 V CA 2.183 64.397 62.300 -0.142 0.000 1.000 356 V CB -1.540 30.208 31.823 -0.125 0.000 0.635 356 V HN 0.363 nan 8.190 nan 0.000 0.445 357 P HA -0.103 nan 4.420 nan 0.000 0.222 357 P C 1.754 178.835 177.300 -0.365 0.000 1.147 357 P CA 1.288 63.965 63.100 -0.706 0.000 0.790 357 P CB -0.273 30.683 31.700 -1.241 0.000 0.780 358 C N -0.312 118.854 119.300 -0.224 0.000 2.425 358 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 358 C C 2.724 177.686 174.990 -0.048 0.000 1.280 358 C CA 1.768 60.719 59.018 -0.113 0.000 1.744 358 C CB -1.899 25.770 27.740 -0.118 0.000 1.989 358 C HN 0.310 nan 8.230 nan 0.000 0.491 359 T N 0.605 115.130 114.554 -0.049 0.000 3.054 359 T HA 0.143 4.493 4.350 -0.000 0.000 0.259 359 T C 0.631 175.348 174.700 0.028 0.000 1.092 359 T CA 0.321 62.419 62.100 -0.004 0.000 1.121 359 T CB -0.135 68.719 68.868 -0.025 0.000 0.912 359 T HN 0.187 nan 8.240 nan 0.000 0.489 360 I N 4.306 124.893 120.570 0.029 0.000 2.769 360 I HA 0.039 4.208 4.170 -0.000 0.000 0.285 360 I C 1.239 177.392 176.117 0.059 0.000 1.173 360 I CA -0.101 61.250 61.300 0.084 0.000 1.389 360 I CB -1.030 37.085 38.000 0.193 0.000 1.404 360 I HN 0.243 nan 8.210 nan 0.000 0.544 361 S N 7.217 122.924 115.700 0.011 0.000 2.634 361 S HA 0.133 4.603 4.470 -0.000 0.000 0.261 361 S C 1.350 175.889 174.600 -0.101 0.000 1.271 361 S CA -0.360 57.822 58.200 -0.029 0.000 0.985 361 S CB 0.495 63.627 63.200 -0.113 0.000 0.968 361 S HN 0.559 nan 8.310 nan 0.000 0.568 362 Y N -0.358 119.977 120.300 0.058 0.000 2.365 362 Y HA -0.018 4.532 4.550 -0.000 0.000 0.287 362 Y C 2.305 178.231 175.900 0.043 0.000 1.162 362 Y CA 1.285 59.419 58.100 0.056 0.000 1.260 362 Y CB -0.625 37.870 38.460 0.059 0.000 0.976 362 Y HN 0.589 nan 8.280 nan 0.000 0.548 363 R N 0.606 120.587 120.500 -0.865 0.000 2.189 363 R HA 0.055 4.395 4.340 -0.000 0.000 0.223 363 R C -0.308 175.853 176.300 -0.231 0.000 1.092 363 R CA 0.597 56.368 56.100 -0.547 0.000 0.989 363 R CB -0.020 29.910 30.300 -0.616 0.000 0.876 363 R HN 0.224 nan 8.270 nan 0.000 0.457 364 V N 3.129 122.927 119.914 -0.194 0.000 2.364 364 V HA 0.232 4.351 4.120 -0.000 0.000 0.272 364 V C -2.165 173.833 176.094 -0.159 0.000 1.036 364 V CA -2.076 60.129 62.300 -0.159 0.000 0.880 364 V CB 1.281 33.024 31.823 -0.133 0.000 0.991 364 V HN 0.052 nan 8.190 nan 0.000 0.460 365 P HA 0.307 nan 4.420 nan 0.000 0.269 365 P C -0.588 176.547 177.300 -0.274 0.000 1.215 365 P CA -0.437 62.493 63.100 -0.284 0.000 0.780 365 P CB 0.573 31.899 31.700 -0.625 0.000 0.898 366 R N 1.976 122.328 120.500 -0.246 0.000 2.387 366 R HA 0.545 4.885 4.340 -0.000 0.000 0.314 366 R C -0.474 175.518 176.300 -0.514 0.000 0.958 366 R CA -0.375 55.471 56.100 -0.423 0.000 0.846 366 R CB 0.485 30.499 30.300 -0.477 0.000 1.147 366 R HN 0.456 nan 8.270 nan 0.000 0.447 367 I N 4.421 124.728 120.570 -0.437 0.000 2.378 367 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 367 I C -0.661 175.226 176.117 -0.382 0.000 0.992 367 I CA -0.659 60.475 61.300 -0.276 0.000 1.154 367 I CB 1.062 39.023 38.000 -0.066 0.000 1.315 367 I HN 0.370 nan 8.210 nan 0.000 0.448 368 F N 5.578 125.496 119.950 -0.054 0.000 2.450 368 F HA 0.518 5.045 4.527 -0.000 0.000 0.332 368 F C -0.327 175.395 175.800 -0.132 0.000 1.093 368 F CA -0.484 57.526 58.000 0.016 0.000 1.003 368 F CB 1.216 40.229 39.000 0.021 0.000 1.151 368 F HN 0.152 nan 8.300 nan 0.000 0.474 369 F N 1.905 121.985 119.950 0.217 0.000 2.507 369 F HA 0.720 5.247 4.527 -0.000 0.000 0.325 369 F C -0.199 175.652 175.800 0.086 0.000 1.116 369 F CA -0.849 57.224 58.000 0.123 0.000 0.930 369 F CB 2.148 41.197 39.000 0.081 0.000 1.146 369 F HN 0.294 nan 8.300 nan 0.000 0.447 370 R N 0.668 121.275 120.500 0.178 0.000 2.584 370 R HA 0.434 4.774 4.340 -0.000 0.000 0.276 370 R C -0.922 175.386 176.300 0.015 0.000 1.046 370 R CA -0.852 55.246 56.100 -0.003 0.000 0.906 370 R CB 0.526 30.793 30.300 -0.056 0.000 1.215 370 R HN 0.746 nan 8.270 nan 0.000 0.449 371 H N 3.858 122.957 119.070 0.047 0.000 2.776 371 H HA -0.190 4.366 4.556 -0.000 0.000 0.300 371 H C -0.398 174.966 175.328 0.059 0.000 1.161 371 H CA 1.218 57.278 56.048 0.020 0.000 1.147 371 H CB -0.588 29.167 29.762 -0.011 0.000 1.366 371 H HN 0.693 nan 8.280 nan 0.000 0.397 372 K N -2.158 118.344 120.400 0.169 0.000 3.274 372 K HA -0.227 4.093 4.320 -0.000 0.000 0.300 372 K C -0.026 176.727 176.600 0.255 0.000 1.230 372 K CA 1.525 57.921 56.287 0.182 0.000 0.884 372 K CB -1.009 31.559 32.500 0.114 0.000 1.242 372 K HN 0.594 nan 8.250 nan 0.000 0.467 373 R N -0.001 120.655 120.500 0.260 0.000 2.795 373 R HA 0.528 4.868 4.340 -0.000 0.000 0.275 373 R C 0.316 176.643 176.300 0.045 0.000 0.981 373 R CA -1.056 55.153 56.100 0.182 0.000 0.917 373 R CB 1.357 31.716 30.300 0.098 0.000 1.202 373 R HN -0.027 nan 8.270 nan 0.000 0.469 374 I N 2.830 123.297 120.570 -0.172 0.000 2.587 374 I HA -0.070 4.099 4.170 -0.000 0.000 0.284 374 I C 1.184 177.181 176.117 -0.200 0.000 1.134 374 I CA 0.550 61.564 61.300 -0.477 0.000 1.410 374 I CB 0.677 38.407 38.000 -0.450 0.000 1.392 374 I HN 0.638 nan 8.210 nan 0.000 0.545 375 M N 4.488 123.994 119.600 -0.157 0.000 2.398 375 M HA 0.136 4.616 4.480 -0.000 0.000 0.261 375 M C 0.646 176.937 176.300 -0.016 0.000 1.125 375 M CA 1.249 56.525 55.300 -0.040 0.000 1.183 375 M CB 0.654 33.262 32.600 0.014 0.000 1.322 375 M HN 0.599 nan 8.290 nan 0.000 0.467 376 E N -0.400 119.828 120.200 0.046 0.000 2.392 376 E HA 0.384 4.734 4.350 -0.000 0.000 0.279 376 E C -1.827 174.907 176.600 0.223 0.000 0.964 376 E CA -0.518 55.955 56.400 0.121 0.000 0.777 376 E CB 2.889 32.653 29.700 0.107 0.000 1.249 376 E HN -0.056 nan 8.360 nan 0.000 0.449 377 V N 3.125 123.138 119.914 0.166 0.000 2.448 377 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 377 V C -0.314 175.900 176.094 0.200 0.000 1.025 377 V CA -0.568 61.824 62.300 0.153 0.000 0.859 377 V CB 1.604 33.506 31.823 0.132 0.000 0.988 377 V HN 0.543 nan 8.190 nan 0.000 0.431 378 R N 4.458 125.091 120.500 0.221 0.000 2.310 378 R HA 0.386 4.726 4.340 -0.000 0.000 0.316 378 R C -0.443 175.923 176.300 0.110 0.000 1.004 378 R CA -0.235 55.997 56.100 0.220 0.000 0.900 378 R CB 0.556 31.088 30.300 0.388 0.000 1.152 378 R HN 0.854 nan 8.270 nan 0.000 0.513 379 N N 2.855 121.617 118.700 0.104 0.000 2.476 379 N HA 0.175 4.915 4.740 -0.000 0.000 0.257 379 N C 0.619 176.195 175.510 0.111 0.000 0.970 379 N CA -0.165 52.935 53.050 0.082 0.000 0.938 379 N CB 1.567 40.121 38.487 0.113 0.000 1.144 379 N HN 0.674 nan 8.380 nan 0.000 0.500 380 A N 4.292 127.186 122.820 0.124 0.000 2.019 380 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 380 A C 0.999 178.687 177.584 0.174 0.000 1.164 380 A CA 0.971 53.106 52.037 0.164 0.000 0.644 380 A CB -0.568 18.569 19.000 0.229 0.000 0.805 380 A HN 0.767 nan 8.150 nan 0.000 0.449 381 I N 0.000 120.678 120.570 0.180 0.000 2.984 381 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 381 I CA 0.000 61.403 61.300 0.172 0.000 1.566 381 I CB 0.000 38.133 38.000 0.221 0.000 1.214 381 I HN 0.000 nan 8.210 nan 0.000 0.494